data_nef_c30061_5j6z save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5J6Z stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 GLN middle . . 4 A 4 THR middle . . 5 A 5 THR middle . . 6 A 6 ALA middle . . 7 A 7 PRO middle . false 8 A 8 ASP middle . . 9 A 9 ALA middle . . 10 A 10 PRO middle . false 11 A 11 PRO middle . false 12 A 12 ASP middle . . 13 A 13 PRO middle . false 14 A 14 THR middle . . 15 A 15 VAL middle . . 16 A 16 ASP middle . . 17 A 17 GLN middle . . 18 A 18 VAL middle . . 19 A 19 ASP middle . . 20 A 20 ASP middle . . 21 A 21 THR middle . . 22 A 22 SER middle . . 23 A 23 ILE middle . . 24 A 24 VAL middle . . 25 A 25 VAL middle . . 26 A 26 ARG middle . . 27 A 27 TRP middle . . 28 A 28 SER middle . . 29 A 29 ARG middle . . 30 A 30 PRO end . false 31 B 31 MET start . . 32 B 32 ARG middle . . 33 B 33 GLY middle . false 34 B 34 SER middle . . 35 B 35 ASN middle . . 36 B 36 ALA middle . . 37 B 37 PRO middle . false 38 B 38 GLN middle . . 39 B 39 PRO middle . false 40 B 40 SER middle . . 41 B 41 HIS middle . . 42 B 42 ILE middle . . 43 B 43 SER middle . . 44 B 44 LYS middle . . 45 B 45 TYR middle . . 46 B 46 ILE middle . . 47 B 47 LEU middle . . 48 B 48 ARG middle . . 49 B 49 TRP middle . . 50 B 50 ARG middle . . 51 B 51 PRO middle . false 52 B 52 LYS middle . . 53 B 53 ASN middle . . 54 B 54 SER middle . . 55 B 55 VAL middle . . 56 B 56 GLY middle . false 57 B 57 ARG middle . . 58 B 58 TRP middle . . 59 B 59 LYS middle . . 60 B 60 GLU middle . . 61 B 61 ALA middle . . 62 B 62 THR middle . . 63 B 63 ILE middle . . 64 B 64 PRO middle . false 65 B 65 GLY middle . false 66 B 66 HIS middle . . 67 B 67 LEU middle . . 68 B 68 ASN middle . . 69 B 69 SER middle . . 70 B 70 TYR middle . . 71 B 71 THR middle . . 72 B 72 ILE middle . . 73 B 73 LYS middle . . 74 B 74 GLY middle . false 75 B 75 LEU middle . . 76 B 76 LYS middle . . 77 B 77 PRO middle . false 78 B 78 GLY middle . false 79 B 79 VAL middle . . 80 B 80 VAL middle . . 81 B 81 TYR middle . . 82 B 82 GLU middle . . 83 B 83 GLY middle . false 84 B 84 GLN middle . . 85 B 85 LEU middle . . 86 B 86 ILE middle . . 87 B 87 SER middle . . 88 B 88 ILE middle . . 89 B 89 GLN middle . . 90 B 90 GLN middle . . 91 B 91 TYR middle . . 92 B 92 GLY middle . false 93 B 93 HIS middle . . 94 B 94 GLN middle . . 95 B 95 GLU middle . . 96 B 96 VAL middle . . 97 B 97 THR middle . . 98 B 98 ARG middle . . 99 B 99 PHE middle . . 100 B 100 ASP middle . . 101 B 101 PHE middle . . 102 B 102 THR middle . . 103 B 103 THR middle . . 104 B 104 THR middle . . 105 B 105 SER middle . . 106 B 106 THR middle . . 107 B 107 SER middle . . 108 B 108 THR middle . . 109 B 109 PRO middle . false 110 B 110 GLY middle . false 111 B 111 SER middle . . 112 B 112 ARG middle . . 113 B 113 SER middle . . 114 B 114 HIS middle . . 115 B 115 HIS middle . . 116 B 116 HIS middle . . 117 B 117 HIS middle . . 118 B 118 HIS middle . . 119 B 119 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HA2 H 1 3.859 0.007 A 1 GLY HA3 H 1 3.859 0.007 A 1 GLY CA C 13 43.978 0.131 A 3 GLN HA H 1 4.462 0.005 A 3 GLN HBx H 1 2.032 0.002 A 3 GLN HBy H 1 2.158 0.004 A 3 GLN HE21 H 1 7.554 0.012 A 3 GLN HE22 H 1 6.861 0.012 A 3 GLN HG2 H 1 2.397 0.003 A 3 GLN HG3 H 1 2.397 0.003 A 3 GLN CA C 13 56.192 0.167 A 3 GLN CB C 13 29.676 0.181 A 3 GLN CG C 13 34.017 0.123 A 3 GLN NE2 N 15 112.545 0.001 A 4 THR H H 1 8.265 0.022 A 4 THR HA H 1 4.443 0.009 A 4 THR HB H 1 4.232 0.007 A 4 THR HG2% H 1 1.213 0.009 A 4 THR CA C 13 61.959 0.163 A 4 THR CB C 13 70.019 0.149 A 4 THR CG2 C 13 21.695 0.157 A 4 THR N N 15 115.692 0.013 A 5 THR H H 1 8.174 0.001 A 5 THR HA H 1 4.354 0.004 A 5 THR HB H 1 4.182 0.005 A 5 THR HG2% H 1 1.209 0.006 A 5 THR C C 13 173.821 0.000 A 5 THR CA C 13 61.758 0.161 A 5 THR CB C 13 70.119 0.166 A 5 THR CG2 C 13 21.832 0.144 A 5 THR N N 15 116.823 0.003 A 6 ALA H H 1 8.401 0.010 A 6 ALA HA H 1 4.325 0.002 A 6 ALA HB% H 1 1.524 0.001 A 6 ALA C C 13 175.562 0.000 A 6 ALA CA C 13 50.760 0.103 A 6 ALA CB C 13 18.459 0.137 A 6 ALA N N 15 128.171 0.041 A 7 PRO HA H 1 4.424 0.004 A 7 PRO HBx H 1 1.927 0.008 A 7 PRO HBy H 1 2.282 0.011 A 7 PRO HDx H 1 3.674 0.015 A 7 PRO HDy H 1 3.806 0.008 A 7 PRO HG2 H 1 2.014 0.006 A 7 PRO HG3 H 1 2.014 0.006 A 7 PRO C C 13 176.529 0.000 A 7 PRO CA C 13 63.402 0.095 A 7 PRO CB C 13 32.207 0.135 A 7 PRO CD C 13 50.559 0.116 A 7 PRO CG C 13 27.478 0.170 A 8 ASP H H 1 8.345 0.003 A 8 ASP HA H 1 4.561 0.005 A 8 ASP HB2 H 1 2.645 0.008 A 8 ASP HB3 H 1 2.645 0.008 A 8 ASP C C 13 175.430 0.006 A 8 ASP CA C 13 54.186 0.114 A 8 ASP CB C 13 41.180 0.125 A 8 ASP N N 15 119.770 0.047 A 9 ALA H H 1 8.134 0.020 A 9 ALA HA H 1 4.619 0.013 A 9 ALA HB% H 1 1.376 0.004 A 9 ALA C C 13 174.808 0.000 A 9 ALA CA C 13 50.702 0.040 A 9 ALA CB C 13 18.781 0.043 A 9 ALA N N 15 124.990 0.114 A 10 PRO HA H 1 4.494 0.005 A 10 PRO HBx H 1 1.733 0.004 A 10 PRO HBy H 1 2.214 0.002 A 10 PRO HDy H 1 3.809 0.004 A 10 PRO HDx H 1 3.648 0.009 A 10 PRO HG2 H 1 2.012 0.016 A 10 PRO HG3 H 1 2.012 0.016 A 10 PRO CA C 13 63.303 0.063 A 10 PRO CB C 13 32.589 0.039 A 10 PRO CD C 13 50.612 0.024 A 10 PRO CG C 13 27.807 0.000 A 11 PRO C C 13 175.278 0.000 A 11 PRO CA C 13 63.039 0.000 A 11 PRO CB C 13 32.158 0.000 A 11 PRO CD C 13 50.353 0.000 A 11 PRO CG C 13 27.391 0.000 A 12 ASP H H 1 7.946 0.002 A 12 ASP HA H 1 4.785 0.005 A 12 ASP HB2 H 1 2.540 0.027 A 12 ASP HB3 H 1 2.552 0.009 A 12 ASP C C 13 174.369 0.000 A 12 ASP CA C 13 52.276 0.022 A 12 ASP CB C 13 43.856 0.057 A 12 ASP N N 15 120.353 0.110 A 13 PRO HA H 1 4.848 0.006 A 13 PRO HBx H 1 0.947 0.015 A 13 PRO HBy H 1 1.585 0.004 A 13 PRO HDx H 1 3.532 0.028 A 13 PRO HDy H 1 3.614 0.028 A 13 PRO HGx H 1 1.349 0.010 A 13 PRO HGy H 1 1.416 0.020 A 13 PRO C C 13 176.393 0.000 A 13 PRO CA C 13 62.767 0.037 A 13 PRO CB C 13 32.212 0.046 A 13 PRO CD C 13 50.461 0.109 A 13 PRO CG C 13 27.494 0.055 A 14 THR H H 1 9.110 0.008 A 14 THR HA H 1 4.453 0.005 A 14 THR HB H 1 4.027 0.005 A 14 THR HG2% H 1 1.130 0.005 A 14 THR C C 13 172.825 0.000 A 14 THR CA C 13 61.193 0.051 A 14 THR CB C 13 71.507 0.067 A 14 THR CG2 C 13 21.590 0.111 A 14 THR N N 15 116.288 0.063 A 15 VAL H H 1 8.299 0.004 A 15 VAL HA H 1 4.839 0.011 A 15 VAL HB H 1 1.981 0.003 A 15 VAL HGx% H 1 0.876 0.018 A 15 VAL HGy% H 1 0.788 0.013 A 15 VAL C C 13 175.291 0.000 A 15 VAL CA C 13 61.164 0.175 A 15 VAL CB C 13 34.737 0.012 A 15 VAL CGx C 13 21.102 0.038 A 15 VAL CGy C 13 22.205 0.053 A 15 VAL N N 15 120.888 0.078 A 16 ASP H H 1 8.978 0.009 A 16 ASP HA H 1 5.001 0.009 A 16 ASP HBy H 1 2.529 0.008 A 16 ASP HBx H 1 2.373 0.009 A 16 ASP C C 13 175.100 0.000 A 16 ASP CA C 13 52.880 0.085 A 16 ASP CB C 13 43.652 0.033 A 16 ASP N N 15 126.501 0.069 A 17 GLN HA H 1 3.756 0.000 A 17 GLN HBy H 1 2.108 0.017 A 17 GLN HBx H 1 2.057 0.008 A 17 GLN HE21 H 1 7.149 0.004 A 17 GLN HE22 H 1 7.399 0.002 A 17 GLN HG2 H 1 2.342 0.010 A 17 GLN HG3 H 1 2.342 0.010 A 17 GLN CA C 13 57.775 0.000 A 17 GLN CB C 13 30.000 0.042 A 17 GLN CG C 13 36.501 0.058 A 17 GLN NE2 N 15 112.035 0.081 A 19 ASP HA H 1 4.651 0.007 A 19 ASP HBy H 1 3.151 0.008 A 19 ASP HBx H 1 2.900 0.003 A 19 ASP C C 13 175.566 0.000 A 19 ASP CA C 13 53.546 0.073 A 19 ASP CB C 13 40.923 0.074 A 20 ASP H H 1 8.445 0.009 A 20 ASP HA H 1 4.378 0.004 A 20 ASP HB2 H 1 2.729 0.002 A 20 ASP HB3 H 1 2.729 0.002 A 20 ASP C C 13 176.435 0.000 A 20 ASP CA C 13 57.200 0.072 A 20 ASP CB C 13 40.954 0.046 A 20 ASP N N 15 114.493 0.066 A 21 THR H H 1 8.280 0.019 A 21 THR HA H 1 4.667 0.013 A 21 THR HB H 1 4.668 0.016 A 21 THR HG2% H 1 1.152 0.012 A 21 THR C C 13 173.947 0.000 A 21 THR CA C 13 60.363 0.009 A 21 THR CB C 13 71.567 0.011 A 21 THR CG2 C 13 21.416 0.054 A 21 THR N N 15 104.718 0.108 A 22 SER H H 1 7.628 0.011 A 22 SER HA H 1 5.526 0.011 A 22 SER HBx H 1 3.512 0.005 A 22 SER HBy H 1 3.665 0.013 A 22 SER C C 13 172.932 0.000 A 22 SER CA C 13 57.506 0.063 A 22 SER CB C 13 66.640 0.019 A 22 SER N N 15 115.996 0.079 A 23 ILE HA H 1 4.821 0.005 A 23 ILE HB H 1 1.547 0.009 A 23 ILE HD1% H 1 0.077 0.006 A 23 ILE HG1x H 1 0.516 0.018 A 23 ILE HG1y H 1 1.007 0.016 A 23 ILE HG2% H 1 0.628 0.011 A 23 ILE C C 13 173.046 0.000 A 23 ILE CA C 13 59.139 0.010 A 23 ILE CB C 13 43.137 0.022 A 23 ILE CD1 C 13 15.202 0.032 A 23 ILE CG1 C 13 26.601 0.016 A 23 ILE CG2 C 13 19.254 0.012 A 24 VAL H H 1 8.822 0.017 A 24 VAL HA H 1 4.581 0.010 A 24 VAL HB H 1 1.772 0.006 A 24 VAL HGx% H 1 0.667 0.006 A 24 VAL HGy% H 1 0.746 0.009 A 24 VAL C C 13 174.822 0.000 A 24 VAL CA C 13 61.259 0.066 A 24 VAL CB C 13 34.422 0.013 A 24 VAL CGx C 13 21.151 0.014 A 24 VAL CGy C 13 21.691 0.025 A 24 VAL N N 15 121.870 0.088 A 25 VAL H H 1 8.777 0.007 A 25 VAL HA H 1 4.688 0.013 A 25 VAL HB H 1 1.990 0.011 A 25 VAL HGx% H 1 0.677 0.011 A 25 VAL HGy% H 1 0.826 0.008 A 25 VAL C C 13 174.113 0.000 A 25 VAL CA C 13 60.505 0.079 A 25 VAL CB C 13 33.601 0.033 A 25 VAL CGy C 13 22.259 0.009 A 25 VAL CGx C 13 21.808 0.031 A 25 VAL N N 15 128.033 0.086 A 26 ARG H H 1 8.770 0.008 A 26 ARG HA H 1 4.727 0.018 A 26 ARG HBx H 1 1.434 0.012 A 26 ARG HBy H 1 1.481 0.015 A 26 ARG HD2 H 1 2.919 0.003 A 26 ARG HD3 H 1 2.919 0.003 A 26 ARG HE H 1 7.543 0.023 A 26 ARG HG2 H 1 1.272 0.005 A 26 ARG HG3 H 1 1.272 0.004 A 26 ARG C C 13 174.825 0.000 A 26 ARG CA C 13 54.694 0.057 A 26 ARG CB C 13 33.700 0.028 A 26 ARG CD C 13 43.405 0.029 A 26 ARG CG C 13 28.255 0.010 A 26 ARG N N 15 124.498 0.072 A 26 ARG NE N 15 85.684 0.088 A 27 TRP H H 1 7.574 0.003 A 27 TRP HA H 1 5.015 0.007 A 27 TRP HBx H 1 2.788 0.009 A 27 TRP HBy H 1 3.031 0.009 A 27 TRP HD1 H 1 6.701 0.009 A 27 TRP HE1 H 1 7.383 0.008 A 27 TRP HE3 H 1 6.701 0.007 A 27 TRP HH2 H 1 6.478 0.012 A 27 TRP HZ2 H 1 6.462 0.012 A 27 TRP HZ3 H 1 6.479 0.013 A 27 TRP C C 13 174.417 0.000 A 27 TRP CA C 13 56.154 0.048 A 27 TRP CB C 13 30.290 0.023 A 27 TRP CD1 C 13 126.150 0.000 A 27 TRP CE3 C 13 120.541 0.000 A 27 TRP CH2 C 13 122.783 0.000 A 27 TRP CZ2 C 13 113.230 0.000 A 27 TRP CZ3 C 13 120.540 0.000 A 27 TRP N N 15 117.975 0.059 A 27 TRP NE1 N 15 126.797 0.095 A 28 SER H H 1 8.682 0.008 A 28 SER HA H 1 4.501 0.008 A 28 SER HB2 H 1 3.809 0.007 A 28 SER HB3 H 1 3.809 0.007 A 28 SER C C 13 174.033 0.000 A 28 SER CA C 13 58.195 0.110 A 28 SER CB C 13 64.375 0.039 A 28 SER N N 15 115.589 0.089 A 29 ARG H H 1 8.499 0.011 A 29 ARG HA H 1 4.728 0.018 A 29 ARG HBx H 1 1.755 0.008 A 29 ARG HBy H 1 1.948 0.011 A 29 ARG HD2 H 1 3.271 0.003 A 29 ARG HD3 H 1 3.271 0.003 A 29 ARG HG2 H 1 1.752 0.008 A 29 ARG HG3 H 1 1.756 0.002 A 29 ARG C C 13 173.516 0.000 A 29 ARG CA C 13 54.207 0.022 A 29 ARG CB C 13 30.723 0.027 A 29 ARG CD C 13 43.686 0.016 A 29 ARG CG C 13 27.467 0.019 A 29 ARG N N 15 124.017 0.073 A 30 PRO HA H 1 4.274 0.006 A 30 PRO HBy H 1 2.272 0.010 A 30 PRO HBx H 1 1.925 0.005 A 30 PRO HDx H 1 3.699 0.008 A 30 PRO HDy H 1 3.872 0.007 A 30 PRO HG2 H 1 2.030 0.014 A 30 PRO HG3 H 1 2.030 0.013 A 30 PRO CA C 13 65.110 0.078 A 30 PRO CB C 13 32.399 0.011 A 30 PRO CD C 13 50.663 0.031 A 30 PRO CG C 13 27.632 0.137 B 31 MET HA H 1 3.831 0.011 B 31 MET HB2 H 1 2.020 0.007 B 31 MET HB3 H 1 2.020 0.007 B 31 MET HE% H 1 2.092 0.000 B 31 MET HG2 H 1 2.578 0.018 B 31 MET HG3 H 1 2.578 0.018 B 31 MET CA C 13 55.896 0.140 B 31 MET CB C 13 34.968 0.145 B 31 MET CE C 13 16.924 0.000 B 31 MET CG C 13 31.533 0.043 B 35 ASN HA H 1 4.732 0.001 B 35 ASN HBx H 1 2.736 0.004 B 35 ASN HBy H 1 2.815 0.004 B 35 ASN HD21 H 1 7.576 0.000 B 35 ASN HD22 H 1 6.903 0.000 B 35 ASN CA C 13 53.421 0.000 B 35 ASN CB C 13 38.909 0.077 B 35 ASN ND2 N 15 113.041 0.004 B 36 ALA H H 1 8.151 0.041 B 36 ALA HA H 1 4.577 0.008 B 36 ALA HB% H 1 1.328 0.006 B 36 ALA CA C 13 50.746 0.102 B 36 ALA CB C 13 18.242 0.012 B 36 ALA N N 15 125.338 0.075 B 37 PRO HA H 1 4.411 0.006 B 37 PRO HBy H 1 2.244 0.016 B 37 PRO HBx H 1 1.844 0.008 B 37 PRO HDy H 1 3.766 0.011 B 37 PRO HDx H 1 3.615 0.012 B 37 PRO HG2 H 1 1.992 0.011 B 37 PRO HG3 H 1 1.992 0.011 B 37 PRO C C 13 176.715 0.000 B 37 PRO CA C 13 63.314 0.214 B 37 PRO CB C 13 32.133 0.031 B 37 PRO CD C 13 50.547 0.139 B 37 PRO CG C 13 27.446 0.010 B 38 GLN H H 1 8.430 0.003 B 38 GLN HA H 1 4.589 0.007 B 38 GLN HBx H 1 1.867 0.012 B 38 GLN HBy H 1 2.083 0.007 B 38 GLN HE21 H 1 6.871 0.003 B 38 GLN HE22 H 1 7.535 0.002 B 38 GLN HG2 H 1 2.391 0.005 B 38 GLN HG3 H 1 2.391 0.005 B 38 GLN C C 13 174.191 0.000 B 38 GLN CA C 13 53.678 0.115 B 38 GLN CB C 13 29.082 0.026 B 38 GLN CG C 13 33.564 0.040 B 38 GLN N N 15 121.602 0.018 B 38 GLN NE2 N 15 112.807 0.027 B 39 PRO HA H 1 4.419 0.020 B 39 PRO HBy H 1 2.286 0.012 B 39 PRO HBx H 1 1.934 0.006 B 39 PRO HDx H 1 3.668 0.023 B 39 PRO HDy H 1 3.762 0.017 B 39 PRO HG2 H 1 2.040 0.023 B 39 PRO HG3 H 1 2.040 0.023 B 39 PRO C C 13 176.707 0.000 B 39 PRO CA C 13 63.453 0.131 B 39 PRO CB C 13 32.192 0.121 B 39 PRO CD C 13 50.671 0.089 B 39 PRO CG C 13 27.475 0.065 B 40 SER H H 1 8.371 0.007 B 40 SER HA H 1 4.445 0.022 B 40 SER HB2 H 1 3.862 0.005 B 40 SER HB3 H 1 3.862 0.005 B 40 SER C C 13 174.267 0.000 B 40 SER CA C 13 58.045 0.179 B 40 SER CB C 13 63.970 0.011 B 40 SER N N 15 115.594 0.040 B 41 HIS HA H 1 4.594 0.018 B 41 HIS HB2 H 1 3.080 0.009 B 41 HIS HB3 H 1 3.084 0.012 B 41 HIS C C 13 174.845 0.000 B 41 HIS CA C 13 56.496 0.253 B 41 HIS CB C 13 31.034 0.143 B 42 ILE H H 1 8.168 0.011 B 42 ILE HA H 1 4.027 0.007 B 42 ILE HB H 1 1.770 0.008 B 42 ILE HD1% H 1 0.737 0.016 B 42 ILE HG1y H 1 1.374 0.007 B 42 ILE HG1x H 1 1.052 0.014 B 42 ILE HG2% H 1 0.257 0.007 B 42 ILE C C 13 175.944 0.000 B 42 ILE CA C 13 60.207 0.159 B 42 ILE CB C 13 37.807 0.049 B 42 ILE CD1 C 13 12.104 0.010 B 42 ILE CG1 C 13 27.632 0.090 B 42 ILE CG2 C 13 17.563 0.020 B 42 ILE N N 15 123.167 0.030 B 43 SER H H 1 8.825 0.008 B 43 SER HA H 1 4.380 0.007 B 43 SER HB2 H 1 3.689 0.005 B 43 SER HB3 H 1 3.690 0.007 B 43 SER C C 13 175.019 0.000 B 43 SER CA C 13 59.766 0.121 B 43 SER CB C 13 64.191 0.179 B 43 SER N N 15 122.407 0.018 B 44 LYS H H 1 7.589 0.006 B 44 LYS HA H 1 4.524 0.010 B 44 LYS HBy H 1 1.945 0.007 B 44 LYS HBx H 1 1.663 0.010 B 44 LYS HD2 H 1 1.495 0.005 B 44 LYS HD3 H 1 1.495 0.005 B 44 LYS HEx H 1 2.780 0.018 B 44 LYS HEy H 1 2.788 0.023 B 44 LYS HGx H 1 1.041 0.017 B 44 LYS HGy H 1 1.139 0.011 B 44 LYS C C 13 171.639 0.000 B 44 LYS CA C 13 55.415 0.072 B 44 LYS CB C 13 34.938 0.060 B 44 LYS CD C 13 29.630 0.028 B 44 LYS CE C 13 42.105 0.021 B 44 LYS CG C 13 23.320 0.031 B 44 LYS N N 15 117.463 0.023 B 45 TYR H H 1 9.167 0.007 B 45 TYR HA H 1 5.475 0.010 B 45 TYR HBy H 1 2.536 0.011 B 45 TYR HBx H 1 2.402 0.010 B 45 TYR HDx H 1 6.777 0.010 B 45 TYR HDy H 1 6.777 0.010 B 45 TYR HEx H 1 6.955 0.012 B 45 TYR HEy H 1 6.955 0.012 B 45 TYR C C 13 175.266 0.000 B 45 TYR CA C 13 56.181 0.129 B 45 TYR CB C 13 41.757 0.046 B 45 TYR CDx C 13 134.090 0.082 B 45 TYR CDy C 13 134.090 0.082 B 45 TYR CEx C 13 118.804 0.051 B 45 TYR CEy C 13 118.804 0.051 B 45 TYR N N 15 116.924 0.021 B 46 ILE H H 1 9.218 0.011 B 46 ILE HA H 1 4.826 0.026 B 46 ILE HB H 1 1.546 0.007 B 46 ILE HD1% H 1 0.666 0.014 B 46 ILE HG2% H 1 0.654 0.008 B 46 ILE C C 13 174.202 0.000 B 46 ILE CA C 13 60.222 0.084 B 46 ILE CB C 13 40.794 0.069 B 46 ILE CD1 C 13 13.572 0.037 B 46 ILE CG1 C 13 27.428 0.000 B 46 ILE CG2 C 13 17.375 0.099 B 46 ILE N N 15 121.113 0.014 B 47 LEU H H 1 8.953 0.005 B 47 LEU HA H 1 5.491 0.010 B 47 LEU HBx H 1 1.074 0.015 B 47 LEU HBy H 1 1.656 0.021 B 47 LEU HD1% H 1 1.001 0.013 B 47 LEU HD2% H 1 1.001 0.013 B 47 LEU HG H 1 0.847 0.004 B 47 LEU C C 13 175.161 0.000 B 47 LEU CA C 13 52.941 0.122 B 47 LEU CB C 13 46.040 0.053 B 47 LEU CD1 C 13 24.490 0.020 B 47 LEU CD2 C 13 24.490 0.020 B 47 LEU CG C 13 27.176 0.036 B 47 LEU N N 15 129.895 0.012 B 48 ARG H H 1 9.274 0.010 B 48 ARG HA H 1 6.054 0.007 B 48 ARG HBy H 1 1.714 0.009 B 48 ARG HBx H 1 1.252 0.009 B 48 ARG HDx H 1 2.293 0.006 B 48 ARG HDy H 1 2.474 0.005 B 48 ARG HE H 1 6.912 0.008 B 48 ARG HGy H 1 1.349 0.007 B 48 ARG HGx H 1 1.252 0.012 B 48 ARG C C 13 176.062 0.000 B 48 ARG CA C 13 53.752 0.061 B 48 ARG CB C 13 34.692 0.109 B 48 ARG CD C 13 43.372 0.049 B 48 ARG CG C 13 27.502 0.051 B 48 ARG N N 15 121.994 0.023 B 48 ARG NE N 15 83.232 0.000 B 49 TRP H H 1 9.041 0.008 B 49 TRP HA H 1 6.580 0.013 B 49 TRP HBy H 1 3.838 0.018 B 49 TRP HBx H 1 3.213 0.014 B 49 TRP HD1 H 1 6.741 0.010 B 49 TRP HE1 H 1 10.163 0.005 B 49 TRP HE3 H 1 6.986 0.033 B 49 TRP HH2 H 1 7.186 0.015 B 49 TRP HZ2 H 1 7.557 0.007 B 49 TRP HZ3 H 1 6.726 0.018 B 49 TRP C C 13 174.686 0.000 B 49 TRP CA C 13 57.963 0.060 B 49 TRP CB C 13 33.321 0.064 B 49 TRP CD1 C 13 125.245 0.118 B 49 TRP CE3 C 13 119.960 0.000 B 49 TRP CH2 C 13 124.199 0.110 B 49 TRP CZ2 C 13 115.253 0.086 B 49 TRP N N 15 119.740 0.012 B 49 TRP NE1 N 15 129.238 0.019 B 50 ARG H H 1 8.909 0.005 B 50 ARG HA H 1 5.143 0.009 B 50 ARG HBy H 1 1.444 0.010 B 50 ARG HBx H 1 1.290 0.011 B 50 ARG HDy H 1 3.426 0.010 B 50 ARG HDx H 1 3.000 0.004 B 50 ARG HE H 1 6.528 0.002 B 50 ARG C C 13 172.183 0.000 B 50 ARG CA C 13 54.507 0.000 B 50 ARG CB C 13 30.452 0.047 B 50 ARG CD C 13 43.161 0.000 B 50 ARG CG C 13 23.744 0.000 B 50 ARG N N 15 116.883 0.015 B 50 ARG NE N 15 87.185 0.017 B 51 PRO HD2 H 1 3.418 0.008 B 51 PRO HD3 H 1 3.418 0.008 B 51 PRO C C 13 176.565 0.000 B 51 PRO CA C 13 63.674 0.000 B 51 PRO CB C 13 31.219 0.000 B 51 PRO CD C 13 50.509 0.000 B 51 PRO CG C 13 28.111 0.000 B 52 LYS H H 1 9.124 0.012 B 52 LYS HA H 1 3.799 0.006 B 52 LYS HBy H 1 1.505 0.009 B 52 LYS HBx H 1 1.255 0.008 B 52 LYS HD2 H 1 1.500 0.004 B 52 LYS HD3 H 1 1.499 0.004 B 52 LYS HE2 H 1 2.879 0.010 B 52 LYS HE3 H 1 2.879 0.010 B 52 LYS HGy H 1 1.281 0.018 B 52 LYS HGx H 1 1.229 0.029 B 52 LYS C C 13 177.040 0.000 B 52 LYS CA C 13 58.260 0.125 B 52 LYS CB C 13 32.989 0.046 B 52 LYS CD C 13 29.642 0.022 B 52 LYS CE C 13 42.084 0.001 B 52 LYS CG C 13 25.461 0.129 B 52 LYS N N 15 126.941 0.020 B 53 ASN H H 1 8.711 0.008 B 53 ASN HA H 1 4.414 0.008 B 53 ASN HB2 H 1 2.907 0.010 B 53 ASN HB3 H 1 2.907 0.010 B 53 ASN HD21 H 1 7.554 0.013 B 53 ASN HD22 H 1 6.872 0.004 B 53 ASN C C 13 174.336 0.000 B 53 ASN CA C 13 54.380 0.126 B 53 ASN CB C 13 37.284 0.061 B 53 ASN N N 15 117.939 0.022 B 53 ASN ND2 N 15 112.846 0.013 B 54 SER H H 1 7.568 0.008 B 54 SER HA H 1 4.453 0.004 B 54 SER HBx H 1 3.548 0.005 B 54 SER HBy H 1 3.790 0.009 B 54 SER C C 13 174.290 0.000 B 54 SER CA C 13 57.672 0.071 B 54 SER CB C 13 65.014 0.141 B 54 SER N N 15 113.565 0.018 B 55 VAL H H 1 8.070 0.005 B 55 VAL HA H 1 4.353 0.013 B 55 VAL HB H 1 2.299 0.005 B 55 VAL HGx% H 1 0.835 0.010 B 55 VAL HGy% H 1 0.779 0.014 B 55 VAL C C 13 176.852 0.000 B 55 VAL CA C 13 61.108 0.117 B 55 VAL CB C 13 31.602 0.195 B 55 VAL CGy C 13 21.406 0.004 B 55 VAL CGx C 13 18.849 0.010 B 55 VAL N N 15 115.306 0.016 B 56 GLY H H 1 7.931 0.005 B 56 GLY HAx H 1 3.731 0.008 B 56 GLY HAy H 1 4.086 0.006 B 56 GLY C C 13 173.094 0.000 B 56 GLY CA C 13 44.385 0.139 B 56 GLY N N 15 110.594 0.009 B 57 ARG H H 1 8.160 0.013 B 57 ARG HA H 1 4.194 0.004 B 57 ARG HBy H 1 1.816 0.008 B 57 ARG HBx H 1 1.709 0.014 B 57 ARG HD2 H 1 3.204 0.005 B 57 ARG HD3 H 1 3.204 0.005 B 57 ARG HG2 H 1 1.684 0.010 B 57 ARG HG3 H 1 1.684 0.010 B 57 ARG C C 13 177.059 0.000 B 57 ARG CA C 13 56.261 0.102 B 57 ARG CB C 13 30.990 0.101 B 57 ARG CD C 13 43.401 0.014 B 57 ARG CG C 13 27.165 0.019 B 57 ARG N N 15 118.792 0.008 B 58 TRP H H 1 8.358 0.014 B 58 TRP HA H 1 4.157 0.012 B 58 TRP HBx H 1 2.802 0.006 B 58 TRP HBy H 1 3.006 0.010 B 58 TRP HD1 H 1 7.308 0.010 B 58 TRP HE1 H 1 10.049 0.008 B 58 TRP HE3 H 1 7.262 0.016 B 58 TRP HH2 H 1 6.951 0.008 B 58 TRP HZ2 H 1 7.309 0.005 B 58 TRP HZ3 H 1 6.940 0.012 B 58 TRP C C 13 177.901 0.000 B 58 TRP CA C 13 57.994 0.032 B 58 TRP CB C 13 29.368 0.069 B 58 TRP CD1 C 13 128.328 0.103 B 58 TRP CE3 C 13 119.864 0.072 B 58 TRP CH2 C 13 124.527 0.107 B 58 TRP CZ2 C 13 114.897 0.092 B 58 TRP CZ3 C 13 121.705 0.087 B 58 TRP N N 15 122.164 0.009 B 58 TRP NE1 N 15 130.487 0.019 B 59 LYS H H 1 8.406 0.011 B 59 LYS HA H 1 4.175 0.012 B 59 LYS HBx H 1 0.298 0.006 B 59 LYS HBy H 1 0.681 0.007 B 59 LYS HDx H 1 1.704 0.009 B 59 LYS HDy H 1 1.721 0.014 B 59 LYS HE2 H 1 3.113 0.005 B 59 LYS HE3 H 1 3.113 0.005 B 59 LYS HGx H 1 1.224 0.020 B 59 LYS HGy H 1 1.298 0.018 B 59 LYS C C 13 174.984 0.000 B 59 LYS CA C 13 56.055 0.119 B 59 LYS CB C 13 32.288 0.075 B 59 LYS CD C 13 29.023 0.051 B 59 LYS CE C 13 42.558 0.029 B 59 LYS CG C 13 25.807 0.091 B 59 LYS N N 15 124.612 0.017 B 60 GLU H H 1 7.809 0.005 B 60 GLU HA H 1 5.490 0.007 B 60 GLU HB2 H 1 1.724 0.007 B 60 GLU HB3 H 1 1.724 0.007 B 60 GLU HGy H 1 1.924 0.019 B 60 GLU HGx H 1 1.901 0.009 B 60 GLU C C 13 175.276 0.000 B 60 GLU CA C 13 54.654 0.127 B 60 GLU CB C 13 34.943 0.018 B 60 GLU CG C 13 36.972 0.022 B 60 GLU N N 15 117.080 0.015 B 61 ALA H H 1 9.318 0.011 B 61 ALA HA H 1 4.720 0.033 B 61 ALA HB% H 1 1.192 0.006 B 61 ALA C C 13 175.314 0.000 B 61 ALA CA C 13 51.530 0.155 B 61 ALA CB C 13 22.648 0.035 B 61 ALA N N 15 126.170 0.012 B 62 THR H H 1 8.468 0.005 B 62 THR HA H 1 4.977 0.010 B 62 THR HB H 1 3.982 0.005 B 62 THR HG2% H 1 1.128 0.003 B 62 THR C C 13 174.196 0.000 B 62 THR CA C 13 62.412 0.096 B 62 THR CB C 13 69.686 0.151 B 62 THR CG2 C 13 21.721 0.024 B 62 THR N N 15 116.804 0.024 B 63 ILE H H 1 9.609 0.007 B 63 ILE HA H 1 4.859 0.021 B 63 ILE HB H 1 1.946 0.007 B 63 ILE HD1% H 1 0.565 0.008 B 63 ILE HG1y H 1 1.367 0.010 B 63 ILE HG1x H 1 1.282 0.010 B 63 ILE HG2% H 1 1.345 0.004 B 63 ILE C C 13 173.001 0.000 B 63 ILE CA C 13 58.935 0.021 B 63 ILE CB C 13 42.498 0.068 B 63 ILE CD1 C 13 16.195 0.017 B 63 ILE CG1 C 13 30.184 0.044 B 63 ILE CG2 C 13 20.169 0.043 B 63 ILE N N 15 130.205 0.023 B 64 PRO HA H 1 4.594 0.007 B 64 PRO HBy H 1 2.635 0.009 B 64 PRO HBx H 1 2.027 0.016 B 64 PRO HD2 H 1 3.959 0.018 B 64 PRO HD3 H 1 3.959 0.018 B 64 PRO HG2 H 1 2.182 0.007 B 64 PRO HG3 H 1 2.182 0.007 B 64 PRO C C 13 177.478 0.000 B 64 PRO CA C 13 63.617 0.100 B 64 PRO CB C 13 33.423 0.074 B 64 PRO CD C 13 51.274 0.112 B 64 PRO CG C 13 27.774 0.045 B 65 GLY H H 1 7.743 0.006 B 65 GLY HAy H 1 3.891 0.010 B 65 GLY HAx H 1 3.715 0.014 B 65 GLY C C 13 173.170 0.000 B 65 GLY CA C 13 47.034 0.115 B 65 GLY N N 15 104.026 0.027 B 66 HIS H H 1 7.733 0.012 B 66 HIS HA H 1 4.869 0.011 B 66 HIS HBx H 1 2.929 0.005 B 66 HIS HBy H 1 3.417 0.005 B 66 HIS HD2 H 1 6.964 0.009 B 66 HIS HE1 H 1 7.548 0.000 B 66 HIS C C 13 175.105 0.000 B 66 HIS CA C 13 56.382 0.015 B 66 HIS CB C 13 30.218 0.065 B 66 HIS N N 15 114.317 0.027 B 67 LEU H H 1 7.661 0.008 B 67 LEU HA H 1 4.433 0.012 B 67 LEU HBy H 1 1.841 0.006 B 67 LEU HBx H 1 1.456 0.008 B 67 LEU HD1% H 1 0.785 0.014 B 67 LEU HD2% H 1 0.785 0.014 B 67 LEU HG H 1 0.946 0.004 B 67 LEU C C 13 176.021 0.000 B 67 LEU CA C 13 54.432 0.000 B 67 LEU CB C 13 43.276 0.031 B 67 LEU CD1 C 13 22.820 0.036 B 67 LEU CD2 C 13 22.820 0.036 B 67 LEU CG C 13 25.465 0.032 B 67 LEU N N 15 123.864 0.007 B 68 ASN H H 1 7.611 0.013 B 68 ASN HA H 1 3.648 0.009 B 68 ASN HBx H 1 2.177 0.009 B 68 ASN HBy H 1 2.304 0.010 B 68 ASN HD21 H 1 7.111 0.005 B 68 ASN HD22 H 1 6.529 0.015 B 68 ASN C C 13 172.363 0.000 B 68 ASN CA C 13 51.503 0.135 B 68 ASN CB C 13 38.860 0.073 B 68 ASN N N 15 113.603 0.016 B 68 ASN ND2 N 15 111.271 0.047 B 69 SER H H 1 6.492 0.009 B 69 SER HA H 1 4.590 0.010 B 69 SER HBy H 1 3.401 0.016 B 69 SER HBx H 1 3.380 0.011 B 69 SER C C 13 172.725 0.000 B 69 SER CA C 13 56.836 0.102 B 69 SER CB C 13 66.382 0.089 B 69 SER N N 15 108.989 0.013 B 70 TYR H H 1 8.690 0.007 B 70 TYR HA H 1 4.383 0.008 B 70 TYR HBy H 1 3.236 0.008 B 70 TYR HBx H 1 2.488 0.008 B 70 TYR HDx H 1 6.829 0.013 B 70 TYR HDy H 1 6.829 0.013 B 70 TYR HEx H 1 6.711 0.010 B 70 TYR HEy H 1 6.711 0.010 B 70 TYR C C 13 173.274 0.000 B 70 TYR CA C 13 59.432 0.142 B 70 TYR CB C 13 43.029 0.073 B 70 TYR CDx C 13 133.379 0.095 B 70 TYR CDy C 13 133.379 0.095 B 70 TYR CEx C 13 118.630 0.092 B 70 TYR CEy C 13 118.630 0.092 B 70 TYR N N 15 119.132 0.013 B 71 THR H H 1 7.280 0.007 B 71 THR HA H 1 4.725 0.022 B 71 THR HB H 1 3.621 0.007 B 71 THR HG2% H 1 0.785 0.009 B 71 THR C C 13 172.592 0.000 B 71 THR CA C 13 61.803 0.025 B 71 THR CB C 13 68.875 0.135 B 71 THR CG2 C 13 20.603 0.067 B 71 THR N N 15 124.062 0.019 B 72 ILE H H 1 8.616 0.009 B 72 ILE HA H 1 3.587 0.007 B 72 ILE HB H 1 1.053 0.012 B 72 ILE HD1% H 1 -0.202 0.014 B 72 ILE HG1x H 1 -0.223 0.012 B 72 ILE HG1y H 1 1.194 0.008 B 72 ILE HG2% H 1 -0.052 0.004 B 72 ILE C C 13 174.575 0.000 B 72 ILE CA C 13 62.117 0.154 B 72 ILE CB C 13 38.576 0.049 B 72 ILE CD1 C 13 13.348 0.035 B 72 ILE CG1 C 13 26.875 0.066 B 72 ILE CG2 C 13 17.434 0.035 B 72 ILE N N 15 128.396 0.012 B 73 LYS H H 1 7.946 0.005 B 73 LYS HA H 1 4.836 0.018 B 73 LYS HBx H 1 1.629 0.008 B 73 LYS HBy H 1 1.904 0.013 B 73 LYS HDy H 1 1.902 0.015 B 73 LYS HDx H 1 1.610 0.011 B 73 LYS HE2 H 1 2.863 0.005 B 73 LYS HE3 H 1 2.863 0.005 B 73 LYS HG2 H 1 1.239 0.008 B 73 LYS HG3 H 1 1.238 0.007 B 73 LYS C C 13 176.861 0.000 B 73 LYS CA C 13 54.535 0.054 B 73 LYS CB C 13 35.155 0.020 B 73 LYS CD C 13 29.275 0.055 B 73 LYS CE C 13 42.033 0.017 B 73 LYS CG C 13 25.528 0.041 B 73 LYS N N 15 125.295 0.022 B 74 GLY H H 1 8.790 0.005 B 74 GLY HAx H 1 3.902 0.006 B 74 GLY HAy H 1 4.044 0.008 B 74 GLY C C 13 175.526 0.000 B 74 GLY CA C 13 46.614 0.158 B 74 GLY N N 15 107.892 0.013 B 75 LEU H H 1 8.668 0.010 B 75 LEU HA H 1 4.380 0.008 B 75 LEU HB2 H 1 1.265 0.015 B 75 LEU HB3 H 1 1.265 0.015 B 75 LEU HD1% H 1 0.091 0.006 B 75 LEU HD2% H 1 0.091 0.006 B 75 LEU HG H 1 0.420 0.015 B 75 LEU C C 13 175.964 0.000 B 75 LEU CA C 13 53.915 0.146 B 75 LEU CB C 13 42.430 0.025 B 75 LEU CD1 C 13 20.166 0.067 B 75 LEU CD2 C 13 20.166 0.067 B 75 LEU CG C 13 27.108 0.009 B 75 LEU N N 15 120.816 0.018 B 76 LYS H H 1 8.311 0.004 B 76 LYS HA H 1 4.871 0.006 B 76 LYS HBy H 1 1.869 0.024 B 76 LYS HBx H 1 1.752 0.008 B 76 LYS HD2 H 1 1.703 0.003 B 76 LYS HD3 H 1 1.703 0.003 B 76 LYS HE2 H 1 3.024 0.003 B 76 LYS HE3 H 1 3.024 0.003 B 76 LYS HGy H 1 1.556 0.014 B 76 LYS HGx H 1 1.500 0.017 B 76 LYS C C 13 174.660 0.000 B 76 LYS CA C 13 53.094 0.000 B 76 LYS CB C 13 33.798 0.043 B 76 LYS CD C 13 29.272 0.108 B 76 LYS CE C 13 42.278 0.081 B 76 LYS CG C 13 24.846 0.023 B 76 LYS N N 15 120.495 0.029 B 78 GLY HAy H 1 4.078 0.009 B 78 GLY HAx H 1 3.745 0.007 B 78 GLY C C 13 173.833 0.000 B 78 GLY CA C 13 46.207 0.168 B 79 VAL H H 1 7.368 0.004 B 79 VAL HA H 1 3.972 0.004 B 79 VAL HB H 1 1.999 0.023 B 79 VAL HGx% H 1 0.776 0.009 B 79 VAL HGy% H 1 0.237 0.022 B 79 VAL C C 13 175.080 0.000 B 79 VAL CA C 13 62.049 0.126 B 79 VAL CB C 13 33.853 0.008 B 79 VAL CGy C 13 22.893 0.017 B 79 VAL CGx C 13 20.291 0.026 B 79 VAL N N 15 121.696 0.018 B 80 VAL HA H 1 4.219 0.007 B 80 VAL HB H 1 1.798 0.012 B 80 VAL HG1% H 1 0.889 0.025 B 80 VAL HG2% H 1 0.889 0.025 B 80 VAL C C 13 175.221 0.000 B 80 VAL CA C 13 62.321 0.163 B 80 VAL CB C 13 31.638 0.070 B 80 VAL CG1 C 13 21.174 0.084 B 80 VAL CG2 C 13 21.174 0.084 B 81 TYR H H 1 9.382 0.008 B 81 TYR HA H 1 4.397 0.010 B 81 TYR HBx H 1 0.824 0.013 B 81 TYR HBy H 1 1.848 0.011 B 81 TYR HDx H 1 6.990 0.009 B 81 TYR HDy H 1 6.990 0.009 B 81 TYR HEx H 1 6.789 0.039 B 81 TYR HEy H 1 6.789 0.039 B 81 TYR C C 13 174.482 0.000 B 81 TYR CA C 13 57.934 0.139 B 81 TYR CB C 13 40.359 0.059 B 81 TYR CDx C 13 133.044 0.130 B 81 TYR CDy C 13 133.044 0.130 B 81 TYR CEx C 13 119.865 0.000 B 81 TYR CEy C 13 119.865 0.000 B 81 TYR N N 15 128.886 0.017 B 82 GLU H H 1 8.922 0.007 B 82 GLU HA H 1 5.096 0.019 B 82 GLU HBx H 1 1.888 0.018 B 82 GLU HBy H 1 2.160 0.015 B 82 GLU HGy H 1 2.268 0.007 B 82 GLU HGx H 1 2.157 0.012 B 82 GLU C C 13 174.774 0.000 B 82 GLU CA C 13 54.263 0.086 B 82 GLU CB C 13 32.654 0.062 B 82 GLU CG C 13 36.132 0.033 B 82 GLU N N 15 117.634 0.040 B 83 GLY H H 1 9.070 0.011 B 83 GLY HAx H 1 2.643 0.011 B 83 GLY HAy H 1 5.805 0.014 B 83 GLY C C 13 174.194 0.000 B 83 GLY CA C 13 43.038 0.091 B 83 GLY N N 15 109.129 0.022 B 84 GLN H H 1 9.260 0.005 B 84 GLN HA H 1 5.138 0.016 B 84 GLN HB2 H 1 1.548 0.009 B 84 GLN HB3 H 1 1.548 0.009 B 84 GLN HE21 H 1 6.755 0.028 B 84 GLN HE22 H 1 6.487 0.006 B 84 GLN HG2 H 1 2.006 0.010 B 84 GLN HG3 H 1 2.006 0.010 B 84 GLN C C 13 173.916 0.000 B 84 GLN CA C 13 54.468 0.141 B 84 GLN CB C 13 32.612 0.031 B 84 GLN CG C 13 33.568 0.093 B 84 GLN N N 15 118.772 0.017 B 84 GLN NE2 N 15 110.164 0.031 B 85 LEU H H 1 9.127 0.005 B 85 LEU HA H 1 5.117 0.008 B 85 LEU HBy H 1 1.715 0.006 B 85 LEU HBx H 1 0.907 0.006 B 85 LEU HDx% H 1 -0.242 0.013 B 85 LEU HDy% H 1 -0.261 0.027 B 85 LEU HG H 1 -0.112 0.007 B 85 LEU C C 13 174.673 0.000 B 85 LEU CA C 13 53.860 0.059 B 85 LEU CB C 13 44.592 0.049 B 85 LEU CDy C 13 21.889 0.034 B 85 LEU CDx C 13 21.830 0.054 B 85 LEU CG C 13 25.887 0.052 B 85 LEU N N 15 124.432 0.009 B 86 ILE H H 1 9.821 0.024 B 86 ILE HA H 1 5.014 0.011 B 86 ILE HB H 1 1.890 0.011 B 86 ILE HD1% H 1 0.601 0.015 B 86 ILE HG1x H 1 0.885 0.013 B 86 ILE HG1y H 1 1.369 0.009 B 86 ILE HG2% H 1 0.650 0.006 B 86 ILE C C 13 175.958 0.000 B 86 ILE CA C 13 60.186 0.040 B 86 ILE CB C 13 39.640 0.058 B 86 ILE CD1 C 13 13.573 0.016 B 86 ILE CG1 C 13 28.068 0.075 B 86 ILE CG2 C 13 17.592 0.063 B 86 ILE N N 15 130.432 0.017 B 87 SER H H 1 9.115 0.004 B 87 SER HA H 1 4.603 0.016 B 87 SER HB2 H 1 3.701 0.010 B 87 SER HB3 H 1 3.702 0.011 B 87 SER C C 13 173.629 0.000 B 87 SER CA C 13 56.488 0.137 B 87 SER CB C 13 64.712 0.190 B 87 SER N N 15 121.654 0.039 B 88 ILE H H 1 8.164 0.006 B 88 ILE HA H 1 4.402 0.009 B 88 ILE HB H 1 1.792 0.008 B 88 ILE HD1% H 1 0.636 0.006 B 88 ILE HG1y H 1 1.245 0.012 B 88 ILE HG1x H 1 0.948 0.009 B 88 ILE HG2% H 1 0.803 0.009 B 88 ILE C C 13 175.577 0.000 B 88 ILE CA C 13 60.844 0.069 B 88 ILE CB C 13 37.581 0.115 B 88 ILE CD1 C 13 12.850 0.040 B 88 ILE CG1 C 13 27.614 0.057 B 88 ILE CG2 C 13 17.332 0.027 B 88 ILE N N 15 124.646 0.021 B 89 GLN H H 1 8.514 0.012 B 89 GLN HA H 1 4.754 0.016 B 89 GLN HBy H 1 2.363 0.028 B 89 GLN HBx H 1 1.950 0.011 B 89 GLN HE21 H 1 7.458 0.005 B 89 GLN HE22 H 1 6.887 0.014 B 89 GLN HGx H 1 2.281 0.011 B 89 GLN HGy H 1 2.417 0.018 B 89 GLN C C 13 177.078 0.000 B 89 GLN CA C 13 55.252 0.000 B 89 GLN CB C 13 30.250 0.075 B 89 GLN CG C 13 34.064 0.052 B 89 GLN N N 15 125.496 0.024 B 89 GLN NE2 N 15 111.449 0.033 B 90 GLN H H 1 8.475 0.011 B 90 GLN HA H 1 3.921 0.005 B 90 GLN HBx H 1 1.676 0.008 B 90 GLN HBy H 1 1.829 0.006 B 90 GLN HE21 H 1 6.761 0.011 B 90 GLN HE22 H 1 7.250 0.006 B 90 GLN HGx H 1 1.836 0.008 B 90 GLN HGy H 1 1.979 0.008 B 90 GLN C C 13 176.393 0.000 B 90 GLN CA C 13 58.395 0.074 B 90 GLN CB C 13 28.751 0.138 B 90 GLN CG C 13 33.026 0.122 B 90 GLN N N 15 120.841 0.017 B 90 GLN NE2 N 15 111.225 0.020 B 91 TYR H H 1 8.170 0.009 B 91 TYR HA H 1 4.585 0.010 B 91 TYR HBy H 1 3.312 0.005 B 91 TYR HBx H 1 3.064 0.020 B 91 TYR HDx H 1 7.131 0.006 B 91 TYR HDy H 1 7.131 0.006 B 91 TYR HEx H 1 6.813 0.006 B 91 TYR HEy H 1 6.813 0.006 B 91 TYR C C 13 176.485 0.000 B 91 TYR CA C 13 58.034 0.065 B 91 TYR CB C 13 36.683 0.030 B 91 TYR CDx C 13 133.263 0.079 B 91 TYR CDy C 13 133.263 0.079 B 91 TYR CEx C 13 118.533 0.085 B 91 TYR CEy C 13 118.533 0.085 B 91 TYR N N 15 115.614 0.052 B 92 GLY H H 1 7.974 0.007 B 92 GLY HAy H 1 4.248 0.012 B 92 GLY HAx H 1 3.564 0.009 B 92 GLY C C 13 174.218 0.000 B 92 GLY CA C 13 45.687 0.116 B 92 GLY N N 15 107.044 0.017 B 93 HIS H H 1 7.653 0.023 B 93 HIS HA H 1 4.461 0.008 B 93 HIS HBx H 1 2.961 0.021 B 93 HIS HBy H 1 3.062 0.018 B 93 HIS C C 13 174.269 0.000 B 93 HIS CA C 13 57.527 0.050 B 93 HIS CB C 13 31.240 0.189 B 93 HIS N N 15 120.306 0.068 B 94 GLN H H 1 7.990 0.036 B 94 GLN HA H 1 5.253 0.012 B 94 GLN HBy H 1 1.756 0.019 B 94 GLN HBx H 1 1.711 0.011 B 94 GLN HE21 H 1 7.201 0.007 B 94 GLN HE22 H 1 6.542 0.006 B 94 GLN HGy H 1 2.231 0.008 B 94 GLN HGx H 1 2.070 0.006 B 94 GLN C C 13 174.767 0.000 B 94 GLN CA C 13 54.381 0.069 B 94 GLN CB C 13 31.484 0.070 B 94 GLN CG C 13 33.473 0.059 B 94 GLN N N 15 123.232 0.118 B 94 GLN NE2 N 15 109.565 0.019 B 95 GLU H H 1 8.145 0.009 B 95 GLU HA H 1 4.620 0.014 B 95 GLU HBx H 1 1.849 0.008 B 95 GLU HBy H 1 2.051 0.005 B 95 GLU HG2 H 1 2.210 0.004 B 95 GLU HG3 H 1 2.210 0.004 B 95 GLU C C 13 174.647 0.000 B 95 GLU CA C 13 55.238 0.000 B 95 GLU CB C 13 32.334 0.000 B 95 GLU CG C 13 36.156 0.000 B 95 GLU N N 15 121.141 0.024 B 96 VAL H H 1 8.762 0.005 B 96 VAL HA H 1 4.697 0.026 B 96 VAL HB H 1 1.949 0.014 B 96 VAL HGx% H 1 0.798 0.015 B 96 VAL HGy% H 1 0.726 0.013 B 96 VAL C C 13 175.286 0.000 B 96 VAL CA C 13 61.872 0.123 B 96 VAL CB C 13 34.423 0.061 B 96 VAL CGy C 13 21.391 0.037 B 96 VAL CGx C 13 20.382 0.203 B 96 VAL N N 15 123.111 0.070 B 97 THR HA H 1 4.714 0.014 B 97 THR HB H 1 4.006 0.017 B 97 THR HG2% H 1 1.345 0.003 B 97 THR C C 13 173.446 0.000 B 97 THR CA C 13 62.042 0.032 B 97 THR CB C 13 70.851 0.000 B 97 THR CG2 C 13 22.548 0.042 B 98 ARG H H 1 8.909 0.009 B 98 ARG HA H 1 5.220 0.012 B 98 ARG HBy H 1 2.128 0.021 B 98 ARG HBx H 1 1.825 0.013 B 98 ARG HD2 H 1 3.272 0.005 B 98 ARG HD3 H 1 3.272 0.005 B 98 ARG HGx H 1 1.582 0.007 B 98 ARG HGy H 1 1.731 0.017 B 98 ARG C C 13 175.420 0.000 B 98 ARG CA C 13 55.713 0.118 B 98 ARG CB C 13 32.238 0.099 B 98 ARG CD C 13 43.341 0.047 B 98 ARG CG C 13 28.522 0.079 B 98 ARG N N 15 127.479 0.018 B 99 PHE H H 1 8.480 0.006 B 99 PHE HA H 1 4.998 0.006 B 99 PHE HBy H 1 3.259 0.009 B 99 PHE HBx H 1 3.142 0.007 B 99 PHE HDx H 1 6.997 0.006 B 99 PHE HDy H 1 6.997 0.006 B 99 PHE HEx H 1 6.831 0.012 B 99 PHE HEy H 1 6.831 0.012 B 99 PHE HZ H 1 6.853 0.033 B 99 PHE C C 13 171.601 0.000 B 99 PHE CA C 13 56.631 0.039 B 99 PHE CB C 13 40.186 0.037 B 99 PHE CDx C 13 133.073 0.081 B 99 PHE CDy C 13 133.073 0.081 B 99 PHE CEx C 13 130.365 0.112 B 99 PHE CEy C 13 130.365 0.112 B 99 PHE N N 15 119.756 0.014 B 100 ASP H H 1 8.606 0.005 B 100 ASP HA H 1 5.783 0.008 B 100 ASP HB2 H 1 2.618 0.007 B 100 ASP HB3 H 1 2.619 0.007 B 100 ASP C C 13 176.368 0.000 B 100 ASP CA C 13 52.931 0.081 B 100 ASP CB C 13 43.540 0.039 B 100 ASP N N 15 120.153 0.014 B 101 PHE H H 1 8.872 0.014 B 101 PHE HA H 1 5.183 0.010 B 101 PHE HBy H 1 3.417 0.008 B 101 PHE HBx H 1 3.044 0.009 B 101 PHE HDx H 1 6.720 0.008 B 101 PHE HDy H 1 6.720 0.008 B 101 PHE HEx H 1 6.654 0.004 B 101 PHE HEy H 1 6.654 0.004 B 101 PHE HZ H 1 6.565 0.007 B 101 PHE C C 13 172.330 0.000 B 101 PHE CA C 13 57.356 0.066 B 101 PHE CB C 13 41.773 0.099 B 101 PHE CDx C 13 133.053 0.128 B 101 PHE CDy C 13 133.053 0.128 B 101 PHE CEx C 13 130.653 0.061 B 101 PHE CEy C 13 130.653 0.061 B 101 PHE N N 15 114.145 0.033 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 29 ARG HA A 29 ARG HBx 1.0 1.723 3.301 2 2 A 29 ARG HA A 29 ARG HBy 1.0 1.720 3.288 3 3 A 29 ARG HA A 30 PRO HDx 1.0 1.558 2.680 4 4 A 26 ARG HA A 26 ARG H 1.0 1.851 3.961 5 5 A 27 TRP HA A 27 TRP HBy 1.0 1.704 3.216 6 6 A 27 TRP HA A 27 TRP HBx 1.0 1.745 3.397 7 7 A 27 TRP HA A 28 SER HA 1.0 1.999 5.847 8 8 A 27 TRP HA A 13 PRO HA 1.0 1.780 3.566 9 9 A 25 VAL HA A 15 VAL HA 1.0 1.647 2.993 10 10 A 25 VAL HA A 25 VAL HGy% 1.0 1.644 2.982 11 11 A 21 THR HA A 21 THR HG2% 1.0 1.572 2.726 12 12 A 24 VAL HA A 24 VAL HGy% 1.0 1.571 2.721 13 13 A 24 VAL HA A 24 VAL HB 1.0 1.851 3.965 14 14 A 23 ILE HA A 23 ILE HB 1.0 1.777 3.555 15 15 A 23 ILE HA A 24 VAL H 1.0 1.827 3.817 16 16 A 9 ALA HA A 9 ALA HB% 1.0 1.343 2.073 17 17 A 9 ALA HA A 9 ALA H 1.0 1.900 4.312 18 18 A 9 ALA HA B 95 GLU HBy 1.0 1.693 3.173 19 19 A 9 ALA HA A 10 PRO HDx 1.0 1.602 2.830 20 20 A 9 ALA HA A 10 PRO HDy 1.0 1.309 1.989 21 21 A 16 ASP HA A 16 ASP HBy 1.0 1.797 3.653 22 22 A 19 ASP HA A 19 ASP HBx 1.0 1.862 4.034 23 23 A 19 ASP HA A 19 ASP HBy 1.0 1.821 3.785 24 24 A 26 ARG HA A 27 TRP HE3 1.0 1.908 4.380 25 25 A 22 SER HA A 22 SER HBx 1.0 1.816 3.754 26 26 A 22 SER HA A 22 SER HBy 1.0 1.816 3.756 27 27 A 22 SER HA B 75 LEU HG 1.0 1.846 3.938 28 28 A 25 VAL HA A 25 VAL HB 1.0 1.591 2.793 29 29 A 25 VAL HA A 25 VAL HGx% 1.0 1.802 3.678 30 30 A 21 THR HA A 21 THR H 1.0 1.913 4.421 31 31 A 14 THR HA A 14 THR H 1.0 1.884 4.190 32 32 A 14 THR HA A 14 THR HB 1.0 1.752 3.430 33 33 A 14 THR HA A 14 THR HG2% 1.0 1.640 2.968 34 34 A 14 THR HA A 15 VAL HGy% 1.0 1.916 4.444 35 35 A 14 THR HA A 15 VAL H 1.0 1.613 2.865 36 36 A 15 VAL HA A 15 VAL HB 1.0 1.869 4.083 37 37 A 15 VAL HA A 14 THR H 1.0 1.999 6.187 38 38 A 13 PRO HA A 13 PRO HBy 1.0 1.834 3.860 39 39 A 27 TRP HBy A 13 PRO HA 1.0 1.971 5.067 40 40 A 27 TRP HBx A 13 PRO HA 1.0 1.994 6.442 41 41 A 10 PRO HA A 10 PRO HBy 1.0 1.888 4.220 42 42 A 10 PRO HA A 10 PRO HBx 1.0 1.618 2.888 43 43 A 10 PRO HDx A 10 PRO HA 1.0 1.977 5.167 44 44 A 10 PRO HDy A 10 PRO HA 1.0 1.886 4.204 45 45 A 30 PRO HA A 30 PRO HBy 1.0 1.716 3.272 46 46 A 30 PRO HA A 30 PRO HBx 1.0 1.692 3.170 47 47 A 30 PRO HA A 30 PRO HDy 1.0 2.000 5.940 48 48 A 30 PRO HDx A 30 PRO HA 1.0 1.938 4.652 49 49 A 22 SER HBx A 22 SER HBy 1.0 1.446 2.344 50 50 A 22 SER HBy B 71 THR HG2% 1.0 1.655 3.021 51 51 A 22 SER HBy B 73 LYS HA 1.0 1.895 4.277 52 52 A 22 SER HBx B 73 LYS HA 1.0 1.861 4.031 53 53 A 22 SER HBy A 21 THR H 1.0 1.986 6.670 54 54 A 22 SER HBx A 21 THR H 1.0 1.955 4.843 55 55 A 22 SER HBx B 71 THR HG2% 1.0 1.950 4.786 56 56 A 21 THR HB B 75 LEU H 1.0 1.872 4.108 57 57 A 15 VAL HA A 14 THR HB 1.0 1.936 4.638 58 58 A 23 ILE HG1x B 72 ILE HD1% 1.0 1.922 4.504 59 59 A 10 PRO HBx B 85 LEU HG 1.0 1.981 5.239 60 60 A 10 PRO HBy B 85 LEU HG 1.0 1.944 4.714 61 61 A 13 PRO HBy B 85 LEU HG 1.0 1.980 5.212 62 62 B 85 LEU HG A 13 PRO HBx 1.0 1.997 6.305 63 63 B 72 ILE HD1% A 23 ILE HG1y 1.0 1.972 5.090 64 64 B 85 LEU HG A 13 PRO HDy 1.0 1.987 6.643 65 65 B 72 ILE HD1% A 23 ILE HD1% 1.0 1.413 2.253 66 66 A 23 ILE HD1% A 23 ILE HG2% 1.0 1.524 2.572 67 67 A 15 VAL HGy% A 23 ILE HD1% 1.0 1.364 2.124 68 68 A 15 VAL HGy% B 72 ILE HD1% 1.0 1.862 4.034 69 69 A 25 VAL HGy% B 72 ILE HD1% 1.0 1.689 3.159 70 70 A 25 VAL HGx% A 23 ILE HD1% 1.0 1.547 2.645 71 71 A 30 PRO HBx A 30 PRO HDy 1.0 1.978 5.188 72 72 A 30 PRO HDx A 30 PRO HBx 1.0 1.992 5.508 73 73 A 30 PRO HDx A 30 PRO HBy 1.0 1.961 4.921 74 74 A 30 PRO HA A 30 PRO HG2 1.0 2.000 5.958 75 75 A 29 ARG HBx A 29 ARG HBy 1.0 1.351 2.093 76 76 A 29 ARG HBy A 30 PRO HDy 1.0 1.652 3.012 77 77 A 29 ARG HBx A 30 PRO HDy 1.0 1.984 6.732 78 78 A 29 ARG HBx A 30 PRO HDx 1.0 1.813 8.631 79 79 A 27 TRP HBx A 27 TRP HD1 1.0 1.989 5.421 80 80 A 27 TRP HBy A 27 TRP HE3 1.0 1.978 5.186 81 81 A 27 TRP HBy A 27 TRP HBx 1.0 1.683 3.133 82 82 A 26 ARG H A 26 ARG HBy 1.0 1.988 5.398 83 83 A 26 ARG HA A 26 ARG HBy 1.0 1.778 3.556 84 84 A 26 ARG HA A 26 ARG HBx 1.0 1.881 4.169 85 85 A 26 ARG HBy A 24 VAL HGx% 1.0 1.922 7.658 86 86 A 26 ARG HBx A 24 VAL HGx% 1.0 1.962 7.152 87 87 A 25 VAL HGy% A 27 TRP HE3 1.0 1.652 3.008 88 88 A 25 VAL HGy% A 27 TRP HZ3 1.0 1.734 3.348 89 89 A 25 VAL HGx% B 70 TYR HDx 1.0 1.818 3.772 90 89 A 25 VAL HGx% B 70 TYR HDy 1.0 1.818 3.772 91 90 A 25 VAL HGx% A 27 TRP HZ3 1.0 1.914 4.422 92 91 A 24 VAL HGx% B 71 THR HA 1.0 1.835 3.871 93 92 B 101 PHE HBy A 15 VAL HGx% 1.0 1.948 4.754 94 93 A 15 VAL HGx% B 101 PHE HBx 1.0 1.756 3.450 95 94 A 25 VAL HGy% B 70 TYR HBy 1.0 1.990 6.558 96 95 A 27 TRP HBy A 25 VAL HGy% 1.0 1.988 5.396 97 96 A 25 VAL HGy% B 70 TYR HBx 1.0 1.961 4.919 98 97 A 24 VAL HGy% A 16 ASP HBy 1.0 2.000 6.040 99 98 A 24 VAL HGy% A 16 ASP HBx 1.0 1.907 4.363 100 99 A 15 VAL HGy% B 101 PHE HBy 1.0 1.934 4.612 101 100 A 15 VAL HGy% B 101 PHE HBx 1.0 1.779 3.565 102 101 A 16 ASP HBy A 24 VAL HGx% 1.0 1.971 6.995 103 102 A 24 VAL HGx% A 16 ASP HBx 1.0 1.955 4.849 104 103 A 15 VAL HB A 15 VAL HGx% 1.0 1.474 2.422 105 104 A 25 VAL HB A 25 VAL HGx% 1.0 1.481 2.445 106 105 A 25 VAL HGy% A 25 VAL HB 1.0 1.474 2.422 107 106 A 24 VAL HGy% A 24 VAL HB 1.0 1.391 2.193 108 107 A 24 VAL HB A 24 VAL HGx% 1.0 1.462 2.388 109 108 A 24 VAL HB A 24 VAL H 1.0 1.822 3.788 110 109 A 24 VAL H A 23 ILE HG2% 1.0 1.993 5.557 111 110 A 23 ILE HD1% A 25 VAL H 1.0 1.909 4.387 112 111 A 23 ILE HG2% B 101 PHE HDx 1.0 1.894 4.266 113 111 A 23 ILE HG2% B 101 PHE HDy 1.0 1.894 4.266 114 112 A 23 ILE HD1% B 101 PHE HDy 1.0 1.847 3.943 115 112 A 23 ILE HD1% B 101 PHE HDx 1.0 1.847 3.943 116 113 A 23 ILE HA A 23 ILE HG2% 1.0 1.710 3.244 117 114 A 23 ILE HA A 23 ILE HD1% 1.0 1.981 5.245 118 115 A 25 VAL HA A 23 ILE HD1% 1.0 1.918 4.458 119 116 A 23 ILE HD1% B 101 PHE HBy 1.0 1.953 4.811 120 117 A 23 ILE HD1% B 101 PHE HBx 1.0 1.839 3.889 121 118 A 16 ASP HBy A 23 ILE HD1% 1.0 1.911 7.779 122 119 A 23 ILE HD1% A 16 ASP HBx 1.0 1.956 7.234 123 120 A 25 VAL HB A 23 ILE HD1% 1.0 1.677 3.111 124 121 A 23 ILE HB A 23 ILE HD1% 1.0 1.585 2.773 125 122 A 23 ILE HG1x A 23 ILE HD1% 1.0 1.462 2.390 126 123 A 23 ILE HD1% A 15 VAL HGx% 1.0 1.233 1.813 127 124 A 23 ILE HB A 23 ILE HG2% 1.0 1.485 2.455 128 125 A 23 ILE HG1x A 23 ILE HG2% 1.0 1.410 2.244 129 126 A 23 ILE HG1x A 23 ILE HG1y 1.0 1.385 2.179 130 127 A 23 ILE HB A 23 ILE HG1x 1.0 1.810 3.720 131 128 A 23 ILE HA A 23 ILE HG1x 1.0 1.994 5.574 132 129 A 23 ILE HA A 23 ILE HG1y 1.0 1.999 5.845 133 130 A 23 ILE HB A 24 VAL H 1.0 1.803 3.683 134 131 A 23 ILE HG1y A 23 ILE HD1% 1.0 1.535 2.609 135 132 A 9 ALA HB% A 10 PRO HDx 1.0 1.693 3.173 136 133 A 9 ALA HB% B 95 GLU HBy 1.0 1.819 3.775 137 134 A 15 VAL HGy% A 23 ILE HG1y 1.0 1.906 4.360 138 135 A 23 ILE HB A 15 VAL HGy% 1.0 1.934 4.614 139 136 A 15 VAL HA A 15 VAL HGy% 1.0 1.690 3.164 140 137 A 15 VAL HGy% B 101 PHE HA 1.0 1.971 5.063 141 138 A 15 VAL HGy% B 101 PHE HDy 1.0 1.991 5.473 142 138 A 15 VAL HGy% B 101 PHE HDx 1.0 1.991 5.473 143 139 A 25 VAL HA A 15 VAL HGy% 1.0 1.841 3.903 144 140 A 15 VAL HGy% B 99 PHE HEx 1.0 1.872 4.104 145 140 A 15 VAL HGy% B 99 PHE HEy 1.0 1.872 4.104 146 141 A 15 VAL HGy% B 99 PHE HDx 1.0 1.893 4.259 147 141 A 15 VAL HGy% B 99 PHE HDy 1.0 1.893 4.259 148 142 A 24 VAL HGx% A 26 ARG HG2 1.0 1.683 3.133 149 143 A 24 VAL HA A 24 VAL HGx% 1.0 1.664 3.056 150 144 A 24 VAL HGx% A 16 ASP H 1.0 1.995 5.617 151 145 A 21 THR HG2% A 21 THR HB 1.0 1.441 2.331 152 146 A 21 THR HG2% B 74 GLY HAy 1.0 1.894 4.262 153 147 A 21 THR HG2% A 22 SER H 1.0 1.988 6.630 154 148 A 14 THR HB A 14 THR HG2% 1.0 1.548 2.650 155 149 A 24 VAL HGy% A 24 VAL H 1.0 1.727 3.317 156 150 A 25 VAL HGy% A 13 PRO HBy 1.0 1.727 3.317 157 151 A 25 VAL HGy% A 14 THR H 1.0 1.995 5.627 158 152 A 15 VAL HA A 15 VAL HGx% 1.0 1.617 2.883 159 153 A 15 VAL H A 15 VAL HGx% 1.0 1.967 5.009 160 154 A 23 ILE HB A 15 VAL HGx% 1.0 1.535 2.607 161 155 A 13 PRO HBx A 13 PRO HGy 1.0 1.874 4.118 162 156 A 13 PRO HBx A 13 PRO HGx 1.0 1.866 4.062 163 157 A 13 PRO HGy A 13 PRO HDx 1.0 1.904 4.342 164 158 A 13 PRO HDy A 13 PRO HGy 1.0 1.923 4.511 165 159 A 13 PRO HA A 13 PRO HGy 1.0 1.922 7.668 166 160 A 13 PRO HA A 13 PRO HGx 1.0 1.995 5.633 167 161 B 99 PHE HDx A 13 PRO HGx 1.0 1.824 8.552 168 161 B 99 PHE HDy A 13 PRO HGx 1.0 1.824 8.552 169 162 B 99 PHE HEx A 13 PRO HGx 1.0 1.925 7.631 170 162 B 99 PHE HEy A 13 PRO HGx 1.0 1.925 7.631 171 163 A 26 ARG HA A 26 ARG HG3 1.0 1.750 3.422 172 164 A 13 PRO HBy A 13 PRO HBx 1.0 1.550 2.654 173 165 A 13 PRO HBy A 13 PRO HDy 1.0 2.000 5.832 174 166 A 13 PRO HBy A 13 PRO HDx 1.0 1.952 7.278 175 167 A 13 PRO HA A 13 PRO HBx 1.0 1.894 4.266 176 168 A 27 TRP HBy A 13 PRO HBy 1.0 2.000 5.900 177 169 A 27 TRP HBx A 13 PRO HBy 1.0 1.723 9.255 178 170 A 27 TRP HA A 13 PRO HBy 1.0 1.991 6.561 179 171 A 27 TRP HA A 13 PRO HBx 1.0 1.993 6.465 180 172 A 27 TRP HBy A 13 PRO HBx 1.0 1.998 5.700 181 173 A 27 TRP HBx A 13 PRO HBx 1.0 1.664 9.618 182 174 A 10 PRO HBy A 10 PRO HBx 1.0 1.428 2.294 183 175 A 10 PRO HDx A 10 PRO HBx 1.0 2.000 6.078 184 176 A 10 PRO HDy A 10 PRO HBx 1.0 1.999 5.813 185 177 A 10 PRO HBx A 29 ARG H 1.0 1.989 6.595 186 178 A 10 PRO HBx A 27 TRP HD1 1.0 1.995 6.369 187 179 A 27 TRP HBy A 10 PRO HBx 1.0 1.902 7.868 188 180 A 27 TRP HA A 10 PRO HBx 1.0 1.889 7.999 189 181 A 27 TRP HBx A 10 PRO HBx 1.0 1.975 5.137 190 182 A 27 TRP HBy A 10 PRO HBy 1.0 1.864 8.228 191 183 A 27 TRP HBx A 10 PRO HBy 1.0 1.994 6.430 192 184 A 9 ALA HB% A 10 PRO HBy 1.0 1.986 6.668 193 185 A 10 PRO HBy B 85 LEU HBx 1.0 1.997 5.727 194 186 A 10 PRO HBy B 97 THR HB 1.0 1.995 5.601 195 187 A 29 ARG HA A 10 PRO HBx 1.0 1.997 5.679 196 188 A 14 THR HB A 26 ARG HBx 1.0 2.000 6.070 197 189 A 14 THR HB A 26 ARG HBy 1.0 1.993 6.489 198 190 A 24 VAL HB A 23 ILE HB 1.0 1.957 7.213 199 191 A 24 VAL HB A 26 ARG HG2 1.0 1.994 5.570 200 192 A 17 GLN HBy A 17 GLN HBx 1.0 1.124 1.580 201 193 A 19 ASP HBx A 19 ASP HBy 1.0 1.501 2.501 202 194 A 23 ILE HB A 23 ILE HG1y 1.0 1.778 3.558 203 195 A 16 ASP HBy A 16 ASP HBx 1.0 1.378 2.160 204 196 A 16 ASP HA A 16 ASP HBx 1.0 1.942 4.688 205 197 A 24 VAL H A 16 ASP HBy 1.0 1.965 7.099 206 198 A 24 VAL H A 16 ASP HBx 1.0 1.991 5.467 207 199 A 24 VAL HB A 16 ASP HBx 1.0 1.712 3.254 208 200 A 24 VAL HB A 16 ASP HBy 1.0 1.989 6.595 209 201 A 13 PRO HBx A 13 PRO HDx 1.0 2.000 5.916 210 202 A 13 PRO HBx A 13 PRO HDy 1.0 1.992 5.496 211 203 A 13 PRO HDy A 13 PRO HGx 1.0 1.764 3.484 212 204 A 13 PRO HA A 13 PRO HDx 1.0 1.891 4.247 213 205 A 13 PRO HA A 13 PRO HDy 1.0 1.911 4.403 214 206 A 10 PRO HDx A 10 PRO HDy 1.0 1.100 1.534 215 207 A 10 PRO HDx A 10 PRO HBy 1.0 1.888 4.216 216 208 A 10 PRO HDy A 10 PRO HBy 1.0 2.000 5.914 217 209 A 9 ALA HB% A 10 PRO HDy 1.0 1.870 4.092 218 210 A 30 PRO HDx A 30 PRO HDy 1.0 1.181 1.701 219 211 A 29 ARG HA A 30 PRO HDy 1.0 1.651 3.005 220 212 B 72 ILE HD1% B 72 ILE HA 1.0 1.984 5.294 221 213 A 25 VAL HGx% B 72 ILE HD1% 1.0 1.496 2.490 222 214 B 37 PRO HDx B 36 ALA HB% 1.0 1.949 4.777 223 215 B 36 ALA HB% B 37 PRO HDy 1.0 1.999 6.223 224 216 B 36 ALA HB% B 36 ALA HA 1.0 1.565 2.703 225 217 B 37 PRO HA B 37 PRO HBy 1.0 1.586 2.774 226 218 B 37 PRO HBy B 37 PRO HBx 1.0 1.267 1.891 227 219 B 37 PRO HDx B 37 PRO HBx 1.0 1.951 4.793 228 220 B 37 PRO HDy B 36 ALA HA 1.0 1.511 2.531 229 221 B 37 PRO HDx B 37 PRO HDy 1.0 1.263 1.879 230 222 B 89 GLN HA B 42 ILE HD1% 1.0 1.929 4.559 231 223 B 42 ILE HD1% B 42 ILE HA 1.0 1.798 3.660 232 224 B 42 ILE HD1% B 87 SER HB3 1.0 1.883 4.185 233 225 B 42 ILE HD1% B 89 GLN HGy 1.0 1.775 3.541 234 226 B 42 ILE HD1% B 89 GLN HGx 1.0 1.975 5.139 235 227 B 42 ILE HD1% B 42 ILE HB 1.0 1.640 2.968 236 228 B 42 ILE HD1% B 42 ILE HG1y 1.0 1.431 2.301 237 229 B 42 ILE HD1% B 87 SER HA 1.0 1.984 6.748 238 230 B 42 ILE HD1% B 89 GLN HE21 1.0 1.954 4.832 239 231 B 42 ILE HD1% B 42 ILE H 1.0 1.763 3.485 240 232 B 42 ILE HG1x B 88 ILE H 1.0 1.992 6.516 241 233 B 42 ILE HG2% B 65 GLY H 1.0 1.997 6.303 242 234 B 42 ILE HG2% B 45 TYR HEx 1.0 1.896 4.280 243 234 B 42 ILE HG2% B 45 TYR HEy 1.0 1.896 4.280 244 235 B 42 ILE HG2% B 45 TYR HDy 1.0 1.963 4.949 245 235 B 42 ILE HG2% B 45 TYR HDx 1.0 1.963 4.949 246 236 B 42 ILE HG2% B 45 TYR HA 1.0 1.947 4.745 247 237 B 87 SER HA B 42 ILE HG2% 1.0 1.855 3.991 248 238 B 42 ILE HG2% B 43 SER HA 1.0 1.981 5.233 249 239 B 89 GLN HA B 42 ILE HG1x 1.0 1.995 6.439 250 240 B 87 SER HA B 42 ILE HG1x 1.0 1.975 6.907 251 241 B 87 SER HB3 B 42 ILE HB 1.0 1.999 5.889 252 242 B 42 ILE HG1x B 87 SER HB2 1.0 1.998 5.746 253 243 B 42 ILE HG2% B 65 GLY HAx 1.0 1.706 3.226 254 244 B 89 GLN HGy B 42 ILE HG1x 1.0 1.926 7.612 255 245 B 42 ILE HB B 42 ILE HG2% 1.0 1.515 2.543 256 246 B 42 ILE HG1y B 42 ILE HG2% 1.0 1.698 3.194 257 247 B 42 ILE HG1y B 42 ILE HG1x 1.0 1.239 1.825 258 248 B 42 ILE HB B 42 ILE HG1x 1.0 1.667 3.069 259 249 B 42 ILE HG1x B 42 ILE HG2% 1.0 1.624 2.908 260 250 B 44 LYS HBy B 45 TYR H 1.0 1.997 6.315 261 251 B 44 LYS HBy B 44 LYS HBx 1.0 1.357 2.107 262 252 B 44 LYS HBy B 44 LYS HGy 1.0 1.713 3.255 263 253 B 44 LYS HBy B 44 LYS HGx 1.0 1.944 4.716 264 254 B 52 LYS HD3 B 52 LYS HA 1.0 1.798 3.656 265 255 B 88 ILE H B 45 TYR HA 1.0 1.974 5.122 266 256 B 45 TYR HA B 45 TYR HBy 1.0 1.900 4.318 267 257 B 45 TYR HA B 45 TYR HBx 1.0 1.755 3.449 268 258 B 45 TYR HDy B 45 TYR HBx 1.0 1.966 4.992 269 258 B 45 TYR HDx B 45 TYR HBx 1.0 1.966 4.992 270 259 B 45 TYR HBy B 45 TYR HBx 1.0 1.618 2.884 271 260 B 46 ILE HB B 86 ILE HG1y 1.0 1.945 4.727 272 261 B 46 ILE HB B 86 ILE HB 1.0 1.678 3.114 273 262 B 46 ILE HB B 46 ILE HA 1.0 1.939 4.665 274 263 B 46 ILE HA B 46 ILE HG2% 1.0 1.634 2.944 275 264 B 46 ILE HG2% B 60 GLU HA 1.0 1.904 4.342 276 265 B 46 ILE HG2% B 48 ARG HE 1.0 1.762 3.478 277 266 B 95 GLU H B 86 ILE HG2% 1.0 1.902 4.322 278 267 B 46 ILE HG2% B 47 LEU H 1.0 1.737 3.359 279 268 B 86 ILE HG2% B 87 SER H 1.0 1.772 3.530 280 269 B 46 ILE HG2% B 48 ARG H 1.0 1.854 3.986 281 270 B 47 LEU HBx B 47 LEU HA 1.0 1.815 3.751 282 271 B 47 LEU HBy B 49 TRP HZ3 1.0 1.864 4.052 283 272 B 47 LEU HBx B 47 LEU HBy 1.0 1.435 2.311 284 273 B 47 LEU HBx B 47 LEU HG 1.0 1.746 3.400 285 274 B 47 LEU HBy B 47 LEU HG 1.0 1.614 2.872 286 275 B 70 TYR HBx B 47 LEU HG 1.0 1.766 3.494 287 276 B 70 TYR HBy B 47 LEU HG 1.0 1.964 4.972 288 277 B 47 LEU HA B 47 LEU HG 1.0 1.952 4.802 289 278 B 70 TYR HDx B 47 LEU HG 1.0 1.825 3.811 290 278 B 70 TYR HDy B 47 LEU HG 1.0 1.825 3.811 291 279 B 47 LEU HG B 49 TRP HH2 1.0 1.999 6.117 292 280 B 48 ARG HA B 48 ARG HBx 1.0 1.719 3.281 293 281 B 48 ARG H B 48 ARG HA 1.0 1.858 4.008 294 282 B 49 TRP HBy B 49 TRP HBx 1.0 1.649 3.001 295 283 B 49 TRP HBy B 83 GLY HAy 1.0 1.990 6.564 296 284 B 49 TRP HBx B 83 GLY HAy 1.0 1.998 5.784 297 285 B 49 TRP HBy B 49 TRP HA 1.0 1.796 3.648 298 286 B 49 TRP HBx B 49 TRP HA 1.0 1.826 3.816 299 287 B 49 TRP HBy B 49 TRP HD1 1.0 1.870 4.090 300 288 B 49 TRP HA B 58 TRP HZ3 1.0 1.839 3.889 301 289 B 49 TRP HA B 58 TRP HE3 1.0 1.945 4.727 302 290 B 49 TRP HBx B 49 TRP HD1 1.0 1.999 6.043 303 291 B 50 ARG HBy B 50 ARG HA 1.0 1.881 4.165 304 292 B 50 ARG HA B 50 ARG HBx 1.0 1.951 4.801 305 293 B 50 ARG HBy B 50 ARG HDy 1.0 1.999 5.843 306 294 B 50 ARG HBx B 50 ARG HDy 1.0 1.988 5.384 307 295 B 52 LYS HA B 82 GLU HBx 1.0 1.996 5.654 308 296 B 52 LYS HA B 52 LYS HBy 1.0 1.935 4.623 309 297 B 52 LYS HA B 52 LYS HBx 1.0 1.900 4.314 310 298 B 52 LYS HBy B 52 LYS HBx 1.0 1.377 2.159 311 299 B 52 LYS HGx B 82 GLU HGy 1.0 1.942 4.692 312 300 B 82 GLU HGy B 52 LYS HGy 1.0 1.965 4.975 313 301 B 52 LYS HA B 52 LYS HGx 1.0 1.867 4.067 314 302 B 52 LYS HA B 52 LYS HGy 1.0 1.999 5.835 315 303 B 75 LEU HG B 72 ILE HB 1.0 1.848 3.944 316 304 B 72 ILE HD1% B 72 ILE HB 1.0 1.762 3.476 317 305 B 72 ILE HG1y B 72 ILE HG2% 1.0 1.849 3.953 318 306 B 79 VAL HGy% B 79 VAL HGx% 1.0 1.278 1.916 319 307 B 63 ILE HD1% B 61 ALA HB% 1.0 1.596 2.808 320 308 B 54 SER HBx B 54 SER HA 1.0 1.795 3.641 321 309 B 55 VAL HGx% B 55 VAL HA 1.0 1.890 4.230 322 310 B 55 VAL HGx% B 55 VAL HB 1.0 1.424 2.284 323 311 B 55 VAL HB B 55 VAL HGy% 1.0 1.421 2.277 324 312 B 55 VAL HGx% B 56 GLY HAy 1.0 1.970 5.052 325 313 B 55 VAL HGx% B 56 GLY HAx 1.0 2.000 6.078 326 314 B 57 ARG HBx B 57 ARG HA 1.0 1.773 3.533 327 315 B 57 ARG HA B 57 ARG HBy 1.0 1.902 4.328 328 316 B 94 GLN HBx B 94 GLN HA 1.0 1.949 4.775 329 317 B 58 TRP HBx B 58 TRP HD1 1.0 1.928 4.560 330 318 B 58 TRP HE3 B 58 TRP HBy 1.0 1.885 4.197 331 319 B 58 TRP HBx B 58 TRP HBy 1.0 1.623 2.903 332 320 B 59 LYS HA B 59 LYS H 1.0 1.671 3.087 333 321 B 59 LYS H B 59 LYS HGx 1.0 1.984 5.298 334 322 B 59 LYS HGx B 60 GLU H 1.0 1.992 6.524 335 323 B 60 GLU H B 59 LYS HGy 1.0 1.943 7.403 336 324 B 60 GLU H B 59 LYS HDy 1.0 1.863 8.233 337 325 B 60 GLU H B 59 LYS HDx 1.0 1.930 7.574 338 326 B 59 LYS HDy B 49 TRP HZ2 1.0 1.952 4.812 339 327 B 59 LYS HA B 59 LYS HE3 1.0 1.865 8.207 340 328 B 59 LYS HBx B 59 LYS HBy 1.0 1.419 2.269 341 329 B 60 GLU HA B 48 ARG HGy 1.0 1.748 3.414 342 330 B 60 GLU HGy B 61 ALA H 1.0 1.986 6.678 343 331 B 61 ALA H B 60 GLU HGx 1.0 1.847 8.363 344 332 B 60 GLU H B 60 GLU HGy 1.0 1.988 6.628 345 333 B 60 GLU HA B 60 GLU HGy 1.0 1.897 4.283 346 334 B 60 GLU HA B 60 GLU HGx 1.0 1.986 5.340 347 335 B 46 ILE HG2% B 60 GLU HGy 1.0 1.956 4.862 348 336 B 47 LEU HG B 61 ALA HB% 1.0 1.892 4.252 349 337 B 47 LEU HBy B 61 ALA HB% 1.0 1.672 3.088 350 338 B 60 GLU HA B 61 ALA HB% 1.0 1.973 5.101 351 339 B 61 ALA HB% B 49 TRP HZ2 1.0 1.995 6.405 352 340 B 49 TRP HH2 B 61 ALA HB% 1.0 1.740 3.378 353 341 B 62 THR HB B 62 THR HG2% 1.0 1.512 2.536 354 342 B 62 THR HB B 62 THR HA 1.0 1.889 4.225 355 343 B 45 TYR H B 62 THR HG2% 1.0 1.973 5.099 356 344 B 62 THR HG2% B 62 THR H 1.0 1.984 5.298 357 345 B 44 LYS HBy B 62 THR HG2% 1.0 1.912 4.414 358 346 B 44 LYS HBx B 62 THR HG2% 1.0 1.625 2.911 359 347 B 62 THR HG2% B 46 ILE HD1% 1.0 1.701 3.205 360 348 B 63 ILE HD1% B 63 ILE HG1x 1.0 1.671 3.085 361 349 B 63 ILE HG2% B 67 LEU HD1% 1.0 1.641 2.969 362 350 B 63 ILE HG2% B 63 ILE HB 1.0 1.450 2.356 363 351 B 63 ILE HB B 63 ILE HG1y 1.0 1.807 3.707 364 352 B 63 ILE HD1% B 63 ILE HB 1.0 1.569 2.717 365 353 B 45 TYR HBy B 63 ILE HB 1.0 1.657 3.031 366 354 B 45 TYR HBx B 63 ILE HB 1.0 1.985 6.707 367 355 B 45 TYR HBy B 63 ILE HG2% 1.0 1.964 4.964 368 356 B 70 TYR HBx B 63 ILE HD1% 1.0 1.932 4.588 369 357 B 70 TYR HBy B 63 ILE HG2% 1.0 1.977 5.163 370 358 B 70 TYR HBy B 63 ILE HD1% 1.0 1.910 4.398 371 359 B 70 TYR HBx B 63 ILE HG1x 1.0 1.978 6.868 372 360 B 63 ILE HG2% B 63 ILE HA 1.0 1.695 3.179 373 361 B 63 ILE HG1x B 63 ILE HA 1.0 1.991 5.473 374 362 B 63 ILE HD1% B 63 ILE HA 1.0 1.880 4.162 375 363 B 63 ILE HG1y A 27 TRP HH2 1.0 1.978 6.852 376 364 B 63 ILE HG1x A 27 TRP HH2 1.0 1.820 3.780 377 365 B 45 TYR HDy B 63 ILE HB 1.0 1.984 6.736 378 365 B 45 TYR HDx B 63 ILE HB 1.0 1.984 6.736 379 366 B 45 TYR HDy B 63 ILE HG2% 1.0 1.978 5.190 380 366 B 45 TYR HDx B 63 ILE HG2% 1.0 1.978 5.190 381 367 B 70 TYR HDx B 63 ILE HG1x 1.0 2.000 5.844 382 367 B 70 TYR HDy B 63 ILE HG1x 1.0 2.000 5.844 383 368 B 63 ILE HG2% B 63 ILE H 1.0 1.995 5.577 384 369 B 63 ILE HG1y B 63 ILE H 1.0 1.967 4.999 385 370 B 63 ILE HD1% B 63 ILE H 1.0 1.727 3.317 386 371 B 64 PRO HBy B 67 LEU HG 1.0 1.988 6.614 387 372 B 64 PRO HBy B 64 PRO HBx 1.0 1.294 1.952 388 373 B 64 PRO HBx B 66 HIS H 1.0 1.825 3.807 389 374 B 64 PRO HBx B 66 HIS HD2 1.0 1.855 3.991 390 375 A 25 VAL HB B 99 PHE HEx 1.0 1.945 4.723 391 375 A 25 VAL HB B 99 PHE HEy 1.0 1.945 4.723 392 376 B 67 LEU HD1% B 64 PRO HG2 1.0 1.920 4.480 393 377 B 65 GLY HAx B 65 GLY HAy 1.0 1.630 2.932 394 378 B 65 GLY HAy B 44 LYS HA 1.0 1.958 4.878 395 379 B 45 TYR HDy B 65 GLY HAx 1.0 1.991 5.479 396 379 B 45 TYR HDx B 65 GLY HAx 1.0 1.991 5.479 397 380 B 66 HIS HD2 B 66 HIS HBy 1.0 1.943 4.711 398 381 B 66 HIS HBy B 66 HIS HBx 1.0 1.504 2.512 399 382 B 67 LEU HBx B 67 LEU HBy 1.0 1.518 2.556 400 383 B 67 LEU HBx B 67 LEU HA 1.0 1.971 5.065 401 384 B 67 LEU HBy B 67 LEU HA 1.0 1.852 3.974 402 385 B 67 LEU HG B 67 LEU HBx 1.0 1.555 2.673 403 386 B 67 LEU HG B 64 PRO HBx 1.0 1.479 2.439 404 387 B 67 LEU HG B 67 LEU HA 1.0 1.889 4.229 405 388 B 68 ASN HBy B 68 ASN HBx 1.0 1.531 2.595 406 389 B 71 THR HA B 71 THR HB 1.0 1.779 3.563 407 390 B 71 THR HB B 70 TYR HA 1.0 1.972 6.970 408 391 B 71 THR HG2% B 71 THR HB 1.0 1.530 2.592 409 392 B 81 TYR H B 80 VAL HG1% 1.0 1.866 4.064 410 393 B 96 VAL HB B 96 VAL HGy% 1.0 1.449 2.351 411 394 B 72 ILE HA B 72 ILE HG1y 1.0 1.881 4.171 412 395 B 72 ILE HA B 72 ILE HB 1.0 1.876 4.128 413 396 B 72 ILE HA B 70 TYR HEx 1.0 1.937 4.647 414 396 B 72 ILE HA B 70 TYR HEy 1.0 1.937 4.647 415 397 B 72 ILE HG1x B 72 ILE H 1.0 1.979 6.827 416 398 B 72 ILE HG1y B 70 TYR HEx 1.0 1.985 5.323 417 398 B 72 ILE HG1y B 70 TYR HEy 1.0 1.985 5.323 418 399 B 70 TYR HEx B 72 ILE HG1x 1.0 1.944 4.712 419 399 B 70 TYR HEy B 72 ILE HG1x 1.0 1.944 4.712 420 400 B 71 THR HA B 72 ILE HG1y 1.0 1.993 6.479 421 401 B 72 ILE HG1y B 72 ILE HG1x 1.0 1.553 2.667 422 402 B 72 ILE HB B 72 ILE HG1x 1.0 1.909 4.383 423 403 A 23 ILE HD1% B 72 ILE HG1y 1.0 1.796 3.648 424 404 B 75 LEU HG B 72 ILE HG2% 1.0 1.637 2.955 425 405 B 72 ILE HB B 72 ILE HG2% 1.0 1.533 2.603 426 406 B 73 LYS HA B 72 ILE HG2% 1.0 1.981 5.239 427 407 B 72 ILE HG2% B 70 TYR HEx 1.0 1.956 4.864 428 407 B 72 ILE HG2% B 70 TYR HEy 1.0 1.956 4.864 429 408 B 49 TRP HH2 B 72 ILE HG2% 1.0 1.973 5.101 430 409 B 72 ILE HG2% B 49 TRP HZ2 1.0 1.921 4.487 431 410 B 72 ILE HD1% B 72 ILE H 1.0 2.000 5.902 432 411 B 72 ILE HD1% B 49 TRP HH2 1.0 1.969 5.031 433 412 B 72 ILE HD1% B 70 TYR HEx 1.0 1.932 4.598 434 412 B 72 ILE HD1% B 70 TYR HEy 1.0 1.932 4.598 435 413 B 72 ILE HD1% B 49 TRP HBy 1.0 1.988 5.390 436 414 B 72 ILE HD1% B 49 TRP HBx 1.0 1.849 3.953 437 415 B 72 ILE HD1% B 72 ILE HG1y 1.0 1.483 2.447 438 416 B 75 LEU HG B 72 ILE HD1% 1.0 1.873 4.113 439 417 B 73 LYS HA B 73 LYS HBy 1.0 1.958 4.880 440 418 B 75 LEU HG B 75 LEU HA 1.0 1.941 4.689 441 419 B 49 TRP HBy B 75 LEU HD2% 1.0 1.954 4.828 442 420 B 79 VAL HGy% B 76 LYS HBx 1.0 1.633 2.937 443 421 B 79 VAL HGy% B 76 LYS HBy 1.0 1.790 3.618 444 422 B 76 LYS HBx B 76 LYS HGx 1.0 1.715 3.267 445 423 B 76 LYS HBy B 76 LYS HGx 1.0 1.747 3.411 446 424 B 76 LYS HBx B 76 LYS HA 1.0 1.926 4.534 447 425 B 76 LYS HBy B 76 LYS HA 1.0 1.825 3.811 448 426 B 76 LYS HGx B 76 LYS HA 1.0 1.905 4.347 449 427 B 76 LYS HA B 76 LYS HGy 1.0 1.900 4.308 450 428 B 76 LYS HBx B 76 LYS HGy 1.0 1.760 3.470 451 429 B 79 VAL HGy% B 76 LYS HGx 1.0 1.994 6.452 452 430 B 79 VAL HGy% B 76 LYS HGy 1.0 1.985 6.695 453 431 B 79 VAL HGx% B 76 LYS HBx 1.0 1.731 3.331 454 432 B 79 VAL HGx% B 79 VAL HB 1.0 1.530 2.590 455 433 B 79 VAL HGy% B 79 VAL HB 1.0 1.461 2.387 456 434 B 79 VAL HGx% B 81 TYR HDx 1.0 1.934 4.616 457 434 B 79 VAL HGx% B 81 TYR HDy 1.0 1.934 4.616 458 435 B 66 HIS HD2 B 67 LEU HD2% 1.0 1.670 3.080 459 436 B 79 VAL HGx% B 76 LYS H 1.0 1.913 4.415 460 437 B 79 VAL HA B 80 VAL HG2% 1.0 1.972 5.078 461 438 A 15 VAL HGy% A 15 VAL H 1.0 1.770 3.516 462 439 B 52 LYS HGy B 80 VAL HG1% 1.0 1.507 2.519 463 440 B 81 TYR HBx B 81 TYR HBy 1.0 1.660 3.038 464 441 B 101 PHE HDy B 81 TYR HBy 1.0 1.997 5.683 465 441 B 101 PHE HDx B 81 TYR HBy 1.0 1.997 5.683 466 442 B 82 GLU HBy B 82 GLU H 1.0 1.999 6.141 467 443 B 82 GLU HBy B 82 GLU HA 1.0 1.876 4.132 468 444 B 82 GLU HA B 82 GLU HGx 1.0 1.995 5.613 469 445 B 82 GLU HGy B 82 GLU HA 1.0 1.963 4.959 470 446 B 52 LYS HGx B 82 GLU HGx 1.0 1.960 4.910 471 447 B 52 LYS HBx B 82 GLU HGy 1.0 1.901 7.885 472 448 B 83 GLY HAy B 83 GLY HAx 1.0 1.545 2.639 473 449 B 82 GLU HA B 100 ASP HB2 1.0 1.985 5.333 474 450 B 49 TRP HA B 83 GLY HAx 1.0 1.789 3.615 475 451 B 58 TRP HZ3 B 83 GLY HAx 1.0 1.935 4.625 476 452 B 83 GLY HAy B 58 TRP HZ3 1.0 1.940 7.448 477 453 B 83 GLY HAy B 49 TRP HA 1.0 1.987 6.647 478 454 B 85 LEU HBx B 85 LEU HBy 1.0 1.498 2.496 479 455 B 85 LEU HG B 85 LEU HBx 1.0 1.659 3.039 480 456 B 85 LEU HG B 85 LEU HBy 1.0 1.723 3.299 481 457 A 27 TRP HBy B 85 LEU HG 1.0 1.859 4.017 482 458 A 27 TRP HBx B 85 LEU HG 1.0 1.986 5.342 483 459 B 85 LEU HBx B 85 LEU HDx% 1.0 1.509 2.527 484 460 B 85 LEU HDy% B 86 ILE HD1% 1.0 1.986 5.338 485 461 B 85 LEU HBx B 85 LEU HDy% 1.0 1.862 4.034 486 462 B 85 LEU HBy B 85 LEU HDy% 1.0 1.759 3.463 487 463 B 45 TYR HBx B 85 LEU HDx% 1.0 1.688 3.150 488 464 B 45 TYR HBx B 85 LEU HDy% 1.0 1.820 3.780 489 465 B 85 LEU HG A 13 PRO HGx 1.0 1.827 3.821 490 466 A 13 PRO HGx B 85 LEU HBy 1.0 1.935 4.623 491 467 A 13 PRO HGx B 85 LEU HBx 1.0 1.987 5.381 492 468 A 13 PRO HGx B 85 LEU HDx% 1.0 1.947 4.749 493 469 A 13 PRO HGx B 85 LEU HDy% 1.0 1.994 5.582 494 470 B 97 THR HB B 85 LEU HDy% 1.0 1.830 8.504 495 471 B 85 LEU HG B 97 THR HB 1.0 1.980 6.820 496 472 B 97 THR HB B 85 LEU HBy 1.0 1.967 7.053 497 473 B 85 LEU HBx B 97 THR HB 1.0 1.937 4.639 498 474 B 85 LEU HG A 13 PRO HDx 1.0 2.000 6.004 499 475 B 85 LEU HBy B 85 LEU HA 1.0 1.858 4.016 500 476 B 87 SER HA B 85 LEU HDx% 1.0 1.961 4.923 501 477 B 85 LEU HDx% B 85 LEU HA 1.0 1.718 3.280 502 478 B 45 TYR HA B 85 LEU HDx% 1.0 1.867 4.071 503 479 B 99 PHE HEx B 85 LEU HBy 1.0 1.989 5.429 504 479 B 99 PHE HEy B 85 LEU HBy 1.0 1.989 5.429 505 480 B 99 PHE HEx B 85 LEU HBx 1.0 1.985 6.703 506 480 B 99 PHE HEy B 85 LEU HBx 1.0 1.985 6.703 507 481 A 27 TRP HE3 B 85 LEU HG 1.0 1.915 4.439 508 482 B 45 TYR HDy B 85 LEU HDx% 1.0 1.868 4.076 509 482 B 45 TYR HDx B 85 LEU HDx% 1.0 1.868 4.076 510 483 B 45 TYR HDx B 85 LEU HDy% 1.0 1.995 5.611 511 483 B 45 TYR HDy B 85 LEU HDy% 1.0 1.995 5.611 512 484 B 45 TYR HEx B 85 LEU HDx% 1.0 1.943 4.705 513 484 B 45 TYR HEy B 85 LEU HDx% 1.0 1.943 4.705 514 485 B 85 LEU HDx% B 46 ILE H 1.0 1.838 3.886 515 486 B 85 LEU HDy% B 46 ILE H 1.0 1.920 4.480 516 487 B 85 LEU HDx% B 86 ILE H 1.0 1.802 3.684 517 488 B 85 LEU HDy% B 86 ILE H 1.0 2.000 5.946 518 489 B 47 LEU H B 85 LEU HDy% 1.0 1.992 5.506 519 490 B 86 ILE HG1y B 86 ILE HB 1.0 1.792 3.630 520 491 B 46 ILE HG2% B 48 ARG HGx 1.0 1.339 2.061 521 492 B 88 ILE HG1x B 88 ILE HG1y 1.0 1.358 2.110 522 493 B 42 ILE HD1% B 42 ILE HG1x 1.0 1.392 2.198 523 494 B 42 ILE HB B 42 ILE HG1y 1.0 1.737 3.361 524 495 B 42 ILE HG1y B 89 GLN HBy 1.0 1.980 5.222 525 496 B 48 ARG HGx B 48 ARG HDy 1.0 1.950 4.792 526 497 B 48 ARG HGy B 48 ARG HDy 1.0 1.795 3.643 527 498 B 48 ARG HGx B 48 ARG HDx 1.0 1.797 3.655 528 499 B 48 ARG HGy B 48 ARG HDx 1.0 1.892 4.250 529 500 B 86 ILE HB B 86 ILE HG1x 1.0 1.887 4.205 530 501 B 87 SER HB3 B 42 ILE HG1y 1.0 1.938 4.658 531 502 B 86 ILE HG1y B 86 ILE HA 1.0 1.979 5.197 532 503 B 87 SER HA B 88 ILE HG1x 1.0 1.994 5.592 533 504 B 88 ILE HG1x B 88 ILE HA 1.0 1.895 4.277 534 505 B 48 ARG HA B 48 ARG HGx 1.0 1.961 4.919 535 506 B 48 ARG HA B 48 ARG HGy 1.0 1.899 4.299 536 507 B 48 ARG HE B 48 ARG HGx 1.0 1.883 4.177 537 508 B 48 ARG HE B 48 ARG HGy 1.0 1.899 4.299 538 509 B 42 ILE HG1y B 88 ILE H 1.0 1.979 5.201 539 510 B 48 ARG H B 48 ARG HGx 1.0 1.811 3.729 540 511 B 48 ARG H B 48 ARG HGy 1.0 1.996 5.620 541 512 B 88 ILE HA B 88 ILE HB 1.0 1.902 4.322 542 513 B 88 ILE HG1x B 88 ILE HB 1.0 1.769 3.509 543 514 B 88 ILE HB B 88 ILE HD1% 1.0 1.884 4.186 544 515 B 94 GLN HA B 88 ILE HG2% 1.0 1.987 6.639 545 516 B 88 ILE HB B 88 ILE HG2% 1.0 1.458 2.376 546 517 B 88 ILE HG1y B 88 ILE HD1% 1.0 1.416 2.260 547 518 B 88 ILE HG1x B 88 ILE HD1% 1.0 1.435 2.313 548 519 B 88 ILE HD1% B 94 GLN HGy 1.0 1.989 5.397 549 520 B 94 GLN HA B 88 ILE HD1% 1.0 1.990 5.442 550 521 B 101 PHE HBy B 101 PHE HDy 1.0 1.972 5.090 551 521 B 101 PHE HBy B 101 PHE HDx 1.0 1.972 5.090 552 522 B 99 PHE HBy B 100 ASP H 1.0 1.964 7.108 553 523 B 99 PHE HBy B 99 PHE HBx 1.0 1.545 2.639 554 524 B 66 HIS HD2 B 66 HIS HBx 1.0 1.943 4.703 555 525 B 45 TYR HA B 88 ILE HD1% 1.0 1.999 5.873 556 526 A 25 VAL HB B 72 ILE HD1% 1.0 1.868 4.076 557 527 B 72 ILE HD1% B 70 TYR HBx 1.0 1.995 5.599 558 528 B 86 ILE HD1% B 46 ILE H 1.0 1.970 5.044 559 529 B 48 ARG HE B 86 ILE HD1% 1.0 1.801 3.679 560 530 B 47 LEU HA B 86 ILE HD1% 1.0 1.925 4.521 561 531 B 86 ILE HD1% B 86 ILE HA 1.0 1.950 4.788 562 532 B 86 ILE HD1% B 48 ARG HDx 1.0 1.605 2.841 563 533 B 86 ILE HB B 86 ILE HD1% 1.0 1.564 2.700 564 534 B 46 ILE HB B 86 ILE HD1% 1.0 1.590 2.788 565 535 B 86 ILE HG1y B 86 ILE HD1% 1.0 1.441 2.331 566 536 B 86 ILE HD1% B 86 ILE HG1x 1.0 1.422 2.276 567 537 B 44 LYS HGx B 46 ILE HD1% 1.0 1.337 2.057 568 538 B 46 ILE HB B 46 ILE HD1% 1.0 1.542 2.630 569 539 B 86 ILE HB B 46 ILE HD1% 1.0 1.833 3.855 570 540 B 46 ILE HD1% B 44 LYS HEx 1.0 1.806 3.700 571 541 B 46 ILE HA B 46 ILE HD1% 1.0 1.857 4.003 572 542 B 47 LEU H B 46 ILE HD1% 1.0 1.981 6.785 573 543 B 47 LEU HA B 63 ILE HD1% 1.0 1.980 5.228 574 544 B 63 ILE HD1% B 62 THR HA 1.0 1.829 3.833 575 545 B 63 ILE HD1% B 70 TYR HA 1.0 1.961 7.147 576 546 B 47 LEU HBy B 63 ILE HD1% 1.0 1.835 3.871 577 547 B 63 ILE HD1% B 63 ILE HG1y 1.0 1.405 2.231 578 548 B 47 LEU HBx B 63 ILE HD1% 1.0 1.447 2.347 579 549 B 63 ILE HD1% B 85 LEU HDy% 1.0 1.712 3.250 580 550 B 88 ILE HG2% B 44 LYS HEx 1.0 1.923 4.501 581 551 B 86 ILE HG2% B 96 VAL HGy% 1.0 1.180 1.698 582 552 B 46 ILE HB B 46 ILE HG2% 1.0 1.425 2.287 583 553 B 86 ILE HG2% B 94 GLN HBy 1.0 1.601 2.827 584 554 B 86 ILE HB B 86 ILE HG2% 1.0 1.454 2.364 585 555 B 86 ILE HG2% B 94 GLN HGx 1.0 1.838 3.886 586 556 B 46 ILE HG2% B 48 ARG HDy 1.0 1.989 5.411 587 557 B 86 ILE HG2% B 88 ILE HA 1.0 1.984 5.286 588 558 B 87 SER HA B 86 ILE HG2% 1.0 1.936 4.632 589 559 B 46 ILE HG2% B 48 ARG HA 1.0 1.973 6.963 590 560 B 86 ILE HG2% B 94 GLN HE22 1.0 1.996 6.396 591 561 B 86 ILE HG2% B 94 GLN HE21 1.0 1.959 4.893 592 562 B 54 SER HBx B 55 VAL HGx% 1.0 1.995 6.421 593 563 B 72 ILE HD1% B 75 LEU HD1% 1.0 1.614 2.872 594 564 B 63 ILE HG2% B 64 PRO HA 1.0 1.985 5.321 595 565 B 45 TYR HBx B 63 ILE HG2% 1.0 1.943 7.397 596 566 B 63 ILE HG2% B 67 LEU HG 1.0 1.676 3.106 597 567 B 71 THR HG2% B 73 LYS HG2 1.0 1.646 2.990 598 568 A 22 SER HA B 71 THR HG2% 1.0 1.994 6.442 599 569 B 96 VAL HGx% B 98 ARG H 1.0 1.863 4.043 600 570 B 96 VAL HGy% B 86 ILE HA 1.0 1.799 3.667 601 571 B 86 ILE HA B 96 VAL HGx% 1.0 1.975 5.129 602 572 B 96 VAL HGx% B 96 VAL HA 1.0 1.616 2.878 603 573 B 96 VAL HB B 96 VAL HGx% 1.0 1.469 2.407 604 574 B 96 VAL HGx% B 98 ARG HGy 1.0 1.620 2.894 605 575 B 86 ILE HG1y B 96 VAL HGx% 1.0 1.853 3.979 606 576 B 52 LYS HA B 80 VAL HG1% 1.0 1.871 8.163 607 577 B 45 TYR HBy B 85 LEU HDx% 1.0 1.961 4.919 608 578 B 45 TYR HBy B 85 LEU HDy% 1.0 1.998 5.724 609 579 B 85 LEU HG B 97 THR HG2% 1.0 2.000 6.006 610 580 B 85 LEU HBx B 97 THR HG2% 1.0 1.979 5.191 611 581 B 97 THR HG2% B 98 ARG HBx 1.0 1.967 7.051 612 582 B 97 THR HG2% A 12 ASP HB3 1.0 1.948 7.344 613 583 B 99 PHE HBy B 97 THR HG2% 1.0 2.000 6.020 614 584 B 97 THR HB B 97 THR HG2% 1.0 1.609 2.855 615 585 B 97 THR HG2% B 97 THR HA 1.0 1.624 2.906 616 586 B 97 THR HG2% B 98 ARG HA 1.0 1.985 5.317 617 587 B 99 PHE HDx B 97 THR HG2% 1.0 1.989 6.579 618 587 B 99 PHE HDy B 97 THR HG2% 1.0 1.989 6.579 619 588 B 99 PHE HEx B 97 THR HG2% 1.0 2.000 5.988 620 588 B 99 PHE HEy B 97 THR HG2% 1.0 2.000 5.988 621 589 B 98 ARG H B 97 THR HG2% 1.0 1.812 3.738 622 590 B 61 ALA HB% B 72 ILE HG1x 1.0 1.939 4.667 623 591 B 67 LEU HD1% B 67 LEU HBx 1.0 1.592 2.796 624 592 B 66 HIS HBy B 67 LEU HD2% 1.0 1.992 6.530 625 593 B 44 LYS HBx B 44 LYS HGx 1.0 1.778 3.558 626 594 B 79 VAL HGx% B 76 LYS HGy 1.0 1.911 7.777 627 595 B 79 VAL HGx% B 76 LYS HGx 1.0 1.930 7.564 628 596 B 67 LEU HG B 67 LEU HBy 1.0 1.726 3.316 629 597 B 67 LEU HG B 64 PRO HG2 1.0 1.843 3.917 630 598 B 67 LEU HG B 66 HIS HD2 1.0 1.972 5.078 631 599 B 52 LYS HGy B 52 LYS H 1.0 1.990 6.562 632 600 B 52 LYS HGx B 52 LYS H 1.0 1.932 4.586 633 601 B 59 LYS HGx B 59 LYS HBx 1.0 1.808 3.710 634 602 B 59 LYS HGx B 59 LYS HBy 1.0 1.894 4.268 635 603 B 59 LYS HGy B 59 LYS HBy 1.0 1.802 3.676 636 604 B 47 LEU HG B 72 ILE HG1x 1.0 1.841 3.901 637 605 A 25 VAL HGx% B 72 ILE HG1x 1.0 1.973 5.093 638 606 B 49 TRP HZ3 B 47 LEU HG 1.0 1.896 4.282 639 607 B 47 LEU HG B 63 ILE HD1% 1.0 1.833 3.857 640 608 B 88 ILE HG1y B 88 ILE HB 1.0 1.721 3.289 641 609 B 88 ILE HG1y B 94 GLN HGy 1.0 1.901 7.881 642 610 B 86 ILE HG1x B 96 VAL HA 1.0 1.901 4.315 643 611 B 89 GLN HA B 42 ILE HG1y 1.0 1.944 4.724 644 612 B 42 ILE HG1y B 87 SER HA 1.0 1.979 6.853 645 613 B 86 ILE HG1y B 86 ILE HG1x 1.0 1.403 2.227 646 614 B 64 PRO HBx B 64 PRO HG2 1.0 1.460 2.382 647 615 B 98 ARG HGy B 98 ARG HBx 1.0 1.773 3.529 648 616 B 98 ARG HBx B 98 ARG HGx 1.0 1.755 3.445 649 617 B 98 ARG HA B 98 ARG HGx 1.0 1.897 4.289 650 618 B 90 GLN HBx B 90 GLN HBy 1.0 1.317 2.007 651 619 B 90 GLN HBx B 91 TYR HBy 1.0 1.957 7.211 652 620 B 90 GLN HBx B 90 GLN HA 1.0 1.871 4.099 653 621 B 90 GLN HBy B 90 GLN HE22 1.0 1.953 7.269 654 622 B 59 LYS HDy B 49 TRP HE1 1.0 1.900 4.312 655 623 B 59 LYS HDx B 49 TRP HZ2 1.0 1.966 4.988 656 624 B 59 LYS HA B 59 LYS HDy 1.0 1.997 6.323 657 625 B 38 GLN HBy B 38 GLN HA 1.0 1.916 4.440 658 626 B 38 GLN HBx B 39 PRO HDx 1.0 1.997 6.335 659 627 B 38 GLN HBy B 39 PRO HDx 1.0 1.878 8.102 660 628 B 38 GLN HBy B 38 GLN HBx 1.0 1.322 2.020 661 629 B 71 THR HG2% B 73 LYS HDy 1.0 1.974 5.118 662 630 B 73 LYS HDy B 73 LYS HDx 1.0 1.545 2.639 663 631 B 73 LYS HDy B 73 LYS H 1.0 1.976 6.894 664 632 B 89 GLN HBy B 89 GLN HBx 1.0 1.460 2.384 665 633 B 89 GLN HBy B 93 HIS HBx 1.0 1.989 6.611 666 634 B 89 GLN HBx B 93 HIS HBx 1.0 1.972 5.088 667 635 B 89 GLN HA B 89 GLN HBx 1.0 1.923 4.507 668 636 B 89 GLN HA B 89 GLN HBy 1.0 1.828 3.822 669 637 B 89 GLN HE21 B 89 GLN HBx 1.0 1.995 6.397 670 638 B 70 TYR HBy B 63 ILE HG1y 1.0 1.990 6.564 671 639 B 70 TYR HBy B 63 ILE HG1x 1.0 1.806 3.702 672 640 B 70 TYR HDx B 63 ILE HG1y 1.0 1.999 5.799 673 640 B 70 TYR HDy B 63 ILE HG1y 1.0 1.999 5.799 674 641 B 63 ILE HG1y B 70 TYR HEx 1.0 1.985 5.319 675 641 B 63 ILE HG1y B 70 TYR HEy 1.0 1.985 5.319 676 642 B 89 GLN HE21 B 93 HIS HBy 1.0 1.988 5.396 677 643 B 89 GLN HE21 B 93 HIS HBx 1.0 1.839 3.889 678 644 B 93 HIS HBx B 94 GLN H 1.0 1.962 7.138 679 645 B 93 HIS HBy B 94 GLN H 1.0 1.997 5.715 680 646 B 39 PRO HDy B 39 PRO HBy 1.0 1.956 4.860 681 647 B 94 GLN HA B 94 GLN HBy 1.0 1.833 3.857 682 648 B 94 GLN HBx B 94 GLN H 1.0 1.964 4.962 683 649 B 57 ARG HBy B 57 ARG H 1.0 1.939 4.665 684 650 B 57 ARG HBy B 58 TRP H 1.0 1.982 6.784 685 651 B 81 TYR H B 80 VAL HB 1.0 1.998 6.252 686 652 B 88 ILE HD1% B 94 GLN HGx 1.0 1.668 3.074 687 653 B 39 PRO HBx B 40 SER H 1.0 1.991 6.549 688 654 B 39 PRO HBx B 39 PRO HA 1.0 1.913 4.419 689 655 B 39 PRO HBy B 39 PRO HBx 1.0 1.312 1.994 690 656 B 98 ARG HGy B 98 ARG HBy 1.0 1.732 3.340 691 657 B 98 ARG HBx B 98 ARG HBy 1.0 1.412 2.252 692 658 B 98 ARG HBx B 97 THR HA 1.0 1.690 9.458 693 659 B 90 GLN HGy B 91 TYR HDy 1.0 1.952 7.280 694 659 B 90 GLN HGy B 91 TYR HDx 1.0 1.952 7.280 695 660 B 90 GLN HGy B 90 GLN HE21 1.0 1.988 5.390 696 661 B 98 ARG HBx B 99 PHE H 1.0 1.956 4.852 697 662 B 49 TRP HZ2 B 59 LYS HBx 1.0 2.000 5.956 698 663 B 49 TRP HZ2 B 59 LYS HBy 1.0 1.996 6.340 699 664 B 49 TRP HH2 B 59 LYS HBx 1.0 1.999 6.161 700 665 B 82 GLU HBx B 82 GLU HBy 1.0 1.469 2.407 701 666 B 90 GLN HGx B 90 GLN H 1.0 1.987 5.369 702 667 B 90 GLN HE22 B 90 GLN HGy 1.0 1.996 5.650 703 668 B 90 GLN HA B 90 GLN HGy 1.0 1.897 4.289 704 669 B 90 GLN HGy B 90 GLN HGx 1.0 1.226 1.796 705 670 B 90 GLN HBy B 90 GLN HGx 1.0 1.690 3.158 706 671 B 52 LYS HBx B 80 VAL HB 1.0 1.919 4.469 707 672 B 49 TRP HBy B 81 TYR HBy 1.0 1.952 4.808 708 673 B 63 ILE HG2% B 64 PRO HBy 1.0 1.945 7.393 709 674 B 63 ILE HG2% B 64 PRO HBx 1.0 1.922 4.504 710 675 B 86 ILE HG2% B 94 GLN HGy 1.0 1.949 4.771 711 676 B 88 ILE HG1y B 94 GLN HGx 1.0 1.998 5.732 712 677 B 94 GLN HGy B 94 GLN HGx 1.0 1.307 1.985 713 678 B 94 GLN HBx B 94 GLN HGx 1.0 1.928 4.558 714 679 B 89 GLN HGx B 89 GLN HE22 1.0 1.897 4.283 715 680 B 89 GLN HGx B 89 GLN HE21 1.0 1.956 4.860 716 681 B 89 GLN HA B 89 GLN HGy 1.0 1.813 3.743 717 682 B 89 GLN HA B 89 GLN HGx 1.0 1.920 4.480 718 683 B 89 GLN HGy B 93 HIS HBx 1.0 1.926 7.612 719 684 B 89 GLN HGy B 89 GLN HGx 1.0 1.401 2.219 720 685 B 44 LYS HBy B 63 ILE H 1.0 1.791 8.797 721 686 B 58 TRP HE3 B 48 ARG HBy 1.0 2.000 5.962 722 687 B 48 ARG HBx B 58 TRP HE3 1.0 1.868 4.076 723 688 B 48 ARG HE B 48 ARG HBy 1.0 1.898 4.294 724 689 B 48 ARG HE B 48 ARG HBx 1.0 1.968 7.042 725 690 B 48 ARG HA B 48 ARG HBy 1.0 1.970 5.056 726 691 B 58 TRP HBy B 48 ARG HBy 1.0 1.898 7.910 727 692 B 48 ARG HBx B 58 TRP HBy 1.0 1.868 4.076 728 693 B 48 ARG HDy B 48 ARG HBy 1.0 1.985 5.319 729 694 B 48 ARG HDx B 48 ARG HBy 1.0 1.891 4.239 730 695 B 48 ARG HBx B 48 ARG HBy 1.0 1.517 2.551 731 696 B 48 ARG HBx B 48 ARG HGy 1.0 1.561 2.689 732 697 B 46 ILE HG2% B 48 ARG HBy 1.0 1.990 6.580 733 698 B 48 ARG HBx B 58 TRP HBx 1.0 1.976 6.906 734 699 B 44 LYS HBy B 44 LYS HEy 1.0 1.834 8.472 735 700 B 52 LYS HA B 82 GLU HGx 1.0 1.998 6.242 736 701 B 91 TYR HBy B 91 TYR HBx 1.0 1.378 2.162 737 702 B 91 TYR HBy B 91 TYR HA 1.0 1.900 4.316 738 703 B 91 TYR HBx B 91 TYR HEy 1.0 1.902 7.862 739 703 B 91 TYR HBx B 91 TYR HEx 1.0 1.902 7.862 740 704 B 91 TYR HDy B 91 TYR HBx 1.0 1.926 4.540 741 704 B 91 TYR HDx B 91 TYR HBx 1.0 1.926 4.540 742 705 B 48 ARG HGy B 60 GLU HGy 1.0 1.801 3.675 743 706 B 71 THR HA B 72 ILE HB 1.0 1.863 8.227 744 707 B 68 ASN HBx B 68 ASN HD22 1.0 1.929 4.571 745 708 A 27 TRP HD1 B 68 ASN HBx 1.0 1.999 6.187 746 709 B 35 ASN HBx B 35 ASN HA 1.0 1.968 5.020 747 710 B 35 ASN HA B 35 ASN HBy 1.0 1.970 5.048 748 711 B 81 TYR HDy B 81 TYR HBy 1.0 2.000 5.976 749 711 B 81 TYR HDx B 81 TYR HBy 1.0 2.000 5.976 750 712 B 81 TYR HDy B 81 TYR HBx 1.0 1.996 6.366 751 712 B 81 TYR HDx B 81 TYR HBx 1.0 1.996 6.366 752 713 B 49 TRP HBx B 81 TYR HBy 1.0 1.878 8.098 753 714 B 45 TYR HA B 46 ILE HB 1.0 1.898 7.910 754 715 B 46 ILE HB B 86 ILE HA 1.0 1.959 7.179 755 716 B 101 PHE HBy B 101 PHE HBx 1.0 1.585 2.771 756 717 B 49 TRP HZ2 B 59 LYS HE2 1.0 1.955 4.851 757 718 B 63 ILE HB B 63 ILE HA 1.0 1.883 4.183 758 719 B 45 TYR HA B 63 ILE HB 1.0 1.781 8.869 759 720 B 49 TRP HBy B 83 GLY HAx 1.0 2.000 6.086 760 721 B 83 GLY HAx B 84 GLN HE22 1.0 1.974 5.122 761 722 B 70 TYR HBy B 70 TYR HBx 1.0 1.561 2.691 762 723 B 70 TYR HBy A 27 TRP HH2 1.0 1.805 3.693 763 724 B 70 TYR HDx B 70 TYR HBy 1.0 1.943 4.709 764 724 B 70 TYR HDy B 70 TYR HBy 1.0 1.943 4.709 765 725 B 48 ARG HE B 48 ARG HDy 1.0 1.818 3.772 766 726 B 70 TYR HDx B 70 TYR HBx 1.0 1.925 4.525 767 726 B 70 TYR HDy B 70 TYR HBx 1.0 1.925 4.525 768 727 B 48 ARG HBx B 48 ARG HDy 1.0 1.756 3.452 769 728 B 48 ARG HBx B 48 ARG HDx 1.0 1.926 4.536 770 729 B 60 GLU HGy B 48 ARG HDy 1.0 1.953 4.827 771 730 B 60 GLU HGy B 48 ARG HDx 1.0 2.000 6.144 772 731 B 48 ARG HDy B 48 ARG HDx 1.0 1.378 2.162 773 732 B 48 ARG HA B 48 ARG HDx 1.0 1.821 8.575 774 733 B 48 ARG HA B 48 ARG HDy 1.0 1.858 8.270 775 734 B 48 ARG HE B 48 ARG HDx 1.0 1.903 4.329 776 735 B 48 ARG H B 48 ARG HDx 1.0 1.972 6.962 777 736 B 47 LEU HBx B 49 TRP HH2 1.0 1.704 9.370 778 737 B 47 LEU HBy B 49 TRP HH2 1.0 1.986 6.682 779 738 B 47 LEU HBx B 49 TRP HZ3 1.0 1.898 7.910 780 739 B 46 ILE HA B 47 LEU HBy 1.0 1.869 8.179 781 740 B 46 ILE HA B 47 LEU HBx 1.0 1.974 6.940 782 741 B 37 PRO HDx B 37 PRO HBy 1.0 1.978 5.186 783 742 B 48 ARG HA B 59 LYS HBx 1.0 1.999 6.215 784 743 B 49 TRP HZ3 B 48 ARG HA 1.0 1.996 5.626 785 744 B 49 TRP HA B 48 ARG HBy 1.0 1.999 6.127 786 745 B 37 PRO HDx B 36 ALA HA 1.0 1.771 3.521 787 746 B 94 GLN H B 93 HIS HA 1.0 1.711 3.251 788 747 B 42 ILE H B 41 HIS HA 1.0 1.580 2.754 789 748 B 42 ILE HA B 42 ILE HB 1.0 1.840 3.898 790 749 B 42 ILE HA B 42 ILE HG1x 1.0 1.972 5.080 791 750 B 42 ILE HA B 42 ILE HG2% 1.0 1.673 3.091 792 751 B 89 GLN HA B 42 ILE HA 1.0 1.673 3.091 793 752 B 87 SER HB3 B 42 ILE HG2% 1.0 1.767 3.505 794 753 B 87 SER HB3 B 42 ILE HG1x 1.0 1.619 2.889 795 754 B 70 TYR HBx B 70 TYR HA 1.0 1.895 4.273 796 755 B 43 SER HA B 44 LYS H 1.0 1.836 3.872 797 756 B 88 ILE H B 88 ILE HA 1.0 1.874 4.116 798 757 B 87 SER HB3 B 88 ILE H 1.0 1.899 4.301 799 758 B 44 LYS HGy B 44 LYS HA 1.0 1.964 4.964 800 759 B 44 LYS HGx B 44 LYS HA 1.0 1.972 5.086 801 760 B 44 LYS HBx B 44 LYS HA 1.0 1.740 3.376 802 761 B 44 LYS HBy B 44 LYS HA 1.0 1.718 3.278 803 762 B 45 TYR H B 44 LYS HA 1.0 1.669 3.073 804 763 B 45 TYR HA B 46 ILE H 1.0 1.642 2.974 805 764 B 48 ARG H B 47 LEU HA 1.0 1.594 2.802 806 765 B 47 LEU HA B 86 ILE H 1.0 1.934 4.612 807 766 B 47 LEU HA B 85 LEU HA 1.0 1.797 3.653 808 767 B 47 LEU HA B 85 LEU HDy% 1.0 1.752 3.430 809 768 B 46 ILE HG2% B 47 LEU HA 1.0 1.861 4.029 810 769 B 47 LEU HA B 47 LEU HBy 1.0 1.747 3.407 811 770 B 67 LEU HA B 67 LEU HD2% 1.0 1.471 2.415 812 771 B 54 SER HA B 54 SER HBy 1.0 1.850 3.958 813 772 B 93 HIS HBx B 93 HIS HA 1.0 1.851 3.967 814 773 B 55 VAL HA B 55 VAL HGy% 1.0 1.524 2.574 815 774 B 55 VAL HA B 55 VAL HB 1.0 1.622 2.900 816 775 B 50 ARG HBy B 58 TRP HA 1.0 1.759 3.463 817 776 B 50 ARG HBx B 58 TRP HA 1.0 1.999 5.797 818 777 B 58 TRP HBx B 58 TRP HA 1.0 1.915 4.439 819 778 B 58 TRP HBy B 58 TRP HA 1.0 1.782 3.578 820 779 B 62 THR HA B 46 ILE HD1% 1.0 1.884 4.194 821 780 B 62 THR HG2% B 62 THR HA 1.0 1.638 2.956 822 781 B 46 ILE HA B 62 THR HA 1.0 1.777 3.551 823 782 B 63 ILE HA B 63 ILE H 1.0 1.843 3.911 824 783 B 63 ILE HG1y B 63 ILE HA 1.0 1.518 2.554 825 784 B 65 GLY H B 64 PRO HA 1.0 1.639 2.963 826 785 B 64 PRO HBy B 64 PRO HA 1.0 1.629 2.925 827 786 B 64 PRO HA B 64 PRO HG3 1.0 1.925 4.527 828 787 B 64 PRO HBx B 64 PRO HA 1.0 1.800 3.670 829 788 B 66 HIS HBx B 66 HIS HA 1.0 1.759 3.461 830 789 B 66 HIS HBy B 66 HIS HA 1.0 1.698 3.192 831 790 B 69 SER HA B 69 SER H 1.0 1.764 3.488 832 791 B 87 SER HA B 45 TYR HA 1.0 1.841 3.903 833 792 B 69 SER HBx B 70 TYR H 1.0 1.999 5.765 834 793 B 70 TYR H B 69 SER HBy 1.0 1.902 4.334 835 794 B 69 SER H B 69 SER HBx 1.0 1.960 4.920 836 795 A 26 ARG HA B 69 SER HBx 1.0 1.983 5.271 837 796 B 69 SER HA B 69 SER HBx 1.0 1.807 3.709 838 797 B 69 SER HA B 69 SER HBy 1.0 1.757 3.455 839 798 A 26 ARG HG3 B 69 SER HBx 1.0 1.805 3.695 840 799 A 26 ARG HG3 B 69 SER HBy 1.0 1.745 3.397 841 800 B 71 THR HG2% B 71 THR HA 1.0 1.526 2.580 842 801 B 98 ARG H B 97 THR HA 1.0 1.538 2.618 843 802 B 73 LYS HA B 73 LYS HBx 1.0 1.673 3.093 844 803 B 75 LEU HA B 75 LEU HD2% 1.0 1.568 2.714 845 804 B 81 TYR H B 80 VAL HA 1.0 1.766 3.494 846 805 B 80 VAL HB B 80 VAL HA 1.0 1.854 3.988 847 806 B 81 TYR HBy B 81 TYR HA 1.0 1.661 3.043 848 807 B 81 TYR HBx B 81 TYR HA 1.0 1.743 3.391 849 808 B 82 GLU HA B 100 ASP HA 1.0 1.788 3.608 850 809 B 82 GLU H B 82 GLU HA 1.0 1.778 3.556 851 810 B 82 GLU HA B 83 GLY H 1.0 1.617 2.885 852 811 B 85 LEU HDy% B 85 LEU HA 1.0 1.626 2.916 853 812 B 85 LEU HG B 85 LEU HA 1.0 1.907 4.371 854 813 B 85 LEU HA B 86 ILE H 1.0 1.712 3.250 855 814 B 86 ILE HA B 96 VAL HA 1.0 1.764 3.488 856 815 B 86 ILE HG1x B 86 ILE HA 1.0 1.712 3.252 857 816 B 86 ILE HG2% B 86 ILE HA 1.0 1.604 2.836 858 817 B 88 ILE HA B 88 ILE HD1% 1.0 1.691 3.163 859 818 B 88 ILE HA B 88 ILE HG2% 1.0 1.525 2.575 860 819 B 56 GLY HAy B 56 GLY HAx 1.0 1.373 2.147 861 820 B 56 GLY HAx B 57 ARG HBy 1.0 1.951 7.301 862 821 B 88 ILE HG2% B 92 GLY HAx 1.0 1.754 3.438 863 822 B 88 ILE HG2% B 92 GLY HAy 1.0 1.973 5.097 864 823 B 92 GLY HAx B 92 GLY HAy 1.0 1.403 2.225 865 824 B 78 GLY HAy B 78 GLY HAx 1.0 1.481 2.443 866 825 B 74 GLY HAy B 74 GLY HAx 1.0 1.477 2.431 867 826 B 45 TYR HEy B 65 GLY HAy 1.0 1.993 6.445 868 826 B 45 TYR HEx B 65 GLY HAy 1.0 1.993 6.445 869 827 B 45 TYR HDy B 65 GLY HAy 1.0 1.968 7.048 870 827 B 45 TYR HDx B 65 GLY HAy 1.0 1.968 7.048 871 828 B 42 ILE HG2% B 65 GLY HAy 1.0 1.977 5.161 872 829 B 61 ALA HB% B 61 ALA HA 1.0 1.500 2.500 873 830 B 68 ASN HA B 68 ASN H 1.0 1.880 4.158 874 831 B 68 ASN HBx B 68 ASN HA 1.0 1.754 3.440 875 832 B 68 ASN HBy B 68 ASN HA 1.0 1.863 4.041 876 833 B 100 ASP HA B 101 PHE H 1.0 1.785 3.593 877 834 B 38 GLN HA B 38 GLN HBx 1.0 1.767 3.501 878 835 B 38 GLN HA B 39 PRO HDx 1.0 1.460 2.382 879 836 B 38 GLN HA B 39 PRO HDy 1.0 1.573 2.731 880 837 B 85 LEU HBx B 85 LEU HA 1.0 1.808 3.714 881 838 B 94 GLN HA B 88 ILE HA 1.0 1.845 3.925 882 839 B 94 GLN HA B 94 GLN HGx 1.0 1.756 3.448 883 840 B 94 GLN HA B 94 GLN HGy 1.0 1.903 4.329 884 841 B 82 GLU HBx B 82 GLU HA 1.0 1.822 3.788 885 842 B 60 GLU HA B 61 ALA H 1.0 1.605 2.839 886 843 B 60 GLU HA B 49 TRP HH2 1.0 1.977 5.171 887 844 B 60 GLU HA B 49 TRP HZ3 1.0 1.904 4.342 888 845 B 60 GLU HA B 48 ARG HA 1.0 1.725 3.309 889 846 B 63 ILE HG2% B 44 LYS HA 1.0 1.975 5.123 890 847 B 42 ILE HG2% B 44 LYS HA 1.0 1.938 4.656 891 848 B 65 GLY HAx B 44 LYS HA 1.0 1.822 3.790 892 849 B 98 ARG H B 98 ARG HA 1.0 1.867 4.069 893 850 B 98 ARG HBx B 98 ARG HA 1.0 1.669 3.075 894 851 B 98 ARG HA B 98 ARG HBy 1.0 1.865 4.061 895 852 B 98 ARG HGy B 98 ARG HA 1.0 1.780 3.564 896 853 B 86 ILE HG2% B 94 GLN HA 1.0 1.931 4.587 897 854 B 45 TYR HA B 46 ILE HD1% 1.0 1.853 3.973 898 855 B 45 TYR HA B 44 LYS HBx 1.0 1.994 5.568 899 856 B 45 TYR HA B 87 SER HB2 1.0 1.979 5.203 900 857 B 45 TYR HEy B 45 TYR HA 1.0 2.000 5.888 901 857 B 45 TYR HEx B 45 TYR HA 1.0 2.000 5.888 902 858 B 59 LYS HA B 59 LYS HGx 1.0 1.743 3.389 903 859 B 59 LYS HA B 59 LYS HGy 1.0 1.820 3.776 904 860 B 59 LYS HA B 59 LYS HBy 1.0 1.870 4.088 905 861 B 59 LYS HA B 59 LYS HBx 1.0 1.696 3.186 906 862 B 57 ARG HA B 58 TRP HD1 1.0 1.987 5.369 907 863 B 57 ARG HA B 58 TRP H 1.0 1.584 2.768 908 864 B 99 PHE HBx B 99 PHE HA 1.0 1.708 3.234 909 865 B 99 PHE HBy B 99 PHE HA 1.0 1.671 3.087 910 866 B 99 PHE HDx B 99 PHE HA 1.0 2.000 6.032 911 866 B 99 PHE HDy B 99 PHE HA 1.0 2.000 6.032 912 867 A 15 VAL HGx% B 101 PHE HA 1.0 1.949 4.779 913 868 A 23 ILE HD1% B 101 PHE HA 1.0 2.000 5.884 914 869 B 101 PHE HBx B 101 PHE HA 1.0 1.746 3.406 915 870 B 101 PHE HBy B 101 PHE HA 1.0 1.836 3.870 916 871 B 101 PHE HDy B 101 PHE HA 1.0 1.998 5.726 917 871 B 101 PHE HDx B 101 PHE HA 1.0 1.998 5.726 918 872 B 58 TRP HD1 B 58 TRP HA 1.0 1.983 5.287 919 873 B 91 TYR HDy B 91 TYR HA 1.0 1.936 4.626 920 873 B 91 TYR HDx B 91 TYR HA 1.0 1.936 4.626 921 874 B 91 TYR HBx B 91 TYR HA 1.0 1.702 3.210 922 875 B 90 GLN HBy B 90 GLN HA 1.0 1.766 3.494 923 876 B 90 GLN HA B 90 GLN HGx 1.0 1.874 4.120 924 877 B 52 LYS HA B 82 GLU H 1.0 1.995 6.421 925 878 B 52 LYS HA B 82 GLU HGy 1.0 1.993 5.525 926 879 B 70 TYR HBy B 70 TYR HA 1.0 1.746 3.400 927 880 B 70 TYR HDx B 70 TYR HA 1.0 1.929 4.565 928 880 B 70 TYR HDy B 70 TYR HA 1.0 1.929 4.565 929 881 B 70 TYR HA B 70 TYR H 1.0 1.884 4.194 930 882 B 86 ILE HB B 86 ILE HA 1.0 1.894 4.260 931 883 B 42 ILE HA B 43 SER HB2 1.0 1.994 6.410 932 884 B 42 ILE HA B 89 GLN HGy 1.0 1.861 4.029 933 885 B 42 ILE HA B 42 ILE HG1y 1.0 1.802 3.680 934 886 B 88 ILE HG1y B 88 ILE HA 1.0 1.932 4.590 935 887 B 89 GLN HGy B 88 ILE HA 1.0 2.000 6.084 936 888 B 97 THR HB B 97 THR HA 1.0 1.867 4.069 937 889 B 96 VAL HB B 96 VAL HA 1.0 1.794 3.638 938 890 B 79 VAL HGx% B 79 VAL HA 1.0 1.651 3.007 939 891 B 79 VAL HGy% B 79 VAL HA 1.0 1.572 2.726 940 892 B 79 VAL HB B 79 VAL HA 1.0 1.872 4.106 941 893 B 72 ILE HA B 72 ILE HG2% 1.0 1.736 3.356 942 894 B 72 ILE HA B 72 ILE HG1x 1.0 1.761 3.469 943 895 B 37 PRO HDx B 37 PRO HA 1.0 1.968 5.012 944 896 B 37 PRO HA B 37 PRO HBx 1.0 1.772 3.530 945 897 B 44 LYS HBx B 64 PRO HA 1.0 1.968 5.020 946 898 B 54 SER HBx B 54 SER HBy 1.0 1.361 2.117 947 899 B 72 ILE HA B 72 ILE H 1.0 1.829 3.829 948 900 B 71 THR HA B 72 ILE H 1.0 1.618 2.884 949 901 B 72 ILE HG1y B 72 ILE H 1.0 1.663 3.055 950 902 B 72 ILE HB B 72 ILE H 1.0 1.731 3.337 951 903 B 71 THR HG2% B 72 ILE H 1.0 1.768 3.508 952 904 B 38 GLN HBy B 38 GLN H 1.0 1.886 4.202 953 905 B 38 GLN HBx B 38 GLN H 1.0 1.968 5.018 954 906 B 37 PRO HA B 38 GLN H 1.0 1.714 3.258 955 907 B 38 GLN HA B 38 GLN H 1.0 1.958 4.890 956 908 B 37 PRO HBy B 38 GLN H 1.0 1.971 7.005 957 909 B 40 SER H B 40 SER HA 1.0 1.759 3.467 958 910 B 39 PRO HBy B 40 SER H 1.0 1.993 6.483 959 911 B 39 PRO HDx B 40 SER H 1.0 1.983 6.747 960 912 B 42 ILE H B 42 ILE HG2% 1.0 1.962 4.928 961 913 B 42 ILE HB B 42 ILE H 1.0 1.632 2.938 962 914 B 42 ILE H B 41 HIS HB2 1.0 1.965 4.979 963 915 B 42 ILE HA B 42 ILE H 1.0 1.838 3.888 964 916 B 42 ILE H B 45 TYR HEy 1.0 1.860 8.260 965 916 B 42 ILE H B 45 TYR HEx 1.0 1.860 8.260 966 917 B 42 ILE H B 44 LYS H 1.0 1.839 8.431 967 918 B 42 ILE H B 43 SER H 1.0 1.978 6.860 968 919 B 42 ILE H B 43 SER HA 1.0 1.970 7.010 969 920 B 42 ILE HG2% B 43 SER H 1.0 1.754 3.438 970 921 B 42 ILE HD1% B 43 SER H 1.0 1.997 6.303 971 922 B 42 ILE HG1x B 43 SER H 1.0 1.956 7.228 972 923 B 42 ILE HG1y B 43 SER H 1.0 1.986 6.678 973 924 B 88 ILE HD1% B 43 SER H 1.0 1.925 7.619 974 925 B 42 ILE HB B 43 SER H 1.0 1.968 5.034 975 926 B 44 LYS HBy B 43 SER H 1.0 1.977 6.881 976 927 B 89 GLN HGy B 43 SER H 1.0 1.955 7.239 977 928 B 42 ILE HA B 43 SER H 1.0 1.575 2.737 978 929 B 43 SER HA B 43 SER H 1.0 1.826 3.812 979 930 B 89 GLN HA B 43 SER H 1.0 1.758 3.458 980 931 B 45 TYR HDy B 43 SER H 1.0 1.644 9.730 981 931 B 45 TYR HDx B 43 SER H 1.0 1.644 9.730 982 932 B 45 TYR HEy B 43 SER H 1.0 1.746 9.104 983 932 B 45 TYR HEx B 43 SER H 1.0 1.746 9.104 984 933 B 90 GLN H B 43 SER H 1.0 1.993 6.475 985 934 B 42 ILE HA B 44 LYS H 1.0 1.979 5.213 986 935 B 42 ILE HG2% B 44 LYS H 1.0 1.587 2.775 987 936 B 44 LYS HGx B 44 LYS H 1.0 1.947 4.755 988 937 B 42 ILE HG1y B 44 LYS H 1.0 1.970 7.018 989 938 B 88 ILE HB B 44 LYS H 1.0 1.803 3.683 990 939 B 88 ILE H B 44 LYS H 1.0 1.901 4.317 991 940 B 44 LYS H B 43 SER H 1.0 1.688 3.152 992 941 B 90 GLN H B 44 LYS H 1.0 1.679 9.521 993 942 B 45 TYR H B 44 LYS H 1.0 2.000 6.074 994 943 B 44 LYS HGy B 44 LYS H 1.0 1.772 3.524 995 944 B 44 LYS HBx B 44 LYS H 1.0 1.993 5.523 996 945 B 44 LYS HA B 44 LYS H 1.0 1.809 3.721 997 946 B 65 GLY HAy B 44 LYS H 1.0 1.998 5.798 998 947 B 89 GLN HA B 44 LYS H 1.0 1.999 6.163 999 948 B 45 TYR HA B 44 LYS H 1.0 1.993 6.497 1000 949 B 45 TYR HDy B 44 LYS H 1.0 1.939 7.457 1001 949 B 45 TYR HDx B 44 LYS H 1.0 1.939 7.457 1002 950 B 45 TYR HEy B 44 LYS H 1.0 1.877 8.101 1003 950 B 45 TYR HEx B 44 LYS H 1.0 1.877 8.101 1004 951 B 88 ILE HG1x B 44 LYS H 1.0 2.000 6.104 1005 952 B 89 GLN HGy B 44 LYS H 1.0 1.606 9.942 1006 953 B 45 TYR H B 44 LYS HGx 1.0 1.972 5.086 1007 954 B 45 TYR H B 85 LEU HDx% 1.0 1.940 7.448 1008 955 B 42 ILE HG2% B 45 TYR H 1.0 1.994 5.556 1009 956 B 45 TYR H B 63 ILE HD1% 1.0 2.000 5.984 1010 957 B 45 TYR H B 63 ILE HB 1.0 1.866 4.066 1011 958 B 45 TYR H B 63 ILE HG2% 1.0 1.990 5.436 1012 959 B 45 TYR H B 46 ILE HA 1.0 1.997 6.309 1013 960 B 45 TYR HA B 45 TYR H 1.0 1.903 4.341 1014 961 B 45 TYR H B 45 TYR HBx 1.0 1.999 5.883 1015 962 B 45 TYR H B 45 TYR HBy 1.0 1.820 3.776 1016 963 B 45 TYR H B 44 LYS HBx 1.0 1.791 3.625 1017 964 B 45 TYR H B 46 ILE HD1% 1.0 1.991 5.457 1018 965 B 65 GLY HAx B 45 TYR H 1.0 1.999 5.827 1019 966 B 45 TYR H B 65 GLY HAy 1.0 1.885 8.039 1020 967 B 45 TYR H B 62 THR HA 1.0 1.967 7.061 1021 968 B 45 TYR H A 27 TRP HZ2 1.0 1.877 8.105 1022 969 B 45 TYR HDy B 45 TYR H 1.0 1.960 4.910 1023 969 B 45 TYR HDx B 45 TYR H 1.0 1.960 4.910 1024 970 B 45 TYR HEy B 45 TYR H 1.0 1.964 7.106 1025 970 B 45 TYR HEx B 45 TYR H 1.0 1.964 7.106 1026 971 B 65 GLY H B 45 TYR H 1.0 1.983 6.749 1027 972 B 88 ILE H B 45 TYR H 1.0 1.933 7.537 1028 973 B 46 ILE HD1% B 46 ILE H 1.0 1.721 3.293 1029 974 B 46 ILE HB B 46 ILE H 1.0 1.762 3.476 1030 975 B 46 ILE HA B 46 ILE H 1.0 1.885 4.191 1031 976 B 87 SER HA B 46 ILE H 1.0 1.955 4.835 1032 977 B 46 ILE H B 86 ILE H 1.0 1.903 4.335 1033 978 B 63 ILE H B 46 ILE H 1.0 1.942 7.412 1034 979 B 45 TYR HDy B 46 ILE H 1.0 1.985 6.697 1035 979 B 45 TYR HDx B 46 ILE H 1.0 1.985 6.697 1036 980 B 85 LEU HA B 46 ILE H 1.0 1.999 5.805 1037 981 B 62 THR HA B 46 ILE H 1.0 1.997 6.309 1038 982 B 45 TYR HBy B 46 ILE H 1.0 2.000 5.962 1039 983 B 45 TYR HBx B 46 ILE H 1.0 1.899 4.303 1040 984 B 42 ILE HG2% B 46 ILE H 1.0 1.882 8.056 1041 985 B 85 LEU HG B 46 ILE H 1.0 1.934 7.524 1042 986 B 86 ILE HB B 46 ILE H 1.0 1.922 4.500 1043 987 B 46 ILE HA B 63 ILE H 1.0 1.888 4.220 1044 988 B 62 THR HA B 63 ILE H 1.0 1.643 2.977 1045 989 B 47 LEU H B 47 LEU HG 1.0 1.977 6.881 1046 990 B 47 LEU H B 47 LEU HBx 1.0 1.713 3.255 1047 991 B 47 LEU H B 47 LEU HBy 1.0 1.821 3.787 1048 992 B 47 LEU H B 47 LEU HA 1.0 1.823 3.795 1049 993 B 46 ILE HA B 47 LEU H 1.0 1.601 2.827 1050 994 B 47 LEU H B 62 THR HA 1.0 1.941 4.681 1051 995 B 47 LEU H B 61 ALA H 1.0 1.840 3.894 1052 996 B 47 LEU H B 49 TRP HH2 1.0 1.892 7.968 1053 997 B 47 LEU H B 63 ILE H 1.0 1.982 6.772 1054 998 B 47 LEU H B 49 TRP HZ3 1.0 1.996 6.360 1055 999 B 46 ILE HB B 47 LEU H 1.0 1.997 5.701 1056 1000 B 47 LEU H B 61 ALA HB% 1.0 1.861 4.029 1057 1001 B 47 LEU H B 63 ILE HD1% 1.0 1.766 3.500 1058 1002 B 48 ARG H B 48 ARG HBy 1.0 1.777 3.549 1059 1003 B 48 ARG H B 48 ARG HBx 1.0 1.958 4.888 1060 1004 B 48 ARG H B 48 ARG HDy 1.0 1.819 8.585 1061 1005 B 48 ARG H B 85 LEU HA 1.0 1.947 4.755 1062 1006 B 48 ARG H B 86 ILE H 1.0 1.976 6.886 1063 1007 B 47 LEU H B 48 ARG H 1.0 1.999 6.235 1064 1008 B 48 ARG H B 58 TRP HE3 1.0 1.827 8.523 1065 1009 B 48 ARG HE B 48 ARG H 1.0 1.978 6.860 1066 1010 B 48 ARG H B 49 TRP HZ3 1.0 1.995 6.405 1067 1011 B 48 ARG H B 49 TRP HA 1.0 1.970 7.022 1068 1012 B 48 ARG H B 83 GLY HAy 1.0 1.935 7.503 1069 1013 B 48 ARG H B 83 GLY HAx 1.0 1.937 7.481 1070 1014 B 48 ARG H B 60 GLU HGx 1.0 1.579 10.091 1071 1015 B 49 TRP HBx B 49 TRP H 1.0 1.995 5.627 1072 1016 B 49 TRP HBy B 49 TRP H 1.0 1.997 6.313 1073 1017 B 49 TRP HA B 49 TRP H 1.0 1.892 4.248 1074 1018 B 48 ARG HA B 49 TRP H 1.0 1.676 3.104 1075 1019 B 60 GLU HA B 49 TRP H 1.0 1.983 5.293 1076 1020 B 48 ARG H B 49 TRP H 1.0 2.000 6.038 1077 1021 B 58 TRP HE3 B 49 TRP H 1.0 1.878 4.140 1078 1022 B 49 TRP H B 49 TRP HE3 1.0 1.950 4.794 1079 1023 B 83 GLY HAy B 49 TRP H 1.0 1.682 9.510 1080 1024 B 50 ARG HA B 49 TRP H 1.0 1.984 6.724 1081 1025 B 58 TRP HA B 49 TRP H 1.0 1.991 5.485 1082 1026 B 58 TRP HBy B 49 TRP H 1.0 1.978 5.194 1083 1027 B 58 TRP HBx B 49 TRP H 1.0 1.888 8.006 1084 1028 B 83 GLY HAx B 49 TRP H 1.0 1.815 8.621 1085 1029 B 48 ARG HDy B 49 TRP H 1.0 1.816 8.608 1086 1030 B 48 ARG HDx B 49 TRP H 1.0 1.593 10.015 1087 1031 B 48 ARG HBx B 49 TRP H 1.0 1.783 3.583 1088 1032 B 48 ARG HBy B 49 TRP H 1.0 1.972 5.084 1089 1033 B 59 LYS HBx B 49 TRP H 1.0 1.995 6.399 1090 1034 B 59 LYS HBy B 49 TRP H 1.0 1.885 4.193 1091 1035 B 50 ARG HBy B 50 ARG H 1.0 1.956 4.864 1092 1036 B 50 ARG HBx B 50 ARG H 1.0 1.931 4.581 1093 1037 B 50 ARG HA B 50 ARG H 1.0 1.853 3.979 1094 1038 B 50 ARG HDy B 50 ARG H 1.0 1.788 8.816 1095 1039 B 81 TYR HBy B 50 ARG H 1.0 1.968 5.022 1096 1040 B 83 GLY HAy B 50 ARG H 1.0 1.861 8.245 1097 1041 B 83 GLY HAx B 50 ARG H 1.0 1.980 6.824 1098 1042 B 58 TRP HE3 B 50 ARG H 1.0 1.979 5.199 1099 1043 B 58 TRP HZ3 B 50 ARG H 1.0 1.899 4.299 1100 1044 B 49 TRP HD1 B 50 ARG H 1.0 1.917 4.447 1101 1045 B 49 TRP HA B 50 ARG H 1.0 1.677 3.107 1102 1046 B 81 TYR HA B 50 ARG H 1.0 1.957 7.221 1103 1047 B 58 TRP HA B 50 ARG H 1.0 1.939 7.467 1104 1048 B 49 TRP HBy B 50 ARG H 1.0 1.826 3.814 1105 1049 B 49 TRP HBx B 50 ARG H 1.0 1.999 6.227 1106 1050 B 82 GLU HBx B 50 ARG H 1.0 1.908 4.380 1107 1051 B 82 GLU HBy B 50 ARG H 1.0 1.994 6.462 1108 1052 B 72 ILE HD1% B 50 ARG H 1.0 1.790 8.804 1109 1053 B 52 LYS HBx B 52 LYS H 1.0 1.855 3.991 1110 1054 B 52 LYS HBy B 52 LYS H 1.0 1.609 2.851 1111 1055 B 52 LYS HA B 52 LYS H 1.0 1.668 3.074 1112 1056 B 52 LYS H B 81 TYR HA 1.0 1.763 3.487 1113 1057 B 82 GLU H B 52 LYS H 1.0 1.970 5.056 1114 1058 B 81 TYR H B 52 LYS H 1.0 1.934 7.520 1115 1059 B 81 TYR HDy B 52 LYS H 1.0 1.864 8.218 1116 1059 B 81 TYR HDx B 52 LYS H 1.0 1.864 8.218 1117 1060 B 52 LYS H B 80 VAL HA 1.0 1.964 7.116 1118 1061 B 82 GLU HGx B 52 LYS H 1.0 1.837 8.441 1119 1062 B 82 GLU HGy B 52 LYS H 1.0 1.997 6.339 1120 1063 B 79 VAL HGx% B 52 LYS H 1.0 1.872 4.108 1121 1064 B 54 SER H B 53 ASN H 1.0 1.911 4.395 1122 1065 B 69 SER H B 68 ASN H 1.0 1.633 2.939 1123 1066 B 69 SER H B 70 TYR H 1.0 1.983 6.753 1124 1067 B 70 TYR H A 27 TRP H 1.0 1.765 8.981 1125 1068 B 53 ASN H B 53 ASN HA 1.0 1.754 3.438 1126 1069 B 52 LYS HBx B 53 ASN H 1.0 1.818 3.768 1127 1070 B 52 LYS HBy B 53 ASN H 1.0 1.906 4.360 1128 1071 B 82 GLU HGy B 53 ASN H 1.0 1.870 8.168 1129 1072 B 54 SER HBy B 53 ASN H 1.0 1.572 10.130 1130 1073 B 52 LYS HA B 53 ASN H 1.0 1.825 3.805 1131 1074 B 52 LYS H B 53 ASN H 1.0 1.938 4.658 1132 1075 B 54 SER H B 55 VAL H 1.0 1.913 7.759 1133 1076 B 54 SER HBx B 54 SER H 1.0 1.949 4.781 1134 1077 B 54 SER HBy B 54 SER H 1.0 1.833 3.855 1135 1078 B 55 VAL HGx% B 55 VAL H 1.0 1.580 2.752 1136 1079 B 55 VAL HGy% B 55 VAL H 1.0 1.783 3.583 1137 1080 B 55 VAL HB B 55 VAL H 1.0 1.912 4.412 1138 1081 B 54 SER HBy B 55 VAL H 1.0 1.963 4.937 1139 1082 B 54 SER HBx B 55 VAL H 1.0 1.740 3.376 1140 1083 B 56 GLY HAy B 55 VAL H 1.0 1.901 7.881 1141 1084 B 55 VAL HA B 55 VAL H 1.0 1.803 3.687 1142 1085 B 54 SER HA B 55 VAL H 1.0 1.708 3.236 1143 1086 B 55 VAL HGx% B 56 GLY H 1.0 1.787 3.603 1144 1087 B 55 VAL HGy% B 56 GLY H 1.0 1.977 5.167 1145 1088 B 55 VAL HB B 56 GLY H 1.0 1.987 5.367 1146 1089 B 55 VAL HA B 56 GLY H 1.0 1.822 3.788 1147 1090 B 55 VAL H B 56 GLY H 1.0 1.763 3.481 1148 1091 B 54 SER H B 56 GLY H 1.0 1.844 8.396 1149 1092 B 54 SER HA B 56 GLY H 1.0 1.995 5.613 1150 1093 B 56 GLY HAy B 56 GLY H 1.0 1.725 3.311 1151 1094 B 56 GLY HAx B 56 GLY H 1.0 1.717 3.273 1152 1095 B 54 SER HBy B 56 GLY H 1.0 1.965 4.977 1153 1096 B 57 ARG HBx B 57 ARG H 1.0 1.972 5.082 1154 1097 B 56 GLY HAx B 57 ARG H 1.0 1.727 3.321 1155 1098 B 56 GLY HAy B 57 ARG H 1.0 1.710 3.244 1156 1099 B 57 ARG HA B 57 ARG H 1.0 1.796 3.652 1157 1100 B 58 TRP HBx B 58 TRP H 1.0 1.676 3.104 1158 1101 B 58 TRP HBy B 58 TRP H 1.0 1.970 5.046 1159 1102 B 50 ARG HBy B 58 TRP H 1.0 2.000 6.024 1160 1103 B 50 ARG HBx B 58 TRP H 1.0 1.935 7.515 1161 1104 B 57 ARG HBx B 58 TRP H 1.0 1.706 3.228 1162 1105 B 58 TRP HD1 B 58 TRP H 1.0 1.714 3.264 1163 1106 B 57 ARG H B 58 TRP H 1.0 1.997 6.339 1164 1107 B 59 LYS H B 59 LYS HBy 1.0 1.687 3.145 1165 1108 B 59 LYS H B 59 LYS HBx 1.0 1.971 5.059 1166 1109 B 59 LYS H B 59 LYS HGy 1.0 1.735 3.353 1167 1110 B 50 ARG HBx B 59 LYS H 1.0 1.984 6.730 1168 1111 B 58 TRP HBx B 59 LYS H 1.0 1.998 5.802 1169 1112 B 58 TRP HBy B 59 LYS H 1.0 1.920 4.478 1170 1113 B 49 TRP HBx B 59 LYS H 1.0 1.879 8.095 1171 1114 B 59 LYS H B 58 TRP HA 1.0 1.580 2.754 1172 1115 B 50 ARG HA B 59 LYS H 1.0 1.986 5.324 1173 1116 B 60 GLU HA B 59 LYS H 1.0 1.979 6.829 1174 1117 B 48 ARG HA B 59 LYS H 1.0 1.999 6.151 1175 1118 B 49 TRP HA B 59 LYS H 1.0 1.982 6.772 1176 1119 B 58 TRP HE3 B 59 LYS H 1.0 1.963 4.951 1177 1120 B 59 LYS H B 50 ARG H 1.0 1.953 7.277 1178 1121 B 59 LYS H B 49 TRP H 1.0 1.843 3.921 1179 1122 B 60 GLU H B 60 GLU HGx 1.0 1.889 4.223 1180 1123 B 60 GLU H B 59 LYS HBy 1.0 1.976 5.158 1181 1124 B 60 GLU H B 59 LYS HBx 1.0 1.692 3.168 1182 1125 B 58 TRP HBy B 60 GLU H 1.0 1.914 7.748 1183 1126 B 59 LYS HA B 60 GLU H 1.0 1.539 2.621 1184 1127 B 60 GLU H B 61 ALA HA 1.0 1.993 6.489 1185 1128 B 60 GLU HA B 60 GLU H 1.0 1.817 3.765 1186 1129 B 48 ARG HA B 60 GLU H 1.0 1.997 6.287 1187 1130 B 49 TRP HZ3 B 60 GLU H 1.0 2.000 6.070 1188 1131 B 49 TRP HH2 B 60 GLU H 1.0 2.000 5.988 1189 1132 B 60 GLU H B 49 TRP HZ2 1.0 1.959 7.181 1190 1133 B 59 LYS H B 60 GLU H 1.0 1.990 6.570 1191 1134 B 60 GLU H B 49 TRP H 1.0 1.921 7.665 1192 1135 B 60 GLU H B 61 ALA H 1.0 1.997 6.327 1193 1136 B 61 ALA H B 62 THR H 1.0 1.998 5.774 1194 1137 B 49 TRP HH2 B 61 ALA H 1.0 1.978 5.178 1195 1138 B 49 TRP HZ3 B 61 ALA H 1.0 1.842 3.912 1196 1139 B 48 ARG HA B 61 ALA H 1.0 1.971 5.065 1197 1140 B 61 ALA H B 62 THR HA 1.0 1.997 6.293 1198 1141 B 61 ALA H B 61 ALA HA 1.0 1.818 3.768 1199 1142 B 61 ALA H B 48 ARG HGx 1.0 1.997 5.727 1200 1143 B 61 ALA HB% B 61 ALA H 1.0 1.683 3.133 1201 1144 B 47 LEU HG B 61 ALA H 1.0 1.958 7.200 1202 1145 B 46 ILE HG2% B 61 ALA H 1.0 1.827 3.823 1203 1146 B 63 ILE HD1% B 61 ALA H 1.0 1.992 5.496 1204 1147 B 62 THR H B 63 ILE H 1.0 1.989 6.615 1205 1148 B 47 LEU H B 62 THR H 1.0 1.962 7.146 1206 1149 B 49 TRP HH2 B 62 THR H 1.0 1.823 8.555 1207 1150 B 62 THR HA B 62 THR H 1.0 1.829 3.829 1208 1151 B 62 THR H B 61 ALA HA 1.0 1.519 2.559 1209 1152 B 62 THR HB B 62 THR H 1.0 1.668 3.072 1210 1153 B 61 ALA HB% B 62 THR H 1.0 1.830 3.836 1211 1154 B 63 ILE HD1% B 62 THR H 1.0 1.983 5.281 1212 1155 B 46 ILE HD1% B 63 ILE H 1.0 1.989 5.405 1213 1156 B 62 THR HG2% B 63 ILE H 1.0 1.703 3.213 1214 1157 B 44 LYS HBx B 63 ILE H 1.0 1.971 5.057 1215 1158 B 63 ILE HB B 63 ILE H 1.0 1.733 3.345 1216 1159 B 45 TYR HBx B 63 ILE H 1.0 1.919 7.691 1217 1160 B 45 TYR HBy B 63 ILE H 1.0 1.990 5.466 1218 1161 B 45 TYR HDy B 63 ILE H 1.0 1.919 7.693 1219 1161 B 45 TYR HDx B 63 ILE H 1.0 1.919 7.693 1220 1162 B 45 TYR H B 63 ILE H 1.0 1.878 4.148 1221 1163 B 65 GLY H B 65 GLY HAx 1.0 1.869 4.081 1222 1164 B 65 GLY H B 65 GLY HAy 1.0 1.750 3.420 1223 1165 B 65 GLY H B 63 ILE HG2% 1.0 1.966 7.072 1224 1166 B 65 GLY H B 44 LYS HBx 1.0 1.997 6.311 1225 1167 B 65 GLY H B 64 PRO HBx 1.0 1.965 4.987 1226 1168 B 65 GLY H B 64 PRO HBy 1.0 1.907 4.365 1227 1169 B 65 GLY H B 44 LYS HA 1.0 1.822 3.796 1228 1170 B 65 GLY H B 45 TYR HDy 1.0 1.937 7.487 1229 1170 B 65 GLY H B 45 TYR HDx 1.0 1.937 7.487 1230 1171 B 66 HIS H B 66 HIS HBx 1.0 1.910 4.396 1231 1172 B 66 HIS H B 66 HIS HBy 1.0 1.857 4.001 1232 1173 B 66 HIS H B 66 HIS HA 1.0 1.829 3.837 1233 1174 B 65 GLY HAx B 66 HIS H 1.0 1.887 4.209 1234 1175 B 66 HIS H B 65 GLY HAy 1.0 1.977 5.175 1235 1176 B 67 LEU HG B 66 HIS H 1.0 1.999 5.827 1236 1177 B 63 ILE HG2% B 66 HIS H 1.0 1.964 7.108 1237 1178 B 66 HIS H B 67 LEU HBy 1.0 1.669 9.583 1238 1179 B 66 HIS H B 67 LEU HBx 1.0 1.985 6.707 1239 1180 B 64 PRO HBy B 66 HIS H 1.0 1.995 5.631 1240 1181 B 66 HIS H B 67 LEU HA 1.0 1.936 7.494 1241 1182 B 42 ILE HG2% B 66 HIS H 1.0 1.958 7.192 1242 1183 B 45 TYR HDy B 66 HIS H 1.0 1.873 8.139 1243 1183 B 45 TYR HDx B 66 HIS H 1.0 1.873 8.139 1244 1184 B 66 HIS HBx B 67 LEU H 1.0 1.999 6.133 1245 1185 B 66 HIS HBy B 67 LEU H 1.0 2.000 6.082 1246 1186 B 66 HIS HA B 67 LEU H 1.0 1.924 4.514 1247 1187 B 67 LEU HG B 67 LEU H 1.0 1.684 3.136 1248 1188 B 63 ILE HG2% B 67 LEU H 1.0 1.905 4.351 1249 1189 B 67 LEU HBy B 67 LEU H 1.0 1.924 4.520 1250 1190 B 67 LEU HBx B 67 LEU H 1.0 1.659 3.037 1251 1191 B 64 PRO HBx B 67 LEU H 1.0 1.941 4.685 1252 1192 B 64 PRO HBy B 67 LEU H 1.0 1.701 9.397 1253 1193 B 65 GLY HAx B 67 LEU H 1.0 1.992 6.500 1254 1194 B 65 GLY HAy B 67 LEU H 1.0 1.894 7.952 1255 1195 B 67 LEU HA B 67 LEU H 1.0 1.774 3.540 1256 1196 B 69 SER H B 67 LEU H 1.0 1.950 7.326 1257 1197 B 45 TYR HDy B 67 LEU H 1.0 1.992 6.516 1258 1197 B 45 TYR HDx B 67 LEU H 1.0 1.992 6.516 1259 1198 B 45 TYR HEy B 67 LEU H 1.0 1.991 5.477 1260 1198 B 45 TYR HEx B 67 LEU H 1.0 1.991 5.477 1261 1199 B 68 ASN HBx B 68 ASN H 1.0 1.997 5.705 1262 1200 B 67 LEU HBx B 68 ASN H 1.0 1.966 4.986 1263 1201 B 67 LEU HBy B 68 ASN H 1.0 1.754 3.440 1264 1202 B 68 ASN HBy B 68 ASN H 1.0 1.896 4.278 1265 1203 B 63 ILE HG2% B 68 ASN H 1.0 1.990 6.580 1266 1204 B 67 LEU HG B 68 ASN H 1.0 1.995 6.403 1267 1205 B 67 LEU HG B 69 SER H 1.0 1.991 6.553 1268 1206 B 63 ILE HG1x B 69 SER H 1.0 1.992 5.508 1269 1207 B 63 ILE HG2% B 69 SER H 1.0 1.908 4.374 1270 1208 B 67 LEU HBy B 69 SER H 1.0 1.808 3.716 1271 1209 B 67 LEU HBx B 69 SER H 1.0 1.930 4.568 1272 1210 B 68 ASN HBy B 69 SER H 1.0 1.997 6.323 1273 1211 B 68 ASN HBx B 69 SER H 1.0 1.986 6.692 1274 1212 B 69 SER H B 69 SER HBy 1.0 1.919 4.473 1275 1213 B 69 SER H B 68 ASN HA 1.0 1.846 3.936 1276 1214 B 70 TYR HBy B 69 SER H 1.0 1.998 5.778 1277 1215 B 70 TYR HBx B 70 TYR H 1.0 1.894 4.264 1278 1216 B 70 TYR HBy B 70 TYR H 1.0 1.953 4.827 1279 1217 B 69 SER HA B 70 TYR H 1.0 1.663 3.051 1280 1218 A 26 ARG HA B 70 TYR H 1.0 1.943 4.715 1281 1219 A 27 TRP HZ3 B 70 TYR H 1.0 1.875 4.129 1282 1220 A 27 TRP HE3 B 70 TYR H 1.0 1.983 6.771 1283 1221 B 70 TYR HDx B 70 TYR H 1.0 1.964 7.106 1284 1221 B 70 TYR HDy B 70 TYR H 1.0 1.964 7.106 1285 1222 B 70 TYR H B 71 THR H 1.0 1.976 6.908 1286 1223 B 71 THR HG2% B 71 THR H 1.0 1.955 4.855 1287 1224 B 63 ILE HD1% B 71 THR H 1.0 1.920 7.686 1288 1225 B 72 ILE HG1y B 71 THR H 1.0 1.998 6.210 1289 1226 B 70 TYR HBx B 71 THR H 1.0 1.999 5.779 1290 1227 B 70 TYR HBy B 71 THR H 1.0 2.000 5.938 1291 1228 B 71 THR HB B 71 THR H 1.0 1.702 3.208 1292 1229 B 69 SER HBy B 71 THR H 1.0 1.900 7.882 1293 1230 B 70 TYR HA B 71 THR H 1.0 1.629 2.923 1294 1231 A 24 VAL HA B 71 THR H 1.0 1.994 6.442 1295 1232 B 71 THR HA B 71 THR H 1.0 1.829 3.831 1296 1233 B 70 TYR HDx B 71 THR H 1.0 1.961 4.925 1297 1233 B 70 TYR HDy B 71 THR H 1.0 1.961 4.925 1298 1234 B 70 TYR HEx B 71 THR H 1.0 2.000 6.046 1299 1234 B 70 TYR HEy B 71 THR H 1.0 2.000 6.046 1300 1235 B 72 ILE H B 71 THR H 1.0 1.999 5.805 1301 1236 A 25 VAL H B 72 ILE H 1.0 1.958 4.884 1302 1237 B 73 LYS HBy B 73 LYS H 1.0 1.761 3.473 1303 1238 B 73 LYS H B 73 LYS HBx 1.0 1.996 5.632 1304 1239 B 73 LYS HA B 73 LYS H 1.0 1.858 4.012 1305 1240 B 72 ILE H B 73 LYS H 1.0 1.970 7.008 1306 1241 B 72 ILE HA B 73 LYS H 1.0 1.630 2.928 1307 1242 B 72 ILE HB B 73 LYS H 1.0 1.987 5.389 1308 1243 B 72 ILE HG2% B 73 LYS H 1.0 1.766 3.498 1309 1244 B 75 LEU HG B 73 LYS H 1.0 1.999 5.863 1310 1245 B 71 THR HG2% B 73 LYS H 1.0 1.995 5.579 1311 1246 A 22 SER HA B 73 LYS H 1.0 1.898 7.914 1312 1247 B 70 TYR HEx B 73 LYS H 1.0 2.000 6.000 1313 1247 B 70 TYR HEy B 73 LYS H 1.0 2.000 6.000 1314 1248 B 49 TRP HZ2 B 73 LYS H 1.0 1.993 5.527 1315 1249 B 73 LYS H B 74 GLY HAx 1.0 1.951 7.313 1316 1250 B 75 LEU H B 74 GLY H 1.0 1.653 3.013 1317 1251 B 73 LYS H B 74 GLY H 1.0 2.000 6.002 1318 1252 A 22 SER HA B 74 GLY H 1.0 1.992 5.494 1319 1253 B 73 LYS HA B 74 GLY H 1.0 1.623 2.905 1320 1254 A 21 THR HB B 74 GLY H 1.0 1.863 4.043 1321 1255 B 75 LEU HA B 74 GLY H 1.0 1.847 8.367 1322 1256 B 74 GLY HAx B 74 GLY H 1.0 1.816 3.760 1323 1257 B 74 GLY HAy B 74 GLY H 1.0 1.685 3.139 1324 1258 A 22 SER HBy B 74 GLY H 1.0 1.975 6.921 1325 1259 A 22 SER HBx B 74 GLY H 1.0 1.998 6.252 1326 1260 B 73 LYS HBx B 74 GLY H 1.0 1.838 3.886 1327 1261 B 73 LYS HBy B 74 GLY H 1.0 1.947 4.743 1328 1262 B 75 LEU HG B 74 GLY H 1.0 1.986 6.676 1329 1263 B 72 ILE HG2% B 74 GLY H 1.0 1.998 6.240 1330 1264 B 75 LEU HG B 75 LEU H 1.0 1.801 3.675 1331 1265 B 75 LEU H B 72 ILE HG2% 1.0 1.991 5.459 1332 1266 A 21 THR HG2% B 75 LEU H 1.0 1.869 4.079 1333 1267 B 75 LEU H B 73 LYS HBx 1.0 1.673 9.557 1334 1268 B 75 LEU H B 74 GLY HAy 1.0 1.966 4.988 1335 1269 B 75 LEU H B 74 GLY HAx 1.0 1.998 5.730 1336 1270 B 75 LEU H B 75 LEU HA 1.0 1.839 3.889 1337 1271 B 73 LYS HA B 75 LEU H 1.0 1.973 6.959 1338 1272 A 22 SER HA B 75 LEU H 1.0 1.995 6.405 1339 1273 B 75 LEU H B 76 LYS H 1.0 2.000 6.012 1340 1274 B 76 LYS H B 79 VAL H 1.0 1.844 8.396 1341 1275 B 81 TYR HDy B 76 LYS H 1.0 1.984 5.296 1342 1275 B 81 TYR HDx B 76 LYS H 1.0 1.984 5.296 1343 1276 B 76 LYS H B 81 TYR HEy 1.0 1.993 6.483 1344 1276 B 76 LYS H B 81 TYR HEx 1.0 1.993 6.483 1345 1277 B 76 LYS HA B 76 LYS H 1.0 1.802 3.680 1346 1278 B 75 LEU HA B 76 LYS H 1.0 1.613 2.867 1347 1279 B 79 VAL HB B 76 LYS H 1.0 1.934 4.618 1348 1280 B 76 LYS HBx B 76 LYS H 1.0 1.679 3.115 1349 1281 B 76 LYS HBy B 76 LYS H 1.0 1.921 4.491 1350 1282 B 76 LYS HGx B 76 LYS H 1.0 1.817 3.763 1351 1283 B 76 LYS HGy B 76 LYS H 1.0 1.847 3.943 1352 1284 A 21 THR HG2% B 76 LYS H 1.0 1.918 4.464 1353 1285 B 79 VAL HGy% B 76 LYS H 1.0 1.995 5.603 1354 1286 B 75 LEU HG B 76 LYS H 1.0 1.994 6.454 1355 1287 B 75 LEU HD2% B 76 LYS H 1.0 1.964 4.968 1356 1288 B 79 VAL HGx% B 79 VAL H 1.0 1.980 5.218 1357 1289 B 79 VAL HGy% B 79 VAL H 1.0 1.758 3.456 1358 1290 B 79 VAL HB B 79 VAL H 1.0 1.746 3.402 1359 1291 B 79 VAL HA B 79 VAL H 1.0 1.871 4.101 1360 1292 B 78 GLY HAy B 79 VAL H 1.0 1.978 5.192 1361 1293 B 78 GLY HAx B 79 VAL H 1.0 1.960 4.914 1362 1294 B 76 LYS HBx B 79 VAL H 1.0 1.999 5.765 1363 1295 B 76 LYS HBy B 79 VAL H 1.0 1.998 6.248 1364 1296 B 81 TYR H B 81 TYR HBy 1.0 1.892 4.246 1365 1297 B 81 TYR H B 81 TYR HBx 1.0 1.941 4.677 1366 1298 B 79 VAL HGx% B 81 TYR H 1.0 1.968 7.036 1367 1299 B 52 LYS HA B 81 TYR H 1.0 1.803 8.707 1368 1300 B 81 TYR H B 81 TYR HA 1.0 1.985 5.327 1369 1301 B 81 TYR H B 82 GLU HA 1.0 2.000 6.042 1370 1302 B 81 TYR H B 81 TYR HDy 1.0 1.881 8.065 1371 1302 B 81 TYR H B 81 TYR HDx 1.0 1.881 8.065 1372 1303 B 81 TYR HBy B 82 GLU H 1.0 1.891 4.237 1373 1304 B 79 VAL HGx% B 82 GLU H 1.0 1.977 6.883 1374 1305 B 52 LYS HBy B 82 GLU H 1.0 1.996 5.682 1375 1306 B 82 GLU HBx B 82 GLU H 1.0 1.795 3.645 1376 1307 B 82 GLU HGy B 82 GLU H 1.0 1.800 3.672 1377 1308 B 82 GLU H B 82 GLU HGx 1.0 1.940 4.678 1378 1309 B 49 TRP HBx B 82 GLU H 1.0 1.755 9.045 1379 1310 B 82 GLU H B 81 TYR HA 1.0 1.720 3.286 1380 1311 B 49 TRP HA B 82 GLU H 1.0 1.997 6.295 1381 1312 B 82 GLU H B 53 ASN H 1.0 1.703 9.381 1382 1313 B 81 TYR H B 82 GLU H 1.0 1.928 7.596 1383 1314 B 83 GLY H B 84 GLN H 1.0 1.933 7.525 1384 1315 B 83 GLY H B 101 PHE H 1.0 1.989 6.589 1385 1316 B 58 TRP HZ3 B 83 GLY H 1.0 1.986 6.668 1386 1317 B 49 TRP HA B 83 GLY H 1.0 1.874 8.132 1387 1318 B 83 GLY HAy B 83 GLY H 1.0 1.824 3.800 1388 1319 B 83 GLY HAx B 83 GLY H 1.0 1.940 4.676 1389 1320 B 49 TRP HBy B 83 GLY H 1.0 1.857 8.281 1390 1321 B 82 GLU HBy B 83 GLY H 1.0 1.995 5.591 1391 1322 B 82 GLU HBx B 83 GLY H 1.0 1.981 6.795 1392 1323 B 83 GLY HAx B 84 GLN H 1.0 1.742 3.384 1393 1324 B 84 GLN H B 84 GLN HA 1.0 1.845 3.927 1394 1325 B 83 GLY HAy B 84 GLN H 1.0 1.827 3.823 1395 1326 B 58 TRP HE3 B 84 GLN H 1.0 1.975 6.917 1396 1327 B 58 TRP HZ3 B 84 GLN H 1.0 1.978 5.182 1397 1328 B 99 PHE HEx B 84 GLN H 1.0 1.990 5.450 1398 1328 B 99 PHE HEy B 84 GLN H 1.0 1.990 5.450 1399 1329 B 84 GLN HE22 B 84 GLN H 1.0 2.000 5.972 1400 1330 B 49 TRP HA B 84 GLN H 1.0 1.997 5.677 1401 1331 B 48 ARG HA B 84 GLN H 1.0 1.972 6.966 1402 1332 B 47 LEU HA B 84 GLN H 1.0 1.999 6.147 1403 1333 B 49 TRP HBy B 84 GLN H 1.0 1.813 8.629 1404 1334 B 49 TRP HBx B 84 GLN H 1.0 1.991 6.525 1405 1335 B 48 ARG HDx B 84 GLN H 1.0 1.912 7.758 1406 1336 B 48 ARG HBx B 84 GLN H 1.0 1.997 6.283 1407 1337 B 48 ARG HGx B 84 GLN H 1.0 1.999 6.199 1408 1338 B 48 ARG HBy B 84 GLN H 1.0 1.922 4.502 1409 1339 B 86 ILE HD1% B 84 GLN H 1.0 1.998 6.258 1410 1340 B 85 LEU HDy% B 84 GLN H 1.0 1.977 6.885 1411 1341 B 96 VAL HGx% B 85 LEU H 1.0 1.936 4.630 1412 1342 B 85 LEU HBx B 85 LEU H 1.0 1.808 3.718 1413 1343 B 97 THR HG2% B 85 LEU H 1.0 1.995 5.621 1414 1344 B 85 LEU HBy B 85 LEU H 1.0 1.859 4.015 1415 1345 B 97 THR HB B 85 LEU H 1.0 1.993 5.547 1416 1346 B 84 GLN HA B 85 LEU H 1.0 1.649 2.997 1417 1347 B 98 ARG HA B 85 LEU H 1.0 1.989 5.419 1418 1348 B 99 PHE HEx B 85 LEU H 1.0 1.998 5.806 1419 1348 B 99 PHE HEy B 85 LEU H 1.0 1.998 5.806 1420 1349 B 99 PHE HDx B 85 LEU H 1.0 1.982 6.774 1421 1349 B 99 PHE HDy B 85 LEU H 1.0 1.982 6.774 1422 1350 B 99 PHE H B 85 LEU H 1.0 1.826 8.530 1423 1351 B 98 ARG H B 85 LEU H 1.0 1.983 5.273 1424 1352 B 86 ILE H B 85 LEU H 1.0 1.988 6.638 1425 1353 B 86 ILE H B 86 ILE HA 1.0 1.901 4.321 1426 1354 B 86 ILE H B 96 VAL HA 1.0 1.943 7.401 1427 1355 B 85 LEU HG B 86 ILE H 1.0 1.905 7.845 1428 1356 B 86 ILE HD1% B 86 ILE H 1.0 1.788 3.608 1429 1357 B 86 ILE H B 86 ILE HG1x 1.0 1.870 4.086 1430 1358 B 86 ILE HG1y B 86 ILE H 1.0 1.900 4.312 1431 1359 B 46 ILE HB B 86 ILE H 1.0 1.939 4.657 1432 1360 B 85 LEU HBy B 86 ILE H 1.0 1.969 7.031 1433 1361 B 86 ILE HB B 86 ILE H 1.0 1.839 3.893 1434 1362 B 87 SER H B 96 VAL HA 1.0 1.988 5.386 1435 1363 B 95 GLU H B 87 SER H 1.0 1.829 3.833 1436 1364 B 87 SER H B 86 ILE H 1.0 1.985 6.695 1437 1365 B 87 SER H B 96 VAL H 1.0 1.919 7.691 1438 1366 B 45 TYR HDy B 87 SER H 1.0 1.799 8.733 1439 1366 B 45 TYR HDx B 87 SER H 1.0 1.799 8.733 1440 1367 B 45 TYR HA B 87 SER H 1.0 1.888 8.002 1441 1368 B 87 SER H B 94 GLN HA 1.0 1.996 6.376 1442 1369 B 87 SER H B 86 ILE HA 1.0 1.636 2.952 1443 1370 B 87 SER HA B 87 SER H 1.0 1.873 4.109 1444 1371 B 87 SER HB2 B 87 SER H 1.0 1.847 3.943 1445 1372 B 45 TYR HBx B 87 SER H 1.0 1.910 7.780 1446 1373 B 95 GLU HBy B 87 SER H 1.0 1.984 6.724 1447 1374 B 87 SER H B 95 GLU HBx 1.0 1.939 4.657 1448 1375 B 87 SER H B 94 GLN HBy 1.0 1.999 5.919 1449 1376 B 46 ILE HB B 87 SER H 1.0 1.929 7.579 1450 1377 B 86 ILE HG1y B 87 SER H 1.0 1.923 7.647 1451 1378 B 87 SER H B 88 ILE HG1x 1.0 1.997 6.333 1452 1379 B 87 SER H B 86 ILE HG1x 1.0 1.990 6.562 1453 1380 B 87 SER H B 96 VAL HGy% 1.0 1.987 5.375 1454 1381 B 42 ILE HG2% B 87 SER H 1.0 1.695 9.429 1455 1382 B 87 SER H B 85 LEU HDx% 1.0 1.998 6.256 1456 1383 B 36 ALA HA B 36 ALA H 1.0 1.861 4.031 1457 1384 B 87 SER HA B 88 ILE H 1.0 1.653 3.017 1458 1385 B 88 ILE H B 87 SER H 1.0 1.952 7.284 1459 1386 B 88 ILE H B 43 SER H 1.0 1.990 6.572 1460 1387 B 88 ILE H B 45 TYR HEy 1.0 1.912 7.772 1461 1387 B 88 ILE H B 45 TYR HEx 1.0 1.912 7.772 1462 1388 B 88 ILE H B 45 TYR HDy 1.0 1.988 6.626 1463 1388 B 88 ILE H B 45 TYR HDx 1.0 1.988 6.626 1464 1389 B 88 ILE H B 94 GLN HA 1.0 1.889 7.991 1465 1390 B 88 ILE H B 88 ILE HB 1.0 1.743 3.389 1466 1391 B 88 ILE H B 88 ILE HG1x 1.0 1.814 3.746 1467 1392 B 88 ILE H B 88 ILE HG1y 1.0 2.000 6.056 1468 1393 B 88 ILE H B 88 ILE HG2% 1.0 1.970 5.056 1469 1394 B 88 ILE H B 88 ILE HD1% 1.0 1.957 4.869 1470 1395 B 88 ILE H B 42 ILE HG2% 1.0 1.781 3.575 1471 1396 B 94 GLN HA B 89 GLN H 1.0 1.923 4.507 1472 1397 B 88 ILE H B 89 GLN H 1.0 1.987 5.373 1473 1398 B 89 GLN HE22 B 89 GLN H 1.0 1.856 8.294 1474 1399 B 89 GLN HA B 89 GLN H 1.0 1.825 3.807 1475 1400 B 88 ILE HA B 89 GLN H 1.0 1.582 2.758 1476 1401 B 42 ILE HA B 89 GLN H 1.0 1.943 7.413 1477 1402 B 90 GLN HA B 89 GLN H 1.0 1.883 8.059 1478 1403 B 92 GLY HAy B 89 GLN H 1.0 1.681 9.509 1479 1404 B 93 HIS HBy B 89 GLN H 1.0 1.919 7.699 1480 1405 B 93 HIS HBx B 89 GLN H 1.0 2.000 6.002 1481 1406 B 89 GLN HBx B 89 GLN H 1.0 1.717 3.275 1482 1407 B 89 GLN HGx B 89 GLN H 1.0 1.759 3.461 1483 1408 B 89 GLN HGy B 89 GLN H 1.0 1.979 5.195 1484 1409 B 94 GLN HGy B 89 GLN H 1.0 1.976 6.912 1485 1410 B 89 GLN HBy B 89 GLN H 1.0 1.955 4.849 1486 1411 B 88 ILE HB B 89 GLN H 1.0 1.970 5.040 1487 1412 B 88 ILE HG2% B 89 GLN H 1.0 1.797 3.655 1488 1413 B 88 ILE HD1% B 89 GLN H 1.0 1.999 5.809 1489 1414 B 42 ILE HG2% B 89 GLN H 1.0 1.949 7.323 1490 1415 B 49 TRP HZ2 B 49 TRP HE1 1.0 1.754 3.438 1491 1416 B 58 TRP HBx B 58 TRP HE1 1.0 1.957 7.209 1492 1417 B 58 TRP HBy B 58 TRP HE1 1.0 1.894 7.948 1493 1418 B 58 TRP H B 58 TRP HE1 1.0 1.980 6.830 1494 1419 B 57 ARG HBx B 58 TRP HE1 1.0 1.685 9.489 1495 1420 B 63 ILE H B 44 LYS HA 1.0 1.956 7.228 1496 1421 B 45 TYR HA B 63 ILE H 1.0 1.952 7.288 1497 1422 B 65 GLY H B 43 SER HA 1.0 1.989 6.599 1498 1423 B 65 GLY H B 67 LEU HG 1.0 1.637 9.775 1499 1424 B 65 GLY H B 44 LYS HBy 1.0 1.940 4.672 1500 1425 B 65 GLY H B 44 LYS H 1.0 1.997 6.323 1501 1426 B 47 LEU H B 46 ILE H 1.0 1.998 5.790 1502 1427 B 49 TRP HD1 B 49 TRP HE1 1.0 1.673 3.093 1503 1428 B 75 LEU HA B 49 TRP HE1 1.0 2.000 5.908 1504 1429 B 49 TRP HBy B 49 TRP HE1 1.0 1.941 7.437 1505 1430 B 72 ILE HA B 49 TRP HE1 1.0 1.903 7.857 1506 1431 B 49 TRP HBx B 49 TRP HE1 1.0 1.903 7.859 1507 1432 B 59 LYS HGx B 49 TRP HE1 1.0 1.944 7.394 1508 1433 B 59 LYS HGy B 49 TRP HE1 1.0 1.990 6.576 1509 1434 B 72 ILE HB B 49 TRP HE1 1.0 1.995 6.401 1510 1435 B 59 LYS HBx B 49 TRP HE1 1.0 1.974 6.944 1511 1436 B 75 LEU HG B 49 TRP HE1 1.0 1.985 5.315 1512 1437 B 59 LYS HBy B 49 TRP HE1 1.0 1.997 5.671 1513 1438 B 75 LEU HD2% B 49 TRP HE1 1.0 1.715 3.267 1514 1439 B 72 ILE HG2% B 49 TRP HE1 1.0 1.737 3.361 1515 1440 B 72 ILE HG2% B 72 ILE H 1.0 1.990 5.434 1516 1441 A 23 ILE HD1% B 72 ILE H 1.0 2.000 6.004 1517 1442 A 23 ILE HG1y B 72 ILE H 1.0 1.922 4.494 1518 1443 A 25 VAL HGx% B 72 ILE H 1.0 1.904 4.346 1519 1444 A 23 ILE HB B 72 ILE H 1.0 1.935 7.509 1520 1445 A 25 VAL HB B 72 ILE H 1.0 1.914 7.740 1521 1446 A 24 VAL HA B 72 ILE H 1.0 1.937 4.637 1522 1447 A 22 SER HA B 72 ILE H 1.0 1.969 7.035 1523 1448 B 70 TYR HEx B 72 ILE H 1.0 1.994 6.450 1524 1448 B 70 TYR HEy B 72 ILE H 1.0 1.994 6.450 1525 1449 B 70 TYR HDx B 72 ILE H 1.0 2.000 6.090 1526 1449 B 70 TYR HDy B 72 ILE H 1.0 2.000 6.090 1527 1450 B 98 ARG H B 98 ARG HBx 1.0 1.983 5.277 1528 1451 B 98 ARG H B 98 ARG HBy 1.0 1.755 3.445 1529 1452 B 98 ARG H B 98 ARG HGx 1.0 1.733 3.343 1530 1453 B 98 ARG H B 98 ARG HGy 1.0 1.842 3.910 1531 1454 B 97 THR HB B 98 ARG H 1.0 1.997 6.311 1532 1455 B 99 PHE HDx B 98 ARG H 1.0 1.806 8.688 1533 1455 B 99 PHE HDy B 98 ARG H 1.0 1.806 8.688 1534 1456 B 89 GLN HE21 B 89 GLN H 1.0 1.754 9.050 1535 1457 B 36 ALA HB% B 36 ALA H 1.0 1.948 4.770 1536 1458 B 96 VAL HGy% B 96 VAL H 1.0 1.767 3.503 1537 1459 B 96 VAL HGx% B 96 VAL H 1.0 1.952 4.802 1538 1460 B 86 ILE HG1y B 96 VAL H 1.0 1.826 8.536 1539 1461 B 96 VAL HB B 96 VAL H 1.0 1.759 3.467 1540 1462 B 96 VAL H B 95 GLU HBx 1.0 1.996 6.338 1541 1463 B 95 GLU HBy B 96 VAL H 1.0 1.951 4.799 1542 1464 B 96 VAL H B 95 GLU HA 1.0 1.621 2.895 1543 1465 B 96 VAL HA B 96 VAL H 1.0 1.835 3.869 1544 1466 B 86 ILE HA B 96 VAL H 1.0 1.932 7.540 1545 1467 B 94 GLN HA B 96 VAL H 1.0 1.660 9.638 1546 1468 B 95 GLU H B 96 VAL H 1.0 1.979 6.839 1547 1469 B 48 ARG H B 85 LEU HDy% 1.0 2.000 5.990 1548 1470 B 48 ARG H B 49 TRP HBx 1.0 1.925 7.621 1549 1471 B 48 ARG H B 49 TRP HBy 1.0 1.502 10.488 1550 1472 B 95 GLU H B 95 GLU HA 1.0 1.849 3.951 1551 1473 B 95 GLU H B 95 GLU HBx 1.0 1.761 3.477 1552 1474 B 95 GLU HBy B 95 GLU H 1.0 1.982 5.270 1553 1475 B 95 GLU H B 89 GLN H 1.0 1.958 7.208 1554 1476 B 95 GLU H B 94 GLN HA 1.0 1.636 2.954 1555 1477 B 95 GLU H B 86 ILE HA 1.0 2.000 6.082 1556 1478 B 95 GLU H B 88 ILE HA 1.0 2.000 6.048 1557 1479 B 95 GLU H B 94 GLN HBy 1.0 1.946 4.740 1558 1480 B 95 GLU H B 96 VAL HGy% 1.0 1.966 4.990 1559 1481 B 88 ILE H B 46 ILE H 1.0 1.984 6.734 1560 1482 B 90 GLN HBy B 90 GLN H 1.0 1.890 4.232 1561 1483 B 90 GLN HBx B 90 GLN H 1.0 1.770 3.520 1562 1484 B 89 GLN HBy B 90 GLN H 1.0 1.796 3.648 1563 1485 B 89 GLN HBx B 90 GLN H 1.0 1.999 5.835 1564 1486 B 90 GLN HA B 90 GLN H 1.0 1.920 4.480 1565 1487 B 42 ILE HA B 90 GLN H 1.0 1.972 6.968 1566 1488 B 90 GLN H B 91 TYR H 1.0 1.999 5.835 1567 1489 B 42 ILE HD1% B 90 GLN H 1.0 1.763 8.993 1568 1490 B 93 HIS HBy B 93 HIS H 1.0 1.793 3.633 1569 1491 B 93 HIS HBx B 93 HIS H 1.0 1.754 3.442 1570 1492 B 88 ILE HG2% B 93 HIS H 1.0 1.997 6.307 1571 1493 B 89 GLN HBy B 93 HIS H 1.0 1.995 6.395 1572 1494 B 89 GLN HBx B 93 HIS H 1.0 1.908 4.376 1573 1495 B 91 TYR HBx B 93 HIS H 1.0 1.940 7.436 1574 1496 B 92 GLY HAy B 93 HIS H 1.0 1.929 4.567 1575 1497 B 92 GLY HAx B 93 HIS H 1.0 1.958 4.888 1576 1498 B 93 HIS HA B 93 HIS H 1.0 1.840 3.900 1577 1499 B 91 TYR HDy B 93 HIS H 1.0 1.590 10.036 1578 1499 B 91 TYR HDx B 93 HIS H 1.0 1.590 10.036 1579 1500 B 93 HIS H B 92 GLY H 1.0 1.862 4.040 1580 1501 B 89 GLN H B 93 HIS H 1.0 2.000 5.934 1581 1502 B 88 ILE HD1% B 93 HIS H 1.0 1.764 8.980 1582 1503 B 100 ASP H B 100 ASP HA 1.0 1.856 3.998 1583 1504 A 15 VAL HGy% B 100 ASP H 1.0 1.982 5.272 1584 1505 B 100 ASP H B 83 GLY H 1.0 1.973 6.963 1585 1506 B 100 ASP H B 101 PHE H 1.0 1.998 6.208 1586 1507 B 99 PHE HDx B 100 ASP H 1.0 1.989 5.431 1587 1507 B 99 PHE HDy B 100 ASP H 1.0 1.989 5.431 1588 1508 B 99 PHE HEx B 100 ASP H 1.0 1.918 7.700 1589 1508 B 99 PHE HEy B 100 ASP H 1.0 1.918 7.700 1590 1509 B 101 PHE HDy B 100 ASP H 1.0 1.931 7.553 1591 1509 B 101 PHE HDx B 100 ASP H 1.0 1.931 7.553 1592 1510 B 101 PHE HA B 100 ASP H 1.0 1.999 6.195 1593 1511 B 100 ASP H B 99 PHE HA 1.0 1.666 3.064 1594 1512 B 100 ASP H B 99 PHE HBx 1.0 1.661 3.047 1595 1513 B 99 PHE HBx B 99 PHE H 1.0 1.994 5.560 1596 1514 B 99 PHE HBy B 99 PHE H 1.0 1.858 4.012 1597 1515 B 96 VAL HGx% B 99 PHE H 1.0 1.879 8.087 1598 1516 B 97 THR HG2% B 99 PHE H 1.0 1.999 5.817 1599 1517 B 98 ARG HGy B 99 PHE H 1.0 1.999 6.215 1600 1518 B 98 ARG HBy B 99 PHE H 1.0 1.984 5.312 1601 1519 B 99 PHE H B 99 PHE HA 1.0 1.858 4.010 1602 1520 B 99 PHE H B 84 GLN HA 1.0 1.947 4.755 1603 1521 B 98 ARG HA B 99 PHE H 1.0 1.589 2.783 1604 1522 B 99 PHE H B 100 ASP HA 1.0 1.999 5.905 1605 1523 B 99 PHE H B 84 GLN HE22 1.0 1.941 7.423 1606 1524 B 99 PHE HEx B 99 PHE H 1.0 2.000 5.898 1607 1524 B 99 PHE HEy B 99 PHE H 1.0 2.000 5.898 1608 1525 B 99 PHE HDx B 99 PHE H 1.0 1.898 4.288 1609 1525 B 99 PHE HDy B 99 PHE H 1.0 1.898 4.288 1610 1526 B 98 ARG H B 99 PHE H 1.0 1.995 6.393 1611 1527 B 99 PHE H B 83 GLY H 1.0 1.904 4.342 1612 1528 B 99 PHE H B 84 GLN H 1.0 1.957 7.209 1613 1529 B 49 TRP HZ2 B 49 TRP H 1.0 1.769 8.953 1614 1530 B 72 ILE HD1% B 49 TRP H 1.0 1.939 7.463 1615 1531 B 71 THR HB B 70 TYR H 1.0 1.843 8.391 1616 1532 A 25 VAL HGy% B 70 TYR H 1.0 1.931 4.589 1617 1533 B 53 ASN H B 53 ASN HD21 1.0 1.983 6.751 1618 1534 B 44 LYS HBy B 44 LYS H 1.0 1.936 4.632 1619 1535 B 49 TRP H B 50 ARG H 1.0 1.998 5.744 1620 1536 B 91 TYR HDy B 91 TYR H 1.0 1.973 6.941 1621 1536 B 91 TYR HDx B 91 TYR H 1.0 1.973 6.941 1622 1537 B 91 TYR HEy B 91 TYR H 1.0 1.696 9.424 1623 1537 B 91 TYR HEx B 91 TYR H 1.0 1.696 9.424 1624 1538 B 91 TYR HA B 91 TYR H 1.0 1.956 4.862 1625 1539 B 90 GLN HA B 91 TYR H 1.0 1.977 5.167 1626 1540 B 91 TYR HBx B 91 TYR H 1.0 1.999 5.873 1627 1541 B 91 TYR HBy B 91 TYR H 1.0 1.939 4.663 1628 1542 B 90 GLN HBy B 91 TYR H 1.0 1.962 7.142 1629 1543 B 81 TYR H B 101 PHE H 1.0 1.965 4.983 1630 1544 B 81 TYR HDy B 101 PHE H 1.0 1.694 9.436 1631 1544 B 81 TYR HDx B 101 PHE H 1.0 1.694 9.436 1632 1545 B 101 PHE HDy B 101 PHE H 1.0 1.997 6.319 1633 1545 B 101 PHE HDx B 101 PHE H 1.0 1.997 6.319 1634 1546 B 82 GLU HA B 101 PHE H 1.0 2.000 5.970 1635 1547 B 101 PHE HA B 101 PHE H 1.0 1.935 4.621 1636 1548 B 81 TYR HA B 101 PHE H 1.0 1.828 8.518 1637 1549 B 101 PHE HBy B 101 PHE H 1.0 1.996 5.646 1638 1550 B 101 PHE HBx B 101 PHE H 1.0 1.985 6.699 1639 1551 B 81 TYR HBx B 101 PHE H 1.0 1.999 6.117 1640 1552 B 52 LYS HBy B 101 PHE H 1.0 1.886 8.024 1641 1553 B 52 LYS HGy B 101 PHE H 1.0 1.978 6.868 1642 1554 B 81 TYR HBy B 101 PHE H 1.0 1.981 5.235 1643 1555 B 54 SER H B 53 ASN HD21 1.0 1.855 3.993 1644 1556 B 89 GLN HBy B 89 GLN HE22 1.0 1.998 6.252 1645 1557 B 89 GLN HE21 B 89 GLN HBy 1.0 1.943 7.399 1646 1558 B 89 GLN HGy B 89 GLN HE22 1.0 1.907 4.371 1647 1559 B 89 GLN HGy B 89 GLN HE21 1.0 2.000 6.030 1648 1560 B 42 ILE HD1% B 89 GLN HE22 1.0 1.999 6.117 1649 1561 B 42 ILE HG1y B 89 GLN HE22 1.0 1.825 8.545 1650 1562 B 42 ILE HG1y B 89 GLN HE21 1.0 1.640 9.758 1651 1563 B 89 GLN HE22 B 95 GLU HBx 1.0 1.986 6.668 1652 1564 B 89 GLN HE21 B 95 GLU HBx 1.0 1.925 7.629 1653 1565 B 93 HIS HBx B 89 GLN HE22 1.0 2.000 5.868 1654 1566 B 93 HIS HBy B 89 GLN HE22 1.0 1.704 9.372 1655 1567 B 42 ILE HA B 89 GLN HE22 1.0 1.306 11.406 1656 1568 B 89 GLN HE21 B 89 GLN HE22 1.0 1.324 2.024 1657 1569 B 95 GLU H B 89 GLN HE22 1.0 1.929 7.579 1658 1570 B 89 GLN HE21 B 95 GLU H 1.0 1.859 8.259 1659 1571 B 89 GLN HE21 B 90 GLN H 1.0 1.203 11.849 1660 1572 B 68 ASN HD22 B 68 ASN HD21 1.0 1.407 2.239 1661 1573 B 68 ASN H B 68 ASN HD21 1.0 1.785 8.839 1662 1574 B 68 ASN HD22 B 68 ASN H 1.0 1.623 9.849 1663 1575 A 29 ARG H B 68 ASN HD21 1.0 1.893 7.965 1664 1576 A 29 ARG H B 68 ASN HD22 1.0 1.947 7.347 1665 1577 A 28 SER HA B 68 ASN HD21 1.0 1.999 5.817 1666 1578 A 28 SER HA B 68 ASN HD22 1.0 1.995 6.407 1667 1579 B 68 ASN HA B 68 ASN HD21 1.0 1.980 6.828 1668 1580 B 68 ASN HD22 B 68 ASN HA 1.0 1.992 6.504 1669 1581 B 68 ASN HBx B 68 ASN HD21 1.0 1.929 4.567 1670 1582 B 68 ASN HBy B 68 ASN HD21 1.0 1.995 6.415 1671 1583 B 68 ASN HBy B 68 ASN HD22 1.0 1.993 5.529 1672 1584 A 29 ARG HBy B 68 ASN HD22 1.0 1.248 11.658 1673 1585 A 29 ARG HBy B 68 ASN HD21 1.0 1.634 9.788 1674 1586 B 90 GLN HBy B 90 GLN HE21 1.0 1.996 5.642 1675 1587 B 90 GLN HE21 B 90 GLN HGx 1.0 1.921 4.495 1676 1588 B 90 GLN HE22 B 90 GLN HGx 1.0 2.000 5.902 1677 1589 B 37 PRO HBy B 90 GLN HE21 1.0 1.639 9.761 1678 1590 B 37 PRO HBy B 90 GLN HE22 1.0 1.961 7.165 1679 1591 B 91 TYR HBy B 90 GLN HE21 1.0 1.754 9.048 1680 1592 B 91 TYR HBy B 90 GLN HE22 1.0 1.484 10.582 1681 1593 B 39 PRO HDx B 90 GLN HE21 1.0 1.591 10.025 1682 1594 B 90 GLN HA B 90 GLN HE22 1.0 1.275 11.543 1683 1595 B 90 GLN HE22 B 39 PRO HDx 1.0 1.576 10.106 1684 1596 B 90 GLN HA B 90 GLN HE21 1.0 1.344 11.238 1685 1597 B 90 GLN HE22 B 39 PRO HA 1.0 1.921 7.669 1686 1598 B 90 GLN HE22 B 90 GLN HE21 1.0 1.261 1.875 1687 1599 B 57 ARG H B 56 GLY H 1.0 1.988 6.646 1688 1600 B 84 GLN HE21 B 58 TRP HZ2 1.0 1.998 6.264 1689 1601 B 84 GLN HE22 B 84 GLN HE21 1.0 1.485 2.453 1690 1602 B 84 GLN HE22 B 84 GLN HG3 1.0 1.867 4.069 1691 1603 B 96 VAL HGx% B 84 GLN HE22 1.0 1.820 8.582 1692 1604 B 96 VAL HGx% B 84 GLN HE21 1.0 1.991 6.541 1693 1605 B 88 ILE HD1% B 94 GLN HE21 1.0 1.774 3.536 1694 1606 B 88 ILE HG2% B 94 GLN HE21 1.0 1.938 4.658 1695 1607 B 88 ILE HD1% B 94 GLN HE22 1.0 1.989 5.423 1696 1608 B 88 ILE HG2% B 94 GLN HE22 1.0 1.995 5.601 1697 1609 B 88 ILE HG1y B 94 GLN HE21 1.0 1.981 6.809 1698 1610 B 88 ILE HG1x B 94 GLN HE21 1.0 1.893 7.961 1699 1611 B 94 GLN HBy B 94 GLN HE21 1.0 1.997 6.349 1700 1612 B 94 GLN HBx B 94 GLN HE21 1.0 1.936 7.492 1701 1613 B 94 GLN HBx B 94 GLN HE22 1.0 1.909 7.799 1702 1614 B 94 GLN HGy B 94 GLN HE21 1.0 1.883 4.187 1703 1615 B 94 GLN HGy B 94 GLN HE22 1.0 1.989 6.617 1704 1616 B 94 GLN HGx B 94 GLN HE21 1.0 1.759 3.465 1705 1617 B 94 GLN HGx B 94 GLN HE22 1.0 2.000 6.044 1706 1618 B 94 GLN HE22 B 94 GLN HE21 1.0 1.280 1.920 1707 1619 B 49 TRP HBx B 83 GLY H 1.0 1.704 9.368 1708 1620 B 81 TYR HA B 83 GLY H 1.0 1.445 10.771 1709 1621 B 63 ILE HD1% B 69 SER H 1.0 1.968 7.042 1710 1622 B 63 ILE HB B 69 SER H 1.0 1.981 6.799 1711 1623 B 70 TYR HBx B 69 SER H 1.0 1.897 7.913 1712 1624 A 21 THR HG2% B 74 GLY H 1.0 1.990 5.440 1713 1625 A 22 SER H B 74 GLY H 1.0 1.841 8.417 1714 1626 B 90 GLN H B 92 GLY H 1.0 1.988 6.614 1715 1627 B 91 TYR H B 92 GLY H 1.0 1.934 4.616 1716 1628 B 91 TYR HDy B 92 GLY H 1.0 1.895 7.943 1717 1628 B 91 TYR HDx B 92 GLY H 1.0 1.895 7.943 1718 1629 B 91 TYR HA B 92 GLY H 1.0 1.892 4.246 1719 1630 B 93 HIS HA B 92 GLY H 1.0 1.873 8.143 1720 1631 B 92 GLY HAx B 92 GLY H 1.0 1.733 3.343 1721 1632 B 90 GLN HA B 92 GLY H 1.0 1.991 5.469 1722 1633 B 92 GLY HAy B 92 GLY H 1.0 1.865 4.051 1723 1634 B 91 TYR HBx B 92 GLY H 1.0 2.000 5.990 1724 1635 B 91 TYR HBy B 92 GLY H 1.0 1.987 5.369 1725 1636 B 93 HIS HBx B 92 GLY H 1.0 1.909 7.795 1726 1637 B 89 GLN HBx B 92 GLY H 1.0 1.986 5.342 1727 1638 B 89 GLN HBy B 92 GLY H 1.0 1.987 6.659 1728 1639 B 90 GLN HBx B 92 GLY H 1.0 1.829 8.509 1729 1640 B 90 GLN HBy B 92 GLY H 1.0 1.813 8.627 1730 1641 B 88 ILE HG2% B 92 GLY H 1.0 1.958 4.882 1731 1642 B 50 ARG HBy B 50 ARG HE 1.0 1.984 6.718 1732 1643 B 50 ARG HBx B 50 ARG HE 1.0 1.830 3.838 1733 1644 B 82 GLU HBx B 50 ARG HE 1.0 1.837 3.877 1734 1645 B 82 GLU HBy B 50 ARG HE 1.0 1.999 6.149 1735 1646 B 50 ARG HDy B 50 ARG HE 1.0 1.997 5.725 1736 1647 B 54 SER HBy B 50 ARG HE 1.0 1.949 7.337 1737 1648 B 52 LYS HA B 50 ARG HE 1.0 1.961 4.925 1738 1649 B 55 VAL HA B 50 ARG HE 1.0 1.957 7.225 1739 1650 B 50 ARG HA B 50 ARG HE 1.0 1.742 9.132 1740 1651 B 58 TRP HZ2 B 50 ARG HE 1.0 1.966 4.984 1741 1652 B 50 ARG H B 50 ARG HE 1.0 1.874 8.136 1742 1653 B 59 LYS H B 50 ARG HE 1.0 0.931 12.917 1743 1654 B 45 TYR HDy B 45 TYR HA 1.0 1.999 5.767 1744 1654 B 45 TYR HDx B 45 TYR HA 1.0 1.999 5.767 1745 1655 B 45 TYR HEx B 45 TYR HDy 1.0 1.907 4.369 1746 1655 B 45 TYR HEy B 45 TYR HDy 1.0 1.907 4.369 1747 1655 B 45 TYR HEy B 45 TYR HDx 1.0 1.907 4.369 1748 1655 B 45 TYR HEx B 45 TYR HDx 1.0 1.907 4.369 1749 1656 B 70 TYR HDx B 70 TYR HEy 1.0 1.835 3.863 1750 1656 B 70 TYR HDx B 70 TYR HEx 1.0 1.835 3.863 1751 1656 B 70 TYR HDy B 70 TYR HEx 1.0 1.835 3.863 1752 1656 B 70 TYR HDy B 70 TYR HEy 1.0 1.835 3.863 1753 1657 B 91 TYR HDy B 91 TYR HEy 1.0 1.729 3.329 1754 1657 B 91 TYR HDy B 91 TYR HEx 1.0 1.729 3.329 1755 1657 B 91 TYR HDx B 91 TYR HEy 1.0 1.729 3.329 1756 1657 B 91 TYR HDx B 91 TYR HEx 1.0 1.729 3.329 1757 1658 B 101 PHE HDy B 101 PHE HEy 1.0 1.933 4.607 1758 1658 B 101 PHE HDy B 101 PHE HEx 1.0 1.933 4.607 1759 1658 B 101 PHE HDx B 101 PHE HEy 1.0 1.933 4.607 1760 1658 B 101 PHE HDx B 101 PHE HEx 1.0 1.933 4.607 1761 1659 B 99 PHE HEx B 99 PHE HDy 1.0 1.894 4.262 1762 1659 B 99 PHE HEx B 99 PHE HDx 1.0 1.894 4.262 1763 1659 B 99 PHE HEy B 99 PHE HDx 1.0 1.894 4.262 1764 1659 B 99 PHE HEy B 99 PHE HDy 1.0 1.894 4.262 1765 1660 B 101 PHE HDy B 81 TYR HDx 1.0 1.918 4.462 1766 1660 B 101 PHE HDy B 81 TYR HDy 1.0 1.918 4.462 1767 1660 B 101 PHE HDx B 81 TYR HDy 1.0 1.918 4.462 1768 1660 B 101 PHE HDx B 81 TYR HDx 1.0 1.918 4.462 1769 1661 B 49 TRP HD1 B 81 TYR HDy 1.0 1.982 6.784 1770 1661 B 49 TRP HD1 B 81 TYR HDx 1.0 1.982 6.784 1771 1662 B 49 TRP HH2 B 49 TRP HZ2 1.0 1.813 3.743 1772 1663 B 58 TRP HZ2 B 58 TRP HH2 1.0 1.826 3.812 1773 1664 B 49 TRP HZ3 B 49 TRP HH2 1.0 1.852 3.968 1774 1665 B 58 TRP HZ3 B 58 TRP HE3 1.0 1.934 4.608 1775 1666 B 58 TRP HE3 B 58 TRP HA 1.0 1.999 5.865 1776 1667 B 58 TRP HE3 B 58 TRP HBx 1.0 1.760 9.012 1777 1668 B 49 TRP HH2 B 70 TYR HEx 1.0 1.993 5.523 1778 1668 B 49 TRP HH2 B 70 TYR HEy 1.0 1.993 5.523 1779 1669 B 87 SER HA B 45 TYR HDy 1.0 2.000 5.932 1780 1669 B 87 SER HA B 45 TYR HDx 1.0 2.000 5.932 1781 1670 B 45 TYR HDy B 45 TYR HBy 1.0 1.960 4.914 1782 1670 B 45 TYR HDx B 45 TYR HBy 1.0 1.960 4.914 1783 1671 B 70 TYR HDx B 71 THR HA 1.0 1.958 7.214 1784 1671 B 70 TYR HDy B 71 THR HA 1.0 1.958 7.214 1785 1672 B 70 TYR HDx B 72 ILE HG1y 1.0 1.956 4.856 1786 1672 B 70 TYR HDy B 72 ILE HG1y 1.0 1.956 4.856 1787 1673 B 70 TYR HDx B 72 ILE HG1x 1.0 1.973 5.099 1788 1673 B 70 TYR HDy B 72 ILE HG1x 1.0 1.973 5.099 1789 1674 B 91 TYR HBy B 91 TYR HDy 1.0 1.924 4.514 1790 1674 B 91 TYR HBy B 91 TYR HDx 1.0 1.924 4.514 1791 1675 B 90 GLN HBx B 91 TYR HDy 1.0 1.987 6.641 1792 1675 B 90 GLN HBx B 91 TYR HDx 1.0 1.987 6.641 1793 1676 B 89 GLN HBy B 91 TYR HDy 1.0 1.962 7.150 1794 1676 B 89 GLN HBy B 91 TYR HDx 1.0 1.962 7.150 1795 1677 B 91 TYR HDy B 90 GLN HE21 1.0 1.956 4.856 1796 1677 B 91 TYR HDx B 90 GLN HE21 1.0 1.956 4.856 1797 1678 B 99 PHE HDx B 99 PHE HBx 1.0 1.919 4.469 1798 1678 B 99 PHE HDy B 99 PHE HBx 1.0 1.919 4.469 1799 1679 B 99 PHE HDx B 99 PHE HBy 1.0 1.920 4.484 1800 1679 B 99 PHE HDy B 99 PHE HBy 1.0 1.920 4.484 1801 1680 B 99 PHE HDx B 98 ARG HA 1.0 1.994 6.438 1802 1680 B 99 PHE HDy B 98 ARG HA 1.0 1.994 6.438 1803 1681 B 101 PHE HBy B 81 TYR HDy 1.0 1.984 6.742 1804 1681 B 101 PHE HBy B 81 TYR HDx 1.0 1.984 6.742 1805 1682 B 99 PHE HDx A 13 PRO HGy 1.0 2.000 5.870 1806 1682 B 99 PHE HDy A 13 PRO HGy 1.0 2.000 5.870 1807 1683 B 101 PHE HDy B 81 TYR H 1.0 1.901 7.877 1808 1683 B 101 PHE HDx B 81 TYR H 1.0 1.901 7.877 1809 1684 B 101 PHE HDy B 100 ASP HA 1.0 1.745 9.113 1810 1684 B 101 PHE HDx B 100 ASP HA 1.0 1.745 9.113 1811 1685 B 101 PHE HBx B 101 PHE HDy 1.0 1.979 5.197 1812 1685 B 101 PHE HBx B 101 PHE HDx 1.0 1.979 5.197 1813 1686 A 15 VAL HGx% B 101 PHE HDx 1.0 1.948 4.770 1814 1686 A 15 VAL HGx% B 101 PHE HDy 1.0 1.948 4.770 1815 1687 B 101 PHE HDy B 75 LEU HD1% 1.0 1.930 4.582 1816 1687 B 101 PHE HDx B 75 LEU HD1% 1.0 1.930 4.582 1817 1688 B 75 LEU HD1% B 101 PHE HEx 1.0 1.991 5.475 1818 1688 B 75 LEU HD1% B 101 PHE HEy 1.0 1.991 5.475 1819 1689 B 75 LEU HG B 101 PHE HEy 1.0 1.958 7.204 1820 1689 B 75 LEU HG B 101 PHE HEx 1.0 1.958 7.204 1821 1690 A 25 VAL HGx% B 99 PHE HEy 1.0 1.998 5.754 1822 1690 A 25 VAL HGx% B 99 PHE HEx 1.0 1.998 5.754 1823 1691 B 57 ARG HBy B 58 TRP HD1 1.0 1.499 10.503 1824 1692 B 57 ARG HBx B 58 TRP HD1 1.0 1.816 8.610 1825 1693 B 58 TRP HD1 B 58 TRP HBy 1.0 1.913 7.755 1826 1694 B 58 TRP HD1 B 58 TRP HE1 1.0 1.898 4.298 1827 1695 B 49 TRP HD1 B 75 LEU HD2% 1.0 1.922 4.500 1828 1696 B 49 TRP HA B 49 TRP HD1 1.0 1.957 7.213 1829 1697 B 82 GLU HGx B 58 TRP HH2 1.0 1.998 6.264 1830 1698 B 82 GLU HBy B 58 TRP HH2 1.0 1.991 5.477 1831 1699 B 82 GLU HBx B 58 TRP HH2 1.0 1.978 5.184 1832 1700 B 58 TRP HE1 B 58 TRP HZ2 1.0 1.982 5.258 1833 1701 B 58 TRP HZ3 B 58 TRP HBy 1.0 1.585 10.063 1834 1702 B 58 TRP HZ3 B 82 GLU HBy 1.0 1.997 6.315 1835 1703 B 58 TRP HZ3 B 82 GLU HGx 1.0 1.850 8.342 1836 1704 B 90 GLN HE21 B 91 TYR HEy 1.0 1.989 5.405 1837 1704 B 90 GLN HE21 B 91 TYR HEx 1.0 1.989 5.405 1838 1705 B 93 HIS HBx B 91 TYR HEy 1.0 1.972 6.974 1839 1705 B 93 HIS HBx B 91 TYR HEx 1.0 1.972 6.974 1840 1706 B 90 GLN HBx B 91 TYR HEy 1.0 1.996 6.370 1841 1706 B 90 GLN HBx B 91 TYR HEx 1.0 1.996 6.370 1842 1707 B 42 ILE HD1% B 45 TYR HEx 1.0 1.932 4.596 1843 1707 B 42 ILE HD1% B 45 TYR HEy 1.0 1.932 4.596 1844 1708 B 42 ILE HG1x B 45 TYR HEy 1.0 1.996 5.640 1845 1708 B 42 ILE HG1x B 45 TYR HEx 1.0 1.996 5.640 1846 1709 B 45 TYR HEy B 67 LEU HBx 1.0 1.997 5.683 1847 1709 B 45 TYR HEx B 67 LEU HBx 1.0 1.997 5.683 1848 1710 B 45 TYR HEy B 65 GLY HAx 1.0 1.948 4.756 1849 1710 B 45 TYR HEx B 65 GLY HAx 1.0 1.948 4.756 1850 1711 B 45 TYR HEy B 66 HIS H 1.0 1.986 6.672 1851 1711 B 45 TYR HEx B 66 HIS H 1.0 1.986 6.672 1852 1712 B 70 TYR HA B 70 TYR HEx 1.0 1.875 8.127 1853 1712 B 70 TYR HA B 70 TYR HEy 1.0 1.875 8.127 1854 1713 B 70 TYR HBy B 70 TYR HEx 1.0 1.964 7.108 1855 1713 B 70 TYR HBy B 70 TYR HEy 1.0 1.964 7.108 1856 1714 B 91 TYR HBy B 91 TYR HEy 1.0 1.999 6.115 1857 1714 B 91 TYR HBy B 91 TYR HEx 1.0 1.999 6.115 1858 1715 B 47 LEU HG B 70 TYR HEx 1.0 1.993 5.525 1859 1715 B 47 LEU HG B 70 TYR HEy 1.0 1.993 5.525 1860 1716 A 25 VAL HGx% A 25 VAL H 1.0 1.538 2.616 1861 1717 A 25 VAL HB A 25 VAL H 1.0 1.804 3.692 1862 1718 A 24 VAL HA A 25 VAL H 1.0 1.599 2.817 1863 1719 A 27 TRP HD1 A 27 TRP HE1 1.0 1.702 3.208 1864 1720 A 27 TRP HZ2 A 27 TRP HE1 1.0 1.791 3.621 1865 1721 B 45 TYR HEy A 27 TRP HE1 1.0 1.898 4.296 1866 1721 B 45 TYR HEx A 27 TRP HE1 1.0 1.898 4.296 1867 1722 B 68 ASN HA A 27 TRP HE1 1.0 1.780 3.568 1868 1723 A 16 ASP HBx A 16 ASP H 1.0 1.777 3.553 1869 1724 A 16 ASP HBy A 16 ASP H 1.0 1.999 5.807 1870 1725 A 16 ASP HA A 16 ASP H 1.0 1.867 4.071 1871 1726 A 24 VAL H A 16 ASP H 1.0 1.832 3.854 1872 1727 A 15 VAL HA A 16 ASP H 1.0 1.635 2.949 1873 1728 A 25 VAL HA A 16 ASP H 1.0 1.968 5.016 1874 1729 A 15 VAL HB A 16 ASP H 1.0 1.995 5.605 1875 1730 A 15 VAL HGx% A 16 ASP H 1.0 1.750 3.422 1876 1731 A 15 VAL HGy% A 16 ASP H 1.0 1.978 5.170 1877 1732 A 9 ALA HB% A 9 ALA H 1.0 1.438 2.322 1878 1733 A 9 ALA H A 10 PRO HDx 1.0 1.979 6.843 1879 1734 A 9 ALA H A 10 PRO HDy 1.0 1.998 6.254 1880 1735 A 26 ARG H A 26 ARG HG2 1.0 1.814 3.748 1881 1736 A 26 ARG H A 26 ARG HBx 1.0 1.814 3.750 1882 1737 A 26 ARG H A 25 VAL HA 1.0 1.542 2.628 1883 1738 A 26 ARG H A 14 THR H 1.0 1.897 4.293 1884 1739 A 26 ARG H A 15 VAL HA 1.0 1.942 4.688 1885 1740 A 26 ARG H A 25 VAL HB 1.0 1.982 6.768 1886 1741 A 26 ARG H A 25 VAL HGy% 1.0 1.755 3.445 1887 1742 A 26 ARG H A 27 TRP HE3 1.0 1.995 5.573 1888 1743 A 29 ARG HBx A 29 ARG H 1.0 1.592 2.792 1889 1744 A 29 ARG HBy A 29 ARG H 1.0 1.989 5.421 1890 1745 A 29 ARG HA A 29 ARG H 1.0 1.624 2.906 1891 1746 A 29 ARG H A 28 SER H 1.0 1.989 6.587 1892 1747 A 28 SER HA A 29 ARG H 1.0 1.503 2.509 1893 1748 A 24 VAL H A 24 VAL HGx% 1.0 1.972 5.072 1894 1749 A 26 ARG HA A 26 ARG HE 1.0 1.997 6.309 1895 1750 A 14 THR HG2% A 15 VAL H 1.0 1.808 3.710 1896 1751 A 15 VAL H A 15 VAL HB 1.0 1.773 3.533 1897 1752 A 14 THR HB A 15 VAL H 1.0 1.872 4.106 1898 1753 A 15 VAL HA A 15 VAL H 1.0 1.923 4.503 1899 1754 A 12 ASP H A 12 ASP HA 1.0 1.919 4.469 1900 1755 A 26 ARG HBy A 27 TRP H 1.0 1.749 3.415 1901 1756 B 68 ASN HBy A 27 TRP H 1.0 1.988 6.630 1902 1757 B 68 ASN HBx A 27 TRP H 1.0 1.894 4.264 1903 1758 A 27 TRP HBy A 27 TRP H 1.0 1.963 4.955 1904 1759 A 27 TRP HBx A 27 TRP H 1.0 1.997 5.691 1905 1760 B 69 SER HA A 27 TRP H 1.0 1.955 4.857 1906 1761 A 26 ARG HA A 27 TRP H 1.0 1.611 2.861 1907 1762 A 27 TRP HA A 27 TRP H 1.0 1.847 3.943 1908 1763 A 27 TRP HE3 A 27 TRP H 1.0 1.893 4.261 1909 1764 A 27 TRP H A 28 SER H 1.0 1.998 5.744 1910 1765 A 25 VAL HGy% A 27 TRP H 1.0 2.000 5.860 1911 1766 A 14 THR H A 14 THR HB 1.0 1.884 4.188 1912 1767 A 14 THR H A 14 THR HG2% 1.0 1.946 4.742 1913 1768 A 14 THR H A 13 PRO HBx 1.0 1.972 5.076 1914 1769 A 14 THR H A 13 PRO HBy 1.0 1.974 5.116 1915 1770 A 13 PRO HA A 14 THR H 1.0 1.681 3.123 1916 1771 A 27 TRP HA A 14 THR H 1.0 1.996 5.612 1917 1772 A 14 THR H A 15 VAL H 1.0 1.961 7.165 1918 1773 A 25 VAL HA A 14 THR H 1.0 2.000 5.922 1919 1774 B 75 LEU HG A 22 SER H 1.0 2.000 6.060 1920 1775 A 22 SER HBx A 22 SER H 1.0 1.920 4.480 1921 1776 A 22 SER HBy A 22 SER H 1.0 1.997 5.709 1922 1777 A 21 THR HA A 22 SER H 1.0 1.825 3.809 1923 1778 A 22 SER HA A 22 SER H 1.0 1.858 4.008 1924 1779 A 21 THR H A 22 SER H 1.0 1.680 3.120 1925 1780 A 22 SER H A 20 ASP H 1.0 1.992 5.502 1926 1781 A 27 TRP HBy A 28 SER H 1.0 1.930 7.570 1927 1782 A 27 TRP HBx A 28 SER H 1.0 1.958 4.882 1928 1783 A 28 SER HA A 28 SER H 1.0 1.936 4.636 1929 1784 A 27 TRP HA A 28 SER H 1.0 1.838 3.882 1930 1785 A 27 TRP HD1 A 28 SER H 1.0 1.966 7.076 1931 1786 A 21 THR HG2% A 20 ASP H 1.0 2.000 5.972 1932 1787 A 19 ASP HBx A 20 ASP H 1.0 1.884 4.188 1933 1788 A 19 ASP HBy A 20 ASP H 1.0 1.550 2.654 1934 1789 A 20 ASP H A 20 ASP HA 1.0 1.866 4.062 1935 1790 A 19 ASP HA A 20 ASP H 1.0 1.796 3.648 1936 1791 A 21 THR H A 20 ASP H 1.0 1.860 4.028 1937 1792 A 16 ASP HBy A 17 GLN HE21 1.0 1.981 5.249 1938 1793 A 17 GLN HE21 A 17 GLN HE22 1.0 1.360 2.116 1939 1794 A 27 TRP HA A 27 TRP HD1 1.0 1.999 5.789 1940 1794 A 27 TRP HA A 27 TRP HE3 1.0 1.999 5.789 1941 1795 A 23 ILE HA A 15 VAL HGx% 1.0 1.826 3.820 1942 1795 A 24 VAL HGy% A 23 ILE HA 1.0 1.826 3.820 1943 1796 A 12 ASP HA A 12 ASP HB2 1.0 1.882 4.176 1944 1796 A 12 ASP HB3 A 12 ASP HA 1.0 1.882 4.176 1945 1797 A 20 ASP HA A 20 ASP HB2 1.0 1.803 3.687 1946 1797 A 20 ASP HA A 20 ASP HB3 1.0 1.803 3.687 1947 1798 A 28 SER HA A 28 SER HB2 1.0 1.696 3.184 1948 1798 A 28 SER HA A 28 SER HB3 1.0 1.696 3.184 1949 1799 A 15 VAL HA A 15 VAL HGx% 1.0 1.665 3.063 1950 1799 A 15 VAL HA A 15 VAL HGy% 1.0 1.665 3.063 1951 1800 A 26 ARG H A 15 VAL HA 1.0 1.986 5.352 1952 1800 A 15 VAL HA A 25 VAL H 1.0 1.986 5.352 1953 1801 A 13 PRO HA A 13 PRO HGx 1.0 1.988 5.388 1954 1801 A 13 PRO HA A 13 PRO HGy 1.0 1.988 5.388 1955 1802 A 10 PRO HA A 10 PRO HG2 1.0 1.843 3.915 1956 1802 A 10 PRO HA A 10 PRO HG3 1.0 1.843 3.915 1957 1803 A 29 ARG H A 28 SER HB2 1.0 1.986 5.346 1958 1803 A 29 ARG H A 28 SER HB3 1.0 1.986 5.346 1959 1804 A 30 PRO HA A 30 PRO HG2 1.0 1.916 4.446 1960 1804 A 30 PRO HA A 30 PRO HG3 1.0 1.916 4.446 1961 1805 A 22 SER HBy B 73 LYS HBy 1.0 1.879 8.091 1962 1805 A 22 SER HBy B 73 LYS HDy 1.0 1.879 8.091 1963 1806 A 22 SER HBx B 73 LYS HG2 1.0 1.887 4.213 1964 1806 A 22 SER HBx B 73 LYS HG3 1.0 1.887 4.213 1965 1807 A 22 SER HBx B 73 LYS HDy 1.0 1.883 8.057 1966 1807 A 22 SER HBx B 73 LYS HBy 1.0 1.883 8.057 1967 1808 A 22 SER HBy B 73 LYS HDx 1.0 1.977 6.883 1968 1808 A 22 SER HBy B 73 LYS HBx 1.0 1.977 6.883 1969 1809 A 22 SER HBx B 73 LYS HDx 1.0 1.998 5.786 1970 1809 A 22 SER HBx B 73 LYS HBx 1.0 1.998 5.786 1971 1810 A 30 PRO HDy A 29 ARG HG2 1.0 1.983 5.295 1972 1810 A 29 ARG HBx A 30 PRO HDy 1.0 1.983 5.295 1973 1811 A 30 PRO HDx A 29 ARG HG2 1.0 1.977 6.877 1974 1811 A 30 PRO HDx A 29 ARG HG3 1.0 1.977 6.877 1975 1811 A 29 ARG HBx A 30 PRO HDx 1.0 1.977 6.877 1976 1812 A 30 PRO HDy A 30 PRO HG3 1.0 1.530 2.592 1977 1812 A 30 PRO HDy A 30 PRO HG2 1.0 1.530 2.592 1978 1813 A 29 ARG HBx A 29 ARG HD2 1.0 1.959 4.889 1979 1813 A 29 ARG HBx A 29 ARG HD3 1.0 1.959 4.889 1980 1814 A 29 ARG HBy A 28 SER HB2 1.0 1.990 5.460 1981 1814 A 29 ARG HBy B 40 SER HB3 1.0 1.990 5.460 1982 1814 A 29 ARG HBy A 28 SER HB3 1.0 1.990 5.460 1983 1814 A 29 ARG HBy A 10 PRO HDy 1.0 1.990 5.460 1984 1815 A 29 ARG HG3 A 29 ARG HD2 1.0 1.692 3.170 1985 1815 A 29 ARG HG2 A 29 ARG HD3 1.0 1.692 3.170 1986 1815 A 29 ARG HG2 A 29 ARG HD2 1.0 1.692 3.170 1987 1816 A 30 PRO HDy A 29 ARG HG2 1.0 2.000 6.036 1988 1816 A 30 PRO HDy A 29 ARG HG3 1.0 2.000 6.036 1989 1817 A 30 PRO HDx A 29 ARG HG3 1.0 1.841 8.417 1990 1817 A 30 PRO HDx A 29 ARG HG2 1.0 1.841 8.417 1991 1818 A 29 ARG HA A 29 ARG HG3 1.0 1.923 4.515 1992 1818 A 29 ARG HA A 29 ARG HG2 1.0 1.923 4.515 1993 1819 A 30 PRO HDy A 29 ARG HD2 1.0 1.958 4.884 1994 1819 A 30 PRO HDy A 29 ARG HD3 1.0 1.958 4.884 1995 1820 A 29 ARG HA A 29 ARG HD3 1.0 1.728 3.320 1996 1820 A 29 ARG HA A 29 ARG HD2 1.0 1.728 3.320 1997 1821 A 29 ARG HBy A 29 ARG HG3 1.0 1.655 3.025 1998 1821 A 29 ARG HBy A 29 ARG HG2 1.0 1.655 3.025 1999 1822 A 29 ARG HG3 A 29 ARG HD2 1.0 1.625 2.911 2000 1822 A 29 ARG HG2 A 29 ARG HD2 1.0 1.625 2.911 2001 1822 A 29 ARG HG3 A 29 ARG HD3 1.0 1.625 2.911 2002 1822 A 29 ARG HG2 A 29 ARG HD3 1.0 1.625 2.911 2003 1823 A 29 ARG HBy A 29 ARG HD2 1.0 1.840 3.900 2004 1823 A 29 ARG HBy A 29 ARG HD3 1.0 1.840 3.900 2005 1824 A 29 ARG H A 29 ARG HG3 1.0 1.967 5.003 2006 1824 A 29 ARG H A 29 ARG HG2 1.0 1.967 5.003 2007 1825 A 26 ARG HBy A 27 TRP H 1.0 1.868 4.078 2008 1825 A 26 ARG HBy A 26 ARG HE 1.0 1.868 4.078 2009 1826 A 26 ARG HBx A 27 TRP H 1.0 1.997 5.677 2010 1826 A 26 ARG HBx A 26 ARG HE 1.0 1.997 5.677 2011 1827 A 26 ARG HE A 26 ARG HD3 1.0 1.981 5.251 2012 1827 A 26 ARG HE A 26 ARG HD2 1.0 1.981 5.251 2013 1828 B 69 SER HBy A 26 ARG HD2 1.0 2.000 5.940 2014 1828 B 69 SER HBx A 26 ARG HD3 1.0 2.000 5.940 2015 1828 B 69 SER HBy A 26 ARG HD3 1.0 2.000 5.940 2016 1829 A 26 ARG HG3 B 69 SER HBx 1.0 1.842 3.906 2017 1829 A 26 ARG HG3 B 69 SER HBy 1.0 1.842 3.906 2018 1830 A 26 ARG HBy B 69 SER HBx 1.0 1.996 6.374 2019 1830 A 26 ARG HBy B 69 SER HBy 1.0 1.996 6.374 2020 1831 A 26 ARG HBy A 26 ARG HD3 1.0 1.861 4.031 2021 1831 A 26 ARG HBy A 26 ARG HD2 1.0 1.861 4.031 2022 1832 A 26 ARG HBx A 26 ARG HD2 1.0 1.818 3.768 2023 1832 A 26 ARG HBx A 26 ARG HD3 1.0 1.818 3.768 2024 1833 A 26 ARG HBx A 26 ARG HD2 1.0 1.708 3.234 2025 1833 A 26 ARG HBx A 26 ARG HD3 1.0 1.708 3.234 2026 1833 A 26 ARG HBy A 26 ARG HD2 1.0 1.708 3.234 2027 1834 A 26 ARG HG2 A 26 ARG HD2 1.0 1.603 2.831 2028 1834 A 26 ARG HG2 A 26 ARG HD3 1.0 1.603 2.831 2029 1834 A 26 ARG HG3 A 26 ARG HD3 1.0 1.603 2.831 2030 1835 A 24 VAL HGx% A 26 ARG HD3 1.0 1.909 4.383 2031 1835 A 24 VAL HGx% A 26 ARG HD2 1.0 1.909 4.383 2032 1836 A 26 ARG HBy A 26 ARG HG3 1.0 1.657 3.029 2033 1836 A 26 ARG HBy A 26 ARG HG2 1.0 1.657 3.029 2034 1837 A 26 ARG HBx A 26 ARG HG2 1.0 1.682 3.130 2035 1837 A 26 ARG HBx A 26 ARG HG3 1.0 1.682 3.130 2036 1838 A 26 ARG H A 25 VAL HGy% 1.0 1.778 3.556 2037 1838 A 25 VAL HGy% A 25 VAL H 1.0 1.778 3.556 2038 1839 A 25 VAL HGy% B 99 PHE HEx 1.0 1.760 3.470 2039 1839 A 25 VAL HGy% B 99 PHE HEy 1.0 1.760 3.470 2040 1839 A 25 VAL HGy% B 99 PHE HZ 1.0 1.760 3.470 2041 1840 A 24 VAL HGy% B 71 THR HB 1.0 1.947 4.747 2042 1840 A 24 VAL HGy% A 22 SER HBy 1.0 1.947 4.747 2043 1841 A 24 VAL HGx% B 69 SER HBy 1.0 1.862 4.036 2044 1841 A 24 VAL HGx% B 69 SER HBx 1.0 1.862 4.036 2045 1842 A 25 VAL HB A 15 VAL HGy% 1.0 1.513 2.539 2046 1842 A 15 VAL HGy% A 15 VAL HB 1.0 1.513 2.539 2047 1843 A 15 VAL HGy% A 25 VAL H 1.0 1.991 5.483 2048 1843 A 26 ARG H A 15 VAL HGy% 1.0 1.991 5.483 2049 1844 A 24 VAL HGx% A 25 VAL H 1.0 1.809 3.717 2050 1844 A 26 ARG H A 24 VAL HGx% 1.0 1.809 3.717 2051 1845 A 14 THR HG2% A 15 VAL H 1.0 1.779 3.559 2052 1845 A 21 THR HG2% A 21 THR H 1.0 1.779 3.559 2053 1846 A 21 THR HG2% A 20 ASP HB2 1.0 1.841 3.907 2054 1846 A 21 THR HG2% A 20 ASP HB3 1.0 1.841 3.907 2055 1847 A 13 PRO HDy A 13 PRO HGx 1.0 1.874 4.120 2056 1847 A 13 PRO HGx A 13 PRO HDx 1.0 1.874 4.120 2057 1848 A 30 PRO HDx A 30 PRO HG2 1.0 1.571 2.723 2058 1848 A 30 PRO HDx A 30 PRO HG3 1.0 1.571 2.723 2059 1849 A 30 PRO HG2 A 29 ARG H 1.0 1.860 8.254 2060 1849 A 29 ARG H A 30 PRO HG3 1.0 1.860 8.254 2061 1849 A 29 ARG H A 10 PRO HG2 1.0 1.860 8.254 2062 1849 A 29 ARG H A 10 PRO HG3 1.0 1.860 8.254 2063 1850 B 45 TYR HEy A 10 PRO HG2 1.0 1.981 6.789 2064 1850 A 30 PRO HG2 B 89 GLN HE21 1.0 1.981 6.789 2065 1850 B 45 TYR HEy A 10 PRO HG3 1.0 1.981 6.789 2066 1850 B 45 TYR HEx A 10 PRO HG3 1.0 1.981 6.789 2067 1850 B 45 TYR HEx A 10 PRO HG2 1.0 1.981 6.789 2068 1851 B 85 LEU HG A 10 PRO HG2 1.0 1.906 4.358 2069 1851 B 85 LEU HG A 10 PRO HG3 1.0 1.906 4.358 2070 1852 B 45 TYR HDx A 10 PRO HG2 1.0 1.960 7.170 2071 1852 B 45 TYR HDy A 10 PRO HG2 1.0 1.960 7.170 2072 1852 B 45 TYR HDy A 10 PRO HG3 1.0 1.960 7.170 2073 1852 B 45 TYR HDx A 10 PRO HG3 1.0 1.960 7.170 2074 1853 A 26 ARG HBy A 26 ARG HG3 1.0 1.627 2.921 2075 1853 A 26 ARG HBx A 26 ARG HG3 1.0 1.627 2.921 2076 1853 A 26 ARG HBx A 26 ARG HG2 1.0 1.627 2.921 2077 1854 A 13 PRO HBy A 13 PRO HGy 1.0 1.807 3.705 2078 1854 A 13 PRO HBy A 13 PRO HGx 1.0 1.807 3.705 2079 1855 A 13 PRO HBx A 13 PRO HGy 1.0 1.819 3.779 2080 1855 A 13 PRO HBx A 13 PRO HGx 1.0 1.819 3.779 2081 1856 A 13 PRO HBx A 13 PRO HDy 1.0 2.000 6.032 2082 1856 A 13 PRO HBx A 13 PRO HDx 1.0 2.000 6.032 2083 1857 A 10 PRO HBy A 10 PRO HG3 1.0 1.708 3.234 2084 1857 A 10 PRO HBy A 10 PRO HG2 1.0 1.708 3.234 2085 1858 A 10 PRO HBx A 10 PRO HG2 1.0 1.614 2.874 2086 1858 A 10 PRO HBx A 10 PRO HG3 1.0 1.614 2.874 2087 1859 A 10 PRO HBx B 85 LEU HBx 1.0 1.970 7.014 2088 1859 A 10 PRO HBx A 13 PRO HBx 1.0 1.970 7.014 2089 1860 A 25 VAL HB B 99 PHE HZ 1.0 1.987 5.365 2090 1860 A 25 VAL HB B 99 PHE HEx 1.0 1.987 5.365 2091 1860 A 25 VAL HB B 99 PHE HEy 1.0 1.987 5.365 2092 1861 A 24 VAL HB A 23 ILE HA 1.0 1.997 6.321 2093 1861 A 15 VAL HA A 24 VAL HB 1.0 1.997 6.321 2094 1862 A 15 VAL HB A 15 VAL HGx% 1.0 1.533 2.603 2095 1862 A 15 VAL HGy% A 15 VAL HB 1.0 1.533 2.603 2096 1863 A 17 GLN HBy A 17 GLN HG3 1.0 1.601 2.825 2097 1863 A 17 GLN HBy A 17 GLN HG2 1.0 1.601 2.825 2098 1864 A 17 GLN HBx A 17 GLN HG3 1.0 1.664 3.056 2099 1864 A 17 GLN HBx A 17 GLN HG2 1.0 1.664 3.056 2100 1865 A 21 THR H A 20 ASP HB2 1.0 1.963 4.949 2101 1865 A 21 THR H A 20 ASP HB3 1.0 1.963 4.949 2102 1866 A 25 VAL HA A 23 ILE HB 1.0 1.997 6.295 2103 1866 A 24 VAL HA A 23 ILE HB 1.0 1.997 6.295 2104 1867 A 23 ILE HB B 101 PHE HEx 1.0 1.954 7.262 2105 1867 A 23 ILE HB B 101 PHE HEy 1.0 1.954 7.262 2106 1867 A 23 ILE HB B 101 PHE HDy 1.0 1.954 7.262 2107 1867 A 23 ILE HB B 101 PHE HDx 1.0 1.954 7.262 2108 1868 A 24 VAL HB A 26 ARG HD3 1.0 2.000 6.054 2109 1868 A 24 VAL HB A 26 ARG HD2 1.0 2.000 6.054 2110 1869 A 16 ASP HBx A 26 ARG HD3 1.0 1.989 5.427 2111 1869 A 16 ASP HBx A 26 ARG HD2 1.0 1.989 5.427 2112 1870 A 14 THR HB A 26 ARG HD3 1.0 1.915 7.733 2113 1870 A 14 THR HB A 26 ARG HD2 1.0 1.915 7.733 2114 1871 B 42 ILE HD1% A 29 ARG HD2 1.0 1.997 6.289 2115 1871 B 42 ILE HD1% A 29 ARG HD3 1.0 1.997 6.289 2116 1872 A 30 PRO HBx A 29 ARG HD3 1.0 1.937 7.485 2117 1872 B 68 ASN HBx A 29 ARG HD3 1.0 1.937 7.485 2118 1872 B 68 ASN HBx A 29 ARG HD2 1.0 1.937 7.485 2119 1872 A 30 PRO HBx A 29 ARG HD2 1.0 1.937 7.485 2120 1873 B 68 ASN HBy A 29 ARG HD3 1.0 1.999 6.149 2121 1873 A 10 PRO HBx A 29 ARG HD3 1.0 1.999 6.149 2122 1873 B 68 ASN HBy A 29 ARG HD2 1.0 1.999 6.149 2123 1873 A 10 PRO HBx A 29 ARG HD2 1.0 1.999 6.149 2124 1874 A 23 ILE HA A 16 ASP HBx 1.0 1.980 6.822 2125 1874 A 15 VAL HA A 16 ASP HBx 1.0 1.980 6.822 2126 1875 A 16 ASP HBy A 24 VAL HGx% 1.0 2.000 5.972 2127 1875 A 24 VAL HGy% A 16 ASP HBy 1.0 2.000 5.972 2128 1876 A 24 VAL HGx% A 16 ASP HBx 1.0 1.924 4.516 2129 1876 A 24 VAL HGy% A 16 ASP HBx 1.0 1.924 4.516 2130 1877 A 9 ALA HB% A 10 PRO HDx 1.0 1.597 2.813 2131 1877 A 13 PRO HGx A 13 PRO HDx 1.0 1.597 2.813 2132 1878 A 10 PRO HDx A 10 PRO HG3 1.0 1.527 2.583 2133 1878 A 10 PRO HDx A 10 PRO HG2 1.0 1.527 2.583 2134 1879 A 10 PRO HDy A 10 PRO HG3 1.0 1.479 2.439 2135 1879 A 10 PRO HDy A 10 PRO HG2 1.0 1.479 2.439 2136 1880 B 39 PRO HDx B 39 PRO HBy 1.0 1.946 4.746 2137 1880 A 30 PRO HBx A 30 PRO HDy 1.0 1.946 4.746 2138 1881 B 37 PRO HDx B 37 PRO HG3 1.0 1.726 3.314 2139 1881 B 37 PRO HDx B 37 PRO HG2 1.0 1.726 3.314 2140 1882 B 37 PRO HBy B 37 PRO HG2 1.0 1.490 2.470 2141 1882 B 37 PRO HBy B 37 PRO HG3 1.0 1.490 2.470 2142 1883 B 39 PRO HDy B 39 PRO HBy 1.0 1.976 5.148 2143 1883 B 37 PRO HDy B 37 PRO HBy 1.0 1.976 5.148 2144 1884 B 42 ILE HA B 87 SER HB3 1.0 1.980 6.812 2145 1884 B 42 ILE HA B 43 SER HB2 1.0 1.980 6.812 2146 1884 B 42 ILE HA B 43 SER HB3 1.0 1.980 6.812 2147 1885 B 42 ILE HD1% A 30 PRO HG3 1.0 1.818 3.768 2148 1885 B 42 ILE HD1% B 89 GLN HBy 1.0 1.818 3.768 2149 1885 A 29 ARG HBy B 42 ILE HD1% 1.0 1.818 3.768 2150 1885 A 30 PRO HG2 B 42 ILE HD1% 1.0 1.818 3.768 2151 1886 B 42 ILE HB B 41 HIS HA 1.0 1.991 6.549 2152 1886 B 87 SER HA B 88 ILE HB 1.0 1.991 6.549 2153 1887 B 87 SER HB3 B 88 ILE H 1.0 1.894 4.266 2154 1887 B 87 SER HB2 B 95 GLU H 1.0 1.894 4.266 2155 1888 B 89 GLN HA B 43 SER HB2 1.0 1.887 4.207 2156 1888 B 89 GLN HA B 43 SER HB3 1.0 1.887 4.207 2157 1889 B 88 ILE HB B 43 SER HB2 1.0 1.838 3.882 2158 1889 B 88 ILE HB B 43 SER HB3 1.0 1.838 3.882 2159 1890 B 42 ILE HG2% B 43 SER HB3 1.0 1.980 5.212 2160 1890 B 42 ILE HG2% B 43 SER HB2 1.0 1.980 5.212 2161 1891 B 44 LYS HGx B 44 LYS HD3 1.0 1.764 3.490 2162 1891 B 44 LYS HGx B 44 LYS HD2 1.0 1.764 3.490 2163 1892 B 44 LYS HBy B 44 LYS HD3 1.0 1.729 3.325 2164 1892 B 44 LYS HBy B 44 LYS HD2 1.0 1.729 3.325 2165 1893 B 46 ILE HD1% B 44 LYS HD3 1.0 1.889 4.229 2166 1893 B 46 ILE HD1% B 44 LYS HD2 1.0 1.889 4.229 2167 1894 B 52 LYS HD3 B 55 VAL HGy% 1.0 1.910 4.390 2168 1894 B 88 ILE HG2% B 44 LYS HD3 1.0 1.910 4.390 2169 1894 B 88 ILE HG2% B 44 LYS HD2 1.0 1.910 4.390 2170 1895 B 46 ILE HD1% B 44 LYS HEx 1.0 1.774 3.536 2171 1895 B 46 ILE HD1% B 44 LYS HEy 1.0 1.774 3.536 2172 1896 B 44 LYS HGy B 44 LYS HEy 1.0 1.752 3.434 2173 1896 B 44 LYS HGy B 44 LYS HEx 1.0 1.752 3.434 2174 1897 B 44 LYS HEx B 44 LYS HD3 1.0 1.727 3.319 2175 1897 B 44 LYS HEy B 44 LYS HD2 1.0 1.727 3.319 2176 1897 B 44 LYS HEy B 44 LYS HD3 1.0 1.727 3.319 2177 1898 B 44 LYS HGx B 44 LYS HEx 1.0 1.866 4.058 2178 1898 B 44 LYS HGx B 44 LYS HEy 1.0 1.866 4.058 2179 1899 B 45 TYR H B 44 LYS HD2 1.0 1.989 6.605 2180 1899 B 45 TYR H B 44 LYS HD3 1.0 1.989 6.605 2181 1900 B 45 TYR HBy B 85 LEU HDx% 1.0 1.994 5.560 2182 1900 B 45 TYR HBy B 85 LEU HDy% 1.0 1.994 5.560 2183 1901 B 45 TYR HBx B 85 LEU HDx% 1.0 1.784 3.588 2184 1901 B 45 TYR HBx B 85 LEU HDy% 1.0 1.784 3.588 2185 1902 B 45 TYR H B 45 TYR HBx 1.0 1.966 4.992 2186 1902 B 45 TYR HBx B 46 ILE H 1.0 1.966 4.992 2187 1903 B 46 ILE HB B 46 ILE HG2% 1.0 1.454 2.364 2188 1903 B 46 ILE HB B 46 ILE HD1% 1.0 1.454 2.364 2189 1904 B 48 ARG H B 47 LEU HBy 1.0 1.972 5.082 2190 1904 B 47 LEU HBy B 61 ALA H 1.0 1.972 5.082 2191 1905 B 47 LEU HBx B 61 ALA H 1.0 1.996 6.340 2192 1905 B 48 ARG H B 47 LEU HBx 1.0 1.996 6.340 2193 1906 B 47 LEU HBy B 72 ILE HG1x 1.0 1.934 4.604 2194 1906 B 72 ILE HD1% B 47 LEU HBy 1.0 1.934 4.604 2195 1906 B 47 LEU HBy B 85 LEU HDy% 1.0 1.934 4.604 2196 1907 B 47 LEU HBx B 85 LEU HDy% 1.0 1.927 4.545 2197 1907 B 72 ILE HD1% B 47 LEU HBx 1.0 1.927 4.545 2198 1908 B 72 ILE HD1% B 47 LEU HG 1.0 1.534 2.602 2199 1908 B 47 LEU HG B 72 ILE HG1x 1.0 1.534 2.602 2200 1909 B 48 ARG H B 47 LEU HD1% 1.0 1.741 3.383 2201 1909 B 48 ARG H B 47 LEU HD2% 1.0 1.741 3.383 2202 1910 B 47 LEU H B 47 LEU HD1% 1.0 1.999 5.821 2203 1910 B 47 LEU H B 47 LEU HD2% 1.0 1.999 5.821 2204 1911 B 70 TYR HDy B 47 LEU HD1% 1.0 1.863 4.047 2205 1911 B 70 TYR HDy B 47 LEU HD2% 1.0 1.863 4.047 2206 1911 B 70 TYR HDx B 47 LEU HD1% 1.0 1.863 4.047 2207 1911 B 70 TYR HDx B 47 LEU HD2% 1.0 1.863 4.047 2208 1912 B 49 TRP HH2 B 47 LEU HD1% 1.0 1.999 5.897 2209 1912 B 49 TRP HH2 B 47 LEU HD2% 1.0 1.999 5.897 2210 1913 B 47 LEU HA B 47 LEU HD2% 1.0 1.613 2.869 2211 1913 B 47 LEU HA B 47 LEU HD1% 1.0 1.613 2.869 2212 1914 B 49 TRP HBx B 47 LEU HD1% 1.0 1.911 4.403 2213 1914 B 70 TYR HBy B 47 LEU HD2% 1.0 1.911 4.403 2214 1914 B 49 TRP HBx B 47 LEU HD2% 1.0 1.911 4.403 2215 1915 B 70 TYR HBx B 47 LEU HD1% 1.0 1.907 4.371 2216 1915 B 70 TYR HBx B 47 LEU HD2% 1.0 1.907 4.371 2217 1916 B 47 LEU HBy B 47 LEU HD2% 1.0 1.631 2.931 2218 1916 B 47 LEU HBy B 47 LEU HD1% 1.0 1.631 2.931 2219 1917 B 72 ILE HD1% B 47 LEU HD2% 1.0 1.282 1.924 2220 1917 B 72 ILE HD1% B 47 LEU HD1% 1.0 1.282 1.924 2221 1917 B 85 LEU HDy% B 47 LEU HD2% 1.0 1.282 1.924 2222 1918 B 48 ARG HA B 48 ARG HBy 1.0 1.747 3.405 2223 1918 B 48 ARG HA B 48 ARG HGy 1.0 1.747 3.405 2224 1919 B 50 ARG HA B 51 PRO HD3 1.0 1.790 3.614 2225 1919 B 50 ARG HA B 51 PRO HD2 1.0 1.790 3.614 2226 1920 B 52 LYS HA B 52 LYS HE3 1.0 1.992 6.516 2227 1920 B 52 LYS HA B 52 LYS HE2 1.0 1.992 6.516 2228 1921 B 52 LYS HA B 81 TYR HA 1.0 1.943 4.699 2229 1921 B 52 LYS HA B 53 ASN HA 1.0 1.943 4.699 2230 1922 B 52 LYS HBy B 52 LYS HE3 1.0 1.934 7.528 2231 1922 B 52 LYS HBy B 52 LYS HE2 1.0 1.934 7.528 2232 1923 B 52 LYS HBx B 52 LYS HE2 1.0 1.873 4.111 2233 1923 B 52 LYS HBx B 52 LYS HE3 1.0 1.873 4.111 2234 1924 B 52 LYS HBx B 55 VAL HGy% 1.0 1.991 6.547 2235 1924 B 52 LYS HBx B 81 TYR HBy 1.0 1.991 6.547 2236 1924 B 52 LYS HBx B 79 VAL HGy% 1.0 1.991 6.547 2237 1925 B 71 THR HG2% B 73 LYS HG3 1.0 1.714 3.260 2238 1925 B 71 THR HG2% B 73 LYS HG2 1.0 1.714 3.260 2239 1926 B 52 LYS HD3 B 52 LYS HGx 1.0 1.573 2.733 2240 1926 B 52 LYS HBy B 52 LYS HGx 1.0 1.573 2.733 2241 1926 B 52 LYS HGx B 52 LYS HD2 1.0 1.573 2.733 2242 1927 B 73 LYS HG2 B 73 LYS HBx 1.0 1.754 3.442 2243 1927 B 73 LYS HG2 B 73 LYS HDx 1.0 1.754 3.442 2244 1927 B 73 LYS HDx B 73 LYS HG3 1.0 1.754 3.442 2245 1927 B 73 LYS HBx B 73 LYS HG3 1.0 1.754 3.442 2246 1928 B 52 LYS HGy B 52 LYS HE2 1.0 1.699 3.197 2247 1928 B 52 LYS HGy B 52 LYS HE3 1.0 1.699 3.197 2248 1929 B 74 GLY H B 73 LYS HG3 1.0 1.986 6.674 2249 1929 B 73 LYS HG2 B 74 GLY H 1.0 1.986 6.674 2250 1930 B 52 LYS HE3 B 52 LYS HD2 1.0 1.616 2.880 2251 1930 B 52 LYS HE2 B 52 LYS HD2 1.0 1.616 2.880 2252 1931 B 52 LYS HD3 B 82 GLU HGy 1.0 1.913 4.423 2253 1931 B 82 GLU HGy B 52 LYS HD2 1.0 1.913 4.423 2254 1932 B 71 THR HG2% B 73 LYS HE3 1.0 1.658 3.032 2255 1932 B 71 THR HG2% B 73 LYS HE2 1.0 1.658 3.032 2256 1933 B 73 LYS HG2 B 73 LYS HE3 1.0 1.594 2.802 2257 1933 B 73 LYS HG2 B 73 LYS HE2 1.0 1.594 2.802 2258 1933 B 73 LYS HG3 B 73 LYS HE3 1.0 1.594 2.802 2259 1934 B 73 LYS HDy B 73 LYS HE2 1.0 1.576 2.740 2260 1934 B 73 LYS HDy B 73 LYS HE3 1.0 1.576 2.740 2261 1935 B 71 THR HB B 73 LYS HE3 1.0 1.899 4.305 2262 1935 B 71 THR HB B 73 LYS HE2 1.0 1.899 4.305 2263 1936 B 55 VAL HGx% B 54 SER HBy 1.0 2.000 6.136 2264 1936 B 55 VAL HGy% B 54 SER HBy 1.0 2.000 6.136 2265 1937 B 55 VAL HGx% B 55 VAL HB 1.0 1.394 2.204 2266 1937 B 55 VAL HB B 55 VAL HGy% 1.0 1.394 2.204 2267 1938 B 57 ARG HBy B 57 ARG HD3 1.0 1.941 4.693 2268 1938 B 57 ARG HBy B 57 ARG HD2 1.0 1.941 4.693 2269 1939 B 57 ARG HBx B 57 ARG HD3 1.0 1.868 4.074 2270 1939 B 57 ARG HBx B 57 ARG HD2 1.0 1.868 4.074 2271 1940 B 58 TRP H B 57 ARG HG2 1.0 1.998 6.290 2272 1940 B 58 TRP H B 57 ARG HG3 1.0 1.998 6.290 2273 1941 B 57 ARG H B 57 ARG HG3 1.0 1.963 4.951 2274 1941 B 57 ARG H B 57 ARG HG2 1.0 1.963 4.951 2275 1942 B 57 ARG HA B 57 ARG HG3 1.0 1.832 3.848 2276 1942 B 57 ARG HA B 57 ARG HG2 1.0 1.832 3.848 2277 1943 B 57 ARG HD2 B 57 ARG HG2 1.0 1.539 2.619 2278 1943 B 57 ARG HD3 B 57 ARG HG2 1.0 1.539 2.619 2279 1943 B 57 ARG HD3 B 57 ARG HG3 1.0 1.539 2.619 2280 1944 B 58 TRP HBy B 59 LYS H 1.0 1.988 5.394 2281 1944 B 58 TRP HBy B 58 TRP H 1.0 1.988 5.394 2282 1945 B 58 TRP HBx B 57 ARG HG2 1.0 1.978 6.874 2283 1945 B 57 ARG HBy B 58 TRP HBx 1.0 1.978 6.874 2284 1945 B 48 ARG HBx B 58 TRP HBx 1.0 1.978 6.874 2285 1946 B 50 ARG HBy B 58 TRP HBy 1.0 2.000 5.964 2286 1946 B 58 TRP HBy B 48 ARG HGy 1.0 2.000 5.964 2287 1946 B 58 TRP HBy B 48 ARG HBy 1.0 2.000 5.964 2288 1947 B 49 TRP HH2 B 59 LYS HDy 1.0 1.997 5.709 2289 1947 B 49 TRP HH2 B 59 LYS HDx 1.0 1.997 5.709 2290 1948 B 59 LYS HGx B 59 LYS HE3 1.0 1.845 3.927 2291 1948 B 59 LYS HGx B 59 LYS HE2 1.0 1.845 3.927 2292 1949 B 59 LYS HGy B 59 LYS HE2 1.0 1.807 3.705 2293 1949 B 59 LYS HGy B 59 LYS HE3 1.0 1.807 3.705 2294 1950 B 59 LYS HBx B 59 LYS HE2 1.0 1.874 4.118 2295 1950 B 59 LYS HE3 B 59 LYS HBx 1.0 1.874 4.118 2296 1951 B 59 LYS HBy B 59 LYS HE2 1.0 1.993 6.485 2297 1951 B 59 LYS HE3 B 59 LYS HBy 1.0 1.993 6.485 2298 1952 B 79 VAL HGx% B 76 LYS HD3 1.0 1.872 4.102 2299 1952 B 79 VAL HGx% B 76 LYS HD2 1.0 1.872 4.102 2300 1953 B 59 LYS HGy B 59 LYS HBx 1.0 1.824 3.804 2301 1953 B 59 LYS HGx B 59 LYS HBx 1.0 1.824 3.804 2302 1954 B 59 LYS HGx B 59 LYS HBy 1.0 1.816 3.760 2303 1954 B 59 LYS HGy B 59 LYS HBy 1.0 1.816 3.760 2304 1955 B 59 LYS HDx B 59 LYS HBx 1.0 1.836 3.876 2305 1955 B 59 LYS HDy B 59 LYS HBx 1.0 1.836 3.876 2306 1956 B 59 LYS HDy B 59 LYS HBy 1.0 1.834 3.862 2307 1956 B 59 LYS HDx B 59 LYS HBy 1.0 1.834 3.862 2308 1957 B 59 LYS HDx B 59 LYS HE3 1.0 1.608 2.852 2309 1957 B 59 LYS HDy B 59 LYS HE3 1.0 1.608 2.852 2310 1957 B 59 LYS HDx B 59 LYS HE2 1.0 1.608 2.852 2311 1958 B 59 LYS HA B 60 GLU HB2 1.0 1.980 6.818 2312 1958 B 59 LYS HA B 60 GLU HB3 1.0 1.980 6.818 2313 1959 B 60 GLU HGy B 60 GLU HB2 1.0 1.651 3.007 2314 1959 B 60 GLU HGy B 60 GLU HB3 1.0 1.651 3.007 2315 1960 B 60 GLU HGx B 60 GLU HB2 1.0 1.678 3.112 2316 1960 B 60 GLU HGx B 60 GLU HB3 1.0 1.678 3.112 2317 1961 B 46 ILE HG2% B 60 GLU HB3 1.0 1.919 4.477 2318 1961 B 46 ILE HG2% B 60 GLU HB2 1.0 1.919 4.477 2319 1961 B 46 ILE HG2% B 48 ARG HBx 1.0 1.919 4.477 2320 1962 B 59 LYS HBx B 60 GLU HGx 1.0 1.998 5.786 2321 1962 B 46 ILE HG2% B 60 GLU HGx 1.0 1.998 5.786 2322 1963 B 49 TRP HZ3 B 61 ALA HB% 1.0 1.672 3.092 2323 1963 B 61 ALA HB% B 70 TYR HEx 1.0 1.672 3.092 2324 1963 B 61 ALA HB% B 70 TYR HEy 1.0 1.672 3.092 2325 1964 B 62 THR HG2% B 44 LYS HEy 1.0 1.975 5.141 2326 1964 B 62 THR HG2% B 44 LYS HEx 1.0 1.975 5.141 2327 1965 B 62 THR HG2% B 44 LYS HD3 1.0 1.536 2.610 2328 1965 B 62 THR HG2% B 44 LYS HD2 1.0 1.536 2.610 2329 1966 B 63 ILE HG2% B 64 PRO HD2 1.0 1.627 2.917 2330 1966 B 63 ILE HG2% B 64 PRO HD3 1.0 1.627 2.917 2331 1967 B 63 ILE HG1x B 64 PRO HD3 1.0 1.998 6.246 2332 1967 B 63 ILE HG1x B 64 PRO HD2 1.0 1.998 6.246 2333 1968 B 63 ILE HG1y B 64 PRO HD2 1.0 1.998 6.250 2334 1968 B 63 ILE HG1y B 64 PRO HD3 1.0 1.998 6.250 2335 1969 B 63 ILE HD1% B 64 PRO HD2 1.0 1.998 6.284 2336 1969 B 63 ILE HD1% B 62 THR HB 1.0 1.998 6.284 2337 1969 B 63 ILE HD1% B 64 PRO HD3 1.0 1.998 6.284 2338 1970 B 63 ILE HB B 64 PRO HD3 1.0 1.999 5.781 2339 1970 B 63 ILE HB B 64 PRO HD2 1.0 1.999 5.781 2340 1971 B 63 ILE HB A 27 TRP HZ2 1.0 1.944 4.720 2341 1971 B 63 ILE HB A 27 TRP HH2 1.0 1.944 4.720 2342 1972 B 63 ILE HG2% A 27 TRP HZ2 1.0 1.676 3.106 2343 1972 B 63 ILE HG2% A 27 TRP HH2 1.0 1.676 3.106 2344 1973 B 63 ILE HD1% A 27 TRP HZ2 1.0 1.749 3.419 2345 1973 B 63 ILE HD1% A 27 TRP HH2 1.0 1.749 3.419 2346 1974 B 64 PRO HBy B 64 PRO HD3 1.0 1.984 5.296 2347 1974 B 64 PRO HBy B 64 PRO HD2 1.0 1.984 5.296 2348 1975 B 64 PRO HBy B 66 HIS H 1.0 1.881 4.167 2349 1975 B 65 GLY H B 64 PRO HBy 1.0 1.881 4.167 2350 1976 B 63 ILE HA B 64 PRO HG2 1.0 1.959 7.179 2351 1976 B 63 ILE HA B 64 PRO HG3 1.0 1.959 7.179 2352 1977 B 64 PRO HG3 B 64 PRO HD3 1.0 1.692 3.168 2353 1977 B 64 PRO HG2 B 64 PRO HD2 1.0 1.692 3.168 2354 1977 B 64 PRO HG2 B 64 PRO HD3 1.0 1.692 3.168 2355 1978 B 64 PRO HBy B 64 PRO HG3 1.0 1.743 3.389 2356 1978 B 64 PRO HBy B 64 PRO HG2 1.0 1.743 3.389 2357 1979 B 63 ILE HG2% B 64 PRO HG3 1.0 1.997 6.355 2358 1979 B 63 ILE HG2% B 64 PRO HG2 1.0 1.997 6.355 2359 1980 B 67 LEU HG B 64 PRO HD2 1.0 1.752 3.432 2360 1980 B 67 LEU HG B 64 PRO HD3 1.0 1.752 3.432 2361 1981 B 67 LEU HD2% B 68 ASN H 1.0 1.892 4.250 2362 1981 B 67 LEU HD1% B 67 LEU H 1.0 1.892 4.250 2363 1981 B 67 LEU HD2% B 67 LEU H 1.0 1.892 4.250 2364 1982 A 23 ILE HG2% B 72 ILE HB 1.0 1.992 5.512 2365 1982 A 25 VAL HGx% B 72 ILE HB 1.0 1.992 5.512 2366 1983 B 49 TRP HD1 B 72 ILE HB 1.0 1.989 6.605 2367 1983 B 72 ILE HB B 70 TYR HEx 1.0 1.989 6.605 2368 1983 B 72 ILE HB B 70 TYR HEy 1.0 1.989 6.605 2369 1984 B 72 ILE HG1y B 72 ILE HG1x 1.0 1.408 2.238 2370 1984 B 72 ILE HD1% B 72 ILE HG1y 1.0 1.408 2.238 2371 1985 A 25 VAL HGx% B 72 ILE HG2% 1.0 1.985 5.321 2372 1985 A 23 ILE HG2% B 72 ILE HG2% 1.0 1.985 5.321 2373 1986 B 72 ILE HG1y B 72 ILE HG2% 1.0 1.781 3.573 2374 1986 B 72 ILE HG2% B 61 ALA HB% 1.0 1.781 3.573 2375 1987 B 72 ILE HD1% B 85 LEU HBy 1.0 1.950 4.780 2376 1987 B 72 ILE HD1% B 47 LEU HBy 1.0 1.950 4.780 2377 1988 B 72 ILE HD1% B 72 ILE HB 1.0 1.558 2.682 2378 1988 B 72 ILE HD1% B 47 LEU HD1% 1.0 1.558 2.682 2379 1988 B 72 ILE HD1% B 47 LEU HD2% 1.0 1.558 2.682 2380 1989 A 25 VAL HGy% B 72 ILE HD1% 1.0 1.583 2.763 2381 1989 B 72 ILE HD1% B 47 LEU HG 1.0 1.583 2.763 2382 1990 B 73 LYS HG2 B 73 LYS HBx 1.0 1.794 3.640 2383 1990 B 73 LYS HBx B 73 LYS HG3 1.0 1.794 3.640 2384 1991 A 22 SER HBy B 73 LYS HG2 1.0 1.880 4.162 2385 1991 A 22 SER HBy B 73 LYS HG3 1.0 1.880 4.162 2386 1992 B 71 THR HB B 73 LYS HDy 1.0 1.937 7.477 2387 1992 A 22 SER HBy B 73 LYS HDy 1.0 1.937 7.477 2388 1992 B 72 ILE HA B 73 LYS HDy 1.0 1.937 7.477 2389 1993 B 73 LYS HDx B 73 LYS HE3 1.0 1.878 4.150 2390 1993 B 73 LYS HDx B 73 LYS HE2 1.0 1.878 4.150 2391 1994 B 75 LEU HA B 75 LEU HB3 1.0 1.910 4.396 2392 1994 B 75 LEU HA B 75 LEU HB2 1.0 1.910 4.396 2393 1995 A 21 THR HA B 75 LEU HB2 1.0 1.922 4.498 2394 1995 A 21 THR HA B 75 LEU HB3 1.0 1.922 4.498 2395 1996 B 75 LEU HG B 101 PHE HEx 1.0 1.951 4.797 2396 1996 B 75 LEU HG B 101 PHE HEy 1.0 1.951 4.797 2397 1996 B 75 LEU HG B 101 PHE HDy 1.0 1.951 4.797 2398 1996 B 75 LEU HG B 101 PHE HDx 1.0 1.951 4.797 2399 1997 B 75 LEU HG A 21 THR HB 1.0 1.994 5.572 2400 1997 A 21 THR HA B 75 LEU HG 1.0 1.994 5.572 2401 1998 B 75 LEU HG B 75 LEU HB3 1.0 1.653 3.015 2402 1998 B 75 LEU HG B 75 LEU HB2 1.0 1.653 3.015 2403 1999 B 75 LEU HG B 75 LEU HD1% 1.0 1.459 2.379 2404 1999 B 75 LEU HG B 75 LEU HD2% 1.0 1.459 2.379 2405 2000 B 75 LEU HD1% B 75 LEU HB3 1.0 1.617 2.879 2406 2000 B 75 LEU HD2% B 75 LEU HB2 1.0 1.617 2.879 2407 2000 B 75 LEU HD1% B 75 LEU HB2 1.0 1.617 2.879 2408 2001 B 59 LYS HDy B 75 LEU HD2% 1.0 1.998 5.780 2409 2001 B 75 LEU HD2% B 76 LYS HBy 1.0 1.998 5.780 2410 2001 B 75 LEU HD2% B 76 LYS HD2 1.0 1.998 5.780 2411 2001 B 75 LEU HD2% B 76 LYS HD3 1.0 1.998 5.780 2412 2001 B 59 LYS HDx B 75 LEU HD2% 1.0 1.998 5.780 2413 2001 B 59 LYS HDx B 75 LEU HD1% 1.0 1.998 5.780 2414 2002 A 21 THR HA B 75 LEU HD1% 1.0 1.976 5.158 2415 2002 A 21 THR HA B 75 LEU HD2% 1.0 1.976 5.158 2416 2003 A 23 ILE HA B 75 LEU HD1% 1.0 1.986 5.340 2417 2003 B 73 LYS HA B 75 LEU HD1% 1.0 1.986 5.340 2418 2003 B 73 LYS HA B 75 LEU HD2% 1.0 1.986 5.340 2419 2004 B 49 TRP HD1 B 75 LEU HD2% 1.0 1.694 3.178 2420 2004 B 101 PHE HDy B 75 LEU HD1% 1.0 1.694 3.178 2421 2004 B 75 LEU HD2% B 81 TYR HEx 1.0 1.694 3.178 2422 2004 B 101 PHE HDx B 75 LEU HD1% 1.0 1.694 3.178 2423 2004 B 75 LEU HD2% B 81 TYR HEy 1.0 1.694 3.178 2424 2005 B 75 LEU HD2% B 81 TYR HDy 1.0 1.900 4.310 2425 2005 B 81 TYR HDx B 75 LEU HD1% 1.0 1.900 4.310 2426 2005 B 75 LEU HD2% B 81 TYR HDx 1.0 1.900 4.310 2427 2005 B 81 TYR HDy B 75 LEU HD1% 1.0 1.900 4.310 2428 2006 B 76 LYS HGx B 76 LYS HE3 1.0 1.949 4.779 2429 2006 B 76 LYS HGx B 76 LYS HE2 1.0 1.949 4.779 2430 2007 B 76 LYS HGy B 76 LYS HE3 1.0 1.923 4.505 2431 2007 B 76 LYS HGy B 76 LYS HE2 1.0 1.923 4.505 2432 2008 B 76 LYS HGx B 76 LYS HD2 1.0 1.558 2.682 2433 2008 B 76 LYS HGx B 76 LYS HD3 1.0 1.558 2.682 2434 2009 B 79 VAL HGy% B 76 LYS HD2 1.0 1.801 3.673 2435 2009 B 79 VAL HGy% B 76 LYS HD3 1.0 1.801 3.673 2436 2010 B 76 LYS HGy B 76 LYS HD2 1.0 1.468 2.406 2437 2010 B 76 LYS HGy B 76 LYS HD3 1.0 1.468 2.406 2438 2011 B 76 LYS HA B 76 LYS HD3 1.0 1.992 6.498 2439 2011 B 76 LYS HA B 76 LYS HD2 1.0 1.992 6.498 2440 2012 B 76 LYS H B 76 LYS HD2 1.0 1.973 6.957 2441 2012 B 76 LYS H B 76 LYS HD3 1.0 1.973 6.957 2442 2013 B 76 LYS HD3 B 76 LYS HE2 1.0 1.613 2.869 2443 2013 B 76 LYS HD3 B 76 LYS HE3 1.0 1.613 2.869 2444 2013 B 76 LYS HD2 B 76 LYS HE2 1.0 1.613 2.869 2445 2014 B 76 LYS HGy B 76 LYS HE2 1.0 1.803 3.683 2446 2014 B 76 LYS HGy B 76 LYS HE3 1.0 1.803 3.683 2447 2014 B 76 LYS HGx B 76 LYS HE3 1.0 1.803 3.683 2448 2015 B 79 VAL HGy% B 76 LYS HE3 1.0 1.871 4.099 2449 2015 B 79 VAL HGy% B 76 LYS HE2 1.0 1.871 4.099 2450 2016 B 84 GLN HA B 84 GLN HG3 1.0 1.866 4.064 2451 2016 B 84 GLN HA B 84 GLN HG2 1.0 1.866 4.064 2452 2017 B 79 VAL HGx% B 76 LYS HGy 1.0 1.964 4.956 2453 2017 B 79 VAL HGx% B 76 LYS HGx 1.0 1.964 4.956 2454 2018 B 80 VAL HG2% B 101 PHE H 1.0 1.994 5.574 2455 2018 B 80 VAL HG1% B 101 PHE H 1.0 1.994 5.574 2456 2019 B 80 VAL HG1% B 80 VAL HA 1.0 1.634 2.944 2457 2019 B 80 VAL HG2% B 80 VAL HA 1.0 1.634 2.944 2458 2020 B 80 VAL HG1% B 52 LYS HE3 1.0 1.985 6.687 2459 2020 B 80 VAL HG2% B 52 LYS HE2 1.0 1.985 6.687 2460 2020 B 80 VAL HG1% B 52 LYS HE2 1.0 1.985 6.687 2461 2021 B 80 VAL HG2% B 100 ASP HB2 1.0 1.960 4.900 2462 2021 B 80 VAL HG1% B 100 ASP HB3 1.0 1.960 4.900 2463 2021 B 80 VAL HG1% B 100 ASP HB2 1.0 1.960 4.900 2464 2022 B 80 VAL HG1% B 80 VAL HB 1.0 1.413 2.253 2465 2022 B 80 VAL HG2% B 80 VAL HB 1.0 1.413 2.253 2466 2023 B 80 VAL HG1% B 52 LYS HD2 1.0 1.952 4.806 2467 2023 B 52 LYS HD3 B 80 VAL HG1% 1.0 1.952 4.806 2468 2024 B 79 VAL HGx% B 80 VAL HG2% 1.0 1.920 4.480 2469 2024 B 79 VAL HGx% B 80 VAL HG1% 1.0 1.920 4.480 2470 2025 B 101 PHE HDy B 81 TYR HBx 1.0 1.964 4.970 2471 2025 B 101 PHE HDx B 81 TYR HBx 1.0 1.964 4.970 2472 2025 B 81 TYR HBx B 81 TYR HEy 1.0 1.964 4.970 2473 2025 B 81 TYR HBx B 81 TYR HEx 1.0 1.964 4.970 2474 2026 B 81 TYR HBx B 82 GLU H 1.0 1.969 5.037 2475 2026 B 81 TYR HBx B 101 PHE H 1.0 1.969 5.037 2476 2027 B 82 GLU HGy B 81 TYR HDy 1.0 1.985 6.693 2477 2027 B 82 GLU HGy B 81 TYR HDx 1.0 1.985 6.693 2478 2027 B 82 GLU HGy B 58 TRP HH2 1.0 1.985 6.693 2479 2027 B 58 TRP HZ3 B 82 GLU HGy 1.0 1.985 6.693 2480 2028 B 58 TRP HZ3 B 82 GLU HGx 1.0 1.988 5.384 2481 2028 B 82 GLU HGx B 58 TRP HH2 1.0 1.988 5.384 2482 2029 B 52 LYS HGx B 82 GLU HBy 1.0 1.955 7.247 2483 2029 B 52 LYS HGy B 82 GLU HBy 1.0 1.955 7.247 2484 2029 B 50 ARG HBy B 82 GLU HBy 1.0 1.955 7.247 2485 2030 B 82 GLU HBx B 52 LYS HGx 1.0 1.997 5.721 2486 2030 B 82 GLU HBx B 52 LYS HGy 1.0 1.997 5.721 2487 2031 B 84 GLN HA B 84 GLN HB2 1.0 1.654 3.018 2488 2031 B 84 GLN HA B 84 GLN HB3 1.0 1.654 3.018 2489 2032 B 84 GLN HG2 B 84 GLN HB2 1.0 1.698 3.192 2490 2032 B 84 GLN HG2 B 84 GLN HB3 1.0 1.698 3.192 2491 2032 B 84 GLN HG3 B 84 GLN HB2 1.0 1.698 3.192 2492 2033 B 85 LEU HDy% B 86 ILE HD1% 1.0 1.834 3.860 2493 2033 B 86 ILE HG2% B 85 LEU HDx% 1.0 1.834 3.860 2494 2033 B 85 LEU HDx% B 86 ILE HD1% 1.0 1.834 3.860 2495 2033 B 63 ILE HD1% B 85 LEU HDy% 1.0 1.834 3.860 2496 2033 B 46 ILE HG2% B 85 LEU HDy% 1.0 1.834 3.860 2497 2034 B 85 LEU HDx% A 10 PRO HG2 1.0 1.871 4.095 2498 2034 B 85 LEU HDx% A 10 PRO HG3 1.0 1.871 4.095 2499 2035 B 85 LEU HG A 27 TRP HZ3 1.0 2.000 5.992 2500 2035 B 85 LEU HG A 27 TRP HH2 1.0 2.000 5.992 2501 2036 A 27 TRP HZ3 B 85 LEU HDx% 1.0 1.924 4.516 2502 2036 B 85 LEU HDx% A 27 TRP HZ2 1.0 1.924 4.516 2503 2036 A 27 TRP HH2 B 85 LEU HDx% 1.0 1.924 4.516 2504 2037 A 27 TRP HH2 B 85 LEU HDy% 1.0 1.920 4.486 2505 2037 A 27 TRP HZ3 B 85 LEU HDy% 1.0 1.920 4.486 2506 2038 B 47 LEU HA B 48 ARG HGx 1.0 1.990 5.454 2507 2038 B 60 GLU HA B 48 ARG HGx 1.0 1.990 5.454 2508 2039 B 86 ILE HG1y B 87 SER H 1.0 1.962 7.130 2509 2039 B 86 ILE HG1y B 85 LEU H 1.0 1.962 7.130 2510 2040 B 88 ILE HG2% B 44 LYS H 1.0 1.999 5.881 2511 2040 B 88 ILE HG2% B 93 HIS H 1.0 1.999 5.881 2512 2041 B 88 ILE HB B 88 ILE HD1% 1.0 1.762 3.476 2513 2041 B 88 ILE HD1% B 94 GLN HBy 1.0 1.762 3.476 2514 2042 B 88 ILE HD1% B 44 LYS HEx 1.0 1.971 5.069 2515 2042 B 88 ILE HD1% B 44 LYS HEy 1.0 1.971 5.069 2516 2043 B 87 SER HB3 B 88 ILE HD1% 1.0 2.000 6.018 2517 2043 B 87 SER HB2 B 88 ILE HD1% 1.0 2.000 6.018 2518 2044 B 42 ILE H B 41 HIS HB3 1.0 1.887 4.211 2519 2044 B 42 ILE H B 41 HIS HB2 1.0 1.887 4.211 2520 2045 B 87 SER HB3 B 86 ILE HG2% 1.0 1.992 6.532 2521 2045 B 87 SER HB2 B 86 ILE HG2% 1.0 1.992 6.532 2522 2046 B 46 ILE HG2% B 86 ILE H 1.0 1.971 5.053 2523 2046 B 86 ILE HG2% B 86 ILE H 1.0 1.971 5.053 2524 2047 B 79 VAL HGx% B 75 LEU HA 1.0 1.972 5.090 2525 2047 B 79 VAL HGx% B 81 TYR HA 1.0 1.972 5.090 2526 2048 B 52 LYS HBx B 79 VAL HGx% 1.0 1.985 5.331 2527 2048 B 52 LYS HGx B 79 VAL HGx% 1.0 1.985 5.331 2528 2048 B 79 VAL HGx% B 75 LEU HB2 1.0 1.985 5.331 2529 2048 B 52 LYS HGy B 79 VAL HGx% 1.0 1.985 5.331 2530 2049 B 85 LEU HBy B 97 THR HG2% 1.0 1.987 5.379 2531 2049 B 97 THR HG2% B 98 ARG HGx 1.0 1.987 5.379 2532 2050 B 96 VAL HB B 97 THR HG2% 1.0 1.983 5.291 2533 2050 B 97 THR HG2% A 10 PRO HG3 1.0 1.983 5.291 2534 2050 B 95 GLU HBy B 97 THR HG2% 1.0 1.983 5.291 2535 2050 B 97 THR HG2% A 10 PRO HG2 1.0 1.983 5.291 2536 2051 A 13 PRO HDy B 97 THR HG2% 1.0 1.676 3.104 2537 2051 A 13 PRO HDx B 97 THR HG2% 1.0 1.676 3.104 2538 2052 B 67 LEU HD1% B 67 LEU HBy 1.0 1.571 2.723 2539 2052 B 67 LEU HBy B 67 LEU HD2% 1.0 1.571 2.723 2540 2053 B 86 ILE H B 47 LEU HD1% 1.0 1.999 6.145 2541 2053 B 86 ILE H B 47 LEU HD2% 1.0 1.999 6.145 2542 2054 A 27 TRP HZ3 B 47 LEU HD1% 1.0 1.736 3.358 2543 2054 A 27 TRP HZ3 B 47 LEU HD2% 1.0 1.736 3.358 2544 2055 B 70 TYR HEx B 47 LEU HD1% 1.0 1.826 3.818 2545 2055 B 49 TRP HZ3 B 47 LEU HD2% 1.0 1.826 3.818 2546 2055 B 70 TYR HEy B 47 LEU HD1% 1.0 1.826 3.818 2547 2055 B 49 TRP HZ3 B 47 LEU HD1% 1.0 1.826 3.818 2548 2056 A 25 VAL HB B 47 LEU HD1% 1.0 1.828 3.828 2549 2056 A 25 VAL HB B 47 LEU HD2% 1.0 1.828 3.828 2550 2057 B 47 LEU HG B 47 LEU HD1% 1.0 1.334 2.050 2551 2057 B 47 LEU HG B 47 LEU HD2% 1.0 1.334 2.050 2552 2058 A 25 VAL HGx% B 47 LEU HD2% 1.0 1.517 2.553 2553 2058 A 25 VAL HGx% B 47 LEU HD1% 1.0 1.517 2.553 2554 2059 B 67 LEU HG B 67 LEU HD2% 1.0 1.242 1.834 2555 2059 B 67 LEU HD1% B 67 LEU HG 1.0 1.242 1.834 2556 2060 B 52 LYS HGx B 52 LYS HE2 1.0 1.936 4.626 2557 2060 B 52 LYS HGx B 52 LYS HE3 1.0 1.936 4.626 2558 2061 B 47 LEU HG B 61 ALA HB% 1.0 1.780 3.566 2559 2061 B 47 LEU HG B 72 ILE HG1y 1.0 1.780 3.566 2560 2062 B 57 ARG HBx B 57 ARG HG2 1.0 1.512 2.534 2561 2062 B 57 ARG HBx B 57 ARG HG3 1.0 1.512 2.534 2562 2063 B 88 ILE HG1x B 44 LYS HEx 1.0 2.000 6.054 2563 2063 B 88 ILE HG1x B 44 LYS HEy 1.0 2.000 6.054 2564 2064 B 37 PRO HDy B 37 PRO HG3 1.0 1.569 2.719 2565 2064 B 37 PRO HDy B 37 PRO HG2 1.0 1.569 2.719 2566 2065 B 39 PRO HDy B 39 PRO HG3 1.0 1.668 3.070 2567 2065 B 39 PRO HDx B 39 PRO HG3 1.0 1.668 3.070 2568 2065 B 39 PRO HDy B 39 PRO HG2 1.0 1.668 3.070 2569 2066 B 40 SER H B 39 PRO HG3 1.0 1.999 6.139 2570 2066 B 40 SER H B 39 PRO HG2 1.0 1.999 6.139 2571 2067 B 59 LYS HA B 59 LYS HDy 1.0 1.993 6.455 2572 2067 B 59 LYS HA B 59 LYS HDx 1.0 1.993 6.455 2573 2068 B 59 LYS HDy B 59 LYS HE3 1.0 1.718 3.278 2574 2068 B 59 LYS HDy B 59 LYS HE2 1.0 1.718 3.278 2575 2069 B 59 LYS HDx B 59 LYS HE3 1.0 1.696 3.184 2576 2069 B 59 LYS HDx B 59 LYS HE2 1.0 1.696 3.184 2577 2070 B 59 LYS HGx B 59 LYS HDy 1.0 1.740 3.374 2578 2070 B 59 LYS HGx B 59 LYS HDx 1.0 1.740 3.374 2579 2071 B 73 LYS HDy B 73 LYS HG3 1.0 1.619 2.887 2580 2071 B 73 LYS HG2 B 73 LYS HDy 1.0 1.619 2.887 2581 2072 B 44 LYS HGy B 44 LYS HD2 1.0 1.517 2.553 2582 2072 B 44 LYS HGy B 44 LYS HD3 1.0 1.517 2.553 2583 2073 B 52 LYS HD3 B 52 LYS HGy 1.0 1.523 2.571 2584 2073 B 52 LYS HD3 B 52 LYS HBx 1.0 1.523 2.571 2585 2073 B 52 LYS HGy B 52 LYS HD2 1.0 1.523 2.571 2586 2074 B 63 ILE HG1x B 67 LEU HD1% 1.0 1.995 5.575 2587 2074 B 47 LEU HG B 63 ILE HG1x 1.0 1.995 5.575 2588 2074 A 25 VAL HGy% B 63 ILE HG1x 1.0 1.995 5.575 2589 2075 B 94 GLN HBx B 88 ILE HD1% 1.0 1.970 5.044 2590 2075 B 86 ILE HG2% B 94 GLN HBx 1.0 1.970 5.044 2591 2076 B 52 LYS HGy B 80 VAL HB 1.0 1.831 3.841 2592 2076 B 52 LYS HBx B 80 VAL HB 1.0 1.831 3.841 2593 2077 B 39 PRO HDx B 39 PRO HBx 1.0 1.931 4.583 2594 2077 B 39 PRO HDy B 39 PRO HBx 1.0 1.931 4.583 2595 2078 B 98 ARG HBy B 98 ARG HD2 1.0 1.859 4.021 2596 2078 B 98 ARG HBy B 98 ARG HD3 1.0 1.859 4.021 2597 2079 B 82 GLU HBx B 58 TRP HH2 1.0 1.988 5.390 2598 2079 B 58 TRP HZ3 B 82 GLU HBx 1.0 1.988 5.390 2599 2080 B 86 ILE HD1% B 84 GLN HB3 1.0 1.840 3.894 2600 2080 B 86 ILE HD1% B 84 GLN HB2 1.0 1.840 3.894 2601 2081 B 67 LEU HD1% B 64 PRO HBy 1.0 1.922 7.664 2602 2081 B 64 PRO HBy B 67 LEU HD2% 1.0 1.922 7.664 2603 2082 B 38 GLN HBy B 38 GLN HG3 1.0 1.706 3.228 2604 2082 B 38 GLN HBy B 38 GLN HG2 1.0 1.706 3.228 2605 2083 B 38 GLN HBx B 38 GLN HG2 1.0 1.651 3.005 2606 2083 B 38 GLN HBx B 38 GLN HG3 1.0 1.651 3.005 2607 2084 B 39 PRO HDx B 38 GLN HG2 1.0 1.988 6.636 2608 2084 B 39 PRO HDx B 38 GLN HG3 1.0 1.988 6.636 2609 2085 B 96 VAL HB B 96 VAL HGx% 1.0 1.456 2.372 2610 2085 B 96 VAL HB B 96 VAL HGy% 1.0 1.456 2.372 2611 2086 B 44 LYS HBx B 44 LYS HEx 1.0 1.989 5.417 2612 2086 B 73 LYS HBy B 73 LYS HE2 1.0 1.989 5.417 2613 2086 B 73 LYS HBy B 73 LYS HE3 1.0 1.989 5.417 2614 2087 B 44 LYS HBx B 43 SER HB2 1.0 1.924 7.640 2615 2087 B 65 GLY HAx B 44 LYS HBx 1.0 1.924 7.640 2616 2088 B 44 LYS HBy B 43 SER HB3 1.0 1.998 5.792 2617 2088 B 44 LYS HBy B 43 SER HB2 1.0 1.998 5.792 2618 2089 B 82 GLU HGy B 83 GLY H 1.0 1.914 7.746 2619 2089 B 82 GLU HGy B 52 LYS H 1.0 1.914 7.746 2620 2090 A 13 PRO HGy B 99 PHE HBx 1.0 1.949 7.327 2621 2090 A 13 PRO HGx B 99 PHE HBx 1.0 1.949 7.327 2622 2091 B 88 ILE HG2% B 44 LYS HEx 1.0 1.922 4.502 2623 2091 B 88 ILE HG2% B 44 LYS HEy 1.0 1.922 4.502 2624 2092 B 63 ILE HB B 85 LEU HDy% 1.0 1.933 7.535 2625 2092 B 63 ILE HB B 85 LEU HDx% 1.0 1.933 7.535 2626 2093 B 98 ARG HBx B 98 ARG HD2 1.0 1.766 3.496 2627 2093 B 98 ARG HBx B 98 ARG HD3 1.0 1.766 3.496 2628 2094 B 98 ARG HGx B 98 ARG HD2 1.0 1.587 2.777 2629 2094 B 98 ARG HGx B 98 ARG HD3 1.0 1.587 2.777 2630 2095 B 98 ARG HGy B 98 ARG HD3 1.0 1.654 3.022 2631 2095 B 98 ARG HGy B 98 ARG HD2 1.0 1.654 3.022 2632 2096 B 96 VAL HGx% B 98 ARG HD2 1.0 1.941 4.677 2633 2096 B 96 VAL HGx% B 98 ARG HD3 1.0 1.941 4.677 2634 2097 B 70 TYR HBx B 63 ILE HD1% 1.0 1.925 4.525 2635 2097 B 46 ILE HG2% B 48 ARG HDy 1.0 1.925 4.525 2636 2097 B 86 ILE HD1% B 48 ARG HDy 1.0 1.925 4.525 2637 2098 A 27 TRP HZ3 B 70 TYR HBx 1.0 1.864 4.054 2638 2098 B 70 TYR HBx A 27 TRP HH2 1.0 1.864 4.054 2639 2099 B 70 TYR HBy B 47 LEU HG 1.0 1.971 5.059 2640 2099 A 25 VAL HGy% B 70 TYR HBy 1.0 1.971 5.059 2641 2100 B 48 ARG HDy B 48 ARG HBy 1.0 1.686 3.146 2642 2100 B 48 ARG HGy B 48 ARG HDy 1.0 1.686 3.146 2643 2101 B 48 ARG HDx B 48 ARG HBy 1.0 1.726 3.310 2644 2101 B 48 ARG HGy B 48 ARG HDx 1.0 1.726 3.310 2645 2102 B 39 PRO HDx B 39 PRO HG2 1.0 1.635 2.949 2646 2102 B 39 PRO HDx B 39 PRO HG3 1.0 1.635 2.949 2647 2103 B 48 ARG HA B 60 GLU HGy 1.0 1.998 6.228 2648 2103 B 48 ARG HA B 60 GLU HGx 1.0 1.998 6.228 2649 2104 B 40 SER HA B 40 SER HB2 1.0 1.558 2.682 2650 2104 B 40 SER HA B 40 SER HB3 1.0 1.558 2.682 2651 2105 B 41 HIS HA B 41 HIS HB2 1.0 1.588 2.782 2652 2105 B 41 HIS HA B 41 HIS HB3 1.0 1.588 2.782 2653 2106 B 88 ILE HB B 43 SER HB3 1.0 1.868 4.082 2654 2106 B 87 SER HB2 B 95 GLU HBx 1.0 1.868 4.082 2655 2106 B 87 SER HB3 B 95 GLU HBx 1.0 1.868 4.082 2656 2106 B 87 SER HB3 B 42 ILE HB 1.0 1.868 4.082 2657 2107 B 43 SER HA B 43 SER HB3 1.0 1.635 2.949 2658 2107 B 43 SER HA B 43 SER HB2 1.0 1.635 2.949 2659 2108 B 87 SER HB3 B 45 TYR HDy 1.0 1.984 5.296 2660 2108 B 87 SER HB3 B 45 TYR HDx 1.0 1.984 5.296 2661 2108 B 45 TYR HDy B 87 SER HB2 1.0 1.984 5.296 2662 2108 B 45 TYR HDx B 87 SER HB2 1.0 1.984 5.296 2663 2109 B 87 SER HB3 B 45 TYR HEx 1.0 1.965 4.963 2664 2109 B 45 TYR HEy B 87 SER HB2 1.0 1.965 4.963 2665 2109 B 45 TYR HEx B 87 SER HB2 1.0 1.965 4.963 2666 2109 B 87 SER HB3 B 45 TYR HEy 1.0 1.965 4.963 2667 2110 B 46 ILE HA B 46 ILE HD1% 1.0 1.658 3.032 2668 2110 B 46 ILE HA B 46 ILE HG2% 1.0 1.658 3.032 2669 2111 B 53 ASN HA B 53 ASN HB3 1.0 1.671 3.087 2670 2111 B 53 ASN HA B 53 ASN HB2 1.0 1.671 3.087 2671 2112 B 63 ILE HA B 64 PRO HD3 1.0 1.565 2.703 2672 2112 B 63 ILE HA B 64 PRO HD2 1.0 1.565 2.703 2673 2113 B 66 HIS H B 66 HIS HA 1.0 1.859 4.017 2674 2113 B 66 HIS HA B 67 LEU H 1.0 1.859 4.017 2675 2114 B 87 SER HB3 B 87 SER HA 1.0 1.679 3.117 2676 2114 B 87 SER HA B 87 SER HB2 1.0 1.679 3.117 2677 2115 B 69 SER HA B 69 SER HBx 1.0 1.696 3.186 2678 2115 B 69 SER HA B 69 SER HBy 1.0 1.696 3.186 2679 2116 B 87 SER HA B 88 ILE HD1% 1.0 1.893 4.259 2680 2116 B 87 SER HA B 86 ILE HG2% 1.0 1.893 4.259 2681 2116 A 24 VAL HGx% B 69 SER HA 1.0 1.893 4.259 2682 2116 B 87 SER HA B 46 ILE HD1% 1.0 1.893 4.259 2683 2117 B 73 LYS HA B 73 LYS HG2 1.0 1.595 2.805 2684 2117 B 73 LYS HA B 73 LYS HG3 1.0 1.595 2.805 2685 2118 B 65 GLY HAx B 66 HIS H 1.0 1.866 4.058 2686 2118 B 65 GLY H B 65 GLY HAx 1.0 1.866 4.058 2687 2119 B 64 PRO HBx B 64 PRO HD3 1.0 1.758 3.462 2688 2119 B 64 PRO HBx B 64 PRO HD2 1.0 1.758 3.462 2689 2120 B 68 ASN HA A 27 TRP HZ2 1.0 1.851 3.965 2690 2120 B 69 SER H B 68 ASN HA 1.0 1.851 3.965 2691 2121 B 38 GLN HA B 39 PRO HDy 1.0 1.494 2.482 2692 2121 B 37 PRO HDy B 36 ALA HA 1.0 1.494 2.482 2693 2122 B 38 GLN HA B 39 PRO HDx 1.0 1.620 2.892 2694 2122 B 37 PRO HDx B 36 ALA HA 1.0 1.620 2.892 2695 2123 B 100 ASP HB2 B 100 ASP HA 1.0 1.766 3.496 2696 2123 B 100 ASP HA B 100 ASP HB3 1.0 1.766 3.496 2697 2124 B 38 GLN HA B 38 GLN HG3 1.0 1.915 4.437 2698 2124 B 38 GLN HA B 38 GLN HG2 1.0 1.915 4.437 2699 2125 B 85 LEU HA B 47 LEU HD1% 1.0 1.719 3.283 2700 2125 B 85 LEU HA B 47 LEU HD2% 1.0 1.719 3.283 2701 2126 B 94 GLN HA B 94 GLN HBy 1.0 1.701 3.205 2702 2126 B 94 GLN HBx B 94 GLN HA 1.0 1.701 3.205 2703 2127 B 60 GLU HA B 60 GLU HGy 1.0 1.818 3.768 2704 2127 B 60 GLU HA B 60 GLU HGx 1.0 1.818 3.768 2705 2128 B 60 GLU HA B 60 GLU HB3 1.0 1.684 3.136 2706 2128 B 60 GLU HA B 60 GLU HB2 1.0 1.684 3.136 2707 2129 B 98 ARG HA B 98 ARG HD3 1.0 1.996 6.362 2708 2129 B 98 ARG HA B 98 ARG HD2 1.0 1.996 6.362 2709 2130 B 45 TYR HA B 85 LEU HDy% 1.0 1.934 4.612 2710 2130 B 45 TYR HA B 85 LEU HDx% 1.0 1.934 4.612 2711 2131 B 57 ARG HA B 57 ARG HD3 1.0 1.859 4.013 2712 2131 B 57 ARG HA B 57 ARG HD2 1.0 1.859 4.013 2713 2132 B 57 ARG HA B 57 ARG HG3 1.0 1.667 3.069 2714 2132 B 57 ARG HA B 57 ARG HG2 1.0 1.667 3.069 2715 2132 B 57 ARG HA B 57 ARG HBy 1.0 1.667 3.069 2716 2133 B 100 ASP HB2 B 99 PHE HA 1.0 1.970 5.044 2717 2133 B 99 PHE HA B 100 ASP HB3 1.0 1.970 5.044 2718 2134 B 90 GLN HA B 90 GLN HGy 1.0 1.714 3.260 2719 2134 B 90 GLN HBx B 90 GLN HA 1.0 1.714 3.260 2720 2135 B 52 LYS HA B 52 LYS HBy 1.0 1.701 3.207 2721 2135 B 52 LYS HD3 B 52 LYS HA 1.0 1.701 3.207 2722 2136 B 52 LYS HA B 52 LYS HGx 1.0 1.720 3.288 2723 2136 B 52 LYS HA B 52 LYS HBx 1.0 1.720 3.288 2724 2137 B 37 PRO HA B 37 PRO HBy 1.0 1.528 2.586 2725 2137 B 39 PRO HBy B 39 PRO HA 1.0 1.528 2.586 2726 2138 B 37 PRO HA B 37 PRO HG2 1.0 1.858 4.012 2727 2138 B 37 PRO HA B 37 PRO HG3 1.0 1.858 4.012 2728 2139 B 42 ILE HD1% B 87 SER HB3 1.0 1.946 4.730 2729 2139 B 42 ILE HD1% B 87 SER HB2 1.0 1.946 4.730 2730 2140 B 88 ILE HG2% B 43 SER HB2 1.0 1.790 3.618 2731 2140 B 88 ILE HG2% B 43 SER HB3 1.0 1.790 3.618 2732 2141 B 38 GLN H B 38 GLN HG2 1.0 1.996 5.634 2733 2141 B 38 GLN H B 38 GLN HG3 1.0 1.996 5.634 2734 2142 B 37 PRO HDx B 38 GLN H 1.0 1.835 8.465 2735 2142 B 39 PRO HDx B 38 GLN H 1.0 1.835 8.465 2736 2143 B 39 PRO HDy B 38 GLN H 1.0 1.837 8.449 2737 2143 B 37 PRO HDy B 38 GLN H 1.0 1.837 8.449 2738 2144 B 40 SER H B 40 SER HB3 1.0 1.954 4.822 2739 2144 B 40 SER H B 40 SER HB2 1.0 1.954 4.822 2740 2145 B 87 SER HB3 B 42 ILE H 1.0 1.878 8.102 2741 2145 A 30 PRO HDy B 42 ILE H 1.0 1.878 8.102 2742 2145 B 42 ILE H B 43 SER HB3 1.0 1.878 8.102 2743 2145 B 42 ILE H B 65 GLY HAx 1.0 1.878 8.102 2744 2145 B 42 ILE H B 43 SER HB2 1.0 1.878 8.102 2745 2146 B 42 ILE H B 65 GLY HAy 1.0 1.942 7.414 2746 2146 B 42 ILE H B 40 SER HB2 1.0 1.942 7.414 2747 2146 B 42 ILE H B 40 SER HB3 1.0 1.942 7.414 2748 2147 B 44 LYS HBx B 43 SER H 1.0 1.866 8.204 2749 2147 B 90 GLN HBy B 43 SER H 1.0 1.866 8.204 2750 2148 B 43 SER HB2 B 43 SER H 1.0 1.719 3.285 2751 2148 B 43 SER H B 43 SER HB3 1.0 1.719 3.285 2752 2149 B 88 ILE H B 43 SER H 1.0 1.990 5.460 2753 2149 B 42 ILE H B 43 SER H 1.0 1.990 5.460 2754 2150 B 44 LYS H B 43 SER HB2 1.0 1.776 3.544 2755 2150 B 44 LYS H B 43 SER HB3 1.0 1.776 3.544 2756 2151 B 44 LYS H B 44 LYS HD2 1.0 1.956 7.224 2757 2151 B 44 LYS H B 44 LYS HD3 1.0 1.956 7.224 2758 2152 B 44 LYS HEx B 44 LYS H 1.0 1.728 9.224 2759 2152 B 44 LYS HEy B 44 LYS H 1.0 1.728 9.224 2760 2153 B 88 ILE HD1% B 44 LYS H 1.0 2.000 5.882 2761 2153 B 46 ILE HD1% B 44 LYS H 1.0 2.000 5.882 2762 2154 B 42 ILE HD1% B 44 LYS H 1.0 1.989 5.421 2763 2154 B 88 ILE HG2% B 44 LYS H 1.0 1.989 5.421 2764 2155 B 89 GLN HGx B 44 LYS H 1.0 1.722 9.264 2765 2155 B 45 TYR HBx B 44 LYS H 1.0 1.722 9.264 2766 2156 B 45 TYR H B 64 PRO HD2 1.0 1.951 7.309 2767 2156 B 45 TYR H B 64 PRO HD3 1.0 1.951 7.309 2768 2157 B 45 TYR H B 44 LYS HEx 1.0 1.588 10.046 2769 2157 B 45 TYR H B 44 LYS HEy 1.0 1.588 10.046 2770 2158 B 48 ARG HE B 46 ILE H 1.0 1.925 7.623 2771 2158 B 45 TYR HEy B 46 ILE H 1.0 1.925 7.623 2772 2158 B 45 TYR HEx B 46 ILE H 1.0 1.925 7.623 2773 2159 B 87 SER HB2 B 46 ILE H 1.0 1.948 7.346 2774 2159 B 87 SER HB3 B 46 ILE H 1.0 1.948 7.346 2775 2160 B 46 ILE H B 86 ILE HG1x 1.0 1.999 6.149 2776 2160 B 85 LEU HBx B 46 ILE H 1.0 1.999 6.149 2777 2160 B 46 ILE H B 88 ILE HG1y 1.0 1.999 6.149 2778 2161 B 46 ILE H B 47 LEU HD2% 1.0 1.941 4.687 2779 2161 B 44 LYS HGx B 46 ILE H 1.0 1.941 4.687 2780 2161 B 47 LEU HBx B 46 ILE H 1.0 1.941 4.687 2781 2162 B 47 LEU H B 60 GLU HGx 1.0 1.951 7.295 2782 2162 B 47 LEU H B 60 GLU HGy 1.0 1.951 7.295 2783 2163 B 48 ARG H B 99 PHE HZ 1.0 1.978 6.866 2784 2163 B 99 PHE HEx B 48 ARG H 1.0 1.978 6.866 2785 2163 B 99 PHE HEy B 48 ARG H 1.0 1.978 6.866 2786 2164 B 48 ARG H B 84 GLN HG3 1.0 1.938 7.474 2787 2164 B 48 ARG H B 84 GLN HG2 1.0 1.938 7.474 2788 2165 B 48 ARG H B 84 GLN HB2 1.0 1.926 4.530 2789 2165 B 48 ARG H B 84 GLN HB3 1.0 1.926 4.530 2790 2166 B 49 TRP HD1 B 49 TRP H 1.0 1.999 5.791 2791 2166 B 49 TRP HZ3 B 49 TRP H 1.0 1.999 5.791 2792 2167 B 60 GLU HGy B 49 TRP H 1.0 1.935 7.511 2793 2167 B 60 GLU HGx B 49 TRP H 1.0 1.935 7.511 2794 2168 B 50 ARG HBy B 49 TRP H 1.0 1.994 5.564 2795 2168 B 48 ARG HGy B 49 TRP H 1.0 1.994 5.564 2796 2168 B 48 ARG HBy B 49 TRP H 1.0 1.994 5.564 2797 2169 B 49 TRP H B 47 LEU HD2% 1.0 1.914 7.740 2798 2169 B 49 TRP H B 47 LEU HD1% 1.0 1.914 7.740 2799 2170 B 58 TRP HBy B 50 ARG H 1.0 1.794 8.772 2800 2170 B 50 ARG H B 50 ARG HDx 1.0 1.794 8.772 2801 2171 B 75 LEU HD1% B 50 ARG H 1.0 1.912 7.762 2802 2171 B 75 LEU HD2% B 50 ARG H 1.0 1.912 7.762 2803 2172 B 52 LYS H B 52 LYS HE2 1.0 1.651 9.693 2804 2172 B 52 LYS H B 52 LYS HE3 1.0 1.651 9.693 2805 2173 B 52 LYS H B 51 PRO HD2 1.0 1.815 8.619 2806 2173 B 52 LYS H B 51 PRO HD3 1.0 1.815 8.619 2807 2174 B 82 GLU HBx B 52 LYS H 1.0 1.975 5.127 2808 2174 B 81 TYR HBx B 52 LYS H 1.0 1.975 5.127 2809 2174 B 52 LYS H B 80 VAL HB 1.0 1.975 5.127 2810 2175 B 81 TYR HBy B 52 LYS H 1.0 1.998 5.772 2811 2175 B 79 VAL HGy% B 52 LYS H 1.0 1.998 5.772 2812 2176 B 50 ARG HA B 52 LYS H 1.0 1.804 8.694 2813 2176 B 82 GLU HA B 52 LYS H 1.0 1.804 8.694 2814 2177 B 53 ASN H B 53 ASN HB2 1.0 1.854 3.984 2815 2177 B 53 ASN H B 53 ASN HB3 1.0 1.854 3.984 2816 2178 B 82 GLU HBx B 53 ASN H 1.0 1.955 7.249 2817 2178 B 81 TYR HBx B 53 ASN H 1.0 1.955 7.249 2818 2178 B 76 LYS HBx B 53 ASN H 1.0 1.955 7.249 2819 2179 B 82 GLU H B 53 ASN H 1.0 1.791 8.797 2820 2179 B 50 ARG H B 53 ASN H 1.0 1.791 8.797 2821 2180 B 56 GLY H B 51 PRO HD3 1.0 1.934 7.522 2822 2180 B 56 GLY H B 51 PRO HD2 1.0 1.934 7.522 2823 2181 B 55 VAL HGy% B 57 ARG H 1.0 1.903 7.865 2824 2181 B 55 VAL HGx% B 57 ARG H 1.0 1.903 7.865 2825 2182 B 57 ARG H B 57 ARG HG3 1.0 1.620 2.894 2826 2182 B 57 ARG HBy B 57 ARG H 1.0 1.620 2.894 2827 2183 B 57 ARG H B 57 ARG HD2 1.0 1.973 6.963 2828 2183 B 57 ARG H B 57 ARG HD3 1.0 1.973 6.963 2829 2184 B 58 TRP H B 57 ARG HD3 1.0 1.965 7.089 2830 2184 B 58 TRP H B 57 ARG HD2 1.0 1.965 7.089 2831 2185 B 58 TRP H B 57 ARG HG2 1.0 1.921 4.491 2832 2185 B 57 ARG HBy B 58 TRP H 1.0 1.921 4.491 2833 2186 B 58 TRP H B 58 TRP HA 1.0 1.510 2.530 2834 2186 B 57 ARG HA B 58 TRP H 1.0 1.510 2.530 2835 2187 B 50 ARG HBy B 59 LYS H 1.0 1.864 4.052 2836 2187 B 59 LYS H B 59 LYS HGx 1.0 1.864 4.052 2837 2188 B 59 LYS H B 59 LYS HDx 1.0 1.990 5.432 2838 2188 B 59 LYS H B 59 LYS HDy 1.0 1.990 5.432 2839 2188 B 48 ARG HBx B 59 LYS H 1.0 1.990 5.432 2840 2189 B 59 LYS H B 60 GLU HGy 1.0 2.000 6.018 2841 2189 B 59 LYS H B 60 GLU HGx 1.0 2.000 6.018 2842 2190 B 59 LYS H B 59 LYS HE2 1.0 1.787 8.823 2843 2190 B 59 LYS H B 59 LYS HE3 1.0 1.787 8.823 2844 2191 B 59 LYS H B 51 PRO HD3 1.0 1.859 8.267 2845 2191 B 59 LYS H B 51 PRO HD2 1.0 1.859 8.267 2846 2192 B 49 TRP HD1 B 59 LYS H 1.0 1.970 7.020 2847 2192 B 49 TRP HZ3 B 59 LYS H 1.0 1.970 7.020 2848 2193 B 58 TRP HZ3 B 59 LYS H 1.0 1.937 7.483 2849 2193 B 59 LYS H B 49 TRP HE3 1.0 1.937 7.483 2850 2194 B 60 GLU H B 60 GLU HB2 1.0 1.708 3.236 2851 2194 B 60 GLU H B 60 GLU HB3 1.0 1.708 3.236 2852 2195 B 61 ALA HB% B 60 GLU H 1.0 1.994 5.586 2853 2195 B 60 GLU H B 59 LYS HGy 1.0 1.994 5.586 2854 2196 B 59 LYS HGx B 60 GLU H 1.0 1.995 5.609 2855 2196 B 60 GLU H B 48 ARG HGy 1.0 1.995 5.609 2856 2197 B 60 GLU H B 59 LYS HE2 1.0 1.856 8.290 2857 2197 B 60 GLU H B 59 LYS HE3 1.0 1.856 8.290 2858 2198 B 60 GLU HGy B 61 ALA H 1.0 2.000 6.112 2859 2198 B 61 ALA H B 60 GLU HGx 1.0 2.000 6.112 2860 2199 B 61 ALA H B 60 GLU HB3 1.0 1.802 3.682 2861 2199 B 61 ALA H B 60 GLU HB2 1.0 1.802 3.682 2862 2200 B 61 ALA H B 72 ILE HG1x 1.0 1.966 7.070 2863 2200 B 72 ILE HD1% B 61 ALA H 1.0 1.966 7.070 2864 2200 B 61 ALA H B 85 LEU HDy% 1.0 1.966 7.070 2865 2201 B 49 TRP HZ3 B 62 THR H 1.0 1.946 7.374 2866 2201 B 62 THR H B 70 TYR HEx 1.0 1.946 7.374 2867 2201 B 62 THR H B 70 TYR HEy 1.0 1.946 7.374 2868 2202 B 62 THR H B 60 GLU HB2 1.0 1.975 6.923 2869 2202 B 62 THR H B 60 GLU HB3 1.0 1.975 6.923 2870 2202 B 47 LEU HBy B 62 THR H 1.0 1.975 6.923 2871 2203 B 62 THR H B 44 LYS HD3 1.0 1.854 8.312 2872 2203 B 62 THR H B 44 LYS HD2 1.0 1.854 8.312 2873 2204 B 62 THR H B 46 ILE HD1% 1.0 1.999 6.165 2874 2204 B 46 ILE HG2% B 62 THR H 1.0 1.999 6.165 2875 2205 B 63 ILE HG2% B 63 ILE H 1.0 1.866 4.068 2876 2205 B 63 ILE HG1y B 63 ILE H 1.0 1.866 4.068 2877 2206 B 63 ILE H B 64 PRO HD3 1.0 1.989 5.421 2878 2206 B 62 THR HB B 63 ILE H 1.0 1.989 5.421 2879 2207 B 65 GLY H B 64 PRO HG2 1.0 1.901 7.875 2880 2207 B 65 GLY H B 64 PRO HG3 1.0 1.901 7.875 2881 2208 B 65 GLY H B 66 HIS HD2 1.0 1.989 6.609 2882 2208 B 65 GLY H B 45 TYR HEy 1.0 1.989 6.609 2883 2208 B 65 GLY H B 45 TYR HEx 1.0 1.989 6.609 2884 2209 B 67 LEU HD1% B 66 HIS H 1.0 1.994 6.442 2885 2209 B 66 HIS H B 67 LEU HD2% 1.0 1.994 6.442 2886 2210 B 66 HIS H B 64 PRO HG2 1.0 1.722 9.258 2887 2210 B 66 HIS H B 64 PRO HG3 1.0 1.722 9.258 2888 2211 B 45 TYR HEx B 66 HIS H 1.0 1.990 5.456 2889 2211 B 66 HIS H B 66 HIS HD2 1.0 1.990 5.456 2890 2211 B 45 TYR HEy B 66 HIS H 1.0 1.990 5.456 2891 2212 B 67 LEU HD1% B 67 LEU H 1.0 1.835 3.865 2892 2212 B 67 LEU HD2% B 67 LEU H 1.0 1.835 3.865 2893 2213 B 64 PRO HG2 B 67 LEU H 1.0 1.768 8.960 2894 2213 B 64 PRO HG3 B 67 LEU H 1.0 1.768 8.960 2895 2214 B 69 SER HBx B 68 ASN H 1.0 1.992 6.526 2896 2214 B 69 SER HBy B 68 ASN H 1.0 1.992 6.526 2897 2215 B 67 LEU HD2% B 68 ASN H 1.0 1.949 4.771 2898 2215 B 67 LEU HD1% B 68 ASN H 1.0 1.949 4.771 2899 2216 B 67 LEU HD1% B 69 SER H 1.0 1.987 5.381 2900 2216 B 67 LEU HD2% B 69 SER H 1.0 1.987 5.381 2901 2217 B 69 SER HBx B 70 TYR H 1.0 1.875 4.123 2902 2217 B 70 TYR H B 69 SER HBy 1.0 1.875 4.123 2903 2218 B 72 ILE HD1% B 71 THR H 1.0 1.916 7.722 2904 2218 B 72 ILE HG1x B 71 THR H 1.0 1.916 7.722 2905 2219 A 24 VAL HGx% B 71 THR H 1.0 1.998 5.726 2906 2219 A 25 VAL HGx% B 71 THR H 1.0 1.998 5.726 2907 2220 B 71 THR H B 47 LEU HD1% 1.0 1.961 7.147 2908 2220 B 71 THR H B 47 LEU HD2% 1.0 1.961 7.147 2909 2221 B 63 ILE HG2% B 71 THR H 1.0 1.877 8.105 2910 2221 B 63 ILE HG1y B 71 THR H 1.0 1.877 8.105 2911 2222 B 71 THR H B 73 LYS HE2 1.0 1.930 7.570 2912 2222 B 71 THR H B 73 LYS HE3 1.0 1.930 7.570 2913 2223 A 27 TRP HZ3 B 71 THR H 1.0 1.744 9.114 2914 2223 A 27 TRP HH2 B 71 THR H 1.0 1.744 9.114 2915 2224 B 73 LYS HG2 B 73 LYS H 1.0 1.793 3.635 2916 2224 B 73 LYS H B 73 LYS HG3 1.0 1.793 3.635 2917 2225 B 73 LYS H B 73 LYS HE2 1.0 1.876 8.112 2918 2225 B 73 LYS H B 73 LYS HE3 1.0 1.876 8.112 2919 2226 B 72 ILE HG1x B 73 LYS H 1.0 2.000 5.962 2920 2226 B 72 ILE HD1% B 73 LYS H 1.0 2.000 5.962 2921 2227 B 74 GLY H B 75 LEU HB3 1.0 1.993 5.519 2922 2227 B 73 LYS HG2 B 74 GLY H 1.0 1.993 5.519 2923 2227 B 74 GLY H B 73 LYS HG3 1.0 1.993 5.519 2924 2228 B 75 LEU HD1% B 74 GLY H 1.0 1.871 8.165 2925 2228 B 75 LEU HD2% B 74 GLY H 1.0 1.871 8.165 2926 2229 B 75 LEU H B 75 LEU HD1% 1.0 1.934 4.608 2927 2229 B 75 LEU H B 75 LEU HD2% 1.0 1.934 4.608 2928 2230 A 21 THR HB B 75 LEU H 1.0 1.775 3.539 2929 2230 A 21 THR HA B 75 LEU H 1.0 1.775 3.539 2930 2231 A 21 THR HA B 76 LYS H 1.0 1.990 5.438 2931 2231 A 21 THR HB B 76 LYS H 1.0 1.990 5.438 2932 2232 B 76 LYS H B 76 LYS HE2 1.0 1.408 10.944 2933 2232 B 76 LYS H B 76 LYS HE3 1.0 1.408 10.944 2934 2233 B 76 LYS H B 75 LEU HB2 1.0 1.869 4.079 2935 2233 B 76 LYS H B 75 LEU HB3 1.0 1.869 4.079 2936 2234 B 81 TYR H B 100 ASP HB2 1.0 1.837 8.443 2937 2234 B 81 TYR H B 100 ASP HB3 1.0 1.837 8.443 2938 2235 B 52 LYS HBy B 81 TYR H 1.0 1.933 7.527 2939 2235 B 81 TYR H B 52 LYS HD2 1.0 1.933 7.527 2940 2236 B 81 TYR H B 81 TYR HEy 1.0 1.998 5.740 2941 2236 B 81 TYR H B 81 TYR HEx 1.0 1.998 5.740 2942 2236 B 101 PHE HDy B 81 TYR H 1.0 1.998 5.740 2943 2236 B 101 PHE HDx B 81 TYR H 1.0 1.998 5.740 2944 2237 B 52 LYS HGx B 82 GLU H 1.0 1.973 5.109 2945 2237 B 52 LYS HGy B 82 GLU H 1.0 1.973 5.109 2946 2238 B 82 GLU H B 100 ASP HB2 1.0 1.951 7.307 2947 2238 B 82 GLU H B 83 GLY HAx 1.0 1.951 7.307 2948 2239 B 101 PHE HBy B 82 GLU H 1.0 1.750 9.074 2949 2239 B 82 GLU H B 51 PRO HD2 1.0 1.750 9.074 2950 2239 B 82 GLU H B 51 PRO HD3 1.0 1.750 9.074 2951 2240 B 52 LYS HA B 82 GLU H 1.0 1.893 4.257 2952 2240 B 49 TRP HBy B 82 GLU H 1.0 1.893 4.257 2953 2241 B 83 GLY HAy B 82 GLU H 1.0 1.947 7.365 2954 2241 B 82 GLU H B 100 ASP HA 1.0 1.947 7.365 2955 2242 B 82 GLU H B 58 TRP HH2 1.0 1.991 6.549 2956 2242 B 58 TRP HZ3 B 82 GLU H 1.0 1.991 6.549 2957 2243 B 52 LYS HGx B 83 GLY H 1.0 1.747 9.099 2958 2243 B 52 LYS HBx B 83 GLY H 1.0 1.747 9.099 2959 2243 B 52 LYS HGy B 83 GLY H 1.0 1.747 9.099 2960 2243 B 50 ARG HBy B 83 GLY H 1.0 1.747 9.099 2961 2243 B 48 ARG HBy B 83 GLY H 1.0 1.747 9.099 2962 2244 A 25 VAL HGy% B 83 GLY H 1.0 1.993 6.477 2963 2244 B 81 TYR HBy B 83 GLY H 1.0 1.993 6.477 2964 2245 B 84 GLN H B 84 GLN HB2 1.0 1.832 3.852 2965 2245 B 84 GLN H B 84 GLN HB3 1.0 1.832 3.852 2966 2246 B 84 GLN H B 84 GLN HG3 1.0 1.922 4.494 2967 2246 B 84 GLN H B 84 GLN HG2 1.0 1.922 4.494 2968 2247 B 83 GLY H B 84 GLN H 1.0 1.999 6.187 2969 2247 B 49 TRP H B 84 GLN H 1.0 1.999 6.187 2970 2248 B 84 GLN H B 47 LEU HD2% 1.0 1.940 4.674 2971 2248 B 84 GLN H B 47 LEU HD1% 1.0 1.940 4.674 2972 2249 B 85 LEU HDy% B 85 LEU H 1.0 1.996 6.356 2973 2249 B 85 LEU HDx% B 85 LEU H 1.0 1.996 6.356 2974 2250 B 85 LEU H B 84 GLN HB2 1.0 1.879 4.157 2975 2250 B 85 LEU H B 84 GLN HB3 1.0 1.879 4.157 2976 2251 B 85 LEU H B 84 GLN HG2 1.0 1.993 6.497 2977 2251 B 85 LEU H B 84 GLN HG3 1.0 1.993 6.497 2978 2252 B 97 THR HA B 85 LEU H 1.0 1.998 6.224 2979 2252 B 96 VAL HA B 85 LEU H 1.0 1.998 6.224 2980 2253 B 84 GLN H B 85 LEU H 1.0 2.000 6.048 2981 2253 B 48 ARG H B 85 LEU H 1.0 2.000 6.048 2982 2254 B 86 ILE H B 85 LEU H 1.0 2.000 6.036 2983 2254 B 87 SER H B 86 ILE H 1.0 2.000 6.036 2984 2255 B 85 LEU HDy% B 86 ILE H 1.0 1.908 4.372 2985 2255 B 85 LEU HDx% B 86 ILE H 1.0 1.908 4.372 2986 2256 B 87 SER H B 95 GLU HG2 1.0 1.901 7.875 2987 2256 B 87 SER H B 95 GLU HG3 1.0 1.901 7.875 2988 2257 B 88 ILE H B 46 ILE H 1.0 1.978 6.858 2989 2257 B 88 ILE H B 45 TYR H 1.0 1.978 6.858 2990 2258 B 88 ILE H B 44 LYS HGx 1.0 1.987 5.389 2991 2258 B 42 ILE HG1x B 88 ILE H 1.0 1.987 5.389 2992 2259 B 88 ILE H B 85 LEU HDx% 1.0 1.795 8.767 2993 2259 B 88 ILE H B 85 LEU HDy% 1.0 1.795 8.767 2994 2260 B 89 GLN HGx B 88 ILE H 1.0 1.961 7.163 2995 2260 B 88 ILE H B 45 TYR HBx 1.0 1.961 7.163 2996 2261 B 88 ILE H B 86 ILE HB 1.0 1.947 7.349 2997 2261 B 88 ILE H B 44 LYS HBy 1.0 1.947 7.349 2998 2261 B 88 ILE H B 89 GLN HBy 1.0 1.947 7.349 2999 2262 B 89 GLN H B 43 SER HB3 1.0 1.978 6.848 3000 2262 B 43 SER HB2 B 89 GLN H 1.0 1.978 6.848 3001 2263 B 58 TRP HE1 B 58 TRP HZ2 1.0 1.533 2.601 3002 2263 B 58 TRP HD1 B 58 TRP HE1 1.0 1.533 2.601 3003 2264 B 57 ARG HA B 58 TRP HE1 1.0 2.000 6.036 3004 2264 B 58 TRP HA B 58 TRP HE1 1.0 2.000 6.036 3005 2265 B 58 TRP HE1 B 57 ARG HG2 1.0 1.885 8.031 3006 2265 B 57 ARG HBy B 58 TRP HE1 1.0 1.885 8.031 3007 2265 B 58 TRP HE1 B 57 ARG HG3 1.0 1.885 8.031 3008 2266 B 63 ILE H B 85 LEU HDx% 1.0 1.920 7.674 3009 2266 B 63 ILE H B 85 LEU HDy% 1.0 1.920 7.674 3010 2267 B 46 ILE HB B 63 ILE H 1.0 1.981 6.787 3011 2267 B 63 ILE H B 44 LYS HD2 1.0 1.981 6.787 3012 2267 B 63 ILE H B 44 LYS HD3 1.0 1.981 6.787 3013 2268 B 63 ILE H A 27 TRP HZ2 1.0 1.843 8.399 3014 2268 A 27 TRP HH2 B 63 ILE H 1.0 1.843 8.399 3015 2269 B 65 GLY H B 63 ILE HA 1.0 1.856 8.290 3016 2269 B 65 GLY H B 66 HIS HA 1.0 1.856 8.290 3017 2270 B 65 GLY H B 62 THR HG2% 1.0 1.963 7.113 3018 2270 B 65 GLY H B 44 LYS HGy 1.0 1.963 7.113 3019 2271 B 65 GLY H B 67 LEU HD2% 1.0 1.789 8.815 3020 2271 B 65 GLY H B 67 LEU HD1% 1.0 1.789 8.815 3021 2272 B 65 GLY H B 67 LEU HBy 1.0 1.830 8.504 3022 2272 B 65 GLY H B 44 LYS HD2 1.0 1.830 8.504 3023 2272 B 65 GLY H B 44 LYS HD3 1.0 1.830 8.504 3024 2273 B 59 LYS HA B 49 TRP HE1 1.0 1.476 10.620 3025 2273 B 49 TRP HE1 B 58 TRP HA 1.0 1.476 10.620 3026 2274 B 49 TRP HE1 B 59 LYS HE2 1.0 2.000 6.066 3027 2274 B 59 LYS HE3 B 49 TRP HE1 1.0 2.000 6.066 3028 2275 B 59 LYS HDy B 49 TRP HE1 1.0 1.780 3.568 3029 2275 B 59 LYS HDx B 49 TRP HE1 1.0 1.780 3.568 3030 2276 B 72 ILE HD1% B 49 TRP HE1 1.0 1.970 5.042 3031 2276 B 72 ILE HG1x B 49 TRP HE1 1.0 1.970 5.042 3032 2277 B 72 ILE HD1% B 72 ILE H 1.0 1.971 5.069 3033 2277 B 72 ILE HG1x B 72 ILE H 1.0 1.971 5.069 3034 2278 B 59 LYS HDx B 72 ILE H 1.0 1.935 7.509 3035 2278 A 24 VAL HB B 72 ILE H 1.0 1.935 7.509 3036 2279 B 73 LYS HA B 72 ILE H 1.0 1.999 6.175 3037 2279 A 23 ILE HA B 72 ILE H 1.0 1.999 6.175 3038 2280 B 98 ARG H B 98 ARG HD2 1.0 1.982 6.776 3039 2280 B 98 ARG H B 98 ARG HD3 1.0 1.982 6.776 3040 2281 B 64 PRO HA B 67 LEU H 1.0 1.855 8.295 3041 2281 B 44 LYS HA B 67 LEU H 1.0 1.855 8.295 3042 2282 B 96 VAL H B 95 GLU HG2 1.0 1.971 6.981 3043 2282 B 96 VAL H B 95 GLU HG3 1.0 1.971 6.981 3044 2283 B 95 GLU H B 95 GLU HG3 1.0 1.892 4.250 3045 2283 B 95 GLU H B 95 GLU HG2 1.0 1.892 4.250 3046 2284 B 87 SER HB3 B 95 GLU H 1.0 1.990 5.438 3047 2284 B 87 SER HB2 B 95 GLU H 1.0 1.990 5.438 3048 2285 B 90 GLN H B 43 SER HB3 1.0 1.975 6.925 3049 2285 B 90 GLN H B 43 SER HB2 1.0 1.975 6.925 3050 2286 B 91 TYR HBy B 90 GLN H 1.0 1.979 6.847 3051 2286 B 90 GLN H B 41 HIS HB2 1.0 1.979 6.847 3052 2287 B 75 LEU H B 75 LEU HB2 1.0 1.745 3.401 3053 2287 B 75 LEU H B 75 LEU HB3 1.0 1.745 3.401 3054 2288 B 100 ASP H B 100 ASP HB3 1.0 1.772 3.524 3055 2288 B 100 ASP HB2 B 100 ASP H 1.0 1.772 3.524 3056 2289 B 99 PHE H B 100 ASP HB3 1.0 1.996 6.316 3057 2289 B 83 GLY HAx B 99 PHE H 1.0 1.996 6.316 3058 2290 B 99 PHE H B 84 GLN HG3 1.0 1.995 6.381 3059 2290 B 99 PHE H B 84 GLN HG2 1.0 1.995 6.381 3060 2291 B 85 LEU HBx B 99 PHE H 1.0 1.975 6.913 3061 2291 A 15 VAL HGy% B 99 PHE H 1.0 1.975 6.913 3062 2291 A 25 VAL HGy% B 99 PHE H 1.0 1.975 6.913 3063 2292 B 98 ARG HGx B 99 PHE H 1.0 1.998 6.244 3064 2292 B 85 LEU HBy B 99 PHE H 1.0 1.998 6.244 3065 2293 A 24 VAL HB B 70 TYR H 1.0 1.956 7.230 3066 2293 B 85 LEU HBy B 70 TYR H 1.0 1.956 7.230 3067 2294 A 26 ARG HBy B 70 TYR H 1.0 1.797 8.755 3068 2294 A 26 ARG HBx B 70 TYR H 1.0 1.797 8.755 3069 2295 A 26 ARG HG2 B 70 TYR H 1.0 1.998 5.764 3070 2295 A 26 ARG HG3 B 70 TYR H 1.0 1.998 5.764 3071 2296 A 24 VAL HGx% B 70 TYR H 1.0 1.831 3.845 3072 2296 A 25 VAL HGx% B 70 TYR H 1.0 1.831 3.845 3073 2297 B 90 GLN HGx B 91 TYR H 1.0 1.998 5.726 3074 2297 B 89 GLN HBy B 91 TYR H 1.0 1.998 5.726 3075 2298 B 90 GLN HGy B 91 TYR H 1.0 1.979 5.197 3076 2298 B 90 GLN HBx B 91 TYR H 1.0 1.979 5.197 3077 2299 B 100 ASP HB2 B 101 PHE H 1.0 1.881 4.173 3078 2299 B 101 PHE H B 100 ASP HB3 1.0 1.881 4.173 3079 2300 B 82 GLU HGy B 101 PHE H 1.0 1.904 7.854 3080 2300 B 82 GLU HBy B 101 PHE H 1.0 1.904 7.854 3081 2301 B 52 LYS HGx B 54 SER H 1.0 1.943 7.413 3082 2301 A 26 ARG HG3 B 68 ASN H 1.0 1.943 7.413 3083 2301 B 52 LYS HGy B 54 SER H 1.0 1.943 7.413 3084 2301 B 52 LYS HBx B 54 SER H 1.0 1.943 7.413 3085 2302 B 54 SER H B 53 ASN HB3 1.0 1.995 5.579 3086 2302 B 54 SER H B 53 ASN HB2 1.0 1.995 5.579 3087 2303 B 38 GLN HG3 B 38 GLN HE22 1.0 1.995 5.627 3088 2303 B 38 GLN HG2 B 38 GLN HE22 1.0 1.995 5.627 3089 2304 B 38 GLN HG3 B 38 GLN HE21 1.0 1.991 5.469 3090 2304 B 38 GLN HG2 B 38 GLN HE21 1.0 1.991 5.469 3091 2305 B 53 ASN HD21 B 53 ASN HD22 1.0 1.200 1.740 3092 2305 B 38 GLN HE22 B 38 GLN HE21 1.0 1.200 1.740 3093 2306 B 53 ASN HB2 B 53 ASN HD22 1.0 1.889 4.229 3094 2306 B 53 ASN HB3 B 53 ASN HD22 1.0 1.889 4.229 3095 2307 B 53 ASN HD21 B 53 ASN HB2 1.0 1.816 3.758 3096 2307 B 53 ASN HD21 B 53 ASN HB3 1.0 1.816 3.758 3097 2308 B 76 LYS HGy B 53 ASN HD22 1.0 1.857 8.287 3098 2308 B 52 LYS HD3 B 53 ASN HD22 1.0 1.857 8.287 3099 2308 B 52 LYS HBy B 53 ASN HD22 1.0 1.857 8.287 3100 2308 B 50 ARG HBx B 53 ASN HD22 1.0 1.857 8.287 3101 2309 B 53 ASN HD21 B 52 LYS HD2 1.0 1.982 6.796 3102 2309 B 52 LYS HD3 B 53 ASN HD21 1.0 1.982 6.796 3103 2309 B 52 LYS HBy B 53 ASN HD21 1.0 1.982 6.796 3104 2310 B 52 LYS HGx B 53 ASN HD21 1.0 1.887 8.019 3105 2310 B 52 LYS HGy B 53 ASN HD21 1.0 1.887 8.019 3106 2310 B 52 LYS HBx B 53 ASN HD21 1.0 1.887 8.019 3107 2311 B 52 LYS HGx B 53 ASN HD22 1.0 1.902 7.876 3108 2311 B 52 LYS HGy B 53 ASN HD22 1.0 1.902 7.876 3109 2311 B 52 LYS HBx B 53 ASN HD22 1.0 1.902 7.876 3110 2312 B 79 VAL HGy% B 53 ASN HD22 1.0 2.000 6.140 3111 2312 B 55 VAL HGy% B 53 ASN HD22 1.0 2.000 6.140 3112 2312 B 55 VAL HGx% B 53 ASN HD22 1.0 2.000 6.140 3113 2313 B 55 VAL HGx% B 53 ASN HD21 1.0 1.992 6.500 3114 2313 B 79 VAL HGy% B 53 ASN HD21 1.0 1.992 6.500 3115 2313 B 55 VAL HGy% B 53 ASN HD21 1.0 1.992 6.500 3116 2314 B 89 GLN HBx B 89 GLN HE22 1.0 1.864 4.048 3117 2314 B 89 GLN HGx B 89 GLN HE22 1.0 1.864 4.048 3118 2315 B 89 GLN HE21 B 89 GLN HBx 1.0 1.937 4.637 3119 2315 B 89 GLN HGx B 89 GLN HE21 1.0 1.937 4.637 3120 2316 A 30 PRO HDy B 89 GLN HE22 1.0 1.944 7.394 3121 2316 B 87 SER HB2 B 89 GLN HE22 1.0 1.944 7.394 3122 2316 B 87 SER HB3 B 89 GLN HE22 1.0 1.944 7.394 3123 2317 B 89 GLN HE21 B 87 SER HB2 1.0 1.840 8.426 3124 2317 B 87 SER HB3 B 89 GLN HE21 1.0 1.840 8.426 3125 2317 A 30 PRO HDy B 89 GLN HE21 1.0 1.840 8.426 3126 2318 B 89 GLN HE22 B 40 SER HA 1.0 2.000 5.950 3127 2318 B 89 GLN HE22 B 93 HIS HA 1.0 2.000 5.950 3128 2318 B 88 ILE HA B 89 GLN HE22 1.0 2.000 5.950 3129 2319 B 87 SER HA B 89 GLN HE22 1.0 1.758 9.028 3130 2319 B 89 GLN HE22 B 95 GLU HA 1.0 1.758 9.028 3131 2319 B 89 GLN HE22 B 41 HIS HA 1.0 1.758 9.028 3132 2319 A 9 ALA HA B 89 GLN HE22 1.0 1.758 9.028 3133 2320 B 89 GLN HE21 B 88 ILE HA 1.0 1.862 8.238 3134 2320 B 89 GLN HE21 B 40 SER HA 1.0 1.862 8.238 3135 2320 B 89 GLN HE21 B 93 HIS HA 1.0 1.862 8.238 3136 2321 A 9 ALA HA B 89 GLN HE21 1.0 1.638 9.762 3137 2321 B 89 GLN HE21 B 95 GLU HA 1.0 1.638 9.762 3138 2321 B 89 GLN HE21 B 41 HIS HA 1.0 1.638 9.762 3139 2322 B 68 ASN HD21 A 28 SER HB3 1.0 1.811 8.651 3140 2322 B 68 ASN HD21 A 28 SER HB2 1.0 1.811 8.651 3141 2323 B 68 ASN HD22 A 28 SER HB3 1.0 1.587 10.045 3142 2323 B 68 ASN HD22 A 28 SER HB2 1.0 1.587 10.045 3143 2324 A 29 ARG HBx B 68 ASN HD21 1.0 1.972 5.080 3144 2324 B 68 ASN HD21 A 29 ARG HG3 1.0 1.972 5.080 3145 2325 A 29 ARG HBx B 68 ASN HD22 1.0 1.983 6.761 3146 2325 B 68 ASN HD22 A 29 ARG HG3 1.0 1.983 6.761 3147 2326 B 90 GLN HGy B 90 GLN HE21 1.0 1.845 3.931 3148 2326 B 90 GLN HBx B 90 GLN HE21 1.0 1.845 3.931 3149 2327 B 90 GLN HE22 B 90 GLN HGy 1.0 1.980 5.228 3150 2327 B 90 GLN HBx B 90 GLN HE22 1.0 1.980 5.228 3151 2328 B 84 GLN HE21 B 84 GLN HG2 1.0 1.998 5.760 3152 2328 B 84 GLN HE21 B 84 GLN HG3 1.0 1.998 5.760 3153 2329 B 84 GLN HE22 B 84 GLN HB3 1.0 1.997 6.313 3154 2329 B 84 GLN HE22 B 84 GLN HB2 1.0 1.997 6.313 3155 2330 B 84 GLN HE21 B 84 GLN HB3 1.0 1.962 7.144 3156 2330 B 84 GLN HE21 B 84 GLN HB2 1.0 1.962 7.144 3157 2331 A 27 TRP HE3 B 69 SER H 1.0 1.986 6.690 3158 2331 A 27 TRP HD1 B 69 SER H 1.0 1.986 6.690 3159 2332 B 58 TRP HZ3 B 50 ARG HE 1.0 1.989 5.423 3160 2332 B 50 ARG HE B 58 TRP HH2 1.0 1.989 5.423 3161 2333 B 45 TYR HDx B 87 SER HB2 1.0 1.986 5.332 3162 2333 B 45 TYR HDy B 87 SER HB2 1.0 1.986 5.332 3163 2333 B 45 TYR HDy B 65 GLY HAx 1.0 1.986 5.332 3164 2333 B 45 TYR HDx B 65 GLY HAx 1.0 1.986 5.332 3165 2334 B 85 LEU HBx B 45 TYR HDx 1.0 1.977 6.893 3166 2334 B 85 LEU HBx B 45 TYR HDy 1.0 1.977 6.893 3167 2334 B 45 TYR HDy B 67 LEU HG 1.0 1.977 6.893 3168 2334 B 45 TYR HDx B 67 LEU HG 1.0 1.977 6.893 3169 2335 A 27 TRP HZ3 B 70 TYR HDx 1.0 1.920 7.672 3170 2335 A 27 TRP HZ3 B 70 TYR HDy 1.0 1.920 7.672 3171 2335 B 70 TYR HDx A 27 TRP HH2 1.0 1.920 7.672 3172 2335 B 70 TYR HDy A 27 TRP HH2 1.0 1.920 7.672 3173 2336 B 70 TYR HDx B 63 ILE HG1x 1.0 1.995 5.579 3174 2336 B 70 TYR HDy B 63 ILE HG1x 1.0 1.995 5.579 3175 2336 B 70 TYR HDx B 63 ILE HG1y 1.0 1.995 5.579 3176 2336 B 70 TYR HDy B 63 ILE HG1y 1.0 1.995 5.579 3177 2337 B 70 TYR HDy B 47 LEU HD1% 1.0 2.000 6.022 3178 2337 B 70 TYR HDx B 47 LEU HBx 1.0 2.000 6.022 3179 2337 B 70 TYR HDy B 47 LEU HD2% 1.0 2.000 6.022 3180 2337 B 70 TYR HDy B 47 LEU HBx 1.0 2.000 6.022 3181 2337 B 70 TYR HDx B 47 LEU HD1% 1.0 2.000 6.022 3182 2337 B 70 TYR HDx B 47 LEU HD2% 1.0 2.000 6.022 3183 2338 B 81 TYR HDx B 81 TYR HBy 1.0 1.972 5.094 3184 2338 B 81 TYR HDy B 81 TYR HBy 1.0 1.972 5.094 3185 2338 A 15 VAL HGy% B 99 PHE HDy 1.0 1.972 5.094 3186 2338 A 15 VAL HGy% B 99 PHE HDx 1.0 1.972 5.094 3187 2339 A 15 VAL HGy% B 99 PHE HEx 1.0 1.935 4.617 3188 2339 A 25 VAL HGy% B 99 PHE HEx 1.0 1.935 4.617 3189 2339 A 25 VAL HGy% B 99 PHE HEy 1.0 1.935 4.617 3190 2339 A 15 VAL HGy% B 99 PHE HEy 1.0 1.935 4.617 3191 2340 B 57 ARG HA B 58 TRP HD1 1.0 1.996 5.638 3192 2340 B 58 TRP HD1 B 58 TRP HA 1.0 1.996 5.638 3193 2341 B 82 GLU HBy B 58 TRP HZ2 1.0 1.814 8.622 3194 2341 B 82 GLU HGy B 58 TRP HZ2 1.0 1.814 8.622 3195 2342 B 49 TRP HZ2 B 70 TYR HEy 1.0 1.986 6.706 3196 2342 B 49 TRP HZ2 B 70 TYR HEx 1.0 1.986 6.706 3197 2342 B 49 TRP HZ3 B 49 TRP HZ2 1.0 1.986 6.706 3198 2342 B 49 TRP HD1 B 49 TRP HZ2 1.0 1.986 6.706 3199 2343 A 29 ARG HBy B 45 TYR HEx 1.0 1.989 5.403 3200 2343 B 45 TYR HEy A 10 PRO HG3 1.0 1.989 5.403 3201 2343 A 29 ARG HBy B 45 TYR HEy 1.0 1.989 5.403 3202 2343 B 45 TYR HEx A 10 PRO HG3 1.0 1.989 5.403 3203 2343 B 45 TYR HEx A 10 PRO HG2 1.0 1.989 5.403 3204 2343 B 45 TYR HEy A 10 PRO HG2 1.0 1.989 5.403 3205 2344 B 58 TRP HE3 B 84 GLN H 1.0 1.835 8.465 3206 2344 B 48 ARG H B 58 TRP HE3 1.0 1.835 8.465 3207 2345 B 72 ILE HG1y B 70 TYR HEy 1.0 1.935 4.629 3208 2345 B 61 ALA HB% B 70 TYR HEy 1.0 1.935 4.629 3209 2345 B 72 ILE HG1y B 70 TYR HEx 1.0 1.935 4.629 3210 2345 B 61 ALA HB% B 70 TYR HEx 1.0 1.935 4.629 3211 2346 B 47 LEU HBx B 70 TYR HEy 1.0 2.000 5.986 3212 2346 B 47 LEU HBx B 70 TYR HEx 1.0 2.000 5.986 3213 2346 B 72 ILE HB B 70 TYR HEx 1.0 2.000 5.986 3214 2346 B 72 ILE HB B 70 TYR HEy 1.0 2.000 5.986 3215 2347 A 25 VAL HGy% A 25 VAL H 1.0 1.828 3.824 3216 2347 A 15 VAL HGx% A 25 VAL H 1.0 1.828 3.824 3217 2348 B 71 THR HA A 25 VAL H 1.0 1.768 3.508 3218 2348 A 25 VAL HA A 25 VAL H 1.0 1.768 3.508 3219 2349 A 24 VAL HGx% A 16 ASP H 1.0 1.970 5.040 3220 2349 A 23 ILE HG2% A 16 ASP H 1.0 1.970 5.040 3221 2350 A 26 ARG H A 26 ARG HD2 1.0 1.976 6.914 3222 2350 A 26 ARG H A 26 ARG HD3 1.0 1.976 6.914 3223 2351 A 26 ARG H A 25 VAL HGx% 1.0 1.923 4.505 3224 2351 A 26 ARG H A 24 VAL HGx% 1.0 1.923 4.505 3225 2352 A 12 ASP HB3 A 12 ASP H 1.0 1.841 3.903 3226 2352 A 12 ASP H A 12 ASP HB2 1.0 1.841 3.903 3227 2353 A 26 ARG HG2 A 27 TRP H 1.0 1.999 5.859 3228 2353 A 26 ARG HG3 A 27 TRP H 1.0 1.999 5.859 3229 2354 B 69 SER HBy A 27 TRP H 1.0 1.980 6.818 3230 2354 B 69 SER HBx A 27 TRP H 1.0 1.980 6.818 3231 2355 A 27 TRP HZ3 A 27 TRP H 1.0 2.000 5.978 3232 2355 A 27 TRP HH2 A 27 TRP H 1.0 2.000 5.978 3233 2356 A 14 THR H A 15 VAL HGy% 1.0 1.972 5.092 3234 2356 A 25 VAL HGy% A 14 THR H 1.0 1.972 5.092 3235 2357 A 14 THR H A 26 ARG HBy 1.0 1.999 5.899 3236 2357 A 14 THR H A 26 ARG HBx 1.0 1.999 5.899 3237 2358 A 22 SER H A 20 ASP HB2 1.0 1.879 8.087 3238 2358 A 22 SER H A 20 ASP HB3 1.0 1.879 8.087 3239 2359 A 28 SER H A 28 SER HB2 1.0 1.904 4.344 3240 2359 A 28 SER H A 28 SER HB3 1.0 1.904 4.344 3241 2360 A 20 ASP H A 20 ASP HB3 1.0 1.705 3.223 3242 2360 A 20 ASP H A 20 ASP HB2 1.0 1.705 3.223 3243 2361 A 17 GLN HBy A 17 GLN HE21 1.0 1.909 4.385 3244 2361 A 17 GLN HBx A 17 GLN HE21 1.0 1.909 4.385 3245 2362 A 17 GLN HE21 A 17 GLN HG2 1.0 1.912 4.416 3246 2362 A 17 GLN HE21 A 17 GLN HG3 1.0 1.912 4.416 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 B 41 HIS C B 42 ILE N B 42 ILE CA B 42 ILE C 1.0 -111.2 -67.0 PHI 2 2 B 42 ILE N B 42 ILE CA B 42 ILE C B 43 SER N 1.0 97.5 137.5 PSI 3 3 B 42 ILE C B 43 SER N B 43 SER CA B 43 SER C 1.0 -101.6 -61.6 PHI 4 4 B 43 SER N B 43 SER CA B 43 SER C B 44 LYS N 1.0 -57.0 -16.2 PSI 5 5 B 43 SER C B 44 LYS N B 44 LYS CA B 44 LYS C 1.0 -179.2 -139.2 PHI 6 6 B 44 LYS N B 44 LYS CA B 44 LYS C B 45 TYR N 1.0 138.9 178.9 PSI 7 7 B 44 LYS C B 45 TYR N B 45 TYR CA B 45 TYR C 1.0 -142.1 -101.5 PHI 8 8 B 45 TYR N B 45 TYR CA B 45 TYR C B 46 ILE N 1.0 123.7 163.7 PSI 9 9 B 45 TYR C B 46 ILE N B 46 ILE CA B 46 ILE C 1.0 -133.5 -93.5 PHI 10 10 B 46 ILE N B 46 ILE CA B 46 ILE C B 47 LEU N 1.0 108.0 148.0 PSI 11 11 B 46 ILE C B 47 LEU N B 47 LEU CA B 47 LEU C 1.0 -137.1 -97.1 PHI 12 12 B 47 LEU N B 47 LEU CA B 47 LEU C B 48 ARG N 1.0 112.2 152.2 PSI 13 13 B 47 LEU C B 48 ARG N B 48 ARG CA B 48 ARG C 1.0 -144.0 -104.0 PHI 14 14 B 48 ARG N B 48 ARG CA B 48 ARG C B 49 TRP N 1.0 119.2 159.2 PSI 15 15 B 48 ARG C B 49 TRP N B 49 TRP CA B 49 TRP C 1.0 -165.1 -95.9 PHI 16 16 B 49 TRP N B 49 TRP CA B 49 TRP C B 50 ARG N 1.0 128.5 173.3 PSI 17 17 B 49 TRP C B 50 ARG N B 50 ARG CA B 50 ARG C 1.0 -175.6 -100.6 PHI 18 18 B 50 ARG N B 50 ARG CA B 50 ARG C B 51 PRO N 1.0 80.3 202.5 PSI 19 19 B 50 ARG C B 51 PRO N B 51 PRO CA B 51 PRO C 1.0 -79.4 -39.4 PHI 20 20 B 51 PRO N B 51 PRO CA B 51 PRO C B 52 LYS N 1.0 116.5 156.5 PSI 21 21 B 51 PRO C B 52 LYS N B 52 LYS CA B 52 LYS C 1.0 -78.6 -38.6 PHI 22 22 B 52 LYS N B 52 LYS CA B 52 LYS C B 53 ASN N 1.0 -48.7 -8.7 PSI 23 23 B 52 LYS C B 53 ASN N B 53 ASN CA B 53 ASN C 1.0 -91.5 -51.5 PHI 24 24 B 53 ASN N B 53 ASN CA B 53 ASN C B 54 SER N 1.0 -34.9 5.1 PSI 25 25 B 57 ARG C B 58 TRP N B 58 TRP CA B 58 TRP C 1.0 -91.4 -49.6 PHI 26 26 B 58 TRP N B 58 TRP CA B 58 TRP C B 59 LYS N 1.0 116.0 160.6 PSI 27 27 B 59 LYS C B 60 GLU N B 60 GLU CA B 60 GLU C 1.0 -160.0 -114.6 PHI 28 28 B 60 GLU N B 60 GLU CA B 60 GLU C B 61 ALA N 1.0 124.7 164.7 PSI 29 29 B 60 GLU C B 61 ALA N B 61 ALA CA B 61 ALA C 1.0 -160.0 -116.0 PHI 30 30 B 61 ALA N B 61 ALA CA B 61 ALA C B 62 THR N 1.0 113.9 162.3 PSI 31 31 B 61 ALA C B 62 THR N B 62 THR CA B 62 THR C 1.0 -127.2 -80.0 PHI 32 32 B 62 THR N B 62 THR CA B 62 THR C B 63 ILE N 1.0 107.2 147.2 PSI 33 33 B 62 THR C B 63 ILE N B 63 ILE CA B 63 ILE C 1.0 -150.4 -110.4 PHI 34 34 B 63 ILE N B 63 ILE CA B 63 ILE C B 64 PRO N 1.0 115.9 166.3 PSI 35 35 B 63 ILE C B 64 PRO N B 64 PRO CA B 64 PRO C 1.0 -90.8 -30.8 PHI 36 36 B 64 PRO N B 64 PRO CA B 64 PRO C B 65 GLY N 1.0 116.4 176.4 PSI 37 37 B 68 ASN C B 69 SER N B 69 SER CA B 69 SER C 1.0 -175.6 -112.0 PHI 38 38 B 69 SER N B 69 SER CA B 69 SER C B 70 TYR N 1.0 133.5 173.5 PSI 39 39 B 69 SER C B 70 TYR N B 70 TYR CA B 70 TYR C 1.0 -173.8 -112.6 PHI 40 40 B 70 TYR N B 70 TYR CA B 70 TYR C B 71 THR N 1.0 115.7 155.7 PSI 41 41 B 70 TYR C B 71 THR N B 71 THR CA B 71 THR C 1.0 -119.7 -79.7 PHI 42 42 B 71 THR N B 71 THR CA B 71 THR C B 72 ILE N 1.0 99.6 142.4 PSI 43 43 B 71 THR C B 72 ILE N B 72 ILE CA B 72 ILE C 1.0 -109.3 -57.9 PHI 44 44 B 72 ILE N B 72 ILE CA B 72 ILE C B 73 LYS N 1.0 107.2 147.2 PSI 45 45 B 72 ILE C B 73 LYS N B 73 LYS CA B 73 LYS C 1.0 -153.4 -87.4 PHI 46 46 B 73 LYS N B 73 LYS CA B 73 LYS C B 74 GLY N 1.0 121.8 189.0 PSI 47 47 B 74 GLY C B 75 LEU N B 75 LEU CA B 75 LEU C 1.0 -103.1 -56.7 PHI 48 48 B 75 LEU N B 75 LEU CA B 75 LEU C B 76 LYS N 1.0 123.0 173.4 PSI 49 49 B 75 LEU C B 76 LYS N B 76 LYS CA B 76 LYS C 1.0 -139.4 -44.2 PHI 50 50 B 76 LYS N B 76 LYS CA B 76 LYS C B 77 PRO N 1.0 123.2 170.0 PSI 51 51 B 76 LYS C B 77 PRO N B 77 PRO CA B 77 PRO C 1.0 -77.1 -37.1 PHI 52 52 B 77 PRO N B 77 PRO CA B 77 PRO C B 78 GLY N 1.0 119.5 159.5 PSI 53 53 B 77 PRO C B 78 GLY N B 78 GLY CA B 78 GLY C 1.0 46.2 135.4 PHI 54 54 B 78 GLY N B 78 GLY CA B 78 GLY C B 79 VAL N 1.0 -55.5 48.1 PSI 55 55 B 78 GLY C B 79 VAL N B 79 VAL CA B 79 VAL C 1.0 -137.0 -47.2 PHI 56 56 B 79 VAL N B 79 VAL CA B 79 VAL C B 80 VAL N 1.0 117.9 157.9 PSI 57 57 B 79 VAL C B 80 VAL N B 80 VAL CA B 80 VAL C 1.0 -110.2 -58.0 PHI 58 58 B 80 VAL N B 80 VAL CA B 80 VAL C B 81 TYR N 1.0 105.9 145.9 PSI 59 59 B 80 VAL C B 81 TYR N B 81 TYR CA B 81 TYR C 1.0 -129.8 -83.8 PHI 60 60 B 81 TYR N B 81 TYR CA B 81 TYR C B 82 GLU N 1.0 113.9 162.3 PSI 61 61 B 81 TYR C B 82 GLU N B 82 GLU CA B 82 GLU C 1.0 -153.0 -104.6 PHI 62 62 B 82 GLU N B 82 GLU CA B 82 GLU C B 83 GLY N 1.0 108.3 169.9 PSI 63 63 B 83 GLY C B 84 GLN N B 84 GLN CA B 84 GLN C 1.0 -150.0 -99.4 PHI 64 64 B 84 GLN N B 84 GLN CA B 84 GLN C B 85 LEU N 1.0 114.2 156.6 PSI 65 65 B 84 GLN C B 85 LEU N B 85 LEU CA B 85 LEU C 1.0 -129.6 -89.6 PHI 66 66 B 85 LEU N B 85 LEU CA B 85 LEU C B 86 ILE N 1.0 101.0 141.0 PSI 67 67 B 85 LEU C B 86 ILE N B 86 ILE CA B 86 ILE C 1.0 -127.5 -87.5 PHI 68 68 B 86 ILE N B 86 ILE CA B 86 ILE C B 87 SER N 1.0 106.7 146.7 PSI 69 69 B 86 ILE C B 87 SER N B 87 SER CA B 87 SER C 1.0 -134.8 -80.0 PHI 70 70 B 87 SER N B 87 SER CA B 87 SER C B 88 ILE N 1.0 100.8 148.0 PSI 71 71 B 87 SER C B 88 ILE N B 88 ILE CA B 88 ILE C 1.0 -113.7 -72.1 PHI 72 72 B 88 ILE N B 88 ILE CA B 88 ILE C B 89 GLN N 1.0 95.7 140.5 PSI 73 73 B 88 ILE C B 89 GLN N B 89 GLN CA B 89 GLN C 1.0 -100.5 -60.5 PHI 74 74 B 89 GLN N B 89 GLN CA B 89 GLN C B 90 GLN N 1.0 142.0 182.0 PSI 75 75 B 89 GLN C B 90 GLN N B 90 GLN CA B 90 GLN C 1.0 -83.1 -43.1 PHI 76 76 B 90 GLN N B 90 GLN CA B 90 GLN C B 91 TYR N 1.0 -44.8 -4.8 PSI 77 77 B 90 GLN C B 91 TYR N B 91 TYR CA B 91 TYR C 1.0 -108.8 -68.0 PHI 78 78 B 91 TYR N B 91 TYR CA B 91 TYR C B 92 GLY N 1.0 -22.6 17.4 PSI 79 79 B 91 TYR C B 92 GLY N B 92 GLY CA B 92 GLY C 1.0 69.9 109.9 PHI 80 80 B 92 GLY N B 92 GLY CA B 92 GLY C B 93 HIS N 1.0 -21.3 18.7 PSI 81 81 B 92 GLY C B 93 HIS N B 93 HIS CA B 93 HIS C 1.0 -89.6 -49.6 PHI 82 82 B 93 HIS N B 93 HIS CA B 93 HIS C B 94 GLN N 1.0 120.7 162.5 PSI 83 83 B 93 HIS C B 94 GLN N B 94 GLN CA B 94 GLN C 1.0 -144.6 -83.0 PHI 84 84 B 94 GLN N B 94 GLN CA B 94 GLN C B 95 GLU N 1.0 122.3 162.3 PSI 85 85 B 94 GLN C B 95 GLU N B 95 GLU CA B 95 GLU C 1.0 -170.7 -99.1 PHI 86 86 B 95 GLU N B 95 GLU CA B 95 GLU C B 96 VAL N 1.0 114.8 172.4 PSI 87 87 B 95 GLU C B 96 VAL N B 96 VAL CA B 96 VAL C 1.0 -139.1 -90.7 PHI 88 88 B 96 VAL N B 96 VAL CA B 96 VAL C B 97 THR N 1.0 108.1 148.1 PSI 89 89 B 96 VAL C B 97 THR N B 97 THR CA B 97 THR C 1.0 -146.9 -93.1 PHI 90 90 B 97 THR N B 97 THR CA B 97 THR C B 98 ARG N 1.0 109.4 149.4 PSI 91 91 B 97 THR C B 98 ARG N B 98 ARG CA B 98 ARG C 1.0 -132.8 -79.4 PHI 92 92 B 98 ARG N B 98 ARG CA B 98 ARG C B 99 PHE N 1.0 116.0 156.0 PSI 93 93 B 98 ARG C B 99 PHE N B 99 PHE CA B 99 PHE C 1.0 -176.1 -128.9 PHI 94 94 B 99 PHE N B 99 PHE CA B 99 PHE C B 100 ASP N 1.0 141.3 181.3 PSI 95 95 B 99 PHE C B 100 ASP N B 100 ASP CA B 100 ASP C 1.0 -146.8 -81.4 PHI 96 96 B 100 ASP N B 100 ASP CA B 100 ASP C B 101 PHE N 1.0 129.6 169.6 PSI 97 97 B 100 ASP C B 101 PHE N B 101 PHE CA B 101 PHE C 1.0 -169.4 -129.4 PHI 98 98 B 101 PHE N B 101 PHE CA B 101 PHE C B 102 THR N 1.0 136.8 176.8 PSI stop_ save_