data_nef_c17973_2lt5 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 78 CYS SG 1 15 CYS SG 1 32 CYS SG 1 18 CYS SG 1 96 CYS SG 1 67 CYS SG 1 116 CYS SG stop_ 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 ARG start . . 2 A 2 PRO middle . false 3 A 3 CYS middle -HG . 4 A 4 LYS middle . . 5 A 5 TYR middle . . 6 A 6 LYS middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 SER middle . . 11 A 11 THR middle . . 12 A 12 ASN middle . . 13 A 13 LYS middle . . 14 A 14 PHE middle . . 15 A 15 CYS middle -HG . 16 A 16 VAL middle . . 17 A 17 THR middle . . 18 A 18 CYS middle -HG . 19 A 19 GLU middle . . 20 A 20 ASN middle . . 21 A 21 GLN middle . . 22 A 22 ALA middle . . 23 A 23 PRO middle . false 24 A 24 VAL middle . . 25 A 25 HIS middle . . 26 A 26 PHE middle . . 27 A 27 VAL middle . . 28 A 28 GLY middle . false 29 A 29 VAL middle . . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 CYS middle -HG . 33 A 33 GLY middle . false 34 A 34 SER middle . . 35 A 35 GLY middle . false 36 A 36 GLY middle . false 37 A 37 SER middle . . 38 A 38 GLY middle . false 39 A 39 ILE middle . . 40 A 40 PHE middle . . 41 A 41 LEU middle . . 42 A 42 GLU middle . . 43 A 43 THR middle . . 44 A 44 SER middle . . 45 A 45 LEU middle . . 46 A 46 SER middle . . 47 A 47 ALA middle . . 48 A 48 GLY middle . false 49 A 49 SER middle . . 50 A 50 ASP middle . . 51 A 51 TRP middle . . 52 A 52 LEU middle . . 53 A 53 THR middle . . 54 A 54 PHE middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 HIS middle . . 59 A 59 ILE middle . . 60 A 60 THR middle . . 61 A 61 ASN middle . . 62 A 62 THR middle . . 63 A 63 ARG middle . . 64 A 64 ASP middle . . 65 A 65 VAL middle . . 66 A 66 ASP middle . . 67 A 67 CYS middle -HG . 68 A 68 ASP middle . . 69 A 69 ASN middle . . 70 A 70 ILE middle . . 71 A 71 MET middle . . 72 A 72 SER middle . . 73 A 73 THR middle . . 74 A 74 ASN middle . . 75 A 75 LEU middle . . 76 A 76 PHE middle . . 77 A 77 HIS middle . . 78 A 78 CYS middle -HG . 79 A 79 LYS middle . . 80 A 80 ASP middle . . 81 A 81 LYS middle . . 82 A 82 ASN middle . . 83 A 83 THR middle . . 84 A 84 PHE middle . . 85 A 85 ILE middle . . 86 A 86 TYR middle . . 87 A 87 SER middle . . 88 A 88 ARG middle . . 89 A 89 PRO middle . false 90 A 90 GLU middle . . 91 A 91 PRO middle . false 92 A 92 VAL middle . . 93 A 93 LYS middle . . 94 A 94 ALA middle . . 95 A 95 ILE middle . . 96 A 96 CYS middle -HG . 97 A 97 LYS middle . . 98 A 98 GLY middle . false 99 A 99 ILE middle . . 100 A 100 ILE middle . . 101 A 101 ALA middle . . 102 A 102 SER middle . . 103 A 103 LYS middle . . 104 A 104 ASN middle . . 105 A 105 VAL middle . . 106 A 106 LEU middle . . 107 A 107 THR middle . . 108 A 108 THR middle . . 109 A 109 SER middle . . 110 A 110 GLU middle . . 111 A 111 PHE middle . . 112 A 112 TYR middle . . 113 A 113 LEU middle . . 114 A 114 SER middle . . 115 A 115 ASP middle . . 116 A 116 CYS middle -HG . 117 A 117 ASN middle . . 118 A 118 VAL middle . . 119 A 119 THR middle . . 120 A 120 SER end . . stop_ save_ save_zimogen-FLG_chemical_shift _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode zimogen-FLG_chemical_shift 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 2 PRO HA H 1 4.39 0.01 A 2 PRO HBx H 1 1.88 0.00 A 2 PRO HBy H 1 2.27 0.00 A 2 PRO HDx H 1 3.67 0.00 A 2 PRO HDy H 1 3.83 0.01 A 2 PRO HGx H 1 2.00 0.01 A 2 PRO HGy H 1 2.06 0.01 A 2 PRO C C 13 176.27 0.00 A 2 PRO CA C 13 63.31 0.04 A 2 PRO CB C 13 31.94 0.09 A 2 PRO CD C 13 50.64 0.03 A 2 PRO CG C 13 27.44 0.05 A 3 CYS H H 1 8.46 0.01 A 3 CYS HA H 1 4.46 0.00 A 3 CYS HBx H 1 2.88 0.01 A 3 CYS HBy H 1 3.72 0.01 A 3 CYS C C 13 172.71 0.00 A 3 CYS CA C 13 57.36 0.04 A 3 CYS CB C 13 46.46 0.07 A 3 CYS N N 15 120.85 0.03 A 4 LYS H H 1 7.34 0.00 A 4 LYS HA H 1 4.78 0.01 A 4 LYS HBx H 1 1.51 0.01 A 4 LYS HBy H 1 1.75 0.01 A 4 LYS HD2 H 1 1.65 0.02 A 4 LYS HD3 H 1 1.65 0.02 A 4 LYS HEx H 1 2.91 0.00 A 4 LYS HEy H 1 2.96 0.01 A 4 LYS HGx H 1 1.27 0.00 A 4 LYS HGy H 1 1.35 0.00 A 4 LYS C C 13 175.82 0.00 A 4 LYS CA C 13 54.12 0.03 A 4 LYS CB C 13 34.55 0.07 A 4 LYS CD C 13 28.49 0.02 A 4 LYS CE C 13 42.27 0.04 A 4 LYS CG C 13 24.39 0.04 A 4 LYS N N 15 119.32 0.02 A 5 TYR H H 1 9.32 0.00 A 5 TYR HA H 1 4.83 0.02 A 5 TYR HBx H 1 2.55 0.01 A 5 TYR HBy H 1 2.66 0.01 A 5 TYR HDx H 1 6.71 0.01 A 5 TYR HDy H 1 6.71 0.01 A 5 TYR C C 13 176.52 0.00 A 5 TYR CA C 13 59.04 0.03 A 5 TYR CB C 13 43.84 0.03 A 5 TYR N N 15 119.65 0.02 A 6 LYS H H 1 9.01 0.00 A 6 LYS HA H 1 4.75 0.06 A 6 LYS HB2 H 1 1.82 0.01 A 6 LYS HB3 H 1 1.82 0.01 A 6 LYS HD2 H 1 1.75 0.03 A 6 LYS HD3 H 1 1.75 0.03 A 6 LYS HE2 H 1 3.02 0.01 A 6 LYS HE3 H 1 3.02 0.01 A 6 LYS HG2 H 1 1.46 0.01 A 6 LYS HG3 H 1 1.46 0.01 A 6 LYS C C 13 174.84 0.00 A 6 LYS CA C 13 54.90 0.04 A 6 LYS CB C 13 35.34 0.04 A 6 LYS CD C 13 29.14 0.01 A 6 LYS CE C 13 42.21 0.02 A 6 LYS CG C 13 24.94 0.04 A 6 LYS N N 15 120.03 0.04 A 7 LEU H H 1 8.41 0.00 A 7 LEU HA H 1 5.38 0.02 A 7 LEU HBx H 1 1.66 0.02 A 7 LEU HBy H 1 1.83 0.02 A 7 LEU HDx% H 1 1.00 0.01 A 7 LEU HDy% H 1 1.09 0.01 A 7 LEU HG H 1 1.42 0.01 A 7 LEU C C 13 176.78 0.00 A 7 LEU CA C 13 54.02 0.05 A 7 LEU CB C 13 43.83 0.05 A 7 LEU CDx C 13 23.99 0.07 A 7 LEU CDy C 13 26.95 0.05 A 7 LEU CG C 13 28.09 0.04 A 7 LEU N N 15 126.61 0.02 A 8 LYS H H 1 9.34 0.00 A 8 LYS HA H 1 4.86 0.02 A 8 LYS HBx H 1 1.81 0.01 A 8 LYS HBy H 1 1.91 0.01 A 8 LYS HD2 H 1 1.48 0.01 A 8 LYS HD3 H 1 1.48 0.01 A 8 LYS HE2 H 1 3.02 0.01 A 8 LYS HE3 H 1 3.02 0.01 A 8 LYS HG2 H 1 1.35 0.00 A 8 LYS HG3 H 1 1.35 0.00 A 8 LYS C C 13 175.95 0.00 A 8 LYS CA C 13 55.18 0.02 A 8 LYS CB C 13 35.49 0.01 A 8 LYS CD C 13 25.01 0.07 A 8 LYS CE C 13 42.14 0.01 A 8 LYS CG C 13 24.59 0.05 A 8 LYS N N 15 128.51 0.03 A 9 LYS H H 1 9.19 0.01 A 9 LYS HA H 1 5.28 0.02 A 9 LYS HB2 H 1 1.84 0.02 A 9 LYS HB3 H 1 1.84 0.02 A 9 LYS HDx H 1 1.45 0.01 A 9 LYS HDy H 1 1.59 0.01 A 9 LYS HEx H 1 2.63 0.01 A 9 LYS HEy H 1 2.86 0.01 A 9 LYS HG2 H 1 1.33 0.01 A 9 LYS HG3 H 1 1.33 0.01 A 9 LYS C C 13 175.70 0.00 A 9 LYS CA C 13 56.22 0.06 A 9 LYS CB C 13 34.27 0.07 A 9 LYS CD C 13 29.74 0.02 A 9 LYS CE C 13 42.28 0.03 A 9 LYS CG C 13 26.02 0.02 A 9 LYS N N 15 129.76 0.03 A 10 SER H H 1 8.89 0.00 A 10 SER HA H 1 4.85 0.01 A 10 SER HB2 H 1 3.93 0.01 A 10 SER HB3 H 1 3.93 0.01 A 10 SER C C 13 172.50 0.00 A 10 SER CA C 13 58.68 0.07 A 10 SER CB C 13 66.30 0.06 A 10 SER N N 15 117.07 0.02 A 11 THR H H 1 8.42 0.00 A 11 THR HA H 1 5.49 0.01 A 11 THR HB H 1 4.00 0.01 A 11 THR HG2% H 1 0.99 0.02 A 11 THR C C 13 174.23 0.00 A 11 THR CA C 13 60.22 0.05 A 11 THR CB C 13 70.39 0.06 A 11 THR CG2 C 13 22.38 0.05 A 11 THR N N 15 115.17 0.05 A 12 ASN H H 1 9.10 0.02 A 12 ASN HA H 1 4.96 0.01 A 12 ASN HBx H 1 2.68 0.01 A 12 ASN HBy H 1 3.09 0.00 A 12 ASN HD2x H 1 7.24 0.00 A 12 ASN HD2y H 1 7.79 0.00 A 12 ASN C C 13 176.01 0.00 A 12 ASN CA C 13 52.33 0.07 A 12 ASN CB C 13 43.15 0.05 A 12 ASN N N 15 121.30 0.01 A 12 ASN ND2 N 15 111.72 0.02 A 13 LYS H H 1 9.19 0.00 A 13 LYS HA H 1 4.54 0.01 A 13 LYS HBx H 1 1.45 0.01 A 13 LYS HBy H 1 1.93 0.01 A 13 LYS HD2 H 1 1.61 0.01 A 13 LYS HD3 H 1 1.61 0.01 A 13 LYS HEx H 1 2.82 0.00 A 13 LYS HEy H 1 2.87 0.00 A 13 LYS HG2 H 1 1.02 0.01 A 13 LYS HG3 H 1 1.02 0.01 A 13 LYS C C 13 176.82 0.00 A 13 LYS CA C 13 56.41 0.03 A 13 LYS CB C 13 35.31 0.06 A 13 LYS CD C 13 29.47 0.03 A 13 LYS CE C 13 42.32 0.09 A 13 LYS CG C 13 26.09 0.01 A 13 LYS N N 15 120.75 0.03 A 14 PHE H H 1 8.04 0.02 A 14 PHE HA H 1 4.97 0.01 A 14 PHE HBx H 1 3.00 0.02 A 14 PHE HBy H 1 3.15 0.02 A 14 PHE HDx H 1 6.85 0.02 A 14 PHE HDy H 1 6.85 0.02 A 14 PHE HEx H 1 6.62 0.02 A 14 PHE HEy H 1 6.62 0.02 A 14 PHE HZ H 1 6.45 0.01 A 14 PHE C C 13 170.62 0.00 A 14 PHE CA C 13 56.57 0.08 A 14 PHE CB C 13 41.43 0.09 A 14 PHE CDx C 13 132.41 0.04 A 14 PHE CEx C 13 130.89 0.09 A 14 PHE CZ C 13 129.89 0.03 A 14 PHE N N 15 114.03 0.03 A 15 CYS H H 1 9.01 0.01 A 15 CYS HA H 1 5.77 0.01 A 15 CYS HBx H 1 2.12 0.01 A 15 CYS HBy H 1 3.25 0.00 A 15 CYS C C 13 173.64 0.00 A 15 CYS CA C 13 54.08 0.03 A 15 CYS CB C 13 49.59 0.02 A 15 CYS N N 15 120.16 0.03 A 16 VAL H H 1 8.86 0.01 A 16 VAL HA H 1 5.06 0.02 A 16 VAL HB H 1 2.10 0.01 A 16 VAL HG1% H 1 0.74 0.01 A 16 VAL HG2% H 1 1.08 0.01 A 16 VAL C C 13 173.46 0.00 A 16 VAL CA C 13 58.27 0.06 A 16 VAL CB C 13 35.71 0.07 A 16 VAL CGx C 13 21.39 0.01 A 16 VAL CGy C 13 23.53 0.04 A 16 VAL N N 15 121.40 0.02 A 17 THR H H 1 8.65 0.01 A 17 THR HA H 1 5.00 0.02 A 17 THR HB H 1 3.83 0.01 A 17 THR HG2% H 1 1.08 0.00 A 17 THR C C 13 174.78 0.00 A 17 THR CA C 13 62.50 0.08 A 17 THR CB C 13 69.61 0.06 A 17 THR CG2 C 13 23.38 0.07 A 17 THR N N 15 118.38 0.04 A 18 CYS H H 1 9.24 0.00 A 18 CYS HA H 1 5.17 0.02 A 18 CYS HBx H 1 2.59 0.01 A 18 CYS HBy H 1 2.77 0.00 A 18 CYS C C 13 173.39 0.00 A 18 CYS CA C 13 52.69 0.04 A 18 CYS CB C 13 38.87 0.06 A 18 CYS N N 15 127.18 0.02 A 19 GLU H H 1 8.78 0.00 A 19 GLU HA H 1 4.18 0.00 A 19 GLU HBx H 1 1.89 0.01 A 19 GLU HBy H 1 1.96 0.01 A 19 GLU HGx H 1 2.18 0.01 A 19 GLU HGy H 1 2.29 0.01 A 19 GLU C C 13 176.07 0.00 A 19 GLU CA C 13 56.93 0.03 A 19 GLU CB C 13 33.27 0.04 A 19 GLU CG C 13 36.40 0.03 A 19 GLU N N 15 118.77 0.02 A 20 ASN H H 1 10.27 0.00 A 20 ASN HA H 1 4.35 0.02 A 20 ASN HBx H 1 2.75 0.01 A 20 ASN HBy H 1 3.10 0.01 A 20 ASN HD2x H 1 6.88 0.00 A 20 ASN HD2y H 1 7.67 0.00 A 20 ASN C C 13 174.37 0.00 A 20 ASN CA C 13 54.83 0.04 A 20 ASN CB C 13 37.22 0.04 A 20 ASN N N 15 126.57 0.02 A 20 ASN ND2 N 15 113.04 0.02 A 21 GLN H H 1 8.86 0.00 A 21 GLN HA H 1 4.05 0.02 A 21 GLN HBx H 1 1.68 0.01 A 21 GLN HBy H 1 2.05 0.00 A 21 GLN HE2x H 1 6.98 0.00 A 21 GLN HE2y H 1 7.74 0.00 A 21 GLN HGx H 1 2.06 0.01 A 21 GLN HGy H 1 2.24 0.02 A 21 GLN C C 13 174.08 0.00 A 21 GLN CA C 13 57.20 0.02 A 21 GLN CB C 13 27.38 0.05 A 21 GLN CG C 13 36.03 0.01 A 21 GLN N N 15 105.19 0.01 A 21 GLN NE2 N 15 113.81 0.02 A 22 ALA H H 1 7.63 0.00 A 22 ALA HA H 1 4.42 0.01 A 22 ALA HB% H 1 0.93 0.01 A 22 ALA CA C 13 49.59 0.02 A 22 ALA CB C 13 20.99 0.06 A 22 ALA N N 15 119.15 0.02 A 23 PRO HA H 1 4.58 0.01 A 23 PRO HBx H 1 0.64 0.01 A 23 PRO HBy H 1 1.23 0.01 A 23 PRO HDx H 1 2.98 0.01 A 23 PRO HDy H 1 3.21 0.01 A 23 PRO HGx H 1 1.63 0.00 A 23 PRO HGy H 1 1.67 0.00 A 23 PRO C C 13 175.99 0.00 A 23 PRO CA C 13 62.53 0.07 A 23 PRO CB C 13 30.38 0.06 A 23 PRO CD C 13 50.76 0.04 A 23 PRO CG C 13 27.99 0.06 A 24 VAL H H 1 8.56 0.00 A 24 VAL HA H 1 4.67 0.01 A 24 VAL HB H 1 2.11 0.02 A 24 VAL HG1% H 1 0.70 0.01 A 24 VAL HG2% H 1 0.99 0.01 A 24 VAL C C 13 176.78 0.00 A 24 VAL CA C 13 60.59 0.07 A 24 VAL CB C 13 33.70 0.04 A 24 VAL CGx C 13 18.34 0.05 A 24 VAL CGy C 13 22.41 0.06 A 24 VAL N N 15 109.10 0.03 A 25 HIS H H 1 7.39 0.00 A 25 HIS HA H 1 5.56 0.00 A 25 HIS HBx H 1 3.03 0.00 A 25 HIS HBy H 1 3.27 0.00 A 25 HIS HD2 H 1 7.12 0.02 A 25 HIS HE1 H 1 8.65 0.01 A 25 HIS CA C 13 54.93 0.04 A 25 HIS CB C 13 32.46 0.07 A 25 HIS CD2 C 13 120.45 0.01 A 25 HIS CE1 C 13 137.81 0.07 A 25 HIS N N 15 117.22 0.03 A 26 PHE HA H 1 4.39 0.03 A 26 PHE HBx H 1 1.62 0.00 A 26 PHE HBy H 1 2.88 0.00 A 26 PHE HDx H 1 6.63 0.02 A 26 PHE HDy H 1 6.63 0.02 A 26 PHE HEx H 1 6.70 0.02 A 26 PHE HEy H 1 6.70 0.02 A 26 PHE C C 13 173.61 0.00 A 26 PHE CA C 13 58.77 0.06 A 26 PHE CB C 13 39.13 0.09 A 26 PHE CDx C 13 130.85 0.01 A 26 PHE CEx C 13 130.63 0.02 A 27 VAL H H 1 8.17 0.02 A 27 VAL HA H 1 3.78 0.01 A 27 VAL HB H 1 1.20 0.01 A 27 VAL HG1% H 1 0.73 0.01 A 27 VAL HG2% H 1 0.85 0.00 A 27 VAL C C 13 176.07 0.00 A 27 VAL CA C 13 64.62 0.05 A 27 VAL CB C 13 32.81 0.08 A 27 VAL CGy C 13 22.51 0.10 A 27 VAL CGx C 13 21.01 0.03 A 27 VAL N N 15 129.18 0.02 A 28 GLY H H 1 6.65 0.00 A 28 GLY HAx H 1 4.12 0.00 A 28 GLY HAy H 1 4.12 0.00 A 28 GLY C C 13 170.86 0.00 A 28 GLY CA C 13 45.56 0.06 A 28 GLY N N 15 102.90 0.02 A 29 VAL H H 1 8.74 0.00 A 29 VAL HA H 1 4.29 0.01 A 29 VAL HB H 1 2.14 0.02 A 29 VAL HGx% H 1 1.10 0.00 A 29 VAL HGy% H 1 1.23 0.00 A 29 VAL C C 13 177.83 0.00 A 29 VAL CA C 13 62.89 0.05 A 29 VAL CB C 13 33.26 0.06 A 29 VAL CGx C 13 22.00 0.04 A 29 VAL CGy C 13 22.40 0.04 A 29 VAL N N 15 118.62 0.04 A 30 GLY H H 1 8.75 0.00 A 30 GLY HAx H 1 3.36 0.00 A 30 GLY HAy H 1 3.36 0.00 A 30 GLY C C 13 172.77 0.00 A 30 GLY CA C 13 46.80 0.06 A 30 GLY N N 15 115.29 0.02 A 31 SER H H 1 7.36 0.01 A 31 SER HA H 1 4.47 0.01 A 31 SER HBx H 1 3.69 0.01 A 31 SER HBy H 1 3.97 0.01 A 31 SER C C 13 173.40 0.00 A 31 SER CA C 13 57.49 0.03 A 31 SER CB C 13 64.89 0.09 A 31 SER N N 15 111.54 0.02 A 32 CYS H H 1 9.11 0.01 A 32 CYS HA H 1 4.57 0.00 A 32 CYS HBx H 1 2.84 0.02 A 32 CYS HBy H 1 3.20 0.00 A 32 CYS C C 13 174.84 0.00 A 32 CYS CA C 13 54.60 0.06 A 32 CYS CB C 13 41.87 0.09 A 32 CYS N N 15 118.07 0.03 A 33 GLY H H 1 8.33 0.00 A 33 GLY HAx H 1 4.67 0.00 A 33 GLY HAy H 1 4.67 0.00 A 33 GLY C C 13 174.05 0.00 A 33 GLY CA C 13 45.30 0.05 A 33 GLY N N 15 108.63 0.03 A 34 SER H H 1 8.34 0.00 A 34 SER HA H 1 4.47 0.01 A 34 SER HBx H 1 3.85 0.01 A 34 SER HBy H 1 3.92 0.01 A 34 SER C C 13 175.30 0.00 A 34 SER CA C 13 58.57 0.08 A 34 SER CB C 13 64.14 0.06 A 34 SER N N 15 115.88 0.03 A 35 GLY H H 1 8.46 0.00 A 35 GLY HAx H 1 3.97 0.01 A 35 GLY HAy H 1 3.97 0.01 A 35 GLY C C 13 174.78 0.00 A 35 GLY CA C 13 45.58 0.05 A 35 GLY N N 15 110.79 0.04 A 36 GLY H H 1 8.20 0.00 A 36 GLY HAx H 1 4.00 0.01 A 36 GLY HAy H 1 4.00 0.01 A 36 GLY C C 13 174.36 0.00 A 36 GLY CA C 13 45.38 0.03 A 36 GLY N N 15 108.82 0.03 A 37 SER H H 1 8.25 0.00 A 37 SER HA H 1 4.45 0.01 A 37 SER HBx H 1 3.70 0.01 A 37 SER HBy H 1 3.78 0.01 A 37 SER C C 13 175.10 0.00 A 37 SER CA C 13 58.65 0.06 A 37 SER CB C 13 64.17 0.04 A 37 SER N N 15 115.51 0.02 A 38 GLY H H 1 8.39 0.00 A 38 GLY HAx H 1 4.02 0.01 A 38 GLY HAy H 1 4.02 0.01 A 38 GLY C C 13 173.96 0.00 A 38 GLY CA C 13 45.51 0.06 A 38 GLY N N 15 110.63 0.03 A 39 ILE H H 1 7.72 0.01 A 39 ILE HA H 1 4.12 0.01 A 39 ILE HB H 1 1.75 0.00 A 39 ILE HD1% H 1 0.79 0.01 A 39 ILE HG1x H 1 1.05 0.01 A 39 ILE HG1y H 1 1.27 0.00 A 39 ILE HG2% H 1 0.77 0.01 A 39 ILE C C 13 175.79 0.00 A 39 ILE CA C 13 61.25 0.05 A 39 ILE CB C 13 38.62 0.06 A 39 ILE CD1 C 13 13.02 0.03 A 39 ILE CG1 C 13 27.15 0.06 A 39 ILE CG2 C 13 17.48 0.03 A 39 ILE N N 15 119.39 0.01 A 40 PHE H H 1 8.22 0.00 A 40 PHE HA H 1 4.66 0.01 A 40 PHE HBx H 1 2.99 0.01 A 40 PHE HBy H 1 3.14 0.01 A 40 PHE HDx H 1 7.25 0.02 A 40 PHE HDy H 1 7.25 0.02 A 40 PHE HEx H 1 7.34 0.02 A 40 PHE HEy H 1 7.34 0.02 A 40 PHE C C 13 175.36 0.00 A 40 PHE CA C 13 57.69 0.04 A 40 PHE CB C 13 39.46 0.04 A 40 PHE CDx C 13 131.64 0.02 A 40 PHE CEx C 13 131.84 0.08 A 40 PHE N N 15 124.02 0.02 A 41 LEU H H 1 8.03 0.00 A 41 LEU HA H 1 4.36 0.02 A 41 LEU HBx H 1 1.55 0.01 A 41 LEU HBy H 1 1.55 0.01 A 41 LEU HDx% H 1 0.82 0.02 A 41 LEU HDy% H 1 0.90 0.01 A 41 LEU HG H 1 1.35 0.01 A 41 LEU C C 13 177.04 0.00 A 41 LEU CA C 13 55.37 0.05 A 41 LEU CB C 13 42.64 0.07 A 41 LEU CDx C 13 23.51 0.00 A 41 LEU CDy C 13 25.11 0.00 A 41 LEU CG C 13 24.88 0.00 A 41 LEU N N 15 124.18 0.01 A 42 GLU H H 1 8.34 0.00 A 42 GLU HA H 1 4.34 0.01 A 42 GLU HBx H 1 1.98 0.02 A 42 GLU HBy H 1 2.09 0.01 A 42 GLU HGx H 1 2.32 0.01 A 42 GLU HGy H 1 2.32 0.01 A 42 GLU C C 13 176.80 0.00 A 42 GLU CA C 13 56.97 0.05 A 42 GLU CB C 13 29.91 0.05 A 42 GLU CG C 13 36.12 0.00 A 42 GLU N N 15 121.78 0.02 A 43 THR H H 1 8.04 0.00 A 43 THR HA H 1 4.34 0.02 A 43 THR HB H 1 4.28 0.01 A 43 THR HG2% H 1 1.21 0.00 A 43 THR C C 13 174.89 0.00 A 43 THR CA C 13 62.23 0.06 A 43 THR CB C 13 69.77 0.05 A 43 THR CG2 C 13 21.74 0.04 A 43 THR N N 15 113.92 0.02 A 44 SER H H 1 8.26 0.00 A 44 SER HA H 1 4.47 0.01 A 44 SER HBx H 1 3.90 0.01 A 44 SER HBy H 1 3.90 0.01 A 44 SER C C 13 174.68 0.00 A 44 SER CA C 13 58.76 0.05 A 44 SER CB C 13 63.78 0.07 A 44 SER N N 15 117.70 0.03 A 45 LEU H H 1 8.14 0.00 A 45 LEU HA H 1 4.34 0.01 A 45 LEU HBx H 1 1.67 0.01 A 45 LEU HBy H 1 1.67 0.01 A 45 LEU HDx% H 1 0.91 0.01 A 45 LEU HDy% H 1 0.91 0.01 A 45 LEU HG H 1 1.60 0.01 A 45 LEU C C 13 177.56 0.00 A 45 LEU CA C 13 55.48 0.03 A 45 LEU CB C 13 42.17 0.03 A 45 LEU CDx C 13 25.07 0.04 A 45 LEU CG C 13 29.83 0.04 A 45 LEU N N 15 123.51 0.02 A 46 SER H H 1 8.17 0.00 A 46 SER HA H 1 4.46 0.02 A 46 SER HBx H 1 3.86 0.02 A 46 SER HBy H 1 3.86 0.02 A 46 SER C C 13 174.58 0.00 A 46 SER CA C 13 58.36 0.04 A 46 SER CB C 13 64.06 0.07 A 46 SER N N 15 116.00 0.02 A 47 ALA H H 1 8.26 0.00 A 47 ALA HA H 1 4.37 0.02 A 47 ALA HB% H 1 1.43 0.01 A 47 ALA C C 13 178.36 0.00 A 47 ALA CA C 13 53.08 0.01 A 47 ALA CB C 13 19.09 0.05 A 47 ALA N N 15 125.97 0.02 A 48 GLY H H 1 8.51 0.01 A 48 GLY HAx H 1 3.99 0.01 A 48 GLY HAy H 1 4.08 0.00 A 48 GLY C C 13 174.57 0.00 A 48 GLY CA C 13 45.75 0.04 A 48 GLY N N 15 108.70 0.02 A 49 SER H H 1 8.09 0.00 A 49 SER HA H 1 4.46 0.01 A 49 SER HBx H 1 3.92 0.02 A 49 SER HBy H 1 3.92 0.02 A 49 SER C C 13 173.12 0.00 A 49 SER CA C 13 57.74 0.05 A 49 SER CB C 13 63.25 0.02 A 49 SER N N 15 116.55 0.02 A 50 ASP H H 1 8.16 0.00 A 50 ASP HA H 1 4.88 0.01 A 50 ASP HBx H 1 2.94 0.00 A 50 ASP HBy H 1 3.13 0.01 A 50 ASP C C 13 175.69 0.00 A 50 ASP CA C 13 53.27 0.03 A 50 ASP CB C 13 42.87 0.07 A 50 ASP N N 15 120.60 0.02 A 51 TRP H H 1 8.99 0.01 A 51 TRP HA H 1 5.49 0.02 A 51 TRP HBx H 1 3.22 0.01 A 51 TRP HBy H 1 3.39 0.02 A 51 TRP HD1 H 1 7.32 0.02 A 51 TRP HE1 H 1 10.27 0.01 A 51 TRP HE3 H 1 7.24 0.02 A 51 TRP HH2 H 1 6.88 0.01 A 51 TRP HZ2 H 1 7.40 0.02 A 51 TRP HZ3 H 1 8.28 0.01 A 51 TRP C C 13 178.10 0.00 A 51 TRP CA C 13 58.19 0.03 A 51 TRP CB C 13 31.48 0.09 A 51 TRP CD1 C 13 128.33 0.07 A 51 TRP CE3 C 13 123.94 0.05 A 51 TRP CH2 C 13 120.68 0.01 A 51 TRP CZ2 C 13 115.19 0.02 A 51 TRP CZ3 C 13 125.04 0.07 A 51 TRP N N 15 123.03 0.02 A 51 TRP NE1 N 15 129.61 0.01 A 52 LEU H H 1 8.14 0.00 A 52 LEU HA H 1 3.79 0.02 A 52 LEU HBx H 1 1.62 0.02 A 52 LEU HBy H 1 1.80 0.01 A 52 LEU HD1% H 1 0.86 0.00 A 52 LEU HD2% H 1 0.93 0.01 A 52 LEU HG H 1 1.66 0.02 A 52 LEU C C 13 179.96 0.00 A 52 LEU CA C 13 58.70 0.02 A 52 LEU CB C 13 40.87 0.05 A 52 LEU CDx C 13 24.02 0.02 A 52 LEU CDy C 13 24.39 0.00 A 52 LEU CG C 13 27.28 0.02 A 52 LEU N N 15 120.92 0.02 A 53 THR H H 1 8.67 0.00 A 53 THR HA H 1 4.34 0.01 A 53 THR HB H 1 3.74 0.01 A 53 THR HG2% H 1 1.28 0.01 A 53 THR C C 13 175.86 0.00 A 53 THR CA C 13 67.39 0.04 A 53 THR CB C 13 67.90 0.04 A 53 THR CG2 C 13 22.19 0.00 A 53 THR N N 15 117.31 0.03 A 54 PHE H H 1 8.65 0.01 A 54 PHE HA H 1 4.11 0.01 A 54 PHE HBx H 1 3.20 0.02 A 54 PHE HBy H 1 3.69 0.01 A 54 PHE HDx H 1 7.05 0.02 A 54 PHE HDy H 1 7.05 0.02 A 54 PHE HEx H 1 7.10 0.01 A 54 PHE HEy H 1 7.10 0.01 A 54 PHE HZ H 1 6.93 0.01 A 54 PHE C C 13 178.05 0.00 A 54 PHE CA C 13 62.49 0.10 A 54 PHE CB C 13 39.65 0.05 A 54 PHE CDx C 13 132.96 0.06 A 54 PHE CEx C 13 130.19 0.08 A 54 PHE CZ C 13 128.33 0.06 A 54 PHE N N 15 123.50 0.02 A 55 GLN H H 1 8.26 0.01 A 55 GLN HA H 1 3.57 0.01 A 55 GLN HBx H 1 1.71 0.01 A 55 GLN HBy H 1 1.82 0.01 A 55 GLN HE2x H 1 4.67 0.00 A 55 GLN HE2y H 1 6.57 0.01 A 55 GLN HGx H 1 1.28 0.01 A 55 GLN HGy H 1 1.28 0.01 A 55 GLN C C 13 178.39 0.00 A 55 GLN CA C 13 59.69 0.03 A 55 GLN CB C 13 30.15 0.08 A 55 GLN CG C 13 35.02 0.00 A 55 GLN N N 15 117.36 0.08 A 55 GLN NE2 N 15 107.58 0.01 A 56 LYS H H 1 7.55 0.00 A 56 LYS HA H 1 3.98 0.00 A 56 LYS HBx H 1 1.75 0.02 A 56 LYS HBy H 1 1.85 0.01 A 56 LYS HDx H 1 1.56 0.06 A 56 LYS HDy H 1 1.56 0.06 A 56 LYS HEx H 1 2.88 0.01 A 56 LYS HEy H 1 2.88 0.01 A 56 LYS HGx H 1 1.46 0.00 A 56 LYS HGy H 1 1.46 0.00 A 56 LYS C C 13 178.77 0.00 A 56 LYS CA C 13 59.14 0.04 A 56 LYS CB C 13 32.75 0.06 A 56 LYS CD C 13 29.43 0.01 A 56 LYS CE C 13 42.19 0.01 A 56 LYS CG C 13 25.29 0.06 A 56 LYS N N 15 117.92 0.02 A 57 LYS H H 1 8.00 0.00 A 57 LYS HA H 1 4.13 0.02 A 57 LYS HBx H 1 1.01 0.01 A 57 LYS HBy H 1 1.34 0.01 A 57 LYS HDx H 1 1.52 0.01 A 57 LYS HDy H 1 1.52 0.01 A 57 LYS HEx H 1 2.79 0.00 A 57 LYS HEy H 1 2.79 0.00 A 57 LYS HGx H 1 1.41 0.01 A 57 LYS HGy H 1 1.41 0.01 A 57 LYS C C 13 176.56 0.00 A 57 LYS CA C 13 57.83 0.02 A 57 LYS CB C 13 34.63 0.05 A 57 LYS CD C 13 29.49 0.03 A 57 LYS CE C 13 39.73 0.00 A 57 LYS CG C 13 26.90 0.00 A 57 LYS N N 15 114.03 0.03 A 58 HIS H H 1 7.85 0.00 A 58 HIS HA H 1 4.65 0.03 A 58 HIS HBx H 1 1.80 0.00 A 58 HIS HBy H 1 2.64 0.01 A 58 HIS HD2 H 1 6.38 0.06 A 58 HIS HE1 H 1 8.33 0.01 A 58 HIS C C 13 173.94 0.00 A 58 HIS CA C 13 55.47 0.06 A 58 HIS CB C 13 30.30 0.07 A 58 HIS CD2 C 13 122.70 0.09 A 58 HIS CE1 C 13 138.34 0.07 A 58 HIS N N 15 107.50 0.02 A 59 ILE H H 1 8.29 0.00 A 59 ILE HA H 1 5.15 0.01 A 59 ILE HB H 1 2.26 0.00 A 59 ILE HD1% H 1 1.11 0.00 A 59 ILE HG1x H 1 1.35 0.00 A 59 ILE HG1y H 1 1.67 0.00 A 59 ILE HG2% H 1 1.07 0.00 A 59 ILE C C 13 175.09 0.00 A 59 ILE CA C 13 60.89 0.02 A 59 ILE CB C 13 37.33 0.03 A 59 ILE CD1 C 13 12.97 0.00 A 59 ILE CG1 C 13 28.25 0.01 A 59 ILE CG2 C 13 17.73 0.00 A 59 ILE N N 15 121.71 0.02 A 60 THR H H 1 8.65 0.00 A 60 THR HA H 1 5.08 0.01 A 60 THR HB H 1 3.76 0.01 A 60 THR HG2% H 1 1.10 0.01 A 60 THR C C 13 171.44 0.00 A 60 THR CA C 13 58.11 0.07 A 60 THR CB C 13 70.94 0.04 A 60 THR CG2 C 13 20.06 0.03 A 60 THR N N 15 120.51 0.02 A 61 ASN H H 1 8.33 0.00 A 61 ASN HA H 1 4.97 0.01 A 61 ASN HBx H 1 2.86 0.01 A 61 ASN HBy H 1 3.07 0.01 A 61 ASN HD2x H 1 6.81 0.00 A 61 ASN HD2y H 1 7.53 0.00 A 61 ASN C C 13 174.85 0.00 A 61 ASN CA C 13 52.77 0.03 A 61 ASN CB C 13 38.39 0.05 A 61 ASN N N 15 123.15 0.03 A 61 ASN ND2 N 15 111.29 0.01 A 62 THR H H 1 7.96 0.00 A 62 THR HA H 1 4.49 0.00 A 62 THR HB H 1 3.98 0.01 A 62 THR HG2% H 1 0.84 0.01 A 62 THR C C 13 172.66 0.00 A 62 THR CA C 13 58.98 0.04 A 62 THR CB C 13 69.61 0.07 A 62 THR CG2 C 13 23.85 0.06 A 62 THR N N 15 113.55 0.03 A 63 ARG H H 1 8.50 0.00 A 63 ARG HA H 1 3.59 0.02 A 63 ARG HBx H 1 0.98 0.02 A 63 ARG HBy H 1 1.39 0.00 A 63 ARG HDx H 1 2.77 0.01 A 63 ARG HDy H 1 2.77 0.01 A 63 ARG HGx H 1 0.99 0.00 A 63 ARG HGy H 1 1.09 0.00 A 63 ARG C C 13 178.58 0.00 A 63 ARG CA C 13 57.91 0.02 A 63 ARG CB C 13 29.42 0.03 A 63 ARG CD C 13 42.98 0.05 A 63 ARG CG C 13 26.58 0.01 A 63 ARG N N 15 125.70 0.02 A 64 ASP H H 1 7.92 0.00 A 64 ASP HA H 1 4.65 0.01 A 64 ASP HBx H 1 2.24 0.00 A 64 ASP HBy H 1 2.42 0.01 A 64 ASP C C 13 174.10 0.00 A 64 ASP CA C 13 53.14 0.01 A 64 ASP CB C 13 39.26 0.07 A 64 ASP N N 15 122.08 0.03 A 65 VAL H H 1 6.57 0.00 A 65 VAL HA H 1 3.12 0.01 A 65 VAL HB H 1 1.34 0.01 A 65 VAL HG1% H 1 -0.02 0.01 A 65 VAL HG2% H 1 0.45 0.01 A 65 VAL C C 13 175.44 0.00 A 65 VAL CA C 13 62.97 0.03 A 65 VAL CB C 13 32.52 0.07 A 65 VAL CGx C 13 20.19 0.04 A 65 VAL CGy C 13 21.26 0.04 A 65 VAL N N 15 121.27 0.03 A 66 ASP H H 1 8.58 0.00 A 66 ASP HA H 1 4.63 0.01 A 66 ASP HBx H 1 2.47 0.00 A 66 ASP HBy H 1 2.88 0.01 A 66 ASP C C 13 176.41 0.00 A 66 ASP CA C 13 51.47 0.03 A 66 ASP CB C 13 38.13 0.03 A 66 ASP N N 15 126.84 0.03 A 67 CYS H H 1 7.94 0.00 A 67 CYS HA H 1 4.65 0.02 A 67 CYS HBx H 1 2.98 0.02 A 67 CYS HBy H 1 3.13 0.01 A 67 CYS C C 13 175.01 0.00 A 67 CYS CA C 13 57.85 0.05 A 67 CYS CB C 13 39.82 0.08 A 67 CYS N N 15 121.13 0.03 A 68 DAS H H 1 8.74 0.00 A 68 DAS HA H 1 4.39 0.01 A 68 DAS HBx H 1 2.64 0.01 A 68 DAS HBy H 1 2.78 0.02 A 68 DAS C C 13 177.94 0.00 A 68 DAS CA C 13 58.11 0.06 A 68 DAS CB C 13 39.39 0.03 A 68 DAS N N 15 118.59 0.02 A 69 ASN H H 1 7.10 0.00 A 69 ASN HA H 1 4.66 0.00 A 69 ASN HBx H 1 2.61 0.01 A 69 ASN HBy H 1 2.61 0.01 A 69 ASN HD2x H 1 6.81 0.00 A 69 ASN HD2y H 1 8.31 0.00 A 69 ASN C C 13 176.82 0.00 A 69 ASN CA C 13 55.07 0.03 A 69 ASN CB C 13 39.66 0.03 A 69 ASN N N 15 114.59 0.02 A 69 ASN ND2 N 15 115.11 0.01 A 70 ILE H H 1 7.90 0.00 A 70 ILE HA H 1 4.08 0.01 A 70 ILE HB H 1 1.56 0.02 A 70 ILE HD1% H 1 0.59 0.01 A 70 ILE HG1x H 1 1.21 0.00 A 70 ILE HG1y H 1 1.40 0.00 A 70 ILE HG2% H 1 0.72 0.00 A 70 ILE C C 13 178.38 0.00 A 70 ILE CA C 13 63.52 0.03 A 70 ILE CB C 13 38.40 0.04 A 70 ILE CD1 C 13 17.93 0.02 A 70 ILE CG1 C 13 29.07 0.07 A 70 ILE CG2 C 13 13.03 0.05 A 70 ILE N N 15 119.13 0.01 A 71 MET H H 1 8.51 0.00 A 71 MET HA H 1 4.26 0.00 A 71 MET HBx H 1 1.77 0.02 A 71 MET HBy H 1 1.77 0.02 A 71 MET C C 13 176.49 0.00 A 71 MET CA C 13 55.57 0.01 A 71 MET CB C 13 29.78 0.02 A 71 MET N N 15 117.99 0.01 A 72 SER H H 1 7.22 0.01 A 72 SER HA H 1 4.79 0.01 A 72 SER HBx H 1 4.17 0.02 A 72 SER HBy H 1 4.22 0.01 A 72 SER C C 13 176.13 0.00 A 72 SER CA C 13 58.30 0.04 A 72 SER CB C 13 64.74 0.04 A 72 SER N N 15 109.23 0.04 A 73 THR H H 1 7.53 0.00 A 73 THR HA H 1 4.59 0.04 A 73 THR HB H 1 4.66 0.02 A 73 THR HG2% H 1 1.55 0.00 A 73 THR C C 13 175.97 0.00 A 73 THR CA C 13 62.01 0.04 A 73 THR CB C 13 72.28 0.05 A 73 THR CG2 C 13 21.85 0.01 A 73 THR N N 15 112.55 0.02 A 74 ASN H H 1 9.02 0.00 A 74 ASN HA H 1 4.08 0.01 A 74 ASN HBx H 1 2.85 0.00 A 74 ASN HBy H 1 2.85 0.00 A 74 ASN HD2x H 1 6.93 0.00 A 74 ASN HD2y H 1 7.59 0.00 A 74 ASN C C 13 175.58 0.00 A 74 ASN CA C 13 55.79 0.09 A 74 ASN CB C 13 37.81 0.04 A 74 ASN N N 15 119.25 0.03 A 74 ASN ND2 N 15 112.32 0.01 A 75 LEU H H 1 7.35 0.00 A 75 LEU HA H 1 3.88 0.01 A 75 LEU HBx H 1 0.85 0.01 A 75 LEU HBy H 1 1.20 0.00 A 75 LEU HDx% H 1 0.50 0.00 A 75 LEU HDy% H 1 0.64 0.00 A 75 LEU HG H 1 0.74 0.01 A 75 LEU C C 13 176.62 0.00 A 75 LEU CA C 13 56.95 0.02 A 75 LEU CB C 13 42.74 0.03 A 75 LEU CDy C 13 25.19 0.00 A 75 LEU CDx C 13 23.97 0.00 A 75 LEU CG C 13 26.32 0.00 A 75 LEU N N 15 117.59 0.02 A 76 PHE H H 1 6.81 0.01 A 76 PHE HA H 1 4.53 0.00 A 76 PHE HBx H 1 3.01 0.01 A 76 PHE HBy H 1 3.01 0.01 A 76 PHE HDx H 1 7.05 0.02 A 76 PHE HDy H 1 7.05 0.02 A 76 PHE HEx H 1 7.06 0.00 A 76 PHE HEy H 1 7.06 0.00 A 76 PHE C C 13 176.19 0.00 A 76 PHE CA C 13 58.85 0.05 A 76 PHE CB C 13 43.03 0.06 A 76 PHE N N 15 112.68 0.02 A 77 HIS H H 1 9.02 0.01 A 77 HIS HA H 1 4.33 0.01 A 77 HIS HBx H 1 3.25 0.01 A 77 HIS HBy H 1 3.25 0.01 A 77 HIS HD2 H 1 7.19 0.02 A 77 HIS HE1 H 1 8.61 0.02 A 77 HIS C C 13 173.80 0.00 A 77 HIS CA C 13 56.52 0.02 A 77 HIS CB C 13 27.52 0.06 A 77 HIS CD2 C 13 120.72 0.03 A 77 HIS CE1 C 13 136.39 0.08 A 77 HIS N N 15 114.65 0.03 A 78 CYS H H 1 9.20 0.00 A 78 CYS HA H 1 4.61 0.01 A 78 CYS HBx H 1 3.27 0.02 A 78 CYS HBy H 1 3.49 0.01 A 78 CYS C C 13 175.34 0.00 A 78 CYS CA C 13 56.80 0.01 A 78 CYS CB C 13 39.57 0.10 A 78 CYS N N 15 109.70 0.02 A 79 LYS H H 1 7.20 0.00 A 79 LYS HA H 1 4.37 0.01 A 79 LYS HBx H 1 2.26 0.02 A 79 LYS HBy H 1 2.26 0.02 A 79 LYS HDx H 1 1.87 0.01 A 79 LYS HDy H 1 2.00 0.03 A 79 LYS HEx H 1 3.31 0.01 A 79 LYS HEy H 1 3.31 0.01 A 79 LYS HGx H 1 1.58 0.01 A 79 LYS HGy H 1 1.72 0.01 A 79 LYS HZ1 H 1 7.05 0.00 A 79 LYS HZ2 H 1 7.05 0.00 A 79 LYS HZ3 H 1 7.05 0.00 A 79 LYS C C 13 176.30 0.00 A 79 LYS CA C 13 56.71 0.03 A 79 LYS CB C 13 32.76 0.06 A 79 LYS CD C 13 30.33 0.03 A 79 LYS CE C 13 41.95 0.03 A 79 LYS CG C 13 24.74 0.03 A 79 LYS N N 15 116.82 0.01 A 80 ASP H H 1 8.56 0.00 A 80 ASP HA H 1 4.20 0.00 A 80 ASP HBx H 1 2.80 0.01 A 80 ASP HBy H 1 2.80 0.01 A 80 ASP C C 13 175.27 0.00 A 80 ASP CA C 13 57.79 0.03 A 80 ASP CB C 13 40.42 0.03 A 80 ASP N N 15 121.71 0.02 A 81 LYS H H 1 7.55 0.00 A 81 LYS HA H 1 5.63 0.01 A 81 LYS HBx H 1 1.83 0.01 A 81 LYS HBy H 1 1.94 0.02 A 81 LYS HDx H 1 1.64 0.01 A 81 LYS HDy H 1 1.64 0.01 A 81 LYS HEx H 1 2.97 0.00 A 81 LYS HEy H 1 2.97 0.00 A 81 LYS HGx H 1 1.35 0.00 A 81 LYS HGy H 1 1.35 0.00 A 81 LYS C C 13 175.90 0.00 A 81 LYS CA C 13 54.83 0.03 A 81 LYS CB C 13 36.14 0.01 A 81 LYS CD C 13 29.63 0.02 A 81 LYS CE C 13 42.22 0.02 A 81 LYS CG C 13 24.29 0.05 A 81 LYS N N 15 114.43 0.03 A 82 ASN H H 1 7.96 0.00 A 82 ASN HA H 1 4.58 0.01 A 82 ASN HBx H 1 1.80 0.01 A 82 ASN HBy H 1 2.10 0.00 A 82 ASN HD2x H 1 3.64 0.00 A 82 ASN HD2y H 1 6.12 0.00 A 82 ASN C C 13 173.41 0.00 A 82 ASN CA C 13 54.96 0.01 A 82 ASN CB C 13 44.11 0.04 A 82 ASN N N 15 116.15 0.02 A 82 ASN ND2 N 15 115.84 0.02 A 83 THR H H 1 7.81 0.01 A 83 THR HA H 1 4.57 0.01 A 83 THR HB H 1 2.48 0.01 A 83 THR HG2% H 1 0.81 0.05 A 83 THR C C 13 171.99 0.00 A 83 THR CA C 13 62.69 0.06 A 83 THR CB C 13 69.55 0.05 A 83 THR N N 15 122.40 0.04 A 84 PHE H H 1 9.34 0.01 A 84 PHE HA H 1 4.59 0.01 A 84 PHE HBx H 1 2.55 0.02 A 84 PHE HBy H 1 2.98 0.01 A 84 PHE HDx H 1 6.95 0.02 A 84 PHE HDy H 1 6.95 0.02 A 84 PHE HEx H 1 6.94 0.01 A 84 PHE HEy H 1 6.94 0.01 A 84 PHE HZ H 1 6.44 0.03 A 84 PHE C C 13 173.73 0.00 A 84 PHE CA C 13 56.30 0.01 A 84 PHE CB C 13 41.56 0.20 A 84 PHE CDx C 13 132.40 0.55 A 84 PHE CZ C 13 131.28 0.00 A 84 PHE N N 15 125.70 0.02 A 85 ILE H H 1 9.45 0.00 A 85 ILE HA H 1 4.32 0.02 A 85 ILE HB H 1 1.84 0.01 A 85 ILE HD1% H 1 0.42 0.00 A 85 ILE HG1x H 1 0.11 0.00 A 85 ILE HG1y H 1 1.14 0.00 A 85 ILE HG2% H 1 0.86 0.00 A 85 ILE C C 13 175.67 0.00 A 85 ILE CA C 13 60.83 0.04 A 85 ILE CB C 13 40.66 0.03 A 85 ILE CD1 C 13 15.97 0.04 A 85 ILE CG1 C 13 26.16 0.05 A 85 ILE CG2 C 13 18.95 0.06 A 85 ILE N N 15 122.98 0.01 A 86 TYR H H 1 8.99 0.02 A 86 TYR HA H 1 5.46 0.01 A 86 TYR HBx H 1 2.66 0.01 A 86 TYR HBy H 1 3.20 0.02 A 86 TYR HDx H 1 6.98 0.02 A 86 TYR HDy H 1 6.98 0.02 A 86 TYR HEx H 1 6.72 0.02 A 86 TYR HEy H 1 6.72 0.02 A 86 TYR C C 13 173.42 0.00 A 86 TYR CA C 13 55.28 0.12 A 86 TYR CB C 13 37.32 0.07 A 86 TYR CDx C 13 133.00 0.04 A 86 TYR CEx C 13 118.40 0.05 A 86 TYR N N 15 129.33 0.03 A 87 SER H H 1 7.73 0.00 A 87 SER HA H 1 4.39 0.01 A 87 SER HBx H 1 3.23 0.00 A 87 SER HBy H 1 3.23 0.00 A 87 SER C C 13 174.10 0.00 A 87 SER CA C 13 57.16 0.03 A 87 SER CB C 13 65.17 0.03 A 87 SER N N 15 121.04 0.03 A 88 ARG H H 1 8.45 0.00 A 88 ARG HA H 1 4.76 0.02 A 88 ARG HBx H 1 1.73 0.01 A 88 ARG HBy H 1 2.44 0.00 A 88 ARG HDx H 1 3.34 0.00 A 88 ARG HDy H 1 3.41 0.00 A 88 ARG HGx H 1 1.90 0.01 A 88 ARG HGy H 1 1.90 0.01 A 88 ARG CA C 13 56.21 0.01 A 88 ARG CB C 13 28.83 0.06 A 88 ARG CD C 13 43.03 0.04 A 88 ARG CG C 13 27.93 0.05 A 88 ARG N N 15 123.53 0.02 A 89 PRO HA H 1 4.48 0.01 A 89 PRO HBx H 1 2.34 0.01 A 89 PRO HBy H 1 2.50 0.01 A 89 PRO HDx H 1 3.95 0.01 A 89 PRO HDy H 1 4.00 0.02 A 89 PRO HGx H 1 2.16 0.01 A 89 PRO HGy H 1 2.33 0.00 A 89 PRO C C 13 178.49 0.00 A 89 PRO CA C 13 66.15 0.09 A 89 PRO CB C 13 32.34 0.07 A 89 PRO CD C 13 50.37 0.04 A 89 PRO CG C 13 28.31 0.02 A 90 GLU H H 1 9.42 0.00 A 90 GLU HA H 1 4.24 0.01 A 90 GLU HBx H 1 2.03 0.01 A 90 GLU HBy H 1 2.36 0.01 A 90 GLU HGx H 1 2.43 0.01 A 90 GLU HGy H 1 2.67 0.01 A 90 GLU CA C 13 63.59 0.08 A 90 GLU CB C 13 25.55 0.07 A 90 GLU CG C 13 37.34 0.02 A 90 GLU N N 15 118.42 0.01 A 91 PRO HA H 1 4.49 0.01 A 91 PRO HBx H 1 1.93 0.00 A 91 PRO HBy H 1 2.50 0.00 A 91 PRO HDx H 1 3.73 0.01 A 91 PRO HDy H 1 3.99 0.01 A 91 PRO HGx H 1 2.11 0.01 A 91 PRO HGy H 1 2.15 0.00 A 91 PRO C C 13 178.38 0.00 A 91 PRO CA C 13 65.34 0.04 A 91 PRO CB C 13 31.64 0.06 A 91 PRO CD C 13 50.08 0.02 A 91 PRO CG C 13 28.09 0.01 A 92 VAL H H 1 6.91 0.00 A 92 VAL HA H 1 3.93 0.01 A 92 VAL HB H 1 2.63 0.01 A 92 VAL HG1% H 1 1.23 0.02 A 92 VAL HG2% H 1 1.28 0.00 A 92 VAL C C 13 176.71 0.00 A 92 VAL CA C 13 64.98 0.05 A 92 VAL CB C 13 31.81 0.07 A 92 VAL CGy C 13 23.12 0.03 A 92 VAL CGx C 13 22.88 0.06 A 92 VAL N N 15 115.94 0.05 A 93 LYS H H 1 8.47 0.00 A 93 LYS HA H 1 2.92 0.02 A 93 LYS HBx H 1 1.53 0.00 A 93 LYS HBy H 1 1.62 0.01 A 93 LYS HDx H 1 1.18 0.02 A 93 LYS HDy H 1 1.26 0.01 A 93 LYS HEx H 1 2.28 0.02 A 93 LYS HEy H 1 2.43 0.01 A 93 LYS HGx H 1 -0.09 0.02 A 93 LYS HGy H 1 1.17 0.02 A 93 LYS HZ1 H 1 7.38 0.00 A 93 LYS HZ2 H 1 7.38 0.00 A 93 LYS HZ3 H 1 7.38 0.00 A 93 LYS C C 13 179.62 0.00 A 93 LYS CA C 13 59.24 0.03 A 93 LYS CB C 13 32.31 0.06 A 93 LYS CD C 13 29.16 0.04 A 93 LYS CE C 13 42.15 0.03 A 93 LYS CG C 13 25.75 0.06 A 93 LYS N N 15 121.42 0.03 A 94 ALA H H 1 7.74 0.00 A 94 ALA HA H 1 3.93 0.01 A 94 ALA HB% H 1 1.48 0.02 A 94 ALA C C 13 179.03 0.00 A 94 ALA CA C 13 54.18 0.06 A 94 ALA CB C 13 18.34 0.07 A 94 ALA N N 15 115.82 0.02 A 95 ILE H H 1 7.42 0.01 A 95 ILE HA H 1 3.71 0.02 A 95 ILE HB H 1 1.77 0.01 A 95 ILE HD1% H 1 0.80 0.01 A 95 ILE HG1x H 1 1.28 0.00 A 95 ILE HG1y H 1 1.84 0.01 A 95 ILE HG2% H 1 0.69 0.00 A 95 ILE C C 13 177.24 0.00 A 95 ILE CA C 13 64.44 0.03 A 95 ILE CB C 13 38.43 0.06 A 95 ILE CD1 C 13 15.62 0.04 A 95 ILE CG1 C 13 27.46 0.06 A 95 ILE CG2 C 13 17.02 0.01 A 95 ILE N N 15 119.56 0.01 A 96 CYS H H 1 7.15 0.00 A 96 CYS HA H 1 4.72 0.00 A 96 CYS HBx H 1 1.86 0.01 A 96 CYS HBy H 1 2.99 0.01 A 96 CYS C C 13 174.34 0.00 A 96 CYS CA C 13 51.60 0.05 A 96 CYS CB C 13 36.30 0.08 A 96 CYS N N 15 111.73 0.02 A 97 LYS H H 1 7.31 0.00 A 97 LYS HA H 1 3.90 0.02 A 97 LYS HBx H 1 1.77 0.02 A 97 LYS HBy H 1 1.84 0.01 A 97 LYS HDx H 1 1.66 0.01 A 97 LYS HDy H 1 1.71 0.01 A 97 LYS HEx H 1 2.98 0.00 A 97 LYS HEy H 1 2.98 0.00 A 97 LYS HGx H 1 1.39 0.01 A 97 LYS HGy H 1 1.44 0.01 A 97 LYS C C 13 177.76 0.00 A 97 LYS CA C 13 59.35 0.05 A 97 LYS CB C 13 32.11 0.10 A 97 LYS CD C 13 29.55 0.02 A 97 LYS CE C 13 42.18 0.08 A 97 LYS CG C 13 24.48 0.02 A 97 LYS N N 15 123.82 0.02 A 98 GLY H H 1 9.16 0.00 A 98 GLY HAx H 1 3.52 0.00 A 98 GLY HAy H 1 4.14 0.00 A 98 GLY C C 13 172.44 0.00 A 98 GLY CA C 13 45.29 0.03 A 98 GLY N N 15 114.01 0.03 A 99 ILE H H 1 7.82 0.01 A 99 ILE HA H 1 4.01 0.01 A 99 ILE HB H 1 1.79 0.01 A 99 ILE HD1% H 1 0.77 0.01 A 99 ILE HG1x H 1 0.99 0.02 A 99 ILE HG1y H 1 1.28 0.01 A 99 ILE HG2% H 1 0.78 0.01 A 99 ILE C C 13 173.81 0.00 A 99 ILE CA C 13 60.94 0.04 A 99 ILE CB C 13 36.33 0.03 A 99 ILE CD1 C 13 12.41 0.03 A 99 ILE CG1 C 13 26.69 0.05 A 99 ILE CG2 C 13 18.33 0.36 A 99 ILE N N 15 122.34 0.03 A 100 ILE H H 1 8.24 0.00 A 100 ILE HA H 1 3.84 0.01 A 100 ILE HB H 1 1.95 0.01 A 100 ILE HD1% H 1 0.76 0.00 A 100 ILE HG1x H 1 1.19 0.00 A 100 ILE HG1y H 1 1.41 0.00 A 100 ILE HG2% H 1 0.97 0.00 A 100 ILE C C 13 176.61 0.00 A 100 ILE CA C 13 63.40 0.03 A 100 ILE CB C 13 37.78 0.07 A 100 ILE CD1 C 13 11.70 0.00 A 100 ILE CG1 C 13 28.40 0.16 A 100 ILE CG2 C 13 17.46 0.01 A 100 ILE N N 15 128.11 0.04 A 101 ALA H H 1 7.74 0.00 A 101 ALA HA H 1 4.36 0.01 A 101 ALA HB% H 1 1.42 0.01 A 101 ALA C C 13 176.68 0.00 A 101 ALA CA C 13 52.03 0.03 A 101 ALA CB C 13 18.66 0.08 A 101 ALA N N 15 123.50 0.03 A 102 SER H H 1 7.97 0.00 A 102 SER HA H 1 5.01 0.01 A 102 SER HBx H 1 3.65 0.01 A 102 SER HBy H 1 3.65 0.01 A 102 SER C C 13 175.74 0.00 A 102 SER CA C 13 58.68 0.07 A 102 SER CB C 13 63.57 0.06 A 102 SER N N 15 112.95 0.05 A 103 LYS H H 1 8.34 0.00 A 103 LYS HA H 1 4.37 0.01 A 103 LYS HBx H 1 1.58 0.01 A 103 LYS HBy H 1 1.80 0.01 A 103 LYS HDx H 1 1.59 0.02 A 103 LYS HDy H 1 1.65 0.00 A 103 LYS HEx H 1 2.97 0.01 A 103 LYS HEy H 1 2.97 0.01 A 103 LYS HGx H 1 1.36 0.00 A 103 LYS HGy H 1 1.36 0.00 A 103 LYS C C 13 174.52 0.00 A 103 LYS CA C 13 56.18 0.01 A 103 LYS CB C 13 36.03 0.01 A 103 LYS CD C 13 29.65 0.01 A 103 LYS CE C 13 41.94 0.00 A 103 LYS CG C 13 24.52 0.00 A 103 LYS N N 15 124.74 0.02 A 104 ASN H H 1 8.68 0.00 A 104 ASN HA H 1 5.80 0.00 A 104 ASN HBx H 1 2.40 0.00 A 104 ASN HBy H 1 2.77 0.00 A 104 ASN HD2x H 1 6.82 0.00 A 104 ASN HD2y H 1 7.50 0.00 A 104 ASN C C 13 175.18 0.00 A 104 ASN CA C 13 52.15 0.03 A 104 ASN CB C 13 37.41 0.04 A 104 ASN N N 15 125.81 0.02 A 104 ASN ND2 N 15 110.28 0.03 A 105 VAL H H 1 9.41 0.00 A 105 VAL HA H 1 4.15 0.01 A 105 VAL HB H 1 1.81 0.01 A 105 VAL HG1% H 1 0.72 0.01 A 105 VAL HG2% H 1 0.78 0.01 A 105 VAL C C 13 172.59 0.00 A 105 VAL CA C 13 61.63 0.04 A 105 VAL CB C 13 36.10 0.06 A 105 VAL CGx C 13 21.36 0.03 A 105 VAL CGy C 13 21.81 0.04 A 105 VAL N N 15 124.81 0.01 A 106 LEU H H 1 8.12 0.00 A 106 LEU HA H 1 4.65 0.00 A 106 LEU HBx H 1 1.42 0.00 A 106 LEU HBy H 1 1.74 0.01 A 106 LEU HD1% H 1 0.47 0.00 A 106 LEU HD2% H 1 0.86 0.00 A 106 LEU HG H 1 1.81 0.00 A 106 LEU C C 13 177.20 0.00 A 106 LEU CA C 13 52.70 0.07 A 106 LEU CB C 13 43.86 0.03 A 106 LEU CDx C 13 23.17 0.03 A 106 LEU CDy C 13 26.35 0.03 A 106 LEU CG C 13 26.04 0.09 A 106 LEU N N 15 127.84 0.03 A 107 THR H H 1 8.67 0.00 A 107 THR HA H 1 4.10 0.01 A 107 THR HB H 1 4.65 0.02 A 107 THR HG2% H 1 0.50 0.00 A 107 THR C C 13 174.67 0.00 A 107 THR CA C 13 63.13 0.03 A 107 THR CB C 13 69.82 0.06 A 107 THR CG2 C 13 21.80 0.02 A 107 THR N N 15 118.42 0.05 A 108 THR H H 1 8.51 0.00 A 108 THR HA H 1 4.24 0.02 A 108 THR HB H 1 4.37 0.02 A 108 THR HG2% H 1 1.30 0.00 A 108 THR C C 13 175.12 0.00 A 108 THR CA C 13 63.02 0.06 A 108 THR CB C 13 69.24 0.06 A 108 THR CG2 C 13 22.19 0.06 A 108 THR N N 15 111.59 0.03 A 109 SER H H 1 7.58 0.00 A 109 SER HA H 1 4.64 0.01 A 109 SER HBx H 1 3.68 0.02 A 109 SER HBy H 1 3.68 0.02 A 109 SER C C 13 172.75 0.00 A 109 SER CA C 13 56.65 0.01 A 109 SER CB C 13 65.44 0.06 A 109 SER N N 15 114.39 0.02 A 110 GLU H H 1 8.40 0.00 A 110 GLU HA H 1 4.18 0.03 A 110 GLU HBx H 1 1.67 0.00 A 110 GLU HBy H 1 1.78 0.01 A 110 GLU HGx H 1 2.13 0.00 A 110 GLU HGy H 1 2.24 0.01 A 110 GLU C C 13 175.64 0.00 A 110 GLU CA C 13 56.31 0.02 A 110 GLU CB C 13 30.73 0.10 A 110 GLU CG C 13 36.76 0.03 A 110 GLU N N 15 119.35 0.03 A 111 PHE H H 1 8.58 0.01 A 111 PHE HA H 1 4.63 0.04 A 111 PHE HBx H 1 3.03 0.01 A 111 PHE HBy H 1 3.35 0.02 A 111 PHE HDx H 1 7.48 0.03 A 111 PHE HDy H 1 7.48 0.03 A 111 PHE HEx H 1 7.23 0.02 A 111 PHE HEy H 1 7.23 0.02 A 111 PHE HZ H 1 7.18 0.01 A 111 PHE C C 13 174.37 0.00 A 111 PHE CA C 13 56.55 0.02 A 111 PHE CB C 13 44.11 0.05 A 111 PHE CDx C 13 133.08 0.04 A 111 PHE CEx C 13 131.41 0.09 A 111 PHE CZ C 13 129.73 0.02 A 111 PHE N N 15 121.25 0.04 A 112 TYR H H 1 9.71 0.02 A 112 TYR HA H 1 4.94 0.01 A 112 TYR HBx H 1 3.03 0.01 A 112 TYR HBy H 1 3.61 0.01 A 112 TYR HDx H 1 7.43 0.02 A 112 TYR HDy H 1 7.43 0.02 A 112 TYR HEx H 1 6.96 0.02 A 112 TYR HEy H 1 6.96 0.02 A 112 TYR C C 13 175.02 0.00 A 112 TYR CA C 13 58.30 0.01 A 112 TYR CB C 13 38.12 0.10 A 112 TYR CDx C 13 133.33 0.05 A 112 TYR CEx C 13 118.70 0.06 A 112 TYR N N 15 119.47 0.01 A 113 LEU H H 1 9.31 0.01 A 113 LEU HA H 1 5.42 0.02 A 113 LEU HBx H 1 1.26 0.00 A 113 LEU HBy H 1 2.00 0.00 A 113 LEU HD1% H 1 0.75 0.01 A 113 LEU HD2% H 1 0.99 0.00 A 113 LEU HG H 1 0.97 0.01 A 113 LEU C C 13 178.10 0.00 A 113 LEU CA C 13 53.87 0.03 A 113 LEU CB C 13 43.72 0.05 A 113 LEU CDy C 13 24.23 0.00 A 113 LEU CDx C 13 24.00 0.01 A 113 LEU CG C 13 27.57 0.00 A 113 LEU N N 15 126.06 0.03 A 114 SER H H 1 9.49 0.00 A 114 SER HA H 1 5.21 0.01 A 114 SER HBx H 1 3.73 0.02 A 114 SER HBy H 1 3.93 0.01 A 114 SER HG H 1 6.06 0.00 A 114 SER C C 13 171.71 0.00 A 114 SER CA C 13 58.03 0.05 A 114 SER CB C 13 66.30 0.04 A 114 SER N N 15 121.01 0.01 A 115 ASP H H 1 9.43 0.00 A 115 ASP HA H 1 5.56 0.01 A 115 ASP HBx H 1 2.51 0.01 A 115 ASP HBy H 1 2.62 0.01 A 115 ASP C C 13 176.00 0.00 A 115 ASP CA C 13 53.24 0.03 A 115 ASP CB C 13 43.86 0.03 A 115 ASP N N 15 125.80 0.01 A 116 CYS H H 1 8.47 0.00 A 116 CYS HA H 1 5.30 0.01 A 116 CYS HBx H 1 2.46 0.00 A 116 CYS HBy H 1 2.70 0.01 A 116 CYS C C 13 173.40 0.00 A 116 CYS CA C 13 53.43 0.03 A 116 CYS CB C 13 39.54 0.02 A 116 CYS N N 15 118.90 0.01 A 117 ASN H H 1 8.71 0.00 A 117 ASN HA H 1 5.63 0.00 A 117 ASN HBx H 1 2.74 0.00 A 117 ASN HBy H 1 2.88 0.00 A 117 ASN HD2x H 1 7.06 0.00 A 117 ASN HD2y H 1 7.43 0.00 A 117 ASN C C 13 174.69 0.00 A 117 ASN CA C 13 52.12 0.05 A 117 ASN CB C 13 41.95 0.05 A 117 ASN N N 15 121.96 0.02 A 117 ASN ND2 N 15 111.22 0.02 A 118 VAL H H 1 8.95 0.00 A 118 VAL HA H 1 3.66 0.01 A 118 VAL HB H 1 2.07 0.01 A 118 VAL HGx% H 1 0.77 0.02 A 118 VAL HGy% H 1 0.88 0.02 A 118 VAL C C 13 174.89 0.00 A 118 VAL CA C 13 62.65 0.05 A 118 VAL CB C 13 31.94 0.08 A 118 VAL CGy C 13 21.61 0.04 A 118 VAL CGx C 13 20.42 0.05 A 118 VAL N N 15 127.57 0.02 A 119 THR H H 1 8.36 0.01 A 119 THR HA H 1 4.47 0.01 A 119 THR HB H 1 4.03 0.02 A 119 THR HG2% H 1 1.01 0.00 A 119 THR C C 13 173.09 0.00 A 119 THR CA C 13 60.94 0.05 A 119 THR CB C 13 70.37 0.03 A 119 THR CG2 C 13 20.68 0.00 A 119 THR N N 15 119.59 0.03 A 120 SER H H 1 7.75 0.00 A 120 SER HA H 1 4.26 0.01 A 120 SER HBx H 1 3.83 0.00 A 120 SER HBy H 1 3.83 0.00 A 120 SER CA C 13 59.94 0.01 A 120 SER CB C 13 64.99 0.05 A 120 SER N N 15 122.94 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 14 PHE HD% A 14 PHE HZ 1.0 . 3.86 2 2 A 86 TYR H A 86 TYR HD% 1.0 . 4.28 3 3 A 14 PHE HE% A 111 PHE HD% 1.0 . 3.60 4 4 A 86 TYR HD% A 112 TYR H 1.0 . 4.67 5 5 A 86 TYR HA A 86 TYR HE% 1.0 . 4.58 6 6 A 86 TYR HD% A 86 TYR HA 1.0 . 3.18 7 7 A 84 PHE HA A 84 PHE HD% 1.0 . 4.27 8 8 A 17 THR H A 25 HIS H 1.0 . 3.48 9 9 A 112 TYR HA A 112 TYR HD% 1.0 . 3.37 10 10 A 51 TRP HBx A 51 TRP HD1 1.0 . 3.82 11 11 A 51 TRP HD1 A 51 TRP HBy 1.0 . 3.15 12 12 A 40 PHE H A 40 PHE HD% 1.0 . 4.49 13 13 A 76 PHE HA A 76 PHE HD% 1.0 . 3.73 14 14 A 5 TYR H A 5 TYR HBy 1.0 . 4.17 15 15 A 5 TYR HA A 6 LYS H 1.0 . 2.93 16 16 A 5 TYR H A 6 LYS H 1.0 . 4.56 17 17 A 84 PHE H A 114 SER H 1.0 . 3.89 18 18 A 4 LYS HA A 5 TYR HD% 1.0 . 4.53 19 19 A 5 TYR HA A 5 TYR HD% 1.0 . 5.00 20 20 A 42 GLU H A 42 GLU HGx 1.0 . 3.94 21 20 A 42 GLU H A 42 GLU HGy 1.0 . 3.94 22 21 A 43 THR H A 42 GLU HGx 1.0 . 4.21 23 21 A 42 GLU HGy A 43 THR H 1.0 . 4.21 24 22 A 3 CYS H A 2 PRO HBy 1.0 . 3.96 25 23 A 21 GLN HGy A 99 ILE H 1.0 . 4.73 26 24 A 21 GLN HGy A 98 GLY H 1.0 . 4.38 27 25 A 64 ASP H A 64 ASP HBx 1.0 . 3.33 28 26 A 15 CYS HBx A 32 CYS H 1.0 . 4.52 29 27 A 24 VAL HB A 49 SER H 1.0 . 5.50 30 28 A 24 VAL HB A 24 VAL H 1.0 . 4.02 31 29 A 42 GLU H A 42 GLU HBy 1.0 . 3.72 32 30 A 43 THR H A 42 GLU HBy 1.0 . 3.93 33 31 A 21 GLN H A 21 GLN HGx 1.0 . 4.94 34 32 A 118 VAL HB A 119 THR H 1.0 . 4.12 35 33 A 99 ILE H A 21 GLN HGx 1.0 . 4.02 36 34 A 21 GLN HGx A 21 GLN HE2x 1.0 . 3.19 37 35 A 114 SER H A 113 LEU HBx 1.0 . 4.47 38 36 A 113 LEU HBx A 10 SER H 1.0 . 4.47 39 37 A 81 LYS HBy A 118 VAL H 1.0 . 4.76 40 38 A 13 LYS HBx A 107 THR H 1.0 . 4.43 41 39 A 81 LYS HBy A 82 ASN H 1.0 . 4.15 42 40 A 8 LYS HBy A 115 ASP H 1.0 . 5.04 43 41 A 90 GLU H A 88 ARG HGx 1.0 . 5.29 44 41 A 88 ARG HGy A 90 GLU H 1.0 . 5.29 45 42 A 13 LYS HBx A 13 LYS H 1.0 . 3.73 46 43 A 24 VAL H A 19 GLU HBx 1.0 . 4.99 47 44 A 56 LYS HBx A 57 LYS H 1.0 . 3.50 48 45 A 6 LYS H A 6 LYS HB2 1.0 . 3.68 49 45 A 6 LYS H A 6 LYS HB3 1.0 . 3.68 50 46 A 14 PHE H A 106 LEU HG 1.0 . 4.60 51 47 A 8 LYS H A 8 LYS HBx 1.0 . 3.39 52 48 A 107 THR H A 106 LEU HG 1.0 . 2.98 53 49 A 59 ILE H A 58 HIS HBx 1.0 . 4.78 54 50 A 105 VAL H A 105 VAL HB 1.0 . 3.38 55 51 A 18 CYS H A 99 ILE HB 1.0 . 5.50 56 52 A 21 GLN H A 99 ILE HB 1.0 . 3.99 57 53 A 12 ASN H A 110 GLU HBx 1.0 . 5.50 58 54 A 110 GLU HBx A 111 PHE H 1.0 . 4.31 59 55 A 40 PHE H A 39 ILE HB 1.0 . 3.93 60 56 A 39 ILE HB A 41 LEU H 1.0 . 4.79 61 57 A 119 THR H A 4 LYS HBy 1.0 . 4.99 62 58 A 119 THR H A 6 LYS HD2 1.0 . 5.28 63 58 A 119 THR H A 6 LYS HD3 1.0 . 5.28 64 59 A 12 ASN H A 110 GLU HBy 1.0 . 3.90 65 60 A 21 GLN H A 21 GLN HBx 1.0 . 3.95 66 61 A 58 HIS H A 59 ILE HG1y 1.0 . 3.63 67 62 A 93 LYS HBx A 94 ALA H 1.0 . 3.58 68 63 A 108 THR H A 13 LYS HD2 1.0 . 4.29 69 63 A 13 LYS HD3 A 108 THR H 1.0 . 4.29 70 64 A 23 PRO HGx A 51 TRP HZ3 1.0 . 4.26 71 65 A 57 LYS H A 56 LYS HDx 1.0 . 4.80 72 65 A 57 LYS H A 56 LYS HDy 1.0 . 4.80 73 66 A 70 ILE HB A 71 MET H 1.0 . 4.41 74 67 A 51 TRP HE1 A 93 LYS HBy 1.0 . 5.50 75 68 A 9 LYS H A 8 LYS HD2 1.0 . 3.14 76 68 A 8 LYS HD3 A 9 LYS H 1.0 . 3.14 77 69 A 13 LYS HBy A 30 GLY H 1.0 . 5.50 78 70 A 7 LEU H A 6 LYS HG2 1.0 . 4.00 79 70 A 6 LYS HG3 A 7 LEU H 1.0 . 4.00 80 71 A 21 GLN H A 100 ILE HG1x 1.0 . 4.87 81 72 A 58 HIS H A 57 LYS HGx 1.0 . 4.99 82 72 A 58 HIS H A 57 LYS HGy 1.0 . 4.99 83 73 A 21 GLN HE2x A 100 ILE HG1x 1.0 . 2.66 84 74 A 70 ILE H A 70 ILE HG1y 1.0 . 4.14 85 75 A 116 CYS H A 81 LYS HGx 1.0 . 5.50 86 75 A 81 LYS HGy A 116 CYS H 1.0 . 5.50 87 76 A 59 ILE HG1x A 85 ILE H 1.0 . 4.78 88 77 A 10 SER H A 9 LYS HG2 1.0 . 4.75 89 77 A 10 SER H A 9 LYS HG3 1.0 . 4.75 90 78 A 41 LEU H A 41 LEU HG 1.0 . 4.75 91 79 A 115 ASP H A 113 LEU HBy 1.0 . 5.04 92 80 A 92 VAL HG1% A 93 LYS H 1.0 . 3.65 93 81 A 51 TRP HZ3 A 92 VAL HG1% 1.0 . 3.37 94 82 A 50 ASP H A 53 THR HG2% 1.0 . 4.74 95 83 A 94 ALA H A 95 ILE HG1y 1.0 . 5.18 96 84 A 114 SER H A 113 LEU HBy 1.0 . 3.67 97 85 A 10 SER H A 113 LEU HBy 1.0 . 4.93 98 86 A 39 ILE H A 39 ILE HG1y 1.0 . 3.86 99 87 A 113 LEU HBy A 12 ASN HD2x 1.0 . 5.43 100 88 A 88 ARG H A 92 VAL HG2% 1.0 . 4.26 101 89 A 15 CYS H A 27 VAL HB 1.0 . 4.72 102 90 A 77 HIS H A 75 LEU HBy 1.0 . 5.16 103 91 A 27 VAL HB A 16 VAL H 1.0 . 4.59 104 92 A 21 GLN HE2x A 100 ILE HG1y 1.0 . 3.80 105 93 A 15 CYS H A 16 VAL HG1% 1.0 . 4.31 106 94 A 8 LYS H A 7 LEU HDy% 1.0 . 4.22 107 95 A 64 ASP H A 60 THR HG2% 1.0 . 4.77 108 96 A 64 ASP H A 63 ARG HGx 1.0 . 5.31 109 97 A 24 VAL H A 17 THR HG2% 1.0 . 5.29 110 98 A 16 VAL HG1% A 27 VAL H 1.0 . 4.06 111 99 A 59 ILE H A 59 ILE HG2% 1.0 . 4.01 112 100 A 51 TRP HZ3 A 59 ILE HG2% 1.0 . 5.41 113 101 A 40 PHE H A 39 ILE HG1x 1.0 . 5.12 114 102 A 14 PHE H A 13 LYS HG2 1.0 . 4.36 115 102 A 14 PHE H A 13 LYS HG3 1.0 . 4.36 116 103 A 119 THR HG2% A 120 SER H 1.0 . 4.33 117 104 A 8 LYS H A 7 LEU HDx% 1.0 . 4.22 118 105 A 30 GLY H A 13 LYS HG2 1.0 . 3.81 119 105 A 30 GLY H A 13 LYS HG3 1.0 . 3.81 120 106 A 24 VAL HG1% A 52 LEU H 1.0 . 5.27 121 107 A 64 ASP H A 63 ARG HBy 1.0 . 5.29 122 108 A 112 TYR H A 11 THR HG2% 1.0 . 4.85 123 109 A 114 SER H A 113 LEU HD2% 1.0 . 4.73 124 110 A 99 ILE H A 99 ILE HG1x 1.0 . 3.58 125 111 A 21 GLN HE2x A 100 ILE HG2% 1.0 . 3.98 126 112 A 21 GLN H A 100 ILE HG2% 1.0 . 5.07 127 113 A 100 ILE HG2% A 100 ILE H 1.0 . 4.01 128 114 A 12 ASN HD2x A 113 LEU HG 1.0 . 4.48 129 115 A 19 GLU H A 22 ALA HB% 1.0 . 4.30 130 116 A 54 PHE H A 45 LEU HDx% 1.0 . 4.98 131 116 A 45 LEU HDy% A 54 PHE H 1.0 . 4.98 132 117 A 50 ASP H A 45 LEU HDx% 1.0 . 4.40 133 117 A 50 ASP H A 45 LEU HDy% 1.0 . 4.40 134 118 A 112 TYR H A 85 ILE HG2% 1.0 . 5.04 135 119 A 118 VAL H A 118 VAL HGy% 1.0 . 3.90 136 120 A 111 PHE H A 85 ILE HG2% 1.0 . 5.50 137 121 A 88 ARG H A 85 ILE HG2% 1.0 . 5.41 138 122 A 85 ILE H A 85 ILE HG2% 1.0 . 4.01 139 123 A 61 ASN H A 62 THR HG2% 1.0 . 3.58 140 124 A 27 VAL H A 27 VAL HG2% 1.0 . 3.80 141 125 A 83 THR H A 83 THR HG2% 1.0 . 4.16 142 126 A 93 LYS H A 95 ILE HD1% 1.0 . 4.72 143 127 A 40 PHE H A 39 ILE HG2% 1.0 . 3.32 144 128 A 20 ASN H A 99 ILE HG2% 1.0 . 4.24 145 129 A 18 CYS H A 99 ILE HG2% 1.0 . 4.05 146 130 A 118 VAL H A 118 VAL HGx% 1.0 . 3.90 147 131 A 99 ILE HG2% A 103 LYS H 1.0 . 3.31 148 132 A 99 ILE HG2% A 101 ALA H 1.0 . 3.38 149 133 A 114 SER H A 113 LEU HD1% 1.0 . 4.73 150 134 A 24 VAL HG2% A 51 TRP H 1.0 . 4.87 151 135 A 27 VAL H A 27 VAL HG1% 1.0 . 3.98 152 136 A 68 ASP H A 70 ILE HG2% 1.0 . 3.71 153 137 A 70 ILE H A 70 ILE HG2% 1.0 . 4.61 154 138 A 71 MET H A 70 ILE HG2% 1.0 . 4.07 155 139 A 66 ASP H A 70 ILE HD1% 1.0 . 5.10 156 140 A 70 ILE HD1% A 67 CYS H 1.0 . 4.34 157 141 A 13 LYS H A 106 LEU HD1% 1.0 . 4.86 158 142 A 32 CYS H A 106 LEU HD1% 1.0 . 4.29 159 143 A 15 CYS H A 106 LEU HD1% 1.0 . 4.24 160 144 A 106 LEU HD1% A 106 LEU H 1.0 . 4.17 161 145 A 67 CYS H A 65 VAL HG2% 1.0 . 4.48 162 146 A 85 ILE H A 85 ILE HD1% 1.0 . 4.03 163 147 A 94 ALA H A 93 LYS HGy 1.0 . 5.29 164 148 A 76 PHE HA A 78 CYS H 1.0 . 4.44 165 149 A 111 PHE H A 13 LYS HA 1.0 . 4.35 166 150 A 14 PHE H A 13 LYS HA 1.0 . 2.98 167 151 A 34 SER HA A 35 GLY H 1.0 . 3.08 168 152 A 44 SER HA A 45 LEU H 1.0 . 3.21 169 153 A 50 ASP H A 49 SER HA 1.0 . 3.56 170 154 A 21 GLN HE2x A 20 ASN HA 1.0 . 3.27 171 155 A 77 HIS HA A 77 HIS HE1 1.0 . 4.87 172 156 A 78 CYS H A 77 HIS HA 1.0 . 3.30 173 157 A 93 LYS H A 90 GLU HA 1.0 . 3.93 174 158 A 94 ALA H A 90 GLU HA 1.0 . 3.71 175 159 A 118 VAL H A 80 ASP HA 1.0 . 4.13 176 160 A 21 GLN H A 19 GLU HA 1.0 . 4.16 177 161 A 19 GLU HA A 102 SER H 1.0 . 4.48 178 162 A 41 LEU H A 39 ILE HA 1.0 . 4.39 179 163 A 49 SER H A 48 GLY HAy 1.0 . 3.50 180 164 A 20 ASN H A 21 GLN HA 1.0 . 5.21 181 165 A 98 GLY H A 21 GLN HA 1.0 . 4.50 182 166 A 101 ALA H A 99 ILE HA 1.0 . 3.52 183 167 A 37 SER H A 36 GLY HAx 1.0 . 2.85 184 167 A 36 GLY HAy A 37 SER H 1.0 . 2.85 185 168 A 49 SER H A 48 GLY HAx 1.0 . 3.50 186 169 A 62 THR H A 62 THR HB 1.0 . 3.83 187 170 A 113 LEU H A 10 SER HB2 1.0 . 5.13 188 170 A 10 SER HB3 A 113 LEU H 1.0 . 5.13 189 171 A 43 THR H A 44 SER HBx 1.0 . 4.99 190 171 A 43 THR H A 44 SER HBy 1.0 . 4.99 191 172 A 99 ILE H A 97 LYS HA 1.0 . 3.97 192 173 A 34 SER H A 34 SER HBx 1.0 . 3.24 193 174 A 21 GLN H A 100 ILE HA 1.0 . 3.98 194 175 A 24 VAL H A 17 THR HB 1.0 . 4.37 195 176 A 62 THR H A 60 THR HB 1.0 . 4.22 196 177 A 54 PHE H A 53 THR HB 1.0 . 4.37 197 178 A 90 GLU H A 91 PRO HDy 1.0 . 3.26 198 179 A 3 CYS H A 3 CYS HBy 1.0 . 3.95 199 180 A 37 SER H A 37 SER HBx 1.0 . 3.88 200 181 A 54 PHE HBy A 55 GLN H 1.0 . 3.96 201 182 A 70 ILE H A 2 PRO HDx 1.0 . 4.50 202 183 A 5 TYR H A 118 VAL HA 1.0 . 4.88 203 184 A 102 SER H A 102 SER HBx 1.0 . 2.96 204 184 A 102 SER H A 102 SER HBy 1.0 . 2.96 205 185 A 51 TRP HZ3 A 55 GLN HA 1.0 . 4.75 206 186 A 57 LYS H A 55 GLN HA 1.0 . 4.90 207 187 A 80 ASP H A 79 LYS HEx 1.0 . 5.20 208 187 A 79 LYS HEy A 80 ASP H 1.0 . 5.20 209 188 A 112 TYR H A 86 TYR HBy 1.0 . 4.79 210 189 A 30 GLY H A 14 PHE HBy 1.0 . 4.80 211 190 A 68 ASP H A 67 CYS HBy 1.0 . 5.25 212 191 A 14 PHE H A 14 PHE HBy 1.0 . 3.86 213 192 A 41 LEU H A 40 PHE HBy 1.0 . 4.68 214 193 A 21 GLN H A 20 ASN HBy 1.0 . 4.63 215 194 A 112 TYR H A 111 PHE HBx 1.0 . 3.58 216 195 A 112 TYR H A 112 TYR HBy 1.0 . 3.89 217 196 A 17 THR H A 25 HIS HBx 1.0 . 4.08 218 197 A 15 CYS H A 14 PHE HBx 1.0 . 3.48 219 198 A 104 ASN H A 103 LYS HEx 1.0 . 5.50 220 198 A 103 LYS HEy A 104 ASN H 1.0 . 5.50 221 199 A 70 ILE H A 66 ASP HBy 1.0 . 5.50 222 200 A 66 ASP H A 66 ASP HBy 1.0 . 3.15 223 201 A 118 VAL H A 117 ASN HBy 1.0 . 3.92 224 202 A 68 ASP H A 66 ASP HBy 1.0 . 4.80 225 203 A 117 ASN HBy A 117 ASN H 1.0 . 3.92 226 204 A 61 ASN H A 61 ASN HBx 1.0 . 3.50 227 205 A 103 LYS H A 18 CYS HBy 1.0 . 4.61 228 206 A 118 VAL H A 117 ASN HBx 1.0 . 4.55 229 207 A 16 VAL H A 104 ASN HBx 1.0 . 5.28 230 208 A 6 LYS H A 117 ASN HBx 1.0 . 4.38 231 209 A 13 LYS H A 12 ASN HBy 1.0 . 3.89 232 210 A 6 LYS H A 5 TYR HBx 1.0 . 3.85 233 211 A 62 THR H A 86 TYR HBx 1.0 . 5.50 234 212 A 68 ASP H A 68 ASP HBx 1.0 . 3.87 235 213 A 58 HIS H A 58 HIS HBy 1.0 . 4.03 236 214 A 116 CYS H A 116 CYS HBx 1.0 . 3.65 237 215 A 90 GLU H A 88 ARG HBy 1.0 . 3.67 238 216 A 24 VAL H A 25 HIS HA 1.0 . 5.12 239 217 A 12 ASN HD2x A 113 LEU HA 1.0 . 5.50 240 218 A 115 ASP H A 113 LEU HA 1.0 . 5.50 241 219 A 9 LYS H A 7 LEU HA 1.0 . 5.50 242 220 A 6 LYS H A 116 CYS HA 1.0 . 4.78 243 221 A 8 LYS H A 116 CYS HA 1.0 . 4.34 244 222 A 84 PHE H A 114 SER HA 1.0 . 4.91 245 223 A 103 LYS H A 18 CYS HA 1.0 . 4.93 246 224 A 62 THR H A 60 THR HA 1.0 . 4.03 247 225 A 20 ASN H A 102 SER HA 1.0 . 4.84 248 226 A 15 CYS H A 14 PHE HA 1.0 . 3.14 249 227 A 71 MET H A 72 SER HA 1.0 . 5.50 250 228 A 99 ILE H A 96 CYS HA 1.0 . 5.43 251 229 A 51 TRP HE1 A 55 GLN HE2x 1.0 . 4.06 252 230 A 41 LEU H A 40 PHE HA 1.0 . 3.47 253 231 A 76 PHE HA A 77 HIS H 1.0 . 3.55 254 232 A 105 VAL H A 105 VAL HG1% 1.0 . 4.07 255 233 A 113 LEU H A 112 TYR HBy 1.0 . 4.28 256 234 A 84 PHE HD% A 84 PHE H 1.0 . 3.45 257 235 A 112 TYR HD% A 113 LEU H 1.0 . 4.46 258 236 A 105 VAL H A 104 ASN H 1.0 . 4.35 259 237 A 112 TYR H A 111 PHE H 1.0 . 4.67 260 238 A 111 PHE H A 113 LEU H 1.0 . 5.50 261 239 A 90 GLU H A 88 ARG H 1.0 . 5.16 262 240 A 90 GLU H A 93 LYS H 1.0 . 5.50 263 241 A 115 ASP H A 116 CYS H 1.0 . 5.50 264 242 A 86 TYR H A 114 SER H 1.0 . 5.29 265 243 A 104 ASN H A 103 LYS HBx 1.0 . 4.24 266 244 A 9 LYS H A 8 LYS HE2 1.0 . 5.01 267 244 A 9 LYS H A 8 LYS HE3 1.0 . 5.01 268 245 A 15 CYS H A 15 CYS HBy 1.0 . 3.52 269 246 A 16 VAL H A 106 LEU HA 1.0 . 4.01 270 247 A 117 ASN H A 7 LEU HA 1.0 . 5.50 271 248 A 66 ASP H A 69 ASN H 1.0 . 4.97 272 249 A 76 PHE HD% A 77 HIS H 1.0 . 4.93 273 250 A 77 HIS H A 79 LYS HZ% 1.0 . 5.47 274 251 A 68 ASP H A 69 ASN HD2y 1.0 . 5.50 275 252 A 14 PHE HD% A 107 THR H 1.0 . 4.79 276 253 A 66 ASP H A 69 ASN HD2y 1.0 . 5.50 277 254 A 78 CYS H A 76 PHE H 1.0 . 4.88 278 255 A 77 HIS H A 76 PHE H 1.0 . 2.79 279 256 A 17 THR H A 104 ASN HD2x 1.0 . 4.47 280 257 A 80 ASP H A 79 LYS H 1.0 . 4.67 281 258 A 32 CYS H A 33 GLY H 1.0 . 4.27 282 259 A 12 ASN H A 111 PHE H 1.0 . 3.23 283 260 A 30 GLY H A 15 CYS H 1.0 . 4.11 284 261 A 10 SER H A 9 LYS H 1.0 . 4.63 285 262 A 77 HIS H A 78 CYS H 1.0 . 3.66 286 263 A 12 ASN H A 113 LEU H 1.0 . 4.20 287 264 A 18 CYS H A 19 GLU H 1.0 . 4.54 288 265 A 17 THR H A 18 CYS H 1.0 . 4.70 289 266 A 24 VAL H A 19 GLU H 1.0 . 4.38 290 267 A 86 TYR H A 85 ILE H 1.0 . 4.47 291 268 A 67 CYS H A 65 VAL HB 1.0 . 4.72 292 269 A 43 THR H A 42 GLU HBx 1.0 . 3.93 293 270 A 27 VAL H A 26 PHE HD% 1.0 . 3.67 294 271 A 14 PHE HD% A 14 PHE H 1.0 . 3.65 295 272 A 51 TRP HZ3 A 54 PHE HD% 1.0 . 3.86 296 273 A 109 SER H A 110 GLU H 1.0 . 4.64 297 274 A 82 ASN H A 81 LYS H 1.0 . 4.49 298 275 A 58 HIS H A 58 HIS HE1 1.0 . 5.50 299 276 A 42 GLU H A 41 LEU H 1.0 . 3.26 300 277 A 43 THR H A 44 SER H 1.0 . 3.60 301 278 A 40 PHE H A 41 LEU H 1.0 . 3.84 302 279 A 57 LYS H A 58 HIS H 1.0 . 3.28 303 280 A 14 PHE H A 108 THR H 1.0 . 5.50 304 281 A 57 LYS H A 59 ILE H 1.0 . 4.36 305 282 A 119 THR H A 118 VAL H 1.0 . 4.70 306 283 A 13 LYS H A 14 PHE H 1.0 . 4.76 307 284 A 21 GLN HE2x A 20 ASN H 1.0 . 5.12 308 285 A 14 PHE HD% A 16 VAL HG2% 1.0 . 3.14 309 286 A 16 VAL HG2% A 104 ASN HD2y 1.0 . 3.41 310 287 A 104 ASN HD2x A 16 VAL HG2% 1.0 . 4.08 311 288 A 70 ILE HG2% A 69 ASN H 1.0 . 3.28 312 289 A 70 ILE HG2% A 79 LYS HZ% 1.0 . 4.29 313 290 A 79 LYS HZ% A 75 LEU HG 1.0 . 4.52 314 291 A 75 LEU HG A 84 PHE HE% 1.0 . 4.36 315 292 A 25 HIS H A 24 VAL HG2% 1.0 . 3.67 316 293 A 95 ILE HG2% A 96 CYS H 1.0 . 3.73 317 294 A 54 PHE HD% A 23 PRO HBx 1.0 . 4.93 318 295 A 70 ILE HD1% A 79 LYS HZ% 1.0 . 3.62 319 296 A 70 ILE HD1% A 84 PHE HE% 1.0 . 4.59 320 297 A 70 ILE HD1% A 79 LYS H 1.0 . 5.15 321 298 A 95 ILE H A 107 THR HG2% 1.0 . 5.50 322 299 A 75 LEU H A 75 LEU HDx% 1.0 . 3.79 323 300 A 107 THR HG2% A 111 PHE HZ 1.0 . 3.42 324 301 A 84 PHE HE% A 65 VAL HG2% 1.0 . 4.52 325 302 A 85 ILE HD1% A 54 PHE HD% 1.0 . 5.50 326 303 A 14 PHE HD% A 85 ILE HD1% 1.0 . 4.09 327 304 A 84 PHE HE% A 65 VAL HG1% 1.0 . 4.52 328 305 A 93 LYS HGy A 93 LYS HZ% 1.0 . 4.81 329 306 A 12 ASN HD2y A 29 VAL HGy% 1.0 . 4.74 330 307 A 104 ASN HD2y A 23 PRO HBy 1.0 . 3.19 331 308 A 111 PHE HD% A 92 VAL HG2% 1.0 . 4.92 332 309 A 25 HIS H A 23 PRO HBy 1.0 . 4.69 333 310 A 69 ASN H A 70 ILE HG1x 1.0 . 4.81 334 311 A 54 PHE HD% A 59 ILE HD1% 1.0 . 3.71 335 312 A 59 ILE HD1% A 54 PHE HZ 1.0 . 3.19 336 313 A 12 ASN HD2y A 29 VAL HGx% 1.0 . 4.74 337 314 A 59 ILE HD1% A 54 PHE HE% 1.0 . 3.85 338 315 A 14 PHE HD% A 16 VAL HG1% 1.0 . 3.06 339 316 A 31 SER H A 13 LYS HG2 1.0 . 4.68 340 316 A 13 LYS HG3 A 31 SER H 1.0 . 4.68 341 317 A 119 THR HG2% A 4 LYS H 1.0 . 5.37 342 318 A 24 VAL HG1% A 54 PHE HD% 1.0 . 5.50 343 319 A 11 THR HG2% A 112 TYR HE% 1.0 . 4.32 344 320 A 84 PHE HD% A 63 ARG HGy 1.0 . 4.67 345 321 A 22 ALA HB% A 22 ALA H 1.0 . 2.98 346 322 A 51 TRP HD1 A 22 ALA HB% 1.0 . 3.92 347 323 A 31 SER H A 106 LEU HD2% 1.0 . 3.79 348 324 A 111 PHE HD% A 85 ILE HG2% 1.0 . 4.11 349 325 A 85 ILE HG2% A 54 PHE HE% 1.0 . 5.25 350 326 A 95 ILE HD1% A 111 PHE HZ 1.0 . 4.81 351 327 A 95 ILE HD1% A 96 CYS H 1.0 . 5.19 352 328 A 56 LYS H A 56 LYS HDx 1.0 . 3.10 353 328 A 56 LYS HDy A 56 LYS H 1.0 . 3.10 354 329 A 70 ILE HB A 79 LYS HZ% 1.0 . 4.27 355 330 A 93 LYS HBy A 92 VAL H 1.0 . 5.50 356 331 A 93 LYS HBy A 93 LYS HZ% 1.0 . 3.55 357 332 A 92 VAL H A 94 ALA HB% 1.0 . 5.07 358 333 A 13 LYS HBy A 109 SER H 1.0 . 4.84 359 334 A 70 ILE HG1y A 79 LYS HZ% 1.0 . 3.70 360 335 A 117 ASN HD2x A 8 LYS HG2 1.0 . 4.58 361 335 A 8 LYS HG3 A 117 ASN HD2x 1.0 . 4.58 362 336 A 109 SER H A 108 THR HG2% 1.0 . 4.01 363 337 A 56 LYS H A 55 GLN HGx 1.0 . 4.34 364 337 A 56 LYS H A 55 GLN HGy 1.0 . 4.34 365 338 A 97 LYS H A 99 ILE HG1y 1.0 . 4.86 366 339 A 51 TRP HE3 A 55 GLN HGx 1.0 . 3.61 367 339 A 55 GLN HGy A 51 TRP HE3 1.0 . 3.61 368 340 A 95 ILE HG1y A 96 CYS H 1.0 . 4.44 369 341 A 54 PHE HD% A 55 GLN HGx 1.0 . 3.43 370 341 A 54 PHE HD% A 55 GLN HGy 1.0 . 3.43 371 342 A 51 TRP HH2 A 55 GLN HGx 1.0 . 3.63 372 342 A 55 GLN HGy A 51 TRP HH2 1.0 . 3.63 373 343 A 92 VAL HG1% A 51 TRP HH2 1.0 . 3.93 374 344 A 111 PHE HD% A 13 LYS HBx 1.0 . 5.50 375 345 A 111 PHE HD% A 91 PRO HBx 1.0 . 5.50 376 346 A 95 ILE H A 95 ILE HG1x 1.0 . 3.46 377 347 A 79 LYS HZ% A 82 ASN HBx 1.0 . 4.74 378 348 A 21 GLN HBx A 21 GLN HE2y 1.0 . 4.25 379 349 A 93 LYS HBx A 51 TRP HZ2 1.0 . 4.65 380 350 A 23 PRO HGx A 51 TRP HE3 1.0 . 4.07 381 351 A 93 LYS HBx A 92 VAL H 1.0 . 4.38 382 352 A 22 ALA H A 21 GLN HBy 1.0 . 4.50 383 353 A 104 ASN HD2y A 16 VAL HB 1.0 . 5.29 384 354 A 79 LYS HZ% A 82 ASN HBy 1.0 . 4.74 385 355 A 111 PHE HZ A 91 PRO HGx 1.0 . 4.93 386 356 A 51 TRP HH2 A 92 VAL HB 1.0 . 4.72 387 357 A 115 ASP HBx A 117 ASN HD2y 1.0 . 4.70 388 358 A 51 TRP HZ2 A 92 VAL HB 1.0 . 5.50 389 359 A 93 LYS HZ% A 92 VAL HB 1.0 . 5.50 390 360 A 117 ASN HD2x A 115 ASP HBx 1.0 . 4.70 391 361 A 117 ASN HD2y A 115 ASP HBy 1.0 . 4.51 392 362 A 117 ASN HD2x A 115 ASP HBy 1.0 . 4.51 393 363 A 91 PRO HBy A 111 PHE HE% 1.0 . 4.26 394 364 A 69 ASN HD2y A 66 ASP HBx 1.0 . 4.23 395 365 A 21 GLN HGy A 22 ALA H 1.0 . 4.92 396 366 A 61 ASN HD2y A 61 ASN HBx 1.0 . 4.09 397 367 A 81 LYS H A 80 ASP HBx 1.0 . 3.81 398 367 A 81 LYS H A 80 ASP HBy 1.0 . 3.81 399 368 A 96 CYS H A 93 LYS HA 1.0 . 4.70 400 369 A 66 ASP HBy A 69 ASN HD2y 1.0 . 3.96 401 370 A 69 ASN H A 68 ASP HBy 1.0 . 4.19 402 371 A 22 ALA H A 23 PRO HDx 1.0 . 4.61 403 372 A 86 TYR HD% A 112 TYR HBy 1.0 . 3.72 404 373 A 76 PHE H A 77 HIS HBx 1.0 . 4.62 405 373 A 76 PHE H A 77 HIS HBy 1.0 . 4.62 406 374 A 22 ALA H A 23 PRO HDy 1.0 . 4.85 407 375 A 81 LYS H A 79 LYS HEx 1.0 . 3.99 408 375 A 79 LYS HEy A 81 LYS H 1.0 . 3.99 409 376 A 14 PHE HD% A 111 PHE HBy 1.0 . 4.96 410 377 A 111 PHE HD% A 87 SER HBx 1.0 . 4.15 411 377 A 111 PHE HD% A 87 SER HBy 1.0 . 4.15 412 378 A 77 HIS HD2 A 77 HIS HBx 1.0 . 3.42 413 378 A 77 HIS HBy A 77 HIS HD2 1.0 . 3.42 414 379 A 79 LYS H A 77 HIS HBx 1.0 . 3.90 415 379 A 79 LYS H A 77 HIS HBy 1.0 . 3.90 416 380 A 25 HIS H A 54 PHE HBx 1.0 . 5.38 417 381 A 112 TYR HD% A 86 TYR HBy 1.0 . 5.50 418 382 A 104 ASN HD2x A 23 PRO HDy 1.0 . 4.78 419 383 A 96 CYS H A 94 ALA HA 1.0 . 3.67 420 384 A 25 HIS H A 17 THR HB 1.0 . 4.42 421 385 A 51 TRP HD1 A 52 LEU HA 1.0 . 4.71 422 386 A 84 PHE HD% A 114 SER HBy 1.0 . 4.69 423 387 A 91 PRO HDy A 92 VAL H 1.0 . 4.21 424 388 A 111 PHE HD% A 109 SER HBx 1.0 . 4.51 425 388 A 111 PHE HD% A 109 SER HBy 1.0 . 4.51 426 389 A 111 PHE HZ A 109 SER HBx 1.0 . 4.06 427 389 A 111 PHE HZ A 109 SER HBy 1.0 . 4.06 428 390 A 79 LYS HZ% A 82 ASN HD2x 1.0 . 5.14 429 391 A 86 TYR HD% A 112 TYR HBx 1.0 . 3.47 430 392 A 55 GLN HA A 54 PHE HD% 1.0 . 3.68 431 393 A 76 PHE HD% A 71 MET HA 1.0 . 4.49 432 394 A 71 MET HA A 73 THR H 1.0 . 4.79 433 395 A 90 GLU HA A 93 LYS HZ% 1.0 . 4.90 434 396 A 19 GLU HA A 22 ALA H 1.0 . 4.67 435 397 A 73 THR H A 72 SER HBx 1.0 . 5.08 436 398 A 56 LYS H A 54 PHE HA 1.0 . 5.43 437 399 A 56 LYS H A 57 LYS HA 1.0 . 5.50 438 400 A 109 SER H A 107 THR HA 1.0 . 4.46 439 401 A 111 PHE HZ A 107 THR HA 1.0 . 5.25 440 402 A 73 THR H A 70 ILE HA 1.0 . 4.21 441 403 A 70 ILE HA A 72 SER H 1.0 . 4.38 442 404 A 69 ASN H A 70 ILE HA 1.0 . 4.80 443 405 A 31 SER H A 29 VAL HA 1.0 . 4.51 444 406 A 77 HIS HA A 76 PHE H 1.0 . 5.08 445 407 A 76 PHE H A 71 MET HA 1.0 . 4.93 446 408 A 22 ALA H A 23 PRO HA 1.0 . 4.56 447 409 A 111 PHE HD% A 13 LYS HA 1.0 . 4.35 448 410 A 13 LYS HA A 111 PHE HZ 1.0 . 4.83 449 411 A 86 TYR HD% A 62 THR HA 1.0 . 4.30 450 412 A 111 PHE HE% A 91 PRO HA 1.0 . 5.33 451 413 A 96 CYS H A 22 ALA HA 1.0 . 5.50 452 414 A 81 LYS H A 79 LYS HA 1.0 . 4.72 453 415 A 56 LYS H A 53 THR HA 1.0 . 5.06 454 416 A 40 PHE HD% A 41 LEU HA 1.0 . 4.74 455 417 A 111 PHE HD% A 111 PHE HA 1.0 . 3.70 456 418 A 14 PHE HD% A 14 PHE HA 1.0 . 3.76 457 419 A 86 TYR HD% A 61 ASN HA 1.0 . 3.65 458 420 A 25 HIS H A 16 VAL HA 1.0 . 5.39 459 421 A 84 PHE HD% A 115 ASP HA 1.0 . 5.03 460 422 A 25 HIS HA A 54 PHE HD% 1.0 . 3.83 461 423 A 112 TYR HD% A 11 THR HA 1.0 . 5.50 462 424 A 25 HIS H A 51 TRP HA 1.0 . 5.50 463 425 A 51 TRP HD1 A 51 TRP HA 1.0 . 4.85 464 426 A 54 PHE HD% A 51 TRP HA 1.0 . 4.50 465 427 A 75 LEU H A 84 PHE HZ 1.0 . 5.50 466 428 A 54 PHE HD% A 58 HIS HD2 1.0 . 4.17 467 429 A 102 SER H A 20 ASN HD2x 1.0 . 5.18 468 430 A 71 MET H A 69 ASN H 1.0 . 4.40 469 431 A 93 LYS H A 51 TRP HZ2 1.0 . 5.28 470 432 A 93 LYS H A 93 LYS HZ% 1.0 . 5.49 471 433 A 3 CYS H A 4 LYS H 1.0 . 4.47 472 434 A 73 THR H A 74 ASN H 1.0 . 4.63 473 435 A 51 TRP HD1 A 51 TRP H 1.0 . 4.25 474 436 A 13 LYS H A 111 PHE HE% 1.0 . 4.97 475 437 A 32 CYS H A 31 SER H 1.0 . 4.69 476 438 A 84 PHE HZ A 65 VAL HG1% 1.0 . 5.17 477 439 A 14 PHE HE% A 107 THR HG2% 1.0 . 3.70 478 440 A 85 ILE HD1% A 26 PHE HE% 1.0 . 3.60 479 441 A 85 ILE HD1% A 26 PHE HD% 1.0 . 3.55 480 442 A 58 HIS HD2 A 57 LYS HBy 1.0 . 4.01 481 443 A 14 PHE HE% A 92 VAL HG2% 1.0 . 3.87 482 444 A 14 PHE HZ A 92 VAL HG2% 1.0 . 3.28 483 445 A 16 VAL HG1% A 26 PHE HE% 1.0 . 3.77 484 446 A 16 VAL HG1% A 26 PHE HD% 1.0 . 4.22 485 447 A 63 ARG HGx A 65 VAL H 1.0 . 2.98 486 448 A 63 ARG HGy A 65 VAL H 1.0 . 3.48 487 449 A 58 HIS HD2 A 57 LYS HBx 1.0 . 4.01 488 450 A 26 PHE HE% A 113 LEU HD2% 1.0 . 5.33 489 451 A 14 PHE HZ A 85 ILE HG2% 1.0 . 4.51 490 452 A 55 GLN HE2y A 52 LEU HD1% 1.0 . 4.63 491 453 A 14 PHE HE% A 85 ILE HG2% 1.0 . 3.47 492 454 A 83 THR HG2% A 26 PHE HE% 1.0 . 3.69 493 455 A 14 PHE HE% A 95 ILE HD1% 1.0 . 3.44 494 456 A 14 PHE HZ A 95 ILE HD1% 1.0 . 3.45 495 457 A 5 TYR HD% A 118 VAL HGx% 1.0 . 4.43 496 458 A 14 PHE HE% A 16 VAL HG2% 1.0 . 3.55 497 459 A 75 LEU HG A 84 PHE HZ 1.0 . 4.10 498 460 A 63 ARG HBx A 114 SER HG 1.0 . 4.53 499 461 A 65 VAL HB A 114 SER HG 1.0 . 4.96 500 462 A 63 ARG HGx A 114 SER HG 1.0 . 3.89 501 463 A 63 ARG HGy A 114 SER HG 1.0 . 3.47 502 464 A 14 PHE HE% A 92 VAL HG1% 1.0 . 4.35 503 465 A 5 TYR HD% A 81 LYS HBy 1.0 . 4.95 504 466 A 14 PHE HZ A 91 PRO HBx 1.0 . 4.13 505 467 A 55 GLN HE2y A 52 LEU HBx 1.0 . 5.33 506 468 A 55 GLN HE2y A 52 LEU HBy 1.0 . 5.43 507 469 A 58 HIS HD2 A 57 LYS HDx 1.0 . 5.17 508 469 A 58 HIS HD2 A 57 LYS HDy 1.0 . 5.17 509 470 A 5 TYR HD% A 118 VAL HB 1.0 . 4.29 510 471 A 14 PHE HZ A 91 PRO HGx 1.0 . 4.25 511 472 A 14 PHE HE% A 92 VAL HB 1.0 . 4.80 512 473 A 14 PHE HZ A 91 PRO HBy 1.0 . 5.50 513 474 A 26 PHE HE% A 83 THR HB 1.0 . 4.10 514 475 A 26 PHE HD% A 83 THR HB 1.0 . 4.55 515 476 A 65 VAL H A 64 ASP HBy 1.0 . 4.68 516 477 A 65 VAL H A 64 ASP HBx 1.0 . 4.68 517 478 A 114 SER HG A 63 ARG HDx 1.0 . 4.51 518 478 A 114 SER HG A 63 ARG HDy 1.0 . 4.51 519 479 A 5 TYR HD% A 117 ASN HBx 1.0 . 5.50 520 480 A 14 PHE HE% A 111 PHE HBy 1.0 . 3.99 521 481 A 54 PHE HBx A 58 HIS HD2 1.0 . 5.50 522 482 A 14 PHE HBy A 26 PHE HE% 1.0 . 4.12 523 483 A 86 TYR HE% A 112 TYR HBy 1.0 . 5.33 524 484 A 14 PHE HE% A 111 PHE HBx 1.0 . 3.57 525 485 A 14 PHE HZ A 111 PHE HBx 1.0 . 5.50 526 486 A 14 PHE HBx A 26 PHE HE% 1.0 . 4.38 527 487 A 14 PHE HBx A 26 PHE HD% 1.0 . 5.50 528 488 A 5 TYR HD% A 3 CYS HBx 1.0 . 4.86 529 489 A 5 TYR HD% A 3 CYS HBy 1.0 . 5.42 530 490 A 5 TYR HD% A 118 VAL HA 1.0 . 4.24 531 491 A 65 VAL H A 63 ARG HA 1.0 . 4.95 532 492 A 14 PHE HZ A 92 VAL HA 1.0 . 4.62 533 493 A 5 TYR HD% A 80 ASP HA 1.0 . 5.17 534 494 A 26 PHE HD% A 26 PHE HA 1.0 . 3.74 535 495 A 26 PHE HA A 28 GLY H 1.0 . 5.41 536 496 A 14 PHE HE% A 85 ILE HA 1.0 . 5.40 537 497 A 26 PHE HE% A 26 PHE HA 1.0 . 4.79 538 498 A 86 TYR HE% A 62 THR HA 1.0 . 3.66 539 499 A 26 PHE HD% A 16 VAL HA 1.0 . 4.75 540 500 A 14 PHE HA A 28 GLY H 1.0 . 5.50 541 501 A 86 TYR HE% A 61 ASN HA 1.0 . 3.67 542 502 A 5 TYR HD% A 81 LYS HA 1.0 . 4.34 543 503 A 5 TYR HD% A 117 ASN HA 1.0 . 4.60 544 504 A 84 PHE HZ A 82 ASN HD2y 1.0 . 4.37 545 505 A 79 LYS HZ% A 84 PHE HZ 1.0 . 4.07 546 506 A 84 PHE HE% A 82 ASN HD2y 1.0 . 4.06 547 507 A 79 LYS HZ% A 82 ASN HD2y 1.0 . 4.08 548 508 A 65 VAL H A 114 SER HG 1.0 . 4.78 549 509 A 84 PHE HD% A 114 SER HG 1.0 . 4.70 550 510 A 14 PHE HZ A 111 PHE HD% 1.0 . 4.57 551 511 A 86 TYR HE% A 112 TYR HD% 1.0 . 4.62 552 512 A 14 PHE HZ A 111 PHE HZ 1.0 . 4.56 553 513 A 14 PHE HE% A 111 PHE HZ 1.0 . 4.79 554 514 A 86 TYR HE% A 62 THR H 1.0 . 4.36 555 515 A 66 ASP H A 65 VAL H 1.0 . 4.74 556 516 A 86 TYR HE% A 63 ARG H 1.0 . 4.81 557 517 A 15 CYS H A 28 GLY H 1.0 . 3.40 558 518 A 114 SER H A 114 SER HG 1.0 . 4.74 559 519 A 16 VAL HG2% A 15 CYS HA 1.0 . 4.66 560 520 A 27 VAL HG2% A 15 CYS HA 1.0 . 5.09 561 521 A 106 LEU HD2% A 15 CYS HA 1.0 . 5.50 562 522 A 22 ALA HB% A 51 TRP HA 1.0 . 5.44 563 523 A 16 VAL HG1% A 15 CYS HA 1.0 . 4.25 564 524 A 17 THR HG2% A 104 ASN HA 1.0 . 5.37 565 525 A 81 LYS HBy A 117 ASN HA 1.0 . 4.72 566 526 A 8 LYS HBy A 115 ASP HA 1.0 . 5.50 567 527 A 54 PHE HBy A 51 TRP HA 1.0 . 4.30 568 528 A 104 ASN HA A 17 THR HA 1.0 . 4.62 569 529 A 82 ASN H A 115 ASP HA 1.0 . 4.43 570 530 A 86 TYR H A 113 LEU HA 1.0 . 4.70 571 531 A 24 VAL HG2% A 17 THR HB 1.0 . 4.10 572 532 A 95 ILE HG2% A 95 ILE HA 1.0 . 3.51 573 533 A 75 LEU HG A 82 ASN HD2x 1.0 . 3.56 574 534 A 118 VAL HA A 118 VAL HGy% 1.0 . 4.08 575 535 A 95 ILE HD1% A 95 ILE HA 1.0 . 5.21 576 536 A 55 GLN HA A 59 ILE HD1% 1.0 . 4.15 577 537 A 60 THR HG2% A 63 ARG HA 1.0 . 4.42 578 538 A 17 THR HG2% A 102 SER HBx 1.0 . 3.84 579 538 A 17 THR HG2% A 102 SER HBy 1.0 . 3.84 580 539 A 119 THR HG2% A 118 VAL HA 1.0 . 4.64 581 540 A 56 LYS HA A 56 LYS HGx 1.0 . 3.74 582 540 A 56 LYS HA A 56 LYS HGy 1.0 . 3.74 583 541 A 95 ILE HG1y A 95 ILE HA 1.0 . 4.19 584 542 A 55 GLN HA A 55 GLN HGx 1.0 . 3.74 585 542 A 55 GLN HA A 55 GLN HGy 1.0 . 3.74 586 543 A 101 ALA HB% A 102 SER HBx 1.0 . 4.94 587 543 A 102 SER HBy A 101 ALA HB% 1.0 . 4.94 588 544 A 59 ILE HG1y A 55 GLN HA 1.0 . 3.80 589 545 A 55 GLN HA A 59 ILE HB 1.0 . 3.92 590 546 A 91 PRO HDy A 90 GLU HBy 1.0 . 4.08 591 547 A 63 ARG HA A 63 ARG HDx 1.0 . 4.33 592 547 A 63 ARG HDy A 63 ARG HA 1.0 . 4.33 593 548 A 5 TYR HA A 118 VAL HA 1.0 . 3.56 594 549 A 11 THR H A 10 SER HB2 1.0 . 4.14 595 549 A 10 SER HB3 A 11 THR H 1.0 . 4.14 596 550 A 68 ASP H A 67 CYS HBx 1.0 . 5.25 597 551 A 24 VAL H A 23 PRO HDx 1.0 . 5.46 598 552 A 66 ASP HBy A 69 ASN HD2x 1.0 . 4.15 599 553 A 55 GLN H A 54 PHE HBx 1.0 . 4.28 600 554 A 70 ILE H A 69 ASN HBx 1.0 . 3.89 601 554 A 70 ILE H A 69 ASN HBy 1.0 . 3.89 602 555 A 72 SER H A 76 PHE HBx 1.0 . 4.55 603 555 A 72 SER H A 76 PHE HBy 1.0 . 4.55 604 556 A 84 PHE HD% A 63 ARG HDx 1.0 . 4.48 605 556 A 84 PHE HD% A 63 ARG HDy 1.0 . 4.48 606 557 A 69 ASN H A 68 ASP HBx 1.0 . 4.19 607 558 A 61 ASN HD2x A 61 ASN HBy 1.0 . 4.09 608 559 A 14 PHE HZ A 87 SER HBx 1.0 . 3.82 609 559 A 14 PHE HZ A 87 SER HBy 1.0 . 3.82 610 560 A 54 PHE HBx A 51 TRP HA 1.0 . 4.53 611 561 A 104 ASN HBx A 17 THR HA 1.0 . 4.70 612 562 A 51 TRP HBy A 24 VAL HA 1.0 . 4.95 613 563 A 54 PHE HBx A 24 VAL HA 1.0 . 3.92 614 564 A 73 THR HB A 74 ASN HBx 1.0 . 4.37 615 564 A 73 THR HB A 74 ASN HBy 1.0 . 4.37 616 565 A 93 LYS HA A 22 ALA HA 1.0 . 3.89 617 566 A 23 PRO HDx A 22 ALA HA 1.0 . 3.68 618 567 A 92 VAL HB A 89 PRO HA 1.0 . 4.26 619 568 A 71 MET HA A 76 PHE HBx 1.0 . 3.90 620 568 A 71 MET HA A 76 PHE HBy 1.0 . 3.90 621 569 A 23 PRO HDy A 22 ALA HA 1.0 . 3.49 622 570 A 17 THR HB A 25 HIS HBx 1.0 . 3.86 623 571 A 86 TYR HBx A 112 TYR HBx 1.0 . 4.10 624 572 A 114 SER HBy A 84 PHE HBy 1.0 . 4.06 625 573 A 87 SER HBx A 88 ARG HGx 1.0 . 4.79 626 573 A 87 SER HBy A 88 ARG HGx 1.0 . 4.79 627 573 A 88 ARG HGy A 87 SER HBx 1.0 . 4.79 628 573 A 88 ARG HGy A 87 SER HBy 1.0 . 4.79 629 574 A 12 ASN HBx A 110 GLU HGx 1.0 . 5.05 630 575 A 24 VAL HB A 25 HIS HBx 1.0 . 5.11 631 576 A 79 LYS HBy A 79 LYS HEx 1.0 . 4.06 632 576 A 79 LYS HBx A 79 LYS HEx 1.0 . 4.06 633 576 A 79 LYS HEy A 79 LYS HBx 1.0 . 4.06 634 576 A 79 LYS HEy A 79 LYS HBy 1.0 . 4.06 635 577 A 24 VAL HB A 54 PHE HBx 1.0 . 4.43 636 578 A 51 TRP HBy A 52 LEU HBx 1.0 . 5.35 637 579 A 79 LYS HGy A 79 LYS HEx 1.0 . 3.69 638 579 A 79 LYS HEy A 79 LYS HGy 1.0 . 3.69 639 580 A 79 LYS HGy A 77 HIS HBx 1.0 . 3.41 640 580 A 77 HIS HBy A 79 LYS HGy 1.0 . 3.41 641 581 A 79 LYS HGx A 79 LYS HEx 1.0 . 3.91 642 581 A 79 LYS HEy A 79 LYS HGx 1.0 . 3.91 643 582 A 56 LYS HBx A 56 LYS HEx 1.0 . 5.01 644 582 A 56 LYS HBx A 56 LYS HEy 1.0 . 5.01 645 583 A 117 ASN HBy A 6 LYS HD2 1.0 . 3.71 646 583 A 6 LYS HD3 A 117 ASN HBy 1.0 . 3.71 647 584 A 117 ASN HBx A 81 LYS HDx 1.0 . 5.50 648 584 A 117 ASN HBx A 81 LYS HDy 1.0 . 5.50 649 585 A 6 LYS HD3 A 6 LYS HE2 1.0 . 2.77 650 585 A 6 LYS HD2 A 6 LYS HE2 1.0 . 2.77 651 585 A 6 LYS HE3 A 6 LYS HD2 1.0 . 2.77 652 585 A 6 LYS HD3 A 6 LYS HE3 1.0 . 2.77 653 586 A 56 LYS HEx A 56 LYS HGx 1.0 . 3.48 654 586 A 56 LYS HEy A 56 LYS HGx 1.0 . 3.48 655 586 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.48 656 586 A 56 LYS HGy A 56 LYS HEy 1.0 . 3.48 657 587 A 6 LYS HE2 A 6 LYS HG2 1.0 . 3.57 658 587 A 6 LYS HE3 A 6 LYS HG2 1.0 . 3.57 659 587 A 6 LYS HG3 A 6 LYS HE2 1.0 . 3.57 660 587 A 6 LYS HG3 A 6 LYS HE3 1.0 . 3.57 661 588 A 70 ILE HG1y A 79 LYS HEx 1.0 . 4.99 662 588 A 70 ILE HG1y A 79 LYS HEy 1.0 . 4.99 663 589 A 8 LYS HE2 A 8 LYS HG2 1.0 . 4.06 664 589 A 8 LYS HE3 A 8 LYS HG2 1.0 . 4.06 665 589 A 8 LYS HG3 A 8 LYS HE2 1.0 . 4.06 666 589 A 8 LYS HE3 A 8 LYS HG3 1.0 . 4.06 667 590 A 81 LYS HEy A 81 LYS HGx 1.0 . 3.35 668 590 A 81 LYS HGy A 81 LYS HEx 1.0 . 3.35 669 590 A 81 LYS HGy A 81 LYS HEy 1.0 . 3.35 670 590 A 81 LYS HEx A 81 LYS HGx 1.0 . 3.35 671 591 A 103 LYS HEx A 103 LYS HGx 1.0 . 3.65 672 591 A 103 LYS HEy A 103 LYS HGx 1.0 . 3.65 673 591 A 103 LYS HGy A 103 LYS HEx 1.0 . 3.65 674 591 A 103 LYS HEy A 103 LYS HGy 1.0 . 3.65 675 592 A 80 ASP HBy A 81 LYS HGx 1.0 . 4.56 676 592 A 80 ASP HBx A 81 LYS HGx 1.0 . 4.56 677 592 A 81 LYS HGy A 80 ASP HBx 1.0 . 4.56 678 592 A 81 LYS HGy A 80 ASP HBy 1.0 . 4.56 679 593 A 54 PHE HBx A 55 GLN HGx 1.0 . 5.50 680 593 A 55 GLN HGy A 54 PHE HBx 1.0 . 5.50 681 594 A 92 VAL HG1% A 23 PRO HDy 1.0 . 5.50 682 595 A 92 VAL HG1% A 93 LYS HA 1.0 . 4.48 683 596 A 27 VAL HB A 15 CYS HBy 1.0 . 3.55 684 597 A 93 LYS HA A 93 LYS HGx 1.0 . 3.73 685 598 A 13 LYS HBy A 30 GLY HAx 1.0 . 4.99 686 598 A 13 LYS HBy A 30 GLY HAy 1.0 . 4.99 687 599 A 60 THR HG2% A 86 TYR HBx 1.0 . 4.84 688 600 A 17 THR HG2% A 25 HIS HBx 1.0 . 4.30 689 601 A 16 VAL HG1% A 14 PHE HBx 1.0 . 3.79 690 602 A 11 THR HG2% A 111 PHE HBx 1.0 . 5.15 691 603 A 11 THR HG2% A 112 TYR HBy 1.0 . 5.50 692 604 A 11 THR HG2% A 12 ASN HBy 1.0 . 4.85 693 605 A 22 ALA HB% A 23 PRO HDx 1.0 . 3.78 694 606 A 51 TRP HBy A 22 ALA HB% 1.0 . 4.06 695 607 A 54 PHE HBx A 45 LEU HDx% 1.0 . 4.12 696 607 A 45 LEU HDy% A 54 PHE HBx 1.0 . 4.12 697 608 A 25 HIS HBx A 45 LEU HDx% 1.0 . 5.04 698 608 A 45 LEU HDy% A 25 HIS HBx 1.0 . 5.04 699 609 A 85 ILE HG2% A 111 PHE HBx 1.0 . 4.25 700 610 A 85 ILE HG2% A 87 SER HBx 1.0 . 3.54 701 610 A 85 ILE HG2% A 87 SER HBy 1.0 . 3.54 702 611 A 85 ILE HG2% A 14 PHE HBx 1.0 . 5.50 703 612 A 99 ILE HG2% A 18 CYS HBy 1.0 . 3.77 704 613 A 99 ILE HD1% A 18 CYS HBy 1.0 . 4.30 705 614 A 70 ILE HG2% A 65 VAL HA 1.0 . 4.77 706 615 A 24 VAL HG2% A 25 HIS HBx 1.0 . 3.96 707 616 A 27 VAL HG1% A 15 CYS HBy 1.0 . 4.11 708 617 A 74 ASN HBx A 75 LEU HDy% 1.0 . 4.68 709 617 A 74 ASN HBy A 75 LEU HDy% 1.0 . 4.68 710 618 A 74 ASN HBy A 75 LEU HDx% 1.0 . 4.68 711 618 A 75 LEU HDx% A 74 ASN HBx 1.0 . 4.68 712 619 A 65 VAL HA A 65 VAL HG2% 1.0 . 3.29 713 620 A 85 ILE HD1% A 14 PHE HBx 1.0 . 4.95 714 621 A 65 VAL HA A 65 VAL HG1% 1.0 . 3.29 715 622 A 93 LYS HGy A 23 PRO HDy 1.0 . 4.68 716 623 A 93 LYS HGy A 93 LYS HA 1.0 . 3.61 717 624 A 51 TRP HBx A 22 ALA HB% 1.0 . 3.72 718 625 A 93 LYS HGy A 93 LYS HEy 1.0 . 4.14 719 626 A 93 LYS HGy A 93 LYS HEx 1.0 . 4.14 720 627 A 24 VAL HG2% A 19 GLU HBy 1.0 . 3.13 721 628 A 99 ILE HG2% A 18 CYS HBx 1.0 . 3.77 722 629 A 99 ILE HD1% A 18 CYS HBx 1.0 . 4.30 723 630 A 92 VAL HG2% A 91 PRO HBy 1.0 . 5.47 724 631 A 60 THR HG2% A 84 PHE HBy 1.0 . 3.80 725 632 A 94 ALA HB% A 91 PRO HBy 1.0 . 5.50 726 633 A 15 CYS HBx A 106 LEU HBx 1.0 . 3.67 727 634 A 79 LYS HGy A 79 LYS HBx 1.0 . 2.94 728 634 A 79 LYS HBy A 79 LYS HGy 1.0 . 2.94 729 635 A 24 VAL HB A 45 LEU HBx 1.0 . 4.01 730 635 A 24 VAL HB A 45 LEU HBy 1.0 . 4.01 731 636 A 91 PRO HDy A 90 GLU HBx 1.0 . 4.08 732 637 A 19 GLU HA A 19 GLU HGx 1.0 . 4.08 733 638 A 15 CYS HBx A 28 GLY HAx 1.0 . 5.31 734 638 A 15 CYS HBx A 28 GLY HAy 1.0 . 5.31 735 639 A 29 VAL HB A 28 GLY HAx 1.0 . 5.50 736 639 A 28 GLY HAy A 29 VAL HB 1.0 . 5.50 737 640 A 91 PRO HDx A 88 ARG HBy 1.0 . 4.57 738 641 A 24 VAL HB A 49 SER HBx 1.0 . 4.96 739 641 A 24 VAL HB A 49 SER HBy 1.0 . 4.96 740 642 A 17 THR HB A 16 VAL HB 1.0 . 4.87 741 643 A 19 GLU HA A 19 GLU HGy 1.0 . 4.08 742 644 A 43 THR HB A 42 GLU HGx 1.0 . 4.87 743 644 A 42 GLU HGy A 43 THR HB 1.0 . 4.87 744 645 A 15 CYS HBx A 29 VAL HA 1.0 . 5.25 745 646 A 118 VAL HB A 80 ASP HA 1.0 . 3.93 746 647 A 15 CYS HBx A 31 SER HA 1.0 . 4.99 747 648 A 15 CYS HBx A 32 CYS HA 1.0 . 3.96 748 649 A 24 VAL HB A 50 ASP HA 1.0 . 4.27 749 650 A 110 GLU HGx A 12 ASN HA 1.0 . 4.12 750 651 A 12 ASN HA A 110 GLU HGy 1.0 . 4.58 751 652 A 118 VAL HB A 81 LYS HA 1.0 . 5.50 752 653 A 118 VAL HB A 117 ASN HA 1.0 . 5.50 753 654 A 26 PHE HD% A 16 VAL HB 1.0 . 5.35 754 655 A 29 VAL HB A 29 VAL H 1.0 . 3.59 755 656 A 84 PHE H A 83 THR HB 1.0 . 4.92 756 657 A 21 GLN H A 21 GLN HBy 1.0 . 4.10 757 658 A 13 LYS HBy A 107 THR HA 1.0 . 5.36 758 659 A 70 ILE HA A 73 THR HG2% 1.0 . 3.50 759 660 A 70 ILE HG1y A 70 ILE HA 1.0 . 3.94 760 661 A 100 ILE HG1y A 99 ILE HA 1.0 . 4.93 761 662 A 91 PRO HDx A 88 ARG HBx 1.0 . 4.57 762 663 A 91 PRO HDx A 88 ARG HGx 1.0 . 4.90 763 663 A 88 ARG HGy A 91 PRO HDx 1.0 . 4.90 764 664 A 56 LYS HA A 56 LYS HDx 1.0 . 4.04 765 664 A 56 LYS HDy A 56 LYS HA 1.0 . 4.04 766 665 A 93 LYS HBy A 94 ALA HA 1.0 . 4.04 767 666 A 63 ARG HBx A 114 SER HBx 1.0 . 4.27 768 667 A 113 LEU HBy A 10 SER HB2 1.0 . 3.64 769 667 A 113 LEU HBy A 10 SER HB3 1.0 . 3.64 770 668 A 92 VAL HG1% A 92 VAL HA 1.0 . 4.12 771 669 A 95 ILE HG1y A 92 VAL HA 1.0 . 4.01 772 670 A 92 VAL HG2% A 92 VAL HA 1.0 . 3.34 773 671 A 45 LEU HG A 49 SER HBx 1.0 . 5.26 774 671 A 49 SER HBy A 45 LEU HG 1.0 . 5.26 775 672 A 45 LEU HBx A 49 SER HBx 1.0 . 4.42 776 672 A 45 LEU HBy A 49 SER HBx 1.0 . 4.42 777 672 A 49 SER HBy A 45 LEU HBx 1.0 . 4.42 778 672 A 45 LEU HBy A 49 SER HBy 1.0 . 4.42 779 673 A 97 LYS HA A 97 LYS HGy 1.0 . 3.87 780 674 A 95 ILE HG1x A 95 ILE HA 1.0 . 4.11 781 675 A 2 PRO HDx A 71 MET HBx 1.0 . 4.17 782 675 A 2 PRO HDx A 71 MET HBy 1.0 . 4.17 783 676 A 19 GLU HBx A 102 SER HBx 1.0 . 4.87 784 676 A 19 GLU HBx A 102 SER HBy 1.0 . 4.87 785 677 A 59 ILE HG1x A 55 GLN HA 1.0 . 4.44 786 678 A 108 THR HA A 13 LYS HD2 1.0 . 4.34 787 678 A 13 LYS HD3 A 108 THR HA 1.0 . 4.34 788 679 A 108 THR HG2% A 108 THR HA 1.0 . 3.40 789 680 A 79 LYS HA A 79 LYS HGy 1.0 . 3.65 790 681 A 103 LYS HA A 103 LYS HGx 1.0 . 3.11 791 681 A 103 LYS HGy A 103 LYS HA 1.0 . 3.11 792 682 A 53 THR HG2% A 53 THR HA 1.0 . 3.04 793 683 A 45 LEU HG A 45 LEU HA 1.0 . 3.59 794 684 A 43 THR HA A 43 THR HG2% 1.0 . 3.66 795 685 A 94 ALA HB% A 91 PRO HA 1.0 . 4.19 796 686 A 106 LEU HBx A 31 SER HA 1.0 . 4.33 797 687 A 73 THR HG2% A 73 THR HA 1.0 . 3.43 798 688 A 4 LYS HA A 4 LYS HD2 1.0 . 4.06 799 688 A 4 LYS HA A 4 LYS HD3 1.0 . 4.06 800 689 A 107 THR HB A 13 LYS HD2 1.0 . 3.82 801 689 A 13 LYS HD3 A 107 THR HB 1.0 . 3.82 802 690 A 106 LEU HG A 106 LEU HA 1.0 . 3.93 803 691 A 24 VAL HA A 45 LEU HBx 1.0 . 4.31 804 691 A 24 VAL HA A 45 LEU HBy 1.0 . 4.31 805 692 A 8 LYS HA A 8 LYS HD2 1.0 . 4.16 806 692 A 8 LYS HD3 A 8 LYS HA 1.0 . 4.16 807 693 A 13 LYS HBy A 107 THR HB 1.0 . 4.24 808 694 A 70 ILE HG1x A 67 CYS HA 1.0 . 4.74 809 695 A 55 GLN HE2x A 55 GLN HGx 1.0 . 3.50 810 695 A 55 GLN HE2x A 55 GLN HGy 1.0 . 3.50 811 696 A 63 ARG HGx A 64 ASP HA 1.0 . 4.07 812 697 A 5 TYR HA A 6 LYS HD2 1.0 . 4.21 813 697 A 5 TYR HA A 6 LYS HD3 1.0 . 4.21 814 698 A 59 ILE HA A 85 ILE HB 1.0 . 4.24 815 699 A 9 LYS HA A 9 LYS HDy 1.0 . 4.60 816 700 A 59 ILE HG1x A 59 ILE HA 1.0 . 4.21 817 701 A 86 TYR HA A 60 THR HG2% 1.0 . 4.29 818 702 A 7 LEU HA A 7 LEU HDy% 1.0 . 4.42 819 703 A 9 LYS HA A 9 LYS HDx 1.0 . 4.60 820 704 A 27 VAL HB A 15 CYS HA 1.0 . 4.43 821 705 A 18 CYS HA A 23 PRO HBy 1.0 . 4.82 822 706 A 59 ILE HG2% A 59 ILE HA 1.0 . 4.19 823 707 A 24 VAL HG1% A 18 CYS HA 1.0 . 4.63 824 708 A 59 ILE HD1% A 59 ILE HA 1.0 . 4.23 825 709 A 60 THR HG2% A 59 ILE HA 1.0 . 4.50 826 710 A 27 VAL HB A 16 VAL HA 1.0 . 4.55 827 711 A 16 VAL HG1% A 16 VAL HA 1.0 . 3.61 828 712 A 17 THR HG2% A 17 THR HA 1.0 . 3.44 829 713 A 14 PHE HA A 13 LYS HG2 1.0 . 4.46 830 713 A 13 LYS HG3 A 14 PHE HA 1.0 . 4.46 831 714 A 112 TYR HA A 11 THR HG2% 1.0 . 3.81 832 715 A 59 ILE HD1% A 51 TRP HH2 1.0 . 4.37 833 716 A 51 TRP HH2 A 23 PRO HGy 1.0 . 5.46 834 717 A 93 LYS HBx A 51 TRP HH2 1.0 . 4.84 835 718 A 76 PHE H A 75 LEU HBy 1.0 . 4.60 836 719 A 5 TYR HD% A 4 LYS HBy 1.0 . 5.50 837 720 A 5 TYR HD% A 6 LYS HD2 1.0 . 5.50 838 720 A 5 TYR HD% A 6 LYS HD3 1.0 . 5.50 839 721 A 5 TYR HD% A 4 LYS HBx 1.0 . 5.50 840 722 A 5 TYR HD% A 6 LYS HG2 1.0 . 5.50 841 722 A 5 TYR HD% A 6 LYS HG3 1.0 . 5.50 842 723 A 14 PHE HZ A 92 VAL HG1% 1.0 . 3.78 843 724 A 92 VAL HG2% A 111 PHE HE% 1.0 . 4.57 844 725 A 16 VAL HG1% A 54 PHE HE% 1.0 . 4.64 845 726 A 86 TYR HD% A 59 ILE HG2% 1.0 . 5.11 846 727 A 99 ILE HB A 97 LYS H 1.0 . 3.89 847 728 A 57 LYS H A 55 GLN HBx 1.0 . 4.78 848 729 A 57 LYS H A 56 LYS HBy 1.0 . 5.04 849 730 A 57 LYS H A 53 THR HG2% 1.0 . 5.50 850 731 A 57 LYS H A 55 GLN HGx 1.0 . 5.50 851 731 A 57 LYS H A 55 GLN HGy 1.0 . 5.50 852 732 A 57 LYS H A 57 LYS HDx 1.0 . 4.50 853 732 A 57 LYS H A 57 LYS HDy 1.0 . 4.50 854 733 A 57 LYS H A 57 LYS HGx 1.0 . 4.26 855 733 A 57 LYS H A 57 LYS HGy 1.0 . 4.26 856 734 A 102 SER H A 101 ALA HB% 1.0 . 3.92 857 735 A 70 ILE HB A 70 ILE H 1.0 . 3.61 858 736 A 64 ASP H A 63 ARG HBx 1.0 . 4.86 859 737 A 94 ALA H A 93 LYS HBy 1.0 . 3.60 860 738 A 59 ILE HD1% A 87 SER H 1.0 . 4.94 861 739 A 101 ALA H A 100 ILE HB 1.0 . 4.01 862 740 A 10 SER H A 8 LYS HG2 1.0 . 5.17 863 740 A 10 SER H A 8 LYS HG3 1.0 . 5.17 864 741 A 80 ASP H A 79 LYS HGy 1.0 . 5.00 865 742 A 7 LEU H A 7 LEU HG 1.0 . 5.20 866 743 A 98 GLY H A 21 GLN HBx 1.0 . 4.42 867 744 A 9 LYS H A 8 LYS HG2 1.0 . 4.68 868 744 A 9 LYS H A 8 LYS HG3 1.0 . 4.68 869 745 A 51 TRP HE1 A 55 GLN HGx 1.0 . 5.30 870 745 A 51 TRP HE1 A 55 GLN HGy 1.0 . 5.30 871 746 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.70 872 747 A 59 ILE HD1% A 59 ILE HB 1.0 . 3.66 873 748 A 15 CYS HBx A 106 LEU HD1% 1.0 . 3.53 874 749 A 51 TRP HBy A 24 VAL HG1% 1.0 . 4.29 875 750 A 51 TRP HBx A 24 VAL HG1% 1.0 . 3.85 876 751 A 106 LEU HD2% A 30 GLY HAx 1.0 . 4.09 877 751 A 106 LEU HD2% A 30 GLY HAy 1.0 . 4.09 878 752 A 85 ILE HG2% A 111 PHE HBy 1.0 . 4.52 879 753 A 106 LEU HD1% A 15 CYS HBy 1.0 . 4.44 880 754 A 39 ILE HG2% A 39 ILE HA 1.0 . 3.47 881 755 A 105 VAL HA A 105 VAL HG2% 1.0 . 3.96 882 756 A 105 VAL HA A 105 VAL HG1% 1.0 . 3.96 883 757 A 95 ILE HG2% A 105 VAL HA 1.0 . 4.87 884 758 A 107 THR HG2% A 107 THR HA 1.0 . 3.09 885 759 A 70 ILE HD1% A 70 ILE HA 1.0 . 4.56 886 760 A 99 ILE HG1x A 99 ILE HA 1.0 . 3.60 887 761 A 99 ILE HG2% A 99 ILE HA 1.0 . 3.81 888 762 A 63 ARG HGy A 114 SER HBx 1.0 . 4.19 889 763 A 95 ILE HD1% A 92 VAL HA 1.0 . 4.38 890 764 A 45 LEU HDy% A 49 SER HBx 1.0 . 4.79 891 764 A 45 LEU HDx% A 49 SER HBx 1.0 . 4.79 892 764 A 49 SER HBy A 45 LEU HDx% 1.0 . 4.79 893 764 A 45 LEU HDy% A 49 SER HBy 1.0 . 4.79 894 765 A 75 LEU HA A 75 LEU HDy% 1.0 . 3.72 895 766 A 75 LEU HA A 75 LEU HDx% 1.0 . 3.72 896 767 A 100 ILE HG2% A 100 ILE HA 1.0 . 4.04 897 768 A 99 ILE HG2% A 100 ILE HA 1.0 . 4.11 898 769 A 100 ILE HA A 100 ILE HD1% 1.0 . 5.29 899 770 A 52 LEU HA A 52 LEU HD2% 1.0 . 4.05 900 771 A 27 VAL HG2% A 27 VAL HA 1.0 . 3.83 901 772 A 52 LEU HA A 52 LEU HD1% 1.0 . 4.05 902 773 A 27 VAL HG1% A 27 VAL HA 1.0 . 3.21 903 774 A 63 ARG HGy A 114 SER HBy 1.0 . 4.17 904 775 A 107 THR HG2% A 95 ILE HA 1.0 . 4.83 905 776 A 107 THR HG2% A 109 SER HBx 1.0 . 4.77 906 776 A 107 THR HG2% A 109 SER HBy 1.0 . 4.77 907 777 A 70 ILE HD1% A 2 PRO HDx 1.0 . 4.89 908 778 A 70 ILE HD1% A 82 ASN HD2x 1.0 . 5.23 909 779 A 118 VAL HA A 118 VAL HGx% 1.0 . 4.08 910 780 A 59 ILE HG2% A 55 GLN HA 1.0 . 4.14 911 781 A 100 ILE HG2% A 20 ASN HA 1.0 . 4.40 912 782 A 45 LEU HA A 45 LEU HDx% 1.0 . 3.71 913 782 A 45 LEU HDy% A 45 LEU HA 1.0 . 3.71 914 783 A 85 ILE HG2% A 85 ILE HA 1.0 . 3.49 915 784 A 20 ASN HA A 100 ILE HD1% 1.0 . 4.25 916 785 A 113 LEU HG A 29 VAL HA 1.0 . 5.50 917 786 A 63 ARG HBy A 62 THR HA 1.0 . 4.82 918 787 A 106 LEU HD2% A 31 SER HA 1.0 . 3.31 919 788 A 95 ILE HD1% A 91 PRO HA 1.0 . 4.97 920 789 A 83 THR HG2% A 83 THR HA 1.0 . 3.48 921 790 A 24 VAL HG1% A 24 VAL HA 1.0 . 3.14 922 791 A 106 LEU HD1% A 31 SER HA 1.0 . 3.25 923 792 A 106 LEU HD1% A 106 LEU HA 1.0 . 3.41 924 793 A 24 VAL HG1% A 50 ASP HA 1.0 . 3.50 925 794 A 96 CYS HA A 99 ILE HD1% 1.0 . 4.11 926 795 A 96 CYS HA A 95 ILE HG2% 1.0 . 4.12 927 796 A 70 ILE HG2% A 67 CYS HA 1.0 . 5.15 928 797 A 106 LEU HA A 106 LEU HD2% 1.0 . 5.32 929 798 A 16 VAL HG2% A 16 VAL HA 1.0 . 3.54 930 799 A 106 LEU HD1% A 14 PHE HA 1.0 . 4.31 931 800 A 11 THR HG2% A 11 THR HA 1.0 . 3.43 932 801 A 24 VAL HG1% A 51 TRP HA 1.0 . 3.73 933 802 A 51 TRP HA A 45 LEU HDx% 1.0 . 4.66 934 802 A 45 LEU HDy% A 51 TRP HA 1.0 . 4.66 935 803 A 86 TYR HA A 59 ILE HG2% 1.0 . 4.14 936 804 A 86 TYR HA A 85 ILE HG2% 1.0 . 4.66 937 805 A 7 LEU HA A 7 LEU HDx% 1.0 . 4.42 938 806 A 106 LEU HD1% A 15 CYS HA 1.0 . 3.82 939 807 A 14 PHE HZ A 85 ILE HD1% 1.0 . 5.01 940 808 A 84 PHE HZ A 65 VAL HG2% 1.0 . 5.17 941 809 A 70 ILE HG2% A 84 PHE HZ 1.0 . 4.79 942 810 A 14 PHE HZ A 107 THR HG2% 1.0 . 4.18 943 811 A 84 PHE HZ A 75 LEU HDx% 1.0 . 4.56 944 812 A 84 PHE HZ A 75 LEU HDy% 1.0 . 4.56 945 813 A 70 ILE HD1% A 84 PHE HZ 1.0 . 4.39 946 814 A 26 PHE HE% A 113 LEU HD1% 1.0 . 5.33 947 815 A 83 THR HG2% A 26 PHE HD% 1.0 . 4.68 948 816 A 55 GLN HE2y A 52 LEU HD2% 1.0 . 4.63 949 817 A 96 CYS H A 99 ILE HD1% 1.0 . 4.74 950 818 A 84 PHE HE% A 75 LEU HDy% 1.0 . 5.18 951 819 A 84 PHE HE% A 75 LEU HDx% 1.0 . 5.18 952 820 A 76 PHE H A 75 LEU HBx 1.0 . 4.60 953 821 A 14 PHE HD% A 95 ILE HD1% 1.0 . 4.37 954 822 A 104 ASN HD2y A 23 PRO HBx 1.0 . 5.30 955 823 A 14 PHE HD% A 107 THR HG2% 1.0 . 4.63 956 824 A 76 PHE H A 75 LEU HDx% 1.0 . 4.75 957 825 A 24 VAL HG1% A 22 ALA H 1.0 . 4.80 958 826 A 100 ILE HG2% A 101 ALA H 1.0 . 5.39 959 827 A 111 PHE HD% A 107 THR HG2% 1.0 . 4.37 960 828 A 25 HIS H A 16 VAL HG2% 1.0 . 4.77 961 829 A 25 HIS H A 23 PRO HBx 1.0 . 4.42 962 830 A 75 LEU HG A 75 LEU H 1.0 . 4.02 963 831 A 42 GLU H A 41 LEU HDy% 1.0 . 5.26 964 832 A 27 VAL HG1% A 33 GLY H 1.0 . 3.94 965 833 A 40 PHE H A 41 LEU HDy% 1.0 . 4.81 966 834 A 40 PHE H A 41 LEU HDx% 1.0 . 4.81 967 835 A 106 LEU H A 105 VAL HG2% 1.0 . 4.13 968 836 A 106 LEU H A 95 ILE HG2% 1.0 . 5.23 969 837 A 70 ILE HG2% A 67 CYS H 1.0 . 4.93 970 838 A 19 GLU H A 99 ILE HG2% 1.0 . 4.72 971 839 A 107 THR H A 107 THR HG2% 1.0 . 3.62 972 840 A 17 THR H A 23 PRO HBx 1.0 . 4.73 973 841 A 24 VAL H A 23 PRO HBx 1.0 . 4.23 974 842 A 71 MET H A 70 ILE HD1% 1.0 . 4.75 975 843 A 30 GLY H A 113 LEU HG 1.0 . 5.50 976 844 A 16 VAL H A 27 VAL HG2% 1.0 . 3.49 977 845 A 12 ASN H A 113 LEU HG 1.0 . 5.01 978 846 A 5 TYR H A 119 THR HG2% 1.0 . 3.98 979 847 A 93 LYS HGy A 23 PRO HDx 1.0 . 4.44 980 848 A 93 LYS HGy A 22 ALA HA 1.0 . 4.74 981 849 A 93 LYS HGy A 55 GLN HE2y 1.0 . 5.50 982 850 A 84 PHE H A 84 PHE HBy 1.0 . 3.70 983 851 A 25 HIS HA A 25 HIS HD2 1.0 . 5.05 984 852 A 25 HIS HA A 54 PHE HE% 1.0 . 5.50 985 853 A 17 THR H A 54 PHE HE% 1.0 . 5.46 986 854 A 54 PHE HD% A 45 LEU HBx 1.0 . 4.74 987 854 A 54 PHE HD% A 45 LEU HBy 1.0 . 4.74 988 855 A 59 ILE HG1y A 54 PHE HD% 1.0 . 5.19 989 856 A 82 ASN HD2y A 58 HIS HA 1.0 . 4.17 990 857 A 21 GLN HE2x A 21 GLN HBx 1.0 . 4.14 991 858 A 5 TYR HD% A 118 VAL HGy% 1.0 . 4.43 992 859 A 95 ILE HD1% A 104 ASN HD2y 1.0 . 3.25 993 860 A 14 PHE HD% A 85 ILE HG2% 1.0 . 3.34 994 861 A 71 MET H A 69 ASN HBx 1.0 . 4.61 995 861 A 71 MET H A 69 ASN HBy 1.0 . 4.61 996 862 A 82 ASN H A 82 ASN HBx 1.0 . 3.75 997 863 A 86 TYR HE% A 112 TYR HBx 1.0 . 4.64 998 864 A 19 GLU HBx A 20 ASN H 1.0 . 4.66 999 865 A 20 ASN H A 19 GLU HBy 1.0 . 4.40 1000 866 A 6 LYS H A 119 THR H 1.0 . 5.04 1001 867 A 107 THR H A 15 CYS H 1.0 . 5.50 1002 868 A 51 TRP H A 53 THR H 1.0 . 5.50 1003 869 A 54 PHE H A 51 TRP H 1.0 . 5.50 1004 870 A 93 LYS HZ% A 93 LYS HGx 1.0 . 4.20 1005 871 A 18 CYS H A 16 VAL HG2% 1.0 . 4.86 1006 872 A 24 VAL H A 18 CYS H 1.0 . 5.32 1007 873 A 112 TYR H A 113 LEU H 1.0 . 4.51 1008 874 A 10 SER H A 114 SER HA 1.0 . 4.17 1009 875 A 115 ASP H A 9 LYS HA 1.0 . 3.91 1010 876 A 93 LYS H A 93 LYS HGx 1.0 . 4.59 1011 877 A 51 TRP HZ3 A 59 ILE HD1% 1.0 . 4.27 1012 878 A 70 ILE HD1% A 75 LEU H 1.0 . 5.50 1013 879 A 111 PHE HZ A 91 PRO HBx 1.0 . 3.96 1014 880 A 79 LYS H A 79 LYS HDx 1.0 . 4.65 1015 881 A 109 SER H A 107 THR HB 1.0 . 3.19 1016 882 A 111 PHE HE% A 107 THR HB 1.0 . 4.09 1017 883 A 51 TRP HD1 A 52 LEU H 1.0 . 4.28 1018 884 A 86 TYR HD% A 63 ARG H 1.0 . 4.37 1019 885 A 72 SER H A 69 ASN HBx 1.0 . 5.04 1020 885 A 72 SER H A 69 ASN HBy 1.0 . 5.04 1021 886 A 97 LYS HA A 97 LYS HGx 1.0 . 3.87 1022 887 A 97 LYS HA A 21 GLN HBy 1.0 . 4.08 1023 888 A 21 GLN HGx A 97 LYS HA 1.0 . 4.56 1024 889 A 16 VAL H A 95 ILE HG2% 1.0 . 5.06 1025 890 A 72 SER H A 73 THR HG2% 1.0 . 3.98 1026 891 A 8 LYS HBy A 117 ASN HD2x 1.0 . 4.45 1027 892 A 79 LYS HZ% A 79 LYS HGy 1.0 . 4.41 1028 893 A 119 THR H A 119 THR HB 1.0 . 3.85 1029 894 A 44 SER HA A 44 SER H 1.0 . 2.86 1030 895 A 15 CYS HBy A 32 CYS HA 1.0 . 4.53 1031 896 A 112 TYR HD% A 11 THR HG2% 1.0 . 3.39 1032 897 A 24 VAL H A 23 PRO HA 1.0 . 3.05 1033 898 A 92 VAL H A 91 PRO HBy 1.0 . 4.52 1034 899 A 54 PHE HZ A 16 VAL HB 1.0 . 4.36 1035 900 A 88 ARG H A 91 PRO HGx 1.0 . 4.21 1036 901 A 92 VAL HG2% A 89 PRO HA 1.0 . 4.25 1037 902 A 45 LEU HA A 46 SER H 1.0 . 3.47 1038 903 A 17 THR H A 26 PHE HA 1.0 . 3.96 1039 904 A 65 VAL H A 64 ASP HA 1.0 . 3.14 1040 905 A 107 THR H A 106 LEU HBy 1.0 . 4.13 1041 906 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.70 1042 907 A 85 ILE H A 59 ILE HG2% 1.0 . 3.70 1043 908 A 95 ILE HG2% A 95 ILE H 1.0 . 3.89 1044 909 A 33 GLY H A 33 GLY HAx 1.0 . 2.63 1045 909 A 33 GLY H A 33 GLY HAy 1.0 . 2.63 1046 910 A 27 VAL H A 15 CYS HBy 1.0 . 4.48 1047 911 A 75 LEU H A 74 ASN HA 1.0 . 3.41 1048 912 A 7 LEU H A 7 LEU HBy 1.0 . 3.36 1049 913 A 25 HIS H A 45 LEU HDx% 1.0 . 4.68 1050 913 A 25 HIS H A 45 LEU HDy% 1.0 . 4.68 1051 914 A 103 LYS H A 103 LYS HBx 1.0 . 3.87 1052 915 A 97 LYS H A 99 ILE HD1% 1.0 . 4.46 1053 916 A 96 CYS H A 96 CYS HBx 1.0 . 3.74 1054 917 A 41 LEU H A 41 LEU HDx% 1.0 . 4.20 1055 918 A 41 LEU H A 41 LEU HDy% 1.0 . 4.20 1056 919 A 52 LEU H A 52 LEU HBy 1.0 . 3.02 1057 920 A 70 ILE H A 70 ILE HD1% 1.0 . 3.35 1058 921 A 13 LYS H A 13 LYS HD2 1.0 . 3.82 1059 921 A 13 LYS H A 13 LYS HD3 1.0 . 3.82 1060 922 A 97 LYS H A 97 LYS HDy 1.0 . 5.50 1061 923 A 51 TRP HD1 A 52 LEU HG 1.0 . 5.50 1062 924 A 97 LYS H A 97 LYS HDx 1.0 . 5.50 1063 925 A 69 ASN H A 69 ASN HD2y 1.0 . 3.70 1064 926 A 76 PHE HD% A 76 PHE H 1.0 . 3.49 1065 927 A 5 TYR H A 4 LYS HD2 1.0 . 4.34 1066 927 A 5 TYR H A 4 LYS HD3 1.0 . 4.34 1067 928 A 45 LEU H A 45 LEU HBx 1.0 . 3.10 1068 928 A 45 LEU H A 45 LEU HBy 1.0 . 3.10 1069 929 A 8 LYS HBy A 117 ASN HD2y 1.0 . 4.45 1070 930 A 4 LYS H A 3 CYS HBx 1.0 . 3.84 1071 931 A 92 VAL H A 91 PRO HDx 1.0 . 3.74 1072 932 A 23 PRO HGx A 22 ALA HA 1.0 . 4.32 1073 933 A 22 ALA HB% A 51 TRP H 1.0 . 4.00 1074 934 A 3 CYS HBy A 4 LYS H 1.0 . 3.31 1075 935 A 62 THR HG2% A 63 ARG H 1.0 . 4.35 1076 936 A 11 THR HG2% A 111 PHE HA 1.0 . 3.88 1077 937 A 31 SER H A 32 CYS HA 1.0 . 4.98 1078 938 A 75 LEU H A 73 THR HA 1.0 . 5.22 1079 939 A 50 ASP H A 49 SER HBx 1.0 . 3.21 1080 939 A 50 ASP H A 49 SER HBy 1.0 . 3.21 1081 940 A 37 SER H A 37 SER HBy 1.0 . 3.88 1082 941 A 49 SER H A 47 ALA HA 1.0 . 5.00 1083 942 A 14 PHE HD% A 111 PHE HE% 1.0 . 4.83 1084 943 A 54 PHE HD% A 26 PHE HA 1.0 . 5.37 1085 944 A 54 PHE HE% A 26 PHE HA 1.0 . 4.40 1086 945 A 54 PHE H A 54 PHE HD% 1.0 . 4.16 1087 946 A 54 PHE HD% A 54 PHE HA 1.0 . 3.59 1088 947 A 55 GLN H A 54 PHE HD% 1.0 . 3.51 1089 948 A 59 ILE H A 58 HIS HD2 1.0 . 5.35 1090 949 A 51 TRP HZ2 A 89 PRO HBx 1.0 . 3.63 1091 950 A 51 TRP HZ2 A 89 PRO HBy 1.0 . 3.63 1092 951 A 100 ILE H A 20 ASN H 1.0 . 4.89 1093 952 A 21 GLN H A 20 ASN H 1.0 . 3.16 1094 953 A 19 GLU H A 20 ASN H 1.0 . 4.30 1095 954 A 20 ASN H A 101 ALA H 1.0 . 4.64 1096 955 A 20 ASN H A 22 ALA H 1.0 . 4.57 1097 956 A 20 ASN H A 102 SER H 1.0 . 4.96 1098 957 A 59 ILE H A 85 ILE H 1.0 . 4.70 1099 958 A 90 GLU H A 92 VAL H 1.0 . 4.40 1100 959 A 8 LYS H A 7 LEU H 1.0 . 4.61 1101 960 A 84 PHE H A 116 CYS H 1.0 . 5.08 1102 961 A 113 LEU H A 11 THR H 1.0 . 4.82 1103 962 A 13 LYS H A 30 GLY H 1.0 . 4.78 1104 963 A 98 GLY H A 97 LYS H 1.0 . 4.12 1105 964 A 99 ILE H A 98 GLY H 1.0 . 3.10 1106 965 A 13 LYS H A 12 ASN HD2y 1.0 . 5.50 1107 966 A 12 ASN H A 11 THR H 1.0 . 4.21 1108 967 A 75 LEU H A 74 ASN H 1.0 . 3.60 1109 968 A 6 LYS H A 7 LEU H 1.0 . 4.58 1110 969 A 6 LYS H A 117 ASN H 1.0 . 3.30 1111 970 A 86 TYR H A 87 SER H 1.0 . 4.33 1112 971 A 52 LEU H A 51 TRP H 1.0 . 3.02 1113 972 A 86 TYR H A 112 TYR H 1.0 . 4.61 1114 973 A 118 VAL H A 81 LYS H 1.0 . 5.50 1115 974 A 10 SER H A 115 ASP H 1.0 . 4.56 1116 975 A 21 GLN H A 21 GLN HE2x 1.0 . 5.08 1117 976 A 99 ILE H A 21 GLN H 1.0 . 4.15 1118 977 A 70 ILE H A 68 ASP H 1.0 . 4.22 1119 978 A 30 GLY H A 31 SER H 1.0 . 3.32 1120 979 A 28 GLY H A 29 VAL H 1.0 . 4.35 1121 980 A 30 GLY H A 12 ASN HD2x 1.0 . 5.49 1122 981 A 117 ASN H A 117 ASN HD2y 1.0 . 4.92 1123 982 A 18 CYS H A 104 ASN H 1.0 . 4.05 1124 983 A 57 LYS H A 54 PHE H 1.0 . 5.04 1125 984 A 8 LYS H A 117 ASN H 1.0 . 5.08 1126 985 A 107 THR H A 106 LEU H 1.0 . 4.68 1127 986 A 54 PHE H A 56 LYS H 1.0 . 4.64 1128 987 A 85 ILE H A 60 THR H 1.0 . 3.92 1129 988 A 87 SER H A 60 THR H 1.0 . 4.27 1130 989 A 24 VAL H A 51 TRP H 1.0 . 5.50 1131 990 A 71 MET H A 73 THR H 1.0 . 4.54 1132 991 A 71 MET H A 70 ILE H 1.0 . 2.96 1133 992 A 49 SER H A 48 GLY H 1.0 . 3.39 1134 993 A 108 THR H A 109 SER H 1.0 . 2.71 1135 994 A 82 ASN H A 116 CYS H 1.0 . 3.21 1136 995 A 93 LYS H A 92 VAL H 1.0 . 2.73 1137 996 A 94 ALA H A 93 LYS H 1.0 . 2.88 1138 997 A 93 LYS H A 95 ILE H 1.0 . 4.52 1139 998 A 18 CYS H A 103 LYS H 1.0 . 3.22 1140 999 A 61 ASN H A 62 THR H 1.0 . 2.89 1141 1000 A 59 ILE H A 82 ASN HD2y 1.0 . 5.50 1142 1001 A 55 GLN H A 55 GLN HE2y 1.0 . 4.76 1143 1002 A 54 PHE H A 55 GLN H 1.0 . 3.06 1144 1003 A 100 ILE H A 101 ALA H 1.0 . 2.72 1145 1004 A 99 ILE H A 100 ILE H 1.0 . 4.57 1146 1005 A 105 VAL H A 106 LEU H 1.0 . 4.39 1147 1006 A 14 PHE H A 15 CYS H 1.0 . 4.47 1148 1007 A 14 PHE H A 30 GLY H 1.0 . 4.78 1149 1008 A 57 LYS H A 56 LYS H 1.0 . 2.98 1150 1009 A 70 ILE H A 69 ASN H 1.0 . 2.65 1151 1010 A 59 ILE H A 58 HIS H 1.0 . 2.78 1152 1011 A 84 PHE H A 83 THR H 1.0 . 4.72 1153 1012 A 12 ASN H A 12 ASN HD2x 1.0 . 5.11 1154 1013 A 13 LYS H A 12 ASN HD2x 1.0 . 5.03 1155 1014 A 119 THR H A 120 SER H 1.0 . 4.00 1156 1015 A 39 ILE H A 38 GLY H 1.0 . 3.54 1157 1016 A 20 ASN H A 20 ASN HD2x 1.0 . 4.39 1158 1017 A 55 GLN H A 56 LYS H 1.0 . 2.95 1159 1018 A 104 ASN H A 104 ASN HD2x 1.0 . 5.26 1160 1019 A 94 ALA H A 95 ILE H 1.0 . 3.16 1161 1020 A 112 TYR H A 112 TYR HD% 1.0 . 3.40 1162 1021 A 25 HIS H A 24 VAL H 1.0 . 2.86 1163 1022 A 96 CYS H A 95 ILE H 1.0 . 2.99 1164 1023 A 119 THR H A 4 LYS H 1.0 . 4.30 1165 1024 A 77 HIS H A 75 LEU H 1.0 . 5.03 1166 1025 A 51 TRP HD1 A 55 GLN HE2y 1.0 . 4.36 1167 1026 A 73 THR H A 72 SER H 1.0 . 3.02 1168 1027 A 78 CYS H A 79 LYS H 1.0 . 3.22 1169 1028 A 77 HIS H A 77 HIS HD2 1.0 . 5.13 1170 1029 A 77 HIS H A 79 LYS H 1.0 . 5.29 1171 1030 A 108 THR H A 111 PHE HZ 1.0 . 4.56 1172 1031 A 94 ALA H A 96 CYS H 1.0 . 4.74 1173 1032 A 109 SER H A 111 PHE HZ 1.0 . 4.05 1174 1033 A 25 HIS H A 54 PHE HE% 1.0 . 3.92 1175 1034 A 67 CYS H A 69 ASN H 1.0 . 4.52 1176 1035 A 117 ASN H A 117 ASN HD2x 1.0 . 4.92 1177 1036 A 84 PHE HD% A 59 ILE H 1.0 . 4.21 1178 1037 A 86 TYR HD% A 87 SER H 1.0 . 3.72 1179 1038 A 84 PHE HD% A 114 SER H 1.0 . 5.32 1180 1039 A 84 PHE HD% A 60 THR H 1.0 . 5.13 1181 1040 A 86 TYR HD% A 60 THR H 1.0 . 5.43 1182 1041 A 112 TYR H A 112 TYR HE% 1.0 . 5.50 1183 1042 A 86 TYR HD% A 62 THR H 1.0 . 3.96 1184 1043 A 84 PHE HD% A 85 ILE H 1.0 . 4.17 1185 1044 A 82 ASN H A 84 PHE HE% 1.0 . 5.50 1186 1045 A 14 PHE HD% A 16 VAL H 1.0 . 4.84 1187 1046 A 14 PHE HD% A 111 PHE H 1.0 . 4.71 1188 1047 A 14 PHE HD% A 30 GLY H 1.0 . 5.50 1189 1048 A 14 PHE HD% A 15 CYS H 1.0 . 4.27 1190 1049 A 76 PHE H A 75 LEU H 1.0 . 3.03 1191 1050 A 5 TYR HD% A 117 ASN H 1.0 . 4.57 1192 1051 A 5 TYR H A 5 TYR HD% 1.0 . 4.04 1193 1052 A 5 TYR HD% A 119 THR H 1.0 . 5.36 1194 1053 A 5 TYR HD% A 118 VAL H 1.0 . 3.59 1195 1054 A 86 TYR HE% A 87 SER H 1.0 . 5.46 1196 1055 A 5 TYR HD% A 82 ASN H 1.0 . 5.50 1197 1056 A 83 THR H A 26 PHE HD% 1.0 . 5.50 1198 1057 A 27 VAL H A 28 GLY H 1.0 . 2.92 1199 1058 A 14 PHE HE% A 107 THR H 1.0 . 5.31 1200 1059 A 51 TRP HE1 A 55 GLN HE2y 1.0 . 3.56 1201 1060 A 64 ASP H A 65 VAL H 1.0 . 3.92 1202 1061 A 56 LYS H A 55 GLN HE2y 1.0 . 5.50 1203 1062 A 58 HIS H A 58 HIS HD2 1.0 . 4.03 1204 1063 A 83 THR H A 82 ASN HD2y 1.0 . 5.33 1205 1064 A 104 ASN HD2y A 104 ASN HA 1.0 . 4.83 1206 1065 A 18 CYS H A 104 ASN HA 1.0 . 3.60 1207 1066 A 105 VAL H A 104 ASN HA 1.0 . 2.77 1208 1067 A 103 LYS H A 104 ASN HA 1.0 . 4.76 1209 1068 A 104 ASN HD2x A 104 ASN HA 1.0 . 4.65 1210 1069 A 106 LEU H A 15 CYS HA 1.0 . 4.65 1211 1070 A 16 VAL H A 15 CYS HA 1.0 . 2.45 1212 1071 A 14 PHE H A 15 CYS HA 1.0 . 5.05 1213 1072 A 118 VAL H A 117 ASN HA 1.0 . 2.50 1214 1073 A 80 ASP H A 81 LYS HA 1.0 . 5.33 1215 1074 A 82 ASN H A 81 LYS HA 1.0 . 2.43 1216 1075 A 117 ASN HD2y A 117 ASN HA 1.0 . 4.64 1217 1076 A 117 ASN HD2x A 117 ASN HA 1.0 . 4.64 1218 1077 A 83 THR H A 115 ASP HA 1.0 . 4.96 1219 1078 A 116 CYS H A 115 ASP HA 1.0 . 2.57 1220 1079 A 54 PHE H A 51 TRP HA 1.0 . 3.41 1221 1080 A 12 ASN H A 11 THR HA 1.0 . 2.50 1222 1081 A 111 PHE H A 11 THR HA 1.0 . 4.68 1223 1082 A 55 GLN H A 51 TRP HA 1.0 . 4.82 1224 1083 A 51 TRP HA A 53 THR H 1.0 . 4.54 1225 1084 A 86 TYR HA A 62 THR H 1.0 . 5.23 1226 1085 A 86 TYR HA A 85 ILE H 1.0 . 5.17 1227 1086 A 86 TYR HA A 87 SER H 1.0 . 2.43 1228 1087 A 86 TYR HA A 60 THR H 1.0 . 3.64 1229 1088 A 112 TYR H A 86 TYR HA 1.0 . 5.50 1230 1089 A 114 SER H A 113 LEU HA 1.0 . 2.57 1231 1090 A 8 LYS H A 7 LEU HA 1.0 . 2.56 1232 1091 A 117 ASN H A 116 CYS HA 1.0 . 2.58 1233 1092 A 10 SER H A 9 LYS HA 1.0 . 2.52 1234 1093 A 115 ASP H A 114 SER HA 1.0 . 2.58 1235 1094 A 24 VAL H A 18 CYS HA 1.0 . 3.54 1236 1095 A 59 ILE HA A 87 SER H 1.0 . 5.50 1237 1096 A 19 GLU H A 18 CYS HA 1.0 . 2.42 1238 1097 A 85 ILE H A 59 ILE HA 1.0 . 3.22 1239 1098 A 59 ILE HA A 60 THR H 1.0 . 2.48 1240 1099 A 18 CYS HA A 22 ALA H 1.0 . 3.92 1241 1100 A 27 VAL H A 16 VAL HA 1.0 . 2.86 1242 1101 A 16 VAL HA A 28 GLY H 1.0 . 4.30 1243 1102 A 103 LYS H A 102 SER HA 1.0 . 2.55 1244 1103 A 102 SER H A 102 SER HA 1.0 . 2.78 1245 1104 A 18 CYS H A 17 THR HA 1.0 . 2.49 1246 1105 A 104 ASN H A 17 THR HA 1.0 . 4.28 1247 1106 A 30 GLY H A 14 PHE HA 1.0 . 2.84 1248 1107 A 14 PHE HA A 31 SER H 1.0 . 4.27 1249 1108 A 104 ASN HD2y A 17 THR HA 1.0 . 5.50 1250 1109 A 111 PHE H A 12 ASN HA 1.0 . 4.42 1251 1110 A 13 LYS H A 12 ASN HA 1.0 . 2.61 1252 1111 A 12 ASN HD2x A 12 ASN HA 1.0 . 4.23 1253 1112 A 112 TYR HA A 113 LEU H 1.0 . 2.51 1254 1113 A 50 ASP HA A 53 THR H 1.0 . 5.06 1255 1114 A 54 PHE H A 50 ASP HA 1.0 . 5.50 1256 1115 A 51 TRP H A 50 ASP HA 1.0 . 2.73 1257 1116 A 9 LYS H A 8 LYS HA 1.0 . 2.61 1258 1117 A 11 THR H A 10 SER HA 1.0 . 2.65 1259 1118 A 5 TYR HA A 118 VAL H 1.0 . 4.68 1260 1119 A 5 TYR HA A 119 THR H 1.0 . 3.02 1261 1120 A 5 TYR HA A 117 ASN H 1.0 . 4.97 1262 1121 A 5 TYR H A 4 LYS HA 1.0 . 2.56 1263 1122 A 90 GLU H A 88 ARG HA 1.0 . 4.22 1264 1123 A 96 CYS HA A 95 ILE H 1.0 . 5.50 1265 1124 A 54 PHE H A 55 GLN HE2x 1.0 . 4.46 1266 1125 A 42 GLU H A 40 PHE HA 1.0 . 3.69 1267 1126 A 70 ILE H A 69 ASN HA 1.0 . 3.53 1268 1127 A 71 MET H A 69 ASN HA 1.0 . 4.47 1269 1128 A 55 GLN HE2x A 56 LYS H 1.0 . 5.01 1270 1129 A 34 SER H A 33 GLY HAx 1.0 . 2.40 1271 1129 A 34 SER H A 33 GLY HAy 1.0 . 2.40 1272 1130 A 69 ASN HD2y A 69 ASN HA 1.0 . 5.06 1273 1131 A 51 TRP H A 24 VAL HA 1.0 . 4.34 1274 1132 A 110 GLU H A 109 SER HA 1.0 . 2.45 1275 1133 A 68 ASP H A 67 CYS HA 1.0 . 3.36 1276 1134 A 107 THR H A 106 LEU HA 1.0 . 2.42 1277 1135 A 105 VAL H A 106 LEU HA 1.0 . 5.03 1278 1136 A 67 CYS H A 67 CYS HA 1.0 . 2.43 1279 1137 A 84 PHE HA A 114 SER H 1.0 . 5.18 1280 1138 A 14 PHE H A 107 THR HB 1.0 . 3.29 1281 1139 A 78 CYS H A 78 CYS HA 1.0 . 2.73 1282 1140 A 112 TYR H A 111 PHE HA 1.0 . 2.69 1283 1141 A 19 GLU H A 23 PRO HA 1.0 . 3.53 1284 1142 A 84 PHE HA A 85 ILE H 1.0 . 2.70 1285 1143 A 83 THR H A 82 ASN HA 1.0 . 2.53 1286 1144 A 116 CYS H A 83 THR HA 1.0 . 4.19 1287 1145 A 79 LYS H A 78 CYS HA 1.0 . 3.32 1288 1146 A 84 PHE H A 83 THR HA 1.0 . 2.64 1289 1147 A 62 THR HA A 63 ARG H 1.0 . 2.72 1290 1148 A 92 VAL H A 89 PRO HA 1.0 . 3.84 1291 1149 A 61 ASN H A 62 THR HA 1.0 . 5.19 1292 1150 A 120 SER H A 119 THR HA 1.0 . 2.59 1293 1151 A 95 ILE H A 91 PRO HA 1.0 . 4.52 1294 1152 A 39 ILE H A 37 SER HA 1.0 . 4.76 1295 1153 A 4 LYS H A 3 CYS HA 1.0 . 2.90 1296 1154 A 32 CYS H A 31 SER HA 1.0 . 2.81 1297 1155 A 38 GLY H A 37 SER HA 1.0 . 3.03 1298 1156 A 27 VAL H A 26 PHE HA 1.0 . 2.68 1299 1157 A 40 PHE H A 41 LEU HA 1.0 . 4.52 1300 1158 A 88 ARG H A 87 SER HA 1.0 . 2.74 1301 1159 A 47 ALA HA A 48 GLY H 1.0 . 2.72 1302 1160 A 104 ASN H A 103 LYS HA 1.0 . 2.40 1303 1161 A 25 HIS H A 26 PHE HA 1.0 . 5.01 1304 1162 A 18 CYS H A 103 LYS HA 1.0 . 5.07 1305 1163 A 20 ASN H A 20 ASN HA 1.0 . 2.65 1306 1164 A 80 ASP H A 79 LYS HA 1.0 . 2.66 1307 1165 A 85 ILE HA A 60 THR H 1.0 . 5.34 1308 1166 A 70 ILE H A 68 ASP HA 1.0 . 4.74 1309 1167 A 20 ASN HA A 20 ASN HD2x 1.0 . 4.81 1310 1168 A 20 ASN HA A 20 ASN HD2y 1.0 . 4.58 1311 1169 A 86 TYR H A 85 ILE HA 1.0 . 2.68 1312 1170 A 114 SER H A 85 ILE HA 1.0 . 4.06 1313 1171 A 30 GLY H A 29 VAL HA 1.0 . 2.58 1314 1172 A 90 GLU HA A 92 VAL H 1.0 . 4.11 1315 1173 A 20 ASN H A 19 GLU HA 1.0 . 2.60 1316 1174 A 103 LYS H A 19 GLU HA 1.0 . 4.67 1317 1175 A 16 VAL H A 105 VAL HA 1.0 . 5.50 1318 1176 A 111 PHE H A 110 GLU HA 1.0 . 2.62 1319 1177 A 13 LYS H A 110 GLU HA 1.0 . 4.22 1320 1178 A 73 THR H A 72 SER HBy 1.0 . 5.08 1321 1179 A 106 LEU H A 105 VAL HA 1.0 . 2.40 1322 1180 A 40 PHE H A 39 ILE HA 1.0 . 2.52 1323 1181 A 57 LYS HA A 82 ASN HD2y 1.0 . 5.50 1324 1182 A 21 GLN HE2x A 21 GLN HA 1.0 . 4.95 1325 1183 A 76 PHE H A 74 ASN HA 1.0 . 4.31 1326 1184 A 108 THR H A 107 THR HA 1.0 . 2.64 1327 1185 A 14 PHE H A 107 THR HA 1.0 . 5.11 1328 1186 A 21 GLN H A 21 GLN HA 1.0 . 2.59 1329 1187 A 99 ILE H A 99 ILE HA 1.0 . 2.90 1330 1188 A 21 GLN HA A 22 ALA H 1.0 . 3.20 1331 1189 A 100 ILE H A 99 ILE HA 1.0 . 2.42 1332 1190 A 61 ASN H A 62 THR HB 1.0 . 5.38 1333 1191 A 59 ILE H A 56 LYS HA 1.0 . 4.32 1334 1192 A 12 ASN H A 11 THR HB 1.0 . 4.49 1335 1193 A 62 THR HB A 63 ARG H 1.0 . 4.74 1336 1194 A 88 ARG H A 91 PRO HDx 1.0 . 3.63 1337 1195 A 90 GLU H A 91 PRO HDx 1.0 . 2.68 1338 1196 A 32 CYS H A 31 SER HBy 1.0 . 4.04 1339 1197 A 35 GLY H A 35 GLY HAx 1.0 . 2.82 1340 1197 A 35 GLY H A 35 GLY HAy 1.0 . 2.82 1341 1198 A 115 ASP H A 10 SER HB2 1.0 . 4.99 1342 1198 A 115 ASP H A 10 SER HB3 1.0 . 4.99 1343 1199 A 115 ASP H A 114 SER HBx 1.0 . 5.32 1344 1200 A 51 TRP H A 49 SER HBx 1.0 . 5.50 1345 1200 A 51 TRP H A 49 SER HBy 1.0 . 5.50 1346 1201 A 114 SER H A 114 SER HBx 1.0 . 3.79 1347 1202 A 104 ASN HD2y A 92 VAL HA 1.0 . 5.50 1348 1203 A 95 ILE H A 94 ALA HA 1.0 . 3.43 1349 1204 A 10 SER H A 10 SER HB2 1.0 . 3.57 1350 1204 A 10 SER H A 10 SER HB3 1.0 . 3.57 1351 1205 A 12 ASN HD2y A 10 SER HB2 1.0 . 4.54 1352 1205 A 10 SER HB3 A 12 ASN HD2y 1.0 . 4.54 1353 1206 A 12 ASN HD2x A 10 SER HB2 1.0 . 4.42 1354 1206 A 12 ASN HD2x A 10 SER HB3 1.0 . 4.42 1355 1207 A 97 LYS HA A 97 LYS H 1.0 . 2.90 1356 1208 A 42 GLU H A 44 SER HBx 1.0 . 5.22 1357 1208 A 42 GLU H A 44 SER HBy 1.0 . 5.22 1358 1209 A 98 GLY H A 97 LYS HA 1.0 . 2.42 1359 1210 A 47 ALA H A 46 SER HBx 1.0 . 3.27 1360 1210 A 46 SER HBy A 47 ALA H 1.0 . 3.27 1361 1211 A 45 LEU H A 44 SER HBx 1.0 . 4.15 1362 1211 A 45 LEU H A 44 SER HBy 1.0 . 4.15 1363 1212 A 46 SER H A 46 SER HBx 1.0 . 2.86 1364 1212 A 46 SER H A 46 SER HBy 1.0 . 2.86 1365 1213 A 21 GLN HE2x A 100 ILE HA 1.0 . 4.92 1366 1214 A 100 ILE HA A 21 GLN HE2y 1.0 . 5.45 1367 1215 A 20 ASN H A 100 ILE HA 1.0 . 2.87 1368 1216 A 120 SER H A 120 SER HBx 1.0 . 3.15 1369 1216 A 120 SER H A 120 SER HBy 1.0 . 3.15 1370 1217 A 18 CYS H A 17 THR HB 1.0 . 4.43 1371 1218 A 52 LEU HA A 55 GLN HE2y 1.0 . 3.37 1372 1219 A 61 ASN H A 60 THR HB 1.0 . 3.89 1373 1220 A 85 ILE H A 114 SER HBy 1.0 . 5.39 1374 1221 A 52 LEU H A 52 LEU HA 1.0 . 2.89 1375 1222 A 60 THR HB A 60 THR H 1.0 . 3.61 1376 1223 A 114 SER H A 114 SER HBy 1.0 . 3.17 1377 1224 A 53 THR HB A 53 THR H 1.0 . 3.62 1378 1225 A 57 LYS H A 53 THR HB 1.0 . 5.19 1379 1226 A 115 ASP H A 114 SER HBy 1.0 . 4.59 1380 1227 A 88 ARG H A 91 PRO HDy 1.0 . 4.63 1381 1228 A 54 PHE H A 54 PHE HBy 1.0 . 2.77 1382 1229 A 32 CYS H A 31 SER HBx 1.0 . 4.04 1383 1230 A 94 ALA H A 95 ILE HA 1.0 . 5.18 1384 1231 A 71 MET H A 2 PRO HDx 1.0 . 4.14 1385 1232 A 2 PRO HDx A 69 ASN H 1.0 . 4.90 1386 1233 A 109 SER H A 109 SER HBx 1.0 . 2.89 1387 1233 A 109 SER H A 109 SER HBy 1.0 . 2.89 1388 1234 A 108 THR H A 109 SER HBx 1.0 . 4.47 1389 1234 A 108 THR H A 109 SER HBy 1.0 . 4.47 1390 1235 A 103 LYS H A 102 SER HBx 1.0 . 4.06 1391 1235 A 103 LYS H A 102 SER HBy 1.0 . 4.06 1392 1236 A 6 LYS H A 118 VAL HA 1.0 . 4.16 1393 1237 A 119 THR H A 118 VAL HA 1.0 . 2.52 1394 1238 A 112 TYR H A 112 TYR HBx 1.0 . 2.90 1395 1239 A 58 HIS H A 55 GLN HA 1.0 . 4.32 1396 1240 A 59 ILE H A 55 GLN HA 1.0 . 4.18 1397 1241 A 13 LYS H A 30 GLY HAx 1.0 . 4.03 1398 1241 A 13 LYS H A 30 GLY HAy 1.0 . 4.03 1399 1242 A 30 GLY H A 30 GLY HAx 1.0 . 2.73 1400 1242 A 30 GLY H A 30 GLY HAy 1.0 . 2.73 1401 1243 A 12 ASN HD2y A 30 GLY HAx 1.0 . 4.65 1402 1243 A 12 ASN HD2y A 30 GLY HAy 1.0 . 4.65 1403 1244 A 12 ASN HD2x A 30 GLY HAx 1.0 . 5.08 1404 1244 A 12 ASN HD2x A 30 GLY HAy 1.0 . 5.08 1405 1245 A 31 SER H A 30 GLY HAx 1.0 . 3.43 1406 1245 A 31 SER H A 30 GLY HAy 1.0 . 3.43 1407 1246 A 111 PHE H A 111 PHE HBy 1.0 . 3.92 1408 1247 A 112 TYR H A 111 PHE HBy 1.0 . 2.93 1409 1248 A 78 CYS H A 77 HIS HBx 1.0 . 4.03 1410 1248 A 78 CYS H A 77 HIS HBy 1.0 . 4.03 1411 1249 A 78 CYS H A 78 CYS HBx 1.0 . 4.18 1412 1250 A 25 HIS H A 25 HIS HBy 1.0 . 3.47 1413 1251 A 51 TRP HBy A 24 VAL H 1.0 . 5.50 1414 1252 A 15 CYS HBy A 28 GLY H 1.0 . 3.06 1415 1253 A 16 VAL H A 15 CYS HBy 1.0 . 4.26 1416 1254 A 87 SER H A 87 SER HBx 1.0 . 3.20 1417 1254 A 87 SER HBy A 87 SER H 1.0 . 3.20 1418 1255 A 77 HIS H A 77 HIS HBx 1.0 . 3.22 1419 1255 A 77 HIS H A 77 HIS HBy 1.0 . 3.22 1420 1256 A 104 ASN HD2y A 23 PRO HDy 1.0 . 4.79 1421 1257 A 33 GLY H A 32 CYS HBy 1.0 . 4.72 1422 1258 A 54 PHE H A 54 PHE HBx 1.0 . 2.83 1423 1259 A 93 LYS H A 23 PRO HDy 1.0 . 5.50 1424 1260 A 95 ILE H A 23 PRO HDy 1.0 . 5.10 1425 1261 A 32 CYS H A 32 CYS HBy 1.0 . 3.66 1426 1262 A 94 ALA H A 23 PRO HDy 1.0 . 5.50 1427 1263 A 96 CYS H A 23 PRO HDy 1.0 . 4.36 1428 1264 A 54 PHE HBx A 53 THR H 1.0 . 5.22 1429 1265 A 66 ASP H A 65 VAL HA 1.0 . 2.40 1430 1266 A 64 ASP H A 65 VAL HA 1.0 . 5.10 1431 1267 A 20 ASN H A 20 ASN HBy 1.0 . 4.16 1432 1268 A 12 ASN H A 12 ASN HBx 1.0 . 4.13 1433 1269 A 13 LYS H A 12 ASN HBx 1.0 . 3.09 1434 1270 A 30 GLY H A 12 ASN HBx 1.0 . 4.53 1435 1271 A 11 THR H A 12 ASN HBx 1.0 . 5.50 1436 1272 A 62 THR H A 61 ASN HBy 1.0 . 4.51 1437 1273 A 61 ASN HD2y A 61 ASN HBy 1.0 . 4.09 1438 1274 A 111 PHE H A 111 PHE HBx 1.0 . 3.10 1439 1275 A 25 HIS H A 25 HIS HBx 1.0 . 3.45 1440 1276 A 78 CYS H A 76 PHE HBx 1.0 . 4.50 1441 1276 A 78 CYS H A 76 PHE HBy 1.0 . 4.50 1442 1277 A 24 VAL H A 25 HIS HBx 1.0 . 4.88 1443 1278 A 7 LEU H A 6 LYS HE2 1.0 . 5.50 1444 1278 A 7 LEU H A 6 LYS HE3 1.0 . 5.50 1445 1279 A 71 MET H A 76 PHE HBx 1.0 . 4.74 1446 1279 A 71 MET H A 76 PHE HBy 1.0 . 4.74 1447 1280 A 77 HIS H A 76 PHE HBx 1.0 . 4.05 1448 1280 A 77 HIS H A 76 PHE HBy 1.0 . 4.05 1449 1281 A 76 PHE H A 76 PHE HBx 1.0 . 3.03 1450 1281 A 76 PHE H A 76 PHE HBy 1.0 . 3.03 1451 1282 A 73 THR H A 76 PHE HBx 1.0 . 3.99 1452 1282 A 73 THR H A 76 PHE HBy 1.0 . 3.99 1453 1283 A 14 PHE HBx A 28 GLY H 1.0 . 5.24 1454 1284 A 85 ILE H A 84 PHE HBx 1.0 . 4.28 1455 1285 A 83 THR H A 81 LYS HEx 1.0 . 5.50 1456 1285 A 83 THR H A 81 LYS HEy 1.0 . 5.50 1457 1286 A 114 SER H A 84 PHE HBx 1.0 . 3.87 1458 1287 A 82 ASN H A 81 LYS HEx 1.0 . 5.50 1459 1287 A 82 ASN H A 81 LYS HEy 1.0 . 5.50 1460 1288 A 98 GLY H A 97 LYS HEx 1.0 . 5.46 1461 1288 A 98 GLY H A 97 LYS HEy 1.0 . 5.46 1462 1289 A 96 CYS H A 96 CYS HBy 1.0 . 3.74 1463 1290 A 95 ILE H A 93 LYS HA 1.0 . 4.03 1464 1291 A 119 THR H A 3 CYS HBx 1.0 . 5.50 1465 1292 A 56 LYS H A 56 LYS HEx 1.0 . 4.67 1466 1292 A 56 LYS H A 56 LYS HEy 1.0 . 4.67 1467 1293 A 66 ASP HBy A 69 ASN H 1.0 . 3.79 1468 1294 A 33 GLY H A 32 CYS HBx 1.0 . 4.72 1469 1295 A 118 VAL H A 80 ASP HBx 1.0 . 4.36 1470 1295 A 118 VAL H A 80 ASP HBy 1.0 . 4.36 1471 1296 A 75 LEU H A 74 ASN HBx 1.0 . 3.73 1472 1296 A 75 LEU H A 74 ASN HBy 1.0 . 3.73 1473 1297 A 62 THR H A 61 ASN HBx 1.0 . 4.51 1474 1298 A 74 ASN HD2y A 74 ASN HBx 1.0 . 3.71 1475 1298 A 74 ASN HBy A 74 ASN HD2y 1.0 . 3.71 1476 1299 A 74 ASN HD2x A 74 ASN HBx 1.0 . 3.71 1477 1299 A 74 ASN HBy A 74 ASN HD2x 1.0 . 3.71 1478 1300 A 32 CYS H A 32 CYS HBx 1.0 . 3.66 1479 1301 A 80 ASP H A 80 ASP HBx 1.0 . 2.86 1480 1301 A 80 ASP H A 80 ASP HBy 1.0 . 2.86 1481 1302 A 18 CYS H A 18 CYS HBy 1.0 . 3.49 1482 1303 A 18 CYS H A 104 ASN HBx 1.0 . 3.28 1483 1304 A 104 ASN H A 104 ASN HBx 1.0 . 2.78 1484 1305 A 63 ARG H A 63 ARG HDx 1.0 . 4.75 1485 1305 A 63 ARG HDy A 63 ARG H 1.0 . 4.75 1486 1306 A 105 VAL H A 104 ASN HBx 1.0 . 4.01 1487 1307 A 104 ASN HBx A 104 ASN HD2x 1.0 . 3.00 1488 1308 A 104 ASN HBx A 104 ASN HD2y 1.0 . 4.04 1489 1309 A 21 GLN H A 20 ASN HBx 1.0 . 4.63 1490 1310 A 117 ASN H A 117 ASN HBx 1.0 . 2.94 1491 1311 A 117 ASN HBx A 117 ASN HD2x 1.0 . 3.71 1492 1312 A 117 ASN HBx A 117 ASN HD2y 1.0 . 3.71 1493 1313 A 20 ASN H A 20 ASN HBx 1.0 . 4.16 1494 1314 A 82 ASN H A 116 CYS HBy 1.0 . 4.35 1495 1315 A 30 GLY H A 12 ASN HBy 1.0 . 5.50 1496 1316 A 12 ASN H A 12 ASN HBy 1.0 . 3.98 1497 1317 A 12 ASN HBy A 11 THR H 1.0 . 4.81 1498 1318 A 86 TYR HBx A 87 SER H 1.0 . 4.83 1499 1319 A 5 TYR H A 5 TYR HBx 1.0 . 2.98 1500 1320 A 59 ILE H A 58 HIS HBy 1.0 . 4.78 1501 1321 A 93 LYS H A 92 VAL HB 1.0 . 3.01 1502 1322 A 94 ALA H A 92 VAL HB 1.0 . 5.50 1503 1323 A 92 VAL H A 92 VAL HB 1.0 . 2.67 1504 1324 A 69 ASN HD2x A 69 ASN HBx 1.0 . 3.02 1505 1324 A 69 ASN HD2x A 69 ASN HBy 1.0 . 3.02 1506 1325 A 69 ASN HD2y A 69 ASN HBx 1.0 . 3.42 1507 1325 A 69 ASN HD2y A 69 ASN HBy 1.0 . 3.42 1508 1326 A 69 ASN H A 69 ASN HBx 1.0 . 2.85 1509 1326 A 69 ASN H A 69 ASN HBy 1.0 . 2.85 1510 1327 A 18 CYS H A 18 CYS HBx 1.0 . 3.49 1511 1328 A 85 ILE H A 84 PHE HBy 1.0 . 3.37 1512 1329 A 5 TYR HBy A 117 ASN H 1.0 . 3.55 1513 1330 A 114 SER H A 84 PHE HBy 1.0 . 4.71 1514 1331 A 84 PHE HBy A 60 THR H 1.0 . 4.73 1515 1332 A 83 THR H A 83 THR HB 1.0 . 2.84 1516 1333 A 67 CYS H A 66 ASP HBx 1.0 . 4.41 1517 1334 A 116 CYS H A 115 ASP HBy 1.0 . 3.26 1518 1335 A 66 ASP H A 66 ASP HBx 1.0 . 3.05 1519 1336 A 82 ASN H A 116 CYS HBx 1.0 . 4.35 1520 1337 A 64 ASP H A 64 ASP HBy 1.0 . 3.33 1521 1338 A 104 ASN H A 104 ASN HBy 1.0 . 3.30 1522 1339 A 105 VAL H A 104 ASN HBy 1.0 . 3.53 1523 1340 A 16 VAL H A 104 ASN HBy 1.0 . 5.27 1524 1341 A 104 ASN HD2x A 104 ASN HBy 1.0 . 3.26 1525 1342 A 104 ASN HD2y A 104 ASN HBy 1.0 . 3.76 1526 1343 A 41 LEU H A 42 GLU HGx 1.0 . 5.50 1527 1343 A 42 GLU HGy A 41 LEU H 1.0 . 5.50 1528 1344 A 45 LEU H A 42 GLU HGx 1.0 . 5.50 1529 1344 A 42 GLU HGy A 45 LEU H 1.0 . 5.50 1530 1345 A 51 TRP HE1 A 93 LYS HEx 1.0 . 4.49 1531 1346 A 58 HIS H A 59 ILE HB 1.0 . 4.46 1532 1347 A 21 GLN HGy A 97 LYS H 1.0 . 5.50 1533 1348 A 59 ILE H A 59 ILE HB 1.0 . 2.96 1534 1349 A 80 ASP H A 79 LYS HBx 1.0 . 3.01 1535 1349 A 80 ASP H A 79 LYS HBy 1.0 . 3.01 1536 1350 A 59 ILE HB A 60 THR H 1.0 . 4.39 1537 1351 A 79 LYS H A 79 LYS HBx 1.0 . 2.93 1538 1351 A 79 LYS H A 79 LYS HBy 1.0 . 2.93 1539 1352 A 81 LYS H A 79 LYS HBx 1.0 . 4.04 1540 1352 A 81 LYS H A 79 LYS HBy 1.0 . 4.04 1541 1353 A 21 GLN HGy A 21 GLN H 1.0 . 3.98 1542 1354 A 56 LYS H A 59 ILE HB 1.0 . 5.25 1543 1355 A 13 LYS H A 110 GLU HGx 1.0 . 3.66 1544 1356 A 92 VAL H A 91 PRO HGx 1.0 . 3.45 1545 1357 A 15 CYS HBx A 28 GLY H 1.0 . 4.18 1546 1358 A 15 CYS HBx A 16 VAL H 1.0 . 4.44 1547 1359 A 24 VAL HB A 50 ASP H 1.0 . 4.54 1548 1360 A 15 CYS HBx A 15 CYS H 1.0 . 3.29 1549 1361 A 30 GLY H A 29 VAL HB 1.0 . 4.24 1550 1362 A 12 ASN HD2x A 29 VAL HB 1.0 . 5.48 1551 1363 A 12 ASN HD2y A 29 VAL HB 1.0 . 4.54 1552 1364 A 15 CYS HBx A 31 SER H 1.0 . 4.19 1553 1365 A 27 VAL H A 16 VAL HB 1.0 . 4.53 1554 1366 A 25 HIS H A 16 VAL HB 1.0 . 3.76 1555 1367 A 82 ASN H A 82 ASN HBy 1.0 . 3.75 1556 1368 A 118 VAL HB A 120 SER H 1.0 . 5.50 1557 1369 A 98 GLY H A 21 GLN HGx 1.0 . 3.43 1558 1370 A 118 VAL HB A 118 VAL H 1.0 . 3.01 1559 1371 A 21 GLN HGx A 21 GLN HE2y 1.0 . 4.00 1560 1372 A 113 LEU HBx A 113 LEU H 1.0 . 2.72 1561 1373 A 113 LEU HBx A 12 ASN H 1.0 . 3.29 1562 1374 A 79 LYS H A 79 LYS HDy 1.0 . 4.65 1563 1375 A 20 ASN HD2x A 19 GLU HBy 1.0 . 4.53 1564 1376 A 100 ILE H A 100 ILE HB 1.0 . 2.93 1565 1377 A 92 VAL H A 91 PRO HBx 1.0 . 3.91 1566 1378 A 100 ILE HB A 20 ASN HD2y 1.0 . 5.22 1567 1379 A 88 ARG H A 88 ARG HGx 1.0 . 2.85 1568 1379 A 88 ARG HGy A 88 ARG H 1.0 . 2.85 1569 1380 A 19 GLU HBx A 102 SER H 1.0 . 5.03 1570 1381 A 85 ILE HB A 87 SER H 1.0 . 5.17 1571 1382 A 3 CYS H A 2 PRO HBx 1.0 . 3.96 1572 1383 A 9 LYS H A 9 LYS HB2 1.0 . 2.91 1573 1383 A 9 LYS H A 9 LYS HB3 1.0 . 2.91 1574 1384 A 86 TYR H A 85 ILE HB 1.0 . 4.73 1575 1385 A 85 ILE H A 85 ILE HB 1.0 . 2.90 1576 1386 A 85 ILE HB A 60 THR H 1.0 . 4.31 1577 1387 A 10 SER H A 9 LYS HB2 1.0 . 3.33 1578 1387 A 10 SER H A 9 LYS HB3 1.0 . 3.33 1579 1388 A 82 ASN H A 81 LYS HBx 1.0 . 2.95 1580 1389 A 18 CYS H A 103 LYS HBy 1.0 . 5.50 1581 1390 A 52 LEU H A 52 LEU HBx 1.0 . 2.62 1582 1391 A 116 CYS H A 81 LYS HBx 1.0 . 4.24 1583 1392 A 52 LEU HBx A 53 THR H 1.0 . 3.70 1584 1393 A 106 LEU HG A 108 THR H 1.0 . 5.50 1585 1394 A 106 LEU HG A 31 SER H 1.0 . 5.05 1586 1395 A 58 HIS H A 58 HIS HBx 1.0 . 4.03 1587 1396 A 104 ASN H A 103 LYS HBy 1.0 . 4.24 1588 1397 A 117 ASN H A 6 LYS HD2 1.0 . 4.11 1589 1397 A 6 LYS HD3 A 117 ASN H 1.0 . 4.11 1590 1398 A 120 SER H A 6 LYS HD2 1.0 . 5.50 1591 1398 A 6 LYS HD3 A 120 SER H 1.0 . 5.50 1592 1399 A 99 ILE H A 99 ILE HB 1.0 . 2.63 1593 1400 A 32 CYS H A 106 LEU HBy 1.0 . 5.50 1594 1401 A 106 LEU H A 106 LEU HBy 1.0 . 2.68 1595 1402 A 39 ILE HB A 39 ILE H 1.0 . 2.86 1596 1403 A 4 LYS HBy A 4 LYS H 1.0 . 3.75 1597 1404 A 90 GLU H A 88 ARG HBx 1.0 . 3.67 1598 1405 A 55 GLN HE2y A 55 GLN HBx 1.0 . 3.97 1599 1406 A 54 PHE H A 55 GLN HBx 1.0 . 5.26 1600 1407 A 5 TYR H A 4 LYS HBy 1.0 . 3.29 1601 1408 A 55 GLN H A 55 GLN HBx 1.0 . 2.72 1602 1409 A 79 LYS H A 79 LYS HGy 1.0 . 2.70 1603 1410 A 13 LYS H A 110 GLU HBy 1.0 . 4.61 1604 1411 A 25 HIS H A 23 PRO HGx 1.0 . 5.50 1605 1412 A 25 HIS H A 45 LEU HBx 1.0 . 5.50 1606 1412 A 25 HIS H A 45 LEU HBy 1.0 . 5.50 1607 1413 A 52 LEU HBy A 53 THR H 1.0 . 3.05 1608 1414 A 23 PRO HGx A 104 ASN HD2y 1.0 . 5.50 1609 1415 A 18 CYS H A 103 LYS HBx 1.0 . 5.50 1610 1416 A 70 ILE HB A 76 PHE H 1.0 . 5.50 1611 1417 A 41 LEU H A 41 LEU HBx 1.0 . 2.52 1612 1417 A 41 LEU H A 41 LEU HBy 1.0 . 2.52 1613 1418 A 42 GLU H A 41 LEU HBx 1.0 . 3.28 1614 1418 A 42 GLU H A 41 LEU HBy 1.0 . 3.28 1615 1419 A 70 ILE HB A 75 LEU H 1.0 . 4.47 1616 1420 A 75 LEU H A 73 THR HG2% 1.0 . 4.79 1617 1421 A 73 THR H A 73 THR HG2% 1.0 . 2.92 1618 1422 A 5 TYR H A 4 LYS HBx 1.0 . 4.26 1619 1423 A 4 LYS H A 4 LYS HBx 1.0 . 3.10 1620 1424 A 119 THR H A 4 LYS HBx 1.0 . 4.26 1621 1425 A 95 ILE H A 94 ALA HB% 1.0 . 3.25 1622 1426 A 94 ALA H A 94 ALA HB% 1.0 . 2.40 1623 1427 A 13 LYS H A 13 LYS HBy 1.0 . 2.83 1624 1428 A 14 PHE H A 13 LYS HBy 1.0 . 3.57 1625 1429 A 96 CYS H A 94 ALA HB% 1.0 . 4.45 1626 1430 A 117 ASN H A 6 LYS HG2 1.0 . 4.60 1627 1430 A 6 LYS HG3 A 117 ASN H 1.0 . 4.60 1628 1431 A 107 THR H A 106 LEU HBx 1.0 . 4.17 1629 1432 A 49 SER H A 47 ALA HB% 1.0 . 4.65 1630 1433 A 31 SER H A 106 LEU HBx 1.0 . 5.15 1631 1434 A 48 GLY H A 47 ALA HB% 1.0 . 3.33 1632 1435 A 100 ILE HG1x A 100 ILE H 1.0 . 3.75 1633 1436 A 100 ILE H A 101 ALA HB% 1.0 . 4.08 1634 1437 A 106 LEU H A 106 LEU HBx 1.0 . 2.86 1635 1438 A 47 ALA H A 47 ALA HB% 1.0 . 2.67 1636 1439 A 101 ALA H A 101 ALA HB% 1.0 . 2.41 1637 1440 A 32 CYS H A 106 LEU HBx 1.0 . 4.57 1638 1441 A 100 ILE HG1x A 21 GLN HE2y 1.0 . 4.84 1639 1442 A 117 ASN HD2y A 8 LYS HG2 1.0 . 4.58 1640 1442 A 8 LYS HG3 A 117 ASN HD2y 1.0 . 4.58 1641 1443 A 100 ILE HG1x A 20 ASN H 1.0 . 4.83 1642 1444 A 63 ARG HBx A 63 ARG H 1.0 . 3.36 1643 1445 A 116 CYS H A 8 LYS HG2 1.0 . 5.50 1644 1445 A 116 CYS H A 8 LYS HG3 1.0 . 5.50 1645 1446 A 46 SER H A 47 ALA HB% 1.0 . 5.14 1646 1447 A 118 VAL H A 81 LYS HGx 1.0 . 4.60 1647 1447 A 118 VAL H A 81 LYS HGy 1.0 . 4.60 1648 1448 A 115 ASP H A 8 LYS HG2 1.0 . 4.24 1649 1448 A 115 ASP H A 8 LYS HG3 1.0 . 4.24 1650 1449 A 104 ASN H A 103 LYS HGx 1.0 . 2.86 1651 1449 A 104 ASN H A 103 LYS HGy 1.0 . 2.86 1652 1450 A 59 ILE HG1x A 60 THR H 1.0 . 4.42 1653 1451 A 82 ASN H A 81 LYS HGx 1.0 . 4.08 1654 1451 A 82 ASN H A 81 LYS HGy 1.0 . 4.08 1655 1452 A 57 LYS H A 57 LYS HBy 1.0 . 3.42 1656 1453 A 58 HIS H A 57 LYS HBy 1.0 . 3.93 1657 1454 A 18 CYS H A 103 LYS HGx 1.0 . 4.96 1658 1454 A 18 CYS H A 103 LYS HGy 1.0 . 4.96 1659 1455 A 66 ASP H A 65 VAL HB 1.0 . 4.24 1660 1456 A 105 VAL H A 103 LYS HGx 1.0 . 5.50 1661 1456 A 105 VAL H A 103 LYS HGy 1.0 . 5.50 1662 1457 A 80 ASP H A 81 LYS HGx 1.0 . 5.01 1663 1457 A 81 LYS HGy A 80 ASP H 1.0 . 5.01 1664 1458 A 59 ILE H A 59 ILE HG1x 1.0 . 3.99 1665 1459 A 55 GLN HE2y A 55 GLN HGx 1.0 . 3.28 1666 1459 A 55 GLN HGy A 55 GLN HE2y 1.0 . 3.28 1667 1460 A 40 PHE H A 39 ILE HG1y 1.0 . 5.12 1668 1461 A 55 GLN H A 55 GLN HGx 1.0 . 2.71 1669 1461 A 55 GLN H A 55 GLN HGy 1.0 . 2.71 1670 1462 A 108 THR H A 108 THR HG2% 1.0 . 3.01 1671 1463 A 53 THR HG2% A 54 PHE H 1.0 . 4.68 1672 1464 A 54 PHE H A 55 GLN HGx 1.0 . 5.07 1673 1464 A 54 PHE H A 55 GLN HGy 1.0 . 5.07 1674 1465 A 99 ILE H A 99 ILE HG1y 1.0 . 3.06 1675 1466 A 95 ILE HG1y A 95 ILE H 1.0 . 2.91 1676 1467 A 53 THR HG2% A 53 THR H 1.0 . 3.50 1677 1468 A 93 LYS H A 92 VAL HG2% 1.0 . 3.90 1678 1469 A 24 VAL H A 23 PRO HBy 1.0 . 4.55 1679 1470 A 90 GLU H A 92 VAL HG2% 1.0 . 4.55 1680 1471 A 43 THR H A 43 THR HG2% 1.0 . 3.85 1681 1472 A 100 ILE HG1y A 100 ILE H 1.0 . 3.31 1682 1473 A 21 GLN H A 100 ILE HG1y 1.0 . 5.50 1683 1474 A 27 VAL HB A 28 GLY H 1.0 . 2.81 1684 1475 A 23 PRO HBy A 22 ALA H 1.0 . 5.50 1685 1476 A 70 ILE H A 70 ILE HG1x 1.0 . 3.50 1686 1477 A 71 MET H A 70 ILE HG1x 1.0 . 4.79 1687 1478 A 100 ILE HG1y A 21 GLN HE2y 1.0 . 4.73 1688 1479 A 27 VAL HB A 27 VAL H 1.0 . 2.82 1689 1480 A 100 ILE HG1y A 101 ALA H 1.0 . 4.94 1690 1481 A 45 LEU H A 43 THR HG2% 1.0 . 4.55 1691 1482 A 60 THR HG2% A 61 ASN H 1.0 . 3.72 1692 1483 A 60 THR HG2% A 62 THR H 1.0 . 3.19 1693 1484 A 18 CYS H A 17 THR HG2% 1.0 . 3.03 1694 1485 A 17 THR HG2% A 104 ASN H 1.0 . 4.37 1695 1486 A 17 THR HG2% A 103 LYS H 1.0 . 3.27 1696 1487 A 16 VAL H A 16 VAL HG1% 1.0 . 3.55 1697 1488 A 59 ILE HG2% A 87 SER H 1.0 . 3.24 1698 1489 A 59 ILE HG2% A 60 THR H 1.0 . 2.75 1699 1490 A 60 THR HG2% A 60 THR H 1.0 . 2.93 1700 1491 A 39 ILE H A 39 ILE HG1x 1.0 . 3.86 1701 1492 A 25 HIS H A 16 VAL HG1% 1.0 . 4.26 1702 1493 A 13 LYS H A 13 LYS HG2 1.0 . 3.46 1703 1493 A 13 LYS H A 13 LYS HG3 1.0 . 3.46 1704 1494 A 109 SER H A 13 LYS HG2 1.0 . 5.50 1705 1494 A 13 LYS HG3 A 109 SER H 1.0 . 5.50 1706 1495 A 58 HIS H A 57 LYS HBx 1.0 . 3.93 1707 1496 A 119 THR H A 119 THR HG2% 1.0 . 2.94 1708 1497 A 24 VAL H A 24 VAL HG1% 1.0 . 3.20 1709 1498 A 63 ARG HBy A 63 ARG H 1.0 . 2.83 1710 1499 A 99 ILE HG1x A 97 LYS H 1.0 . 5.01 1711 1500 A 24 VAL HG1% A 51 TRP H 1.0 . 3.14 1712 1501 A 119 THR HG2% A 117 ASN H 1.0 . 5.50 1713 1502 A 12 ASN H A 11 THR HG2% 1.0 . 2.98 1714 1503 A 111 PHE H A 11 THR HG2% 1.0 . 3.78 1715 1504 A 50 ASP H A 24 VAL HG1% 1.0 . 4.63 1716 1505 A 24 VAL HG1% A 19 GLU H 1.0 . 3.73 1717 1506 A 11 THR HG2% A 11 THR H 1.0 . 4.02 1718 1507 A 57 LYS H A 57 LYS HBx 1.0 . 3.42 1719 1508 A 100 ILE HG2% A 20 ASN H 1.0 . 3.65 1720 1509 A 21 GLN H A 22 ALA HB% 1.0 . 4.57 1721 1510 A 100 ILE HG2% A 20 ASN HD2x 1.0 . 4.51 1722 1511 A 100 ILE HG2% A 20 ASN HD2y 1.0 . 4.67 1723 1512 A 53 THR H A 45 LEU HDx% 1.0 . 4.50 1724 1512 A 45 LEU HDy% A 53 THR H 1.0 . 4.50 1725 1513 A 45 LEU H A 45 LEU HDx% 1.0 . 3.87 1726 1513 A 45 LEU HDy% A 45 LEU H 1.0 . 3.87 1727 1514 A 32 CYS H A 106 LEU HD2% 1.0 . 3.88 1728 1515 A 30 GLY H A 106 LEU HD2% 1.0 . 5.05 1729 1516 A 86 TYR H A 85 ILE HG2% 1.0 . 3.28 1730 1517 A 27 VAL HG2% A 33 GLY H 1.0 . 4.51 1731 1518 A 42 GLU H A 41 LEU HDx% 1.0 . 5.26 1732 1519 A 85 ILE HG2% A 87 SER H 1.0 . 3.92 1733 1520 A 77 HIS H A 75 LEU HBx 1.0 . 5.16 1734 1521 A 62 THR HG2% A 62 THR H 1.0 . 2.85 1735 1522 A 84 PHE H A 83 THR HG2% 1.0 . 3.32 1736 1523 A 95 ILE HD1% A 92 VAL H 1.0 . 4.65 1737 1524 A 37 SER H A 39 ILE HD1% 1.0 . 5.50 1738 1525 A 95 ILE HD1% A 104 ASN HD2x 1.0 . 3.93 1739 1526 A 100 ILE H A 99 ILE HG2% 1.0 . 3.01 1740 1527 A 114 SER H A 83 THR HG2% 1.0 . 3.90 1741 1528 A 21 GLN H A 99 ILE HG2% 1.0 . 4.23 1742 1529 A 98 GLY H A 99 ILE HD1% 1.0 . 5.50 1743 1530 A 21 GLN HE2y A 100 ILE HD1% 1.0 . 4.01 1744 1531 A 21 GLN HE2x A 100 ILE HD1% 1.0 . 3.76 1745 1532 A 106 LEU H A 105 VAL HG1% 1.0 . 4.13 1746 1533 A 16 VAL H A 16 VAL HG2% 1.0 . 2.65 1747 1534 A 19 GLU H A 24 VAL HG2% 1.0 . 3.62 1748 1535 A 17 THR H A 16 VAL HG2% 1.0 . 3.43 1749 1536 A 49 SER H A 24 VAL HG2% 1.0 . 5.50 1750 1537 A 70 ILE HG2% A 69 ASN HD2x 1.0 . 5.26 1751 1538 A 24 VAL H A 24 VAL HG2% 1.0 . 2.69 1752 1539 A 50 ASP H A 24 VAL HG2% 1.0 . 5.50 1753 1540 A 24 VAL HG2% A 22 ALA H 1.0 . 5.50 1754 1541 A 76 PHE H A 75 LEU HDy% 1.0 . 4.75 1755 1542 A 70 ILE HD1% A 69 ASN H 1.0 . 4.85 1756 1543 A 14 PHE H A 107 THR HG2% 1.0 . 3.91 1757 1544 A 107 THR H A 106 LEU HD1% 1.0 . 2.61 1758 1545 A 109 SER H A 107 THR HG2% 1.0 . 3.91 1759 1546 A 14 PHE H A 106 LEU HD1% 1.0 . 3.05 1760 1547 A 108 THR H A 107 THR HG2% 1.0 . 3.64 1761 1548 A 16 VAL H A 106 LEU HD1% 1.0 . 4.46 1762 1549 A 30 GLY H A 106 LEU HD1% 1.0 . 3.91 1763 1550 A 106 LEU HD1% A 31 SER H 1.0 . 3.33 1764 1551 A 66 ASP H A 65 VAL HG2% 1.0 . 4.04 1765 1552 A 65 VAL H A 65 VAL HG2% 1.0 . 3.81 1766 1553 A 85 ILE HD1% A 60 THR H 1.0 . 5.50 1767 1554 A 66 ASP H A 65 VAL HG1% 1.0 . 4.04 1768 1555 A 65 VAL H A 65 VAL HG1% 1.0 . 3.81 1769 1556 A 67 CYS H A 65 VAL HG1% 1.0 . 4.48 1770 1557 A 51 TRP HE1 A 93 LYS HGy 1.0 . 4.81 1771 1558 A 93 LYS H A 93 LYS HGy 1.0 . 4.39 1772 1559 A 15 CYS HBx A 106 LEU H 1.0 . 5.21 1773 1560 A 21 GLN H A 20 ASN HA 1.0 . 2.92 1774 1561 A 84 PHE H A 84 PHE HBx 1.0 . 3.11 1775 1562 A 65 VAL HB A 65 VAL H 1.0 . 2.81 1776 1563 A 94 ALA H A 92 VAL H 1.0 . 3.61 1777 1564 A 98 GLY H A 21 GLN HE2y 1.0 . 5.50 1778 1565 A 61 ASN H A 61 ASN HD2x 1.0 . 4.94 1779 1566 A 61 ASN H A 61 ASN HD2y 1.0 . 4.94 1780 1567 A 86 TYR H A 86 TYR HBx 1.0 . 3.22 1781 1568 A 86 TYR H A 112 TYR HBx 1.0 . 4.23 1782 1569 A 86 TYR H A 86 TYR HBy 1.0 . 2.96 1783 1570 A 14 PHE HE% A 14 PHE H 1.0 . 4.93 1784 1571 A 57 LYS H A 58 HIS HD2 1.0 . 4.96 1785 1572 A 51 TRP HBy A 51 TRP HE1 1.0 . 4.79 1786 1573 A 51 TRP HE1 A 93 LYS HEy 1.0 . 4.49 1787 1574 A 24 VAL H A 54 PHE HD% 1.0 . 5.50 1788 1575 A 70 ILE H A 72 SER H 1.0 . 4.74 1789 1576 A 86 TYR H A 112 TYR HD% 1.0 . 5.50 1790 1577 A 100 ILE H A 101 ALA HA 1.0 . 4.87 1791 1578 A 58 HIS H A 59 ILE HA 1.0 . 4.96 1792 1579 A 115 ASP H A 83 THR HA 1.0 . 4.88 1793 1580 A 84 PHE H A 114 SER HBy 1.0 . 4.16 1794 1581 A 84 PHE H A 114 SER HBx 1.0 . 5.24 1795 1582 A 84 PHE H A 85 ILE HA 1.0 . 5.50 1796 1583 A 84 PHE H A 115 ASP HA 1.0 . 3.65 1797 1584 A 113 LEU H A 112 TYR HBx 1.0 . 4.83 1798 1585 A 113 LEU HBy A 113 LEU H 1.0 . 3.61 1799 1586 A 51 TRP H A 45 LEU HBx 1.0 . 5.50 1800 1586 A 51 TRP H A 45 LEU HBy 1.0 . 5.50 1801 1587 A 24 VAL HB A 51 TRP H 1.0 . 4.73 1802 1588 A 78 CYS H A 78 CYS HBy 1.0 . 4.18 1803 1589 A 51 TRP H A 52 LEU HBx 1.0 . 5.15 1804 1590 A 103 LYS H A 18 CYS HBx 1.0 . 4.61 1805 1591 A 41 LEU H A 40 PHE HBx 1.0 . 4.68 1806 1592 A 40 PHE H A 41 LEU HBx 1.0 . 4.34 1807 1592 A 40 PHE H A 41 LEU HBy 1.0 . 4.34 1808 1593 A 27 VAL HG1% A 28 GLY H 1.0 . 3.71 1809 1594 A 64 ASP H A 63 ARG HGy 1.0 . 4.13 1810 1595 A 16 VAL H A 106 LEU H 1.0 . 5.06 1811 1596 A 74 ASN H A 73 THR HB 1.0 . 2.60 1812 1597 A 74 ASN H A 73 THR HG2% 1.0 . 4.35 1813 1598 A 80 ASP H A 81 LYS H 1.0 . 3.10 1814 1599 A 111 PHE H A 110 GLU HBy 1.0 . 3.72 1815 1600 A 111 PHE HD% A 111 PHE H 1.0 . 3.34 1816 1601 A 29 VAL H A 28 GLY HAx 1.0 . 2.77 1817 1601 A 28 GLY HAy A 29 VAL H 1.0 . 2.77 1818 1602 A 68 ASP H A 2 PRO HDx 1.0 . 4.27 1819 1603 A 29 VAL H A 29 VAL HGy% 1.0 . 4.17 1820 1604 A 68 ASP H A 69 ASN H 1.0 . 2.98 1821 1605 A 31 SER H A 29 VAL H 1.0 . 4.51 1822 1606 A 68 ASP H A 67 CYS H 1.0 . 3.18 1823 1607 A 17 THR H A 16 VAL HG1% 1.0 . 3.54 1824 1608 A 17 THR H A 16 VAL HB 1.0 . 2.83 1825 1609 A 17 THR H A 25 HIS HBy 1.0 . 3.95 1826 1610 A 17 THR H A 17 THR HB 1.0 . 2.94 1827 1611 A 10 SER H A 113 LEU H 1.0 . 4.06 1828 1612 A 52 LEU H A 53 THR H 1.0 . 2.82 1829 1613 A 56 LYS H A 53 THR H 1.0 . 5.50 1830 1614 A 3 CYS H A 3 CYS HBx 1.0 . 3.34 1831 1615 A 44 SER H A 42 GLU HGx 1.0 . 4.38 1832 1615 A 42 GLU HGy A 44 SER H 1.0 . 4.38 1833 1616 A 75 LEU H A 73 THR HB 1.0 . 3.29 1834 1617 A 69 ASN HD2x A 69 ASN HA 1.0 . 3.99 1835 1618 A 43 THR HG2% A 46 SER H 1.0 . 5.50 1836 1619 A 98 GLY H A 21 GLN HE2x 1.0 . 4.82 1837 1620 A 12 ASN HD2y A 12 ASN HA 1.0 . 5.15 1838 1621 A 61 ASN HD2x A 61 ASN HBx 1.0 . 4.09 1839 1622 A 13 LYS HBx A 14 PHE H 1.0 . 3.04 1840 1623 A 14 PHE H A 14 PHE HBx 1.0 . 3.99 1841 1624 A 107 THR H A 14 PHE H 1.0 . 3.17 1842 1625 A 99 ILE HG2% A 102 SER H 1.0 . 4.46 1843 1626 A 69 ASN H A 69 ASN HD2x 1.0 . 4.10 1844 1627 A 5 TYR H A 4 LYS H 1.0 . 4.56 1845 1628 A 25 HIS H A 24 VAL HA 1.0 . 3.32 1846 1629 A 29 VAL H A 29 VAL HGx% 1.0 . 4.17 1847 1630 A 34 SER H A 34 SER HBy 1.0 . 3.24 1848 1631 A 36 GLY H A 35 GLY HAx 1.0 . 2.90 1849 1631 A 35 GLY HAy A 36 GLY H 1.0 . 2.90 1850 1632 A 39 ILE H A 39 ILE HD1% 1.0 . 3.57 1851 1633 A 88 ARG H A 88 ARG HDy 1.0 . 4.79 1852 1634 A 88 ARG H A 88 ARG HDx 1.0 . 4.79 1853 1635 A 88 ARG H A 87 SER HBx 1.0 . 3.89 1854 1635 A 88 ARG H A 87 SER HBy 1.0 . 3.89 1855 1636 A 44 SER H A 43 THR HB 1.0 . 3.16 1856 1637 A 44 SER H A 44 SER HBx 1.0 . 2.98 1857 1637 A 44 SER HBy A 44 SER H 1.0 . 2.98 1858 1638 A 45 LEU H A 45 LEU HG 1.0 . 3.21 1859 1639 A 45 LEU H A 45 LEU HA 1.0 . 2.87 1860 1640 A 46 SER H A 45 LEU HBx 1.0 . 3.97 1861 1640 A 45 LEU HBy A 46 SER H 1.0 . 3.97 1862 1641 A 50 ASP H A 50 ASP HBx 1.0 . 3.94 1863 1642 A 50 ASP H A 50 ASP HBy 1.0 . 3.94 1864 1643 A 51 TRP HBx A 51 TRP H 1.0 . 3.23 1865 1644 A 43 THR H A 43 THR HB 1.0 . 2.61 1866 1645 A 43 THR H A 42 GLU HA 1.0 . 2.73 1867 1646 A 49 SER H A 49 SER HBx 1.0 . 2.86 1868 1646 A 49 SER H A 49 SER HBy 1.0 . 2.86 1869 1647 A 52 LEU H A 52 LEU HD2% 1.0 . 4.54 1870 1648 A 52 LEU H A 52 LEU HD1% 1.0 . 4.54 1871 1649 A 51 TRP HBx A 52 LEU H 1.0 . 4.46 1872 1650 A 66 ASP H A 67 CYS H 1.0 . 3.83 1873 1651 A 67 CYS H A 65 VAL HA 1.0 . 4.36 1874 1652 A 67 CYS H A 66 ASP HBy 1.0 . 4.02 1875 1653 A 68 ASP H A 68 ASP HA 1.0 . 2.92 1876 1654 A 68 ASP H A 68 ASP HBy 1.0 . 3.87 1877 1655 A 71 MET H A 71 MET HBx 1.0 . 3.48 1878 1655 A 71 MET H A 71 MET HBy 1.0 . 3.48 1879 1656 A 71 MET H A 72 SER H 1.0 . 3.17 1880 1657 A 74 ASN H A 74 ASN HBx 1.0 . 3.37 1881 1657 A 74 ASN H A 74 ASN HBy 1.0 . 3.37 1882 1658 A 107 THR H A 15 CYS HA 1.0 . 3.63 1883 1659 A 108 THR H A 107 THR HB 1.0 . 2.83 1884 1660 A 108 THR H A 108 THR HB 1.0 . 3.39 1885 1661 A 109 SER H A 108 THR HB 1.0 . 4.20 1886 1662 A 110 GLU H A 109 SER HBx 1.0 . 2.63 1887 1662 A 110 GLU H A 109 SER HBy 1.0 . 2.63 1888 1663 A 110 GLU HBx A 110 GLU H 1.0 . 2.79 1889 1664 A 110 GLU HBy A 110 GLU H 1.0 . 3.84 1890 1665 A 8 LYS HBy A 8 LYS H 1.0 . 3.33 1891 1666 A 59 ILE H A 59 ILE HG1y 1.0 . 3.30 1892 1667 A 95 ILE HD1% A 95 ILE H 1.0 . 3.72 1893 1668 A 95 ILE H A 95 ILE HB 1.0 . 2.70 1894 1669 A 30 GLY H A 29 VAL HGy% 1.0 . 4.25 1895 1670 A 30 GLY H A 29 VAL HGx% 1.0 . 4.25 1896 1671 A 55 GLN H A 55 GLN HBy 1.0 . 3.67 1897 1672 A 55 GLN H A 55 GLN HE2x 1.0 . 3.12 1898 1673 A 55 GLN H A 54 PHE HE% 1.0 . 5.27 1899 1674 A 56 LYS HBx A 56 LYS H 1.0 . 2.77 1900 1675 A 56 LYS H A 55 GLN HBx 1.0 . 2.68 1901 1676 A 82 ASN H A 82 ASN HD2x 1.0 . 5.50 1902 1677 A 51 TRP HE1 A 93 LYS HZ% 1.0 . 3.35 1903 1678 A 7 LEU H A 6 LYS HB2 1.0 . 2.55 1904 1678 A 6 LYS HB3 A 7 LEU H 1.0 . 2.55 1905 1679 A 7 LEU H A 7 LEU HBx 1.0 . 3.36 1906 1680 A 31 SER H A 31 SER HA 1.0 . 2.87 1907 1681 A 81 LYS HBy A 81 LYS H 1.0 . 3.81 1908 1682 A 93 LYS HBy A 93 LYS H 1.0 . 3.02 1909 1683 A 93 LYS HBx A 93 LYS H 1.0 . 2.80 1910 1684 A 96 CYS H A 95 ILE HB 1.0 . 2.98 1911 1685 A 103 LYS H A 103 LYS HBy 1.0 . 3.87 1912 1686 A 115 ASP H A 115 ASP HBx 1.0 . 3.01 1913 1687 A 115 ASP H A 115 ASP HBy 1.0 . 3.93 1914 1688 A 116 CYS H A 116 CYS HBy 1.0 . 3.65 1915 1689 A 3 CYS H A 2 PRO HDx 1.0 . 3.39 1916 1690 A 3 CYS H A 2 PRO HDy 1.0 . 4.04 1917 1691 A 103 LYS H A 103 LYS HGx 1.0 . 4.37 1918 1691 A 103 LYS H A 103 LYS HGy 1.0 . 4.37 1919 1692 A 7 LEU H A 7 LEU HDx% 1.0 . 4.47 1920 1693 A 7 LEU H A 7 LEU HDy% 1.0 . 4.47 1921 1694 A 41 LEU H A 39 ILE HG2% 1.0 . 3.89 1922 1695 A 106 LEU H A 106 LEU HD2% 1.0 . 4.25 1923 1696 A 11 THR HG2% A 113 LEU H 1.0 . 3.59 1924 1697 A 75 LEU H A 75 LEU HDy% 1.0 . 3.79 1925 1698 A 92 VAL HG2% A 92 VAL H 1.0 . 2.74 1926 1699 A 105 VAL H A 105 VAL HG2% 1.0 . 4.07 1927 1700 A 99 ILE H A 99 ILE HG2% 1.0 . 4.11 1928 1701 A 99 ILE H A 99 ILE HD1% 1.0 . 4.35 1929 1702 A 4 LYS H A 4 LYS HGx 1.0 . 3.97 1930 1703 A 4 LYS H A 4 LYS HGy 1.0 . 3.97 1931 1704 A 8 LYS H A 8 LYS HG2 1.0 . 4.45 1932 1704 A 8 LYS H A 8 LYS HG3 1.0 . 4.45 1933 1705 A 8 LYS H A 9 LYS HG2 1.0 . 4.65 1934 1705 A 8 LYS H A 9 LYS HG3 1.0 . 4.65 1935 1706 A 8 LYS H A 8 LYS HD2 1.0 . 4.59 1936 1706 A 8 LYS H A 8 LYS HD3 1.0 . 4.59 1937 1707 A 9 LYS H A 9 LYS HG2 1.0 . 3.30 1938 1707 A 9 LYS H A 9 LYS HG3 1.0 . 3.30 1939 1708 A 56 LYS H A 56 LYS HGx 1.0 . 3.46 1940 1708 A 56 LYS H A 56 LYS HGy 1.0 . 3.46 1941 1709 A 79 LYS H A 79 LYS HGx 1.0 . 3.57 1942 1710 A 79 LYS H A 79 LYS HEx 1.0 . 4.00 1943 1710 A 79 LYS HEy A 79 LYS H 1.0 . 4.00 1944 1711 A 60 THR HG2% A 63 ARG H 1.0 . 3.44 1945 1712 A 110 GLU H A 110 GLU HGx 1.0 . 3.49 1946 1713 A 110 GLU H A 110 GLU HGy 1.0 . 2.96 1947 1714 A 24 VAL H A 45 LEU HBx 1.0 . 5.50 1948 1714 A 24 VAL H A 45 LEU HBy 1.0 . 5.50 1949 1715 A 21 GLN H A 22 ALA H 1.0 . 2.83 1950 1716 A 19 GLU H A 22 ALA H 1.0 . 2.81 1951 1717 A 51 TRP HBy A 51 TRP H 1.0 . 2.57 1952 1718 A 113 LEU H A 11 THR HA 1.0 . 3.16 1953 1719 A 51 TRP HBy A 52 LEU H 1.0 . 3.39 1954 1720 A 81 LYS H A 81 LYS HGx 1.0 . 3.29 1955 1720 A 81 LYS HGy A 81 LYS H 1.0 . 3.29 1956 1721 A 11 THR H A 11 THR HB 1.0 . 3.10 1957 1722 A 5 TYR HBy A 6 LYS H 1.0 . 3.27 1958 1723 A 6 LYS H A 6 LYS HD2 1.0 . 3.14 1959 1723 A 6 LYS H A 6 LYS HD3 1.0 . 3.14 1960 1724 A 6 LYS H A 6 LYS HG2 1.0 . 3.89 1961 1724 A 6 LYS H A 6 LYS HG3 1.0 . 3.89 1962 1725 A 6 LYS H A 119 THR HG2% 1.0 . 3.80 1963 1726 A 6 LYS H A 119 THR HB 1.0 . 5.50 1964 1727 A 17 THR H A 16 VAL HA 1.0 . 2.71 1965 1728 A 19 GLU HBx A 19 GLU H 1.0 . 3.11 1966 1729 A 19 GLU H A 19 GLU HBy 1.0 . 3.04 1967 1730 A 61 ASN H A 60 THR HA 1.0 . 2.48 1968 1731 A 61 ASN H A 61 ASN HBy 1.0 . 3.50 1969 1732 A 62 THR H A 61 ASN HA 1.0 . 3.37 1970 1733 A 25 HIS H A 23 PRO HA 1.0 . 3.70 1971 1734 A 42 GLU H A 42 GLU HBx 1.0 . 3.72 1972 1735 A 49 SER H A 45 LEU HA 1.0 . 4.56 1973 1736 A 84 PHE HE% A 82 ASN HD2x 1.0 . 3.49 1974 1737 A 82 ASN HD2x A 84 PHE HZ 1.0 . 3.78 1975 1738 A 82 ASN HD2x A 82 ASN HA 1.0 . 4.50 1976 1739 A 3 CYS H A 2 PRO HBx 1.0 . 3.33 1977 1739 A 3 CYS H A 2 PRO HBy 1.0 . 3.33 1978 1740 A 71 MET H A 2 PRO HBx 1.0 . 4.89 1979 1740 A 71 MET H A 2 PRO HBy 1.0 . 4.89 1980 1741 A 3 CYS H A 2 PRO HGx 1.0 . 4.19 1981 1741 A 3 CYS H A 2 PRO HGy 1.0 . 4.19 1982 1742 A 70 ILE HG1y A 2 PRO HGx 1.0 . 4.19 1983 1742 A 70 ILE HG1y A 2 PRO HGy 1.0 . 4.19 1984 1743 A 4 LYS H A 4 LYS HGy 1.0 . 3.36 1985 1743 A 4 LYS H A 4 LYS HGx 1.0 . 3.36 1986 1744 A 4 LYS H A 118 VAL HGy% 1.0 . 3.64 1987 1744 A 4 LYS H A 118 VAL HGx% 1.0 . 3.64 1988 1745 A 5 TYR H A 4 LYS HEx 1.0 . 4.22 1989 1745 A 5 TYR H A 4 LYS HEy 1.0 . 4.22 1990 1746 A 5 TYR H A 118 VAL HGy% 1.0 . 5.35 1991 1746 A 5 TYR H A 118 VAL HGx% 1.0 . 5.35 1992 1747 A 5 TYR HD% A 118 VAL HGy% 1.0 . 3.71 1993 1747 A 5 TYR HD% A 118 VAL HGx% 1.0 . 3.71 1994 1748 A 6 LYS H A 118 VAL HGy% 1.0 . 5.44 1995 1748 A 6 LYS H A 118 VAL HGx% 1.0 . 5.44 1996 1749 A 7 LEU H A 7 LEU HBx 1.0 . 2.76 1997 1749 A 7 LEU H A 7 LEU HBy 1.0 . 2.76 1998 1750 A 7 LEU H A 7 LEU HDy% 1.0 . 3.84 1999 1750 A 7 LEU H A 7 LEU HDx% 1.0 . 3.84 2000 1751 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.22 2001 1751 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.22 2002 1752 A 7 LEU HG A 9 LYS HEx 1.0 . 5.34 2003 1752 A 7 LEU HG A 9 LYS HEy 1.0 . 5.34 2004 1753 A 8 LYS H A 7 LEU HDy% 1.0 . 3.14 2005 1753 A 8 LYS H A 7 LEU HDx% 1.0 . 3.14 2006 1754 A 9 LYS H A 7 LEU HDy% 1.0 . 5.44 2007 1754 A 9 LYS H A 7 LEU HDx% 1.0 . 5.44 2008 1755 A 7 LEU HDx% A 9 LYS HEx 1.0 . 3.65 2009 1755 A 7 LEU HDy% A 9 LYS HEx 1.0 . 3.65 2010 1755 A 9 LYS HEy A 7 LEU HDy% 1.0 . 3.65 2011 1755 A 7 LEU HDx% A 9 LYS HEy 1.0 . 3.65 2012 1756 A 8 LYS H A 9 LYS HEx 1.0 . 5.19 2013 1756 A 8 LYS H A 9 LYS HEy 1.0 . 5.19 2014 1757 A 8 LYS HBx A 117 ASN HD2x 1.0 . 4.22 2015 1757 A 8 LYS HBx A 117 ASN HD2y 1.0 . 4.22 2016 1758 A 8 LYS HBy A 117 ASN HD2x 1.0 . 3.72 2017 1758 A 8 LYS HBy A 117 ASN HD2y 1.0 . 3.72 2018 1759 A 117 ASN HD2x A 8 LYS HG2 1.0 . 3.95 2019 1759 A 8 LYS HG3 A 117 ASN HD2x 1.0 . 3.95 2020 1759 A 117 ASN HD2y A 8 LYS HG2 1.0 . 3.95 2021 1759 A 8 LYS HG3 A 117 ASN HD2y 1.0 . 3.95 2022 1760 A 9 LYS H A 9 LYS HDy 1.0 . 4.57 2023 1760 A 9 LYS H A 9 LYS HDx 1.0 . 4.57 2024 1761 A 9 LYS H A 9 LYS HEx 1.0 . 4.82 2025 1761 A 9 LYS H A 9 LYS HEy 1.0 . 4.82 2026 1762 A 9 LYS HA A 9 LYS HDy 1.0 . 3.77 2027 1762 A 9 LYS HA A 9 LYS HDx 1.0 . 3.77 2028 1763 A 9 LYS HB3 A 9 LYS HEx 1.0 . 4.64 2029 1763 A 9 LYS HB2 A 9 LYS HEx 1.0 . 4.64 2030 1763 A 9 LYS HEy A 9 LYS HB2 1.0 . 4.64 2031 1763 A 9 LYS HB3 A 9 LYS HEy 1.0 . 4.64 2032 1764 A 10 SER H A 9 LYS HDy 1.0 . 3.82 2033 1764 A 10 SER H A 9 LYS HDx 1.0 . 3.82 2034 1765 A 114 SER HA A 9 LYS HDy 1.0 . 4.44 2035 1765 A 114 SER HA A 9 LYS HDx 1.0 . 4.44 2036 1766 A 114 SER HBx A 9 LYS HDy 1.0 . 5.34 2037 1766 A 114 SER HBx A 9 LYS HDx 1.0 . 5.34 2038 1767 A 114 SER HG A 9 LYS HDy 1.0 . 4.72 2039 1767 A 114 SER HG A 9 LYS HDx 1.0 . 4.72 2040 1768 A 114 SER HG A 9 LYS HEx 1.0 . 4.86 2041 1768 A 114 SER HG A 9 LYS HEy 1.0 . 4.86 2042 1769 A 10 SER H A 113 LEU HD2% 1.0 . 5.01 2043 1769 A 10 SER H A 113 LEU HD1% 1.0 . 5.01 2044 1770 A 10 SER HB3 A 113 LEU HD2% 1.0 . 3.94 2045 1770 A 10 SER HB2 A 113 LEU HD2% 1.0 . 3.94 2046 1770 A 113 LEU HD1% A 10 SER HB2 1.0 . 3.94 2047 1770 A 10 SER HB3 A 113 LEU HD1% 1.0 . 3.94 2048 1771 A 12 ASN H A 29 VAL HGy% 1.0 . 4.87 2049 1771 A 12 ASN H A 29 VAL HGx% 1.0 . 4.87 2050 1772 A 12 ASN H A 113 LEU HD2% 1.0 . 4.24 2051 1772 A 12 ASN H A 113 LEU HD1% 1.0 . 4.24 2052 1773 A 12 ASN HBx A 29 VAL HGy% 1.0 . 4.19 2053 1773 A 12 ASN HBx A 29 VAL HGx% 1.0 . 4.19 2054 1774 A 12 ASN HD2x A 29 VAL HGy% 1.0 . 3.21 2055 1774 A 12 ASN HD2x A 29 VAL HGx% 1.0 . 3.21 2056 1775 A 12 ASN HD2x A 113 LEU HD2% 1.0 . 5.30 2057 1775 A 12 ASN HD2x A 113 LEU HD1% 1.0 . 5.30 2058 1776 A 12 ASN HD2y A 29 VAL HGy% 1.0 . 3.44 2059 1776 A 12 ASN HD2y A 29 VAL HGx% 1.0 . 3.44 2060 1777 A 13 LYS H A 13 LYS HEx 1.0 . 4.62 2061 1777 A 13 LYS H A 13 LYS HEy 1.0 . 4.62 2062 1778 A 13 LYS H A 29 VAL HGy% 1.0 . 5.44 2063 1778 A 13 LYS H A 29 VAL HGx% 1.0 . 5.44 2064 1779 A 13 LYS H A 113 LEU HD2% 1.0 . 5.44 2065 1779 A 13 LYS H A 113 LEU HD1% 1.0 . 5.44 2066 1780 A 13 LYS HEx A 13 LYS HG2 1.0 . 3.63 2067 1780 A 13 LYS HEy A 13 LYS HG2 1.0 . 3.63 2068 1780 A 13 LYS HG3 A 13 LYS HEx 1.0 . 3.63 2069 1780 A 13 LYS HG3 A 13 LYS HEy 1.0 . 3.63 2070 1781 A 14 PHE HA A 29 VAL HGy% 1.0 . 4.84 2071 1781 A 14 PHE HA A 29 VAL HGx% 1.0 . 4.84 2072 1782 A 14 PHE HBx A 29 VAL HGy% 1.0 . 5.33 2073 1782 A 14 PHE HBx A 29 VAL HGx% 1.0 . 5.33 2074 1783 A 14 PHE HBy A 29 VAL HGy% 1.0 . 5.36 2075 1783 A 14 PHE HBy A 29 VAL HGx% 1.0 . 5.36 2076 1784 A 14 PHE HD% A 85 ILE HG1x 1.0 . 4.71 2077 1784 A 14 PHE HD% A 85 ILE HG1y 1.0 . 4.71 2078 1785 A 14 PHE HE% A 85 ILE HG1x 1.0 . 4.66 2079 1785 A 14 PHE HE% A 85 ILE HG1y 1.0 . 4.66 2080 1786 A 15 CYS H A 29 VAL HGy% 1.0 . 5.10 2081 1786 A 15 CYS H A 29 VAL HGx% 1.0 . 5.10 2082 1787 A 18 CYS H A 18 CYS HBy 1.0 . 2.94 2083 1787 A 18 CYS H A 18 CYS HBx 1.0 . 2.94 2084 1788 A 18 CYS H A 103 LYS HBy 1.0 . 4.79 2085 1788 A 18 CYS H A 103 LYS HBx 1.0 . 4.79 2086 1789 A 19 GLU H A 18 CYS HBy 1.0 . 3.62 2087 1789 A 19 GLU H A 18 CYS HBx 1.0 . 3.62 2088 1790 A 22 ALA H A 18 CYS HBy 1.0 . 4.04 2089 1790 A 22 ALA H A 18 CYS HBx 1.0 . 4.04 2090 1791 A 99 ILE HB A 18 CYS HBy 1.0 . 4.02 2091 1791 A 99 ILE HB A 18 CYS HBx 1.0 . 4.02 2092 1792 A 99 ILE HD1% A 18 CYS HBy 1.0 . 3.61 2093 1792 A 99 ILE HD1% A 18 CYS HBx 1.0 . 3.61 2094 1793 A 103 LYS H A 18 CYS HBy 1.0 . 3.87 2095 1793 A 103 LYS H A 18 CYS HBx 1.0 . 3.87 2096 1794 A 104 ASN HA A 18 CYS HBy 1.0 . 4.65 2097 1794 A 104 ASN HA A 18 CYS HBx 1.0 . 4.65 2098 1795 A 104 ASN HD2y A 18 CYS HBy 1.0 . 3.64 2099 1795 A 104 ASN HD2y A 18 CYS HBx 1.0 . 3.64 2100 1796 A 19 GLU H A 19 GLU HGy 1.0 . 4.72 2101 1796 A 19 GLU H A 19 GLU HGx 1.0 . 4.72 2102 1797 A 19 GLU HA A 19 GLU HGy 1.0 . 3.39 2103 1797 A 19 GLU HA A 19 GLU HGx 1.0 . 3.39 2104 1798 A 20 ASN H A 19 GLU HGy 1.0 . 3.61 2105 1798 A 20 ASN H A 19 GLU HGx 1.0 . 3.61 2106 1799 A 19 GLU HGy A 20 ASN HBy 1.0 . 4.83 2107 1799 A 20 ASN HBx A 19 GLU HGy 1.0 . 4.83 2108 1799 A 19 GLU HGx A 20 ASN HBx 1.0 . 4.83 2109 1799 A 19 GLU HGx A 20 ASN HBy 1.0 . 4.83 2110 1800 A 20 ASN HD2x A 19 GLU HGy 1.0 . 3.68 2111 1800 A 20 ASN HD2x A 19 GLU HGx 1.0 . 3.68 2112 1801 A 20 ASN HD2y A 19 GLU HGy 1.0 . 3.95 2113 1801 A 20 ASN HD2y A 19 GLU HGx 1.0 . 3.95 2114 1802 A 102 SER H A 19 GLU HGy 1.0 . 3.44 2115 1802 A 102 SER H A 19 GLU HGx 1.0 . 3.44 2116 1803 A 19 GLU HGx A 102 SER HBx 1.0 . 4.02 2117 1803 A 19 GLU HGy A 102 SER HBx 1.0 . 4.02 2118 1803 A 102 SER HBy A 19 GLU HGy 1.0 . 4.02 2119 1803 A 102 SER HBy A 19 GLU HGx 1.0 . 4.02 2120 1804 A 20 ASN H A 20 ASN HBy 1.0 . 3.36 2121 1804 A 20 ASN H A 20 ASN HBx 1.0 . 3.36 2122 1805 A 20 ASN HD2x A 20 ASN HBy 1.0 . 2.83 2123 1805 A 20 ASN HD2x A 20 ASN HBx 1.0 . 2.83 2124 1806 A 20 ASN HD2y A 20 ASN HBy 1.0 . 3.50 2125 1806 A 20 ASN HD2y A 20 ASN HBx 1.0 . 3.50 2126 1807 A 21 GLN H A 20 ASN HBy 1.0 . 4.06 2127 1807 A 21 GLN H A 20 ASN HBx 1.0 . 4.06 2128 1808 A 21 GLN HE2x A 20 ASN HBy 1.0 . 5.34 2129 1808 A 21 GLN HE2x A 20 ASN HBx 1.0 . 5.34 2130 1809 A 22 ALA H A 20 ASN HBy 1.0 . 5.34 2131 1809 A 22 ALA H A 20 ASN HBx 1.0 . 5.34 2132 1810 A 100 ILE HG2% A 20 ASN HBy 1.0 . 4.48 2133 1810 A 100 ILE HG2% A 20 ASN HBx 1.0 . 4.48 2134 1811 A 100 ILE HG1x A 20 ASN HBy 1.0 . 5.24 2135 1811 A 100 ILE HG1x A 20 ASN HBx 1.0 . 5.24 2136 1812 A 21 GLN HGy A 98 GLY HAx 1.0 . 3.95 2137 1812 A 21 GLN HGy A 98 GLY HAy 1.0 . 3.95 2138 1813 A 22 ALA HB% A 93 LYS HEy 1.0 . 3.71 2139 1813 A 22 ALA HB% A 93 LYS HEx 1.0 . 3.71 2140 1814 A 27 VAL H A 26 PHE HBx 1.0 . 4.38 2141 1814 A 27 VAL H A 26 PHE HBy 1.0 . 4.38 2142 1815 A 54 PHE HD% A 26 PHE HBx 1.0 . 4.39 2143 1815 A 54 PHE HD% A 26 PHE HBy 1.0 . 4.39 2144 1816 A 54 PHE HE% A 26 PHE HBx 1.0 . 4.99 2145 1816 A 54 PHE HE% A 26 PHE HBy 1.0 . 4.99 2146 1817 A 26 PHE HD% A 85 ILE HG1x 1.0 . 5.34 2147 1817 A 26 PHE HD% A 85 ILE HG1y 1.0 . 5.34 2148 1818 A 26 PHE HE% A 29 VAL HGy% 1.0 . 3.76 2149 1818 A 26 PHE HE% A 29 VAL HGx% 1.0 . 3.76 2150 1819 A 26 PHE HE% A 85 ILE HG1x 1.0 . 4.46 2151 1819 A 26 PHE HE% A 85 ILE HG1y 1.0 . 4.46 2152 1820 A 26 PHE HE% A 113 LEU HD2% 1.0 . 4.53 2153 1820 A 26 PHE HE% A 113 LEU HD1% 1.0 . 4.53 2154 1821 A 27 VAL HG1% A 32 CYS HBy 1.0 . 4.75 2155 1821 A 27 VAL HG1% A 32 CYS HBx 1.0 . 4.75 2156 1822 A 29 VAL H A 29 VAL HGy% 1.0 . 2.85 2157 1822 A 29 VAL H A 29 VAL HGx% 1.0 . 2.85 2158 1823 A 30 GLY H A 29 VAL HGy% 1.0 . 2.94 2159 1823 A 30 GLY H A 29 VAL HGx% 1.0 . 2.94 2160 1824 A 31 SER H A 29 VAL HGy% 1.0 . 4.60 2161 1824 A 31 SER H A 29 VAL HGx% 1.0 . 4.60 2162 1825 A 83 THR HB A 29 VAL HGy% 1.0 . 4.74 2163 1825 A 83 THR HB A 29 VAL HGx% 1.0 . 4.74 2164 1826 A 30 GLY H A 113 LEU HD2% 1.0 . 5.44 2165 1826 A 30 GLY H A 113 LEU HD1% 1.0 . 5.44 2166 1827 A 30 GLY HAx A 113 LEU HD2% 1.0 . 5.39 2167 1827 A 30 GLY HAy A 113 LEU HD2% 1.0 . 5.39 2168 1827 A 113 LEU HD1% A 30 GLY HAx 1.0 . 5.39 2169 1827 A 30 GLY HAy A 113 LEU HD1% 1.0 . 5.39 2170 1828 A 31 SER H A 31 SER HBx 1.0 . 3.58 2171 1828 A 31 SER H A 31 SER HBy 1.0 . 3.58 2172 1829 A 106 LEU HD2% A 31 SER HBx 1.0 . 4.00 2173 1829 A 106 LEU HD2% A 31 SER HBy 1.0 . 4.00 2174 1830 A 32 CYS H A 32 CYS HBy 1.0 . 2.95 2175 1830 A 32 CYS H A 32 CYS HBx 1.0 . 2.95 2176 1831 A 33 GLY H A 32 CYS HBy 1.0 . 3.91 2177 1831 A 33 GLY H A 32 CYS HBx 1.0 . 3.91 2178 1832 A 34 SER H A 34 SER HBx 1.0 . 2.75 2179 1832 A 34 SER H A 34 SER HBy 1.0 . 2.75 2180 1833 A 35 GLY H A 34 SER HBx 1.0 . 3.90 2181 1833 A 35 GLY H A 34 SER HBy 1.0 . 3.90 2182 1834 A 37 SER H A 37 SER HBx 1.0 . 3.36 2183 1834 A 37 SER H A 37 SER HBy 1.0 . 3.36 2184 1835 A 37 SER HBx A 39 ILE HG1y 1.0 . 4.13 2185 1835 A 37 SER HBy A 39 ILE HG1y 1.0 . 4.13 2186 1835 A 39 ILE HG1x A 37 SER HBx 1.0 . 4.13 2187 1835 A 37 SER HBy A 39 ILE HG1x 1.0 . 4.13 2188 1836 A 39 ILE HD1% A 37 SER HBx 1.0 . 3.68 2189 1836 A 39 ILE HD1% A 37 SER HBy 1.0 . 3.68 2190 1837 A 38 GLY HAy A 39 ILE HG1y 1.0 . 4.14 2191 1837 A 38 GLY HAx A 39 ILE HG1y 1.0 . 4.14 2192 1837 A 39 ILE HG1x A 38 GLY HAx 1.0 . 4.14 2193 1837 A 39 ILE HG1x A 38 GLY HAy 1.0 . 4.14 2194 1838 A 39 ILE H A 39 ILE HG1y 1.0 . 3.02 2195 1838 A 39 ILE H A 39 ILE HG1x 1.0 . 3.02 2196 1839 A 39 ILE H A 40 PHE HBx 1.0 . 5.34 2197 1839 A 39 ILE H A 40 PHE HBy 1.0 . 5.34 2198 1840 A 39 ILE HA A 39 ILE HG1y 1.0 . 3.65 2199 1840 A 39 ILE HA A 39 ILE HG1x 1.0 . 3.65 2200 1841 A 39 ILE HA A 41 LEU HDy% 1.0 . 4.13 2201 1841 A 39 ILE HA A 41 LEU HDx% 1.0 . 4.13 2202 1842 A 40 PHE H A 39 ILE HG1y 1.0 . 4.31 2203 1842 A 40 PHE H A 39 ILE HG1x 1.0 . 4.31 2204 1843 A 40 PHE H A 40 PHE HBx 1.0 . 3.01 2205 1843 A 40 PHE H A 40 PHE HBy 1.0 . 3.01 2206 1844 A 40 PHE H A 41 LEU HDy% 1.0 . 4.09 2207 1844 A 40 PHE H A 41 LEU HDx% 1.0 . 4.09 2208 1845 A 41 LEU H A 40 PHE HBx 1.0 . 4.01 2209 1845 A 41 LEU H A 40 PHE HBy 1.0 . 4.01 2210 1846 A 40 PHE HBy A 41 LEU HDy% 1.0 . 5.28 2211 1846 A 40 PHE HBx A 41 LEU HDy% 1.0 . 5.28 2212 1846 A 41 LEU HDx% A 40 PHE HBx 1.0 . 5.28 2213 1846 A 40 PHE HBy A 41 LEU HDx% 1.0 . 5.28 2214 1847 A 42 GLU H A 40 PHE HBx 1.0 . 5.34 2215 1847 A 42 GLU H A 40 PHE HBy 1.0 . 5.34 2216 1848 A 41 LEU HA A 41 LEU HDy% 1.0 . 3.31 2217 1848 A 41 LEU HA A 41 LEU HDx% 1.0 . 3.31 2218 1849 A 42 GLU H A 41 LEU HDy% 1.0 . 4.20 2219 1849 A 42 GLU H A 41 LEU HDx% 1.0 . 4.20 2220 1850 A 42 GLU H A 42 GLU HBy 1.0 . 2.89 2221 1850 A 42 GLU H A 42 GLU HBx 1.0 . 2.89 2222 1851 A 43 THR HB A 42 GLU HBy 1.0 . 5.32 2223 1851 A 43 THR HB A 42 GLU HBx 1.0 . 5.32 2224 1852 A 44 SER H A 42 GLU HBy 1.0 . 4.67 2225 1852 A 44 SER H A 42 GLU HBx 1.0 . 4.67 2226 1853 A 44 SER HA A 42 GLU HBy 1.0 . 5.34 2227 1853 A 44 SER HA A 42 GLU HBx 1.0 . 5.34 2228 1854 A 42 GLU HBy A 44 SER HBx 1.0 . 4.66 2229 1854 A 44 SER HBy A 42 GLU HBy 1.0 . 4.66 2230 1854 A 44 SER HBy A 42 GLU HBx 1.0 . 4.66 2231 1854 A 42 GLU HBx A 44 SER HBx 1.0 . 4.66 2232 1855 A 45 LEU H A 42 GLU HBy 1.0 . 5.34 2233 1855 A 45 LEU H A 42 GLU HBx 1.0 . 5.34 2234 1856 A 47 ALA HB% A 48 GLY HAx 1.0 . 4.67 2235 1856 A 47 ALA HB% A 48 GLY HAy 1.0 . 4.67 2236 1857 A 48 GLY H A 48 GLY HAx 1.0 . 2.57 2237 1857 A 48 GLY H A 48 GLY HAy 1.0 . 2.57 2238 1858 A 49 SER H A 48 GLY HAx 1.0 . 3.03 2239 1858 A 49 SER H A 48 GLY HAy 1.0 . 3.03 2240 1859 A 49 SER H A 50 ASP HBy 1.0 . 5.34 2241 1859 A 49 SER H A 50 ASP HBx 1.0 . 5.34 2242 1860 A 50 ASP H A 50 ASP HBy 1.0 . 3.30 2243 1860 A 50 ASP H A 50 ASP HBx 1.0 . 3.30 2244 1861 A 51 TRP H A 50 ASP HBy 1.0 . 3.09 2245 1861 A 51 TRP H A 50 ASP HBx 1.0 . 3.09 2246 1862 A 51 TRP HD1 A 50 ASP HBy 1.0 . 5.29 2247 1862 A 51 TRP HD1 A 50 ASP HBx 1.0 . 5.29 2248 1863 A 52 LEU H A 50 ASP HBy 1.0 . 3.17 2249 1863 A 52 LEU H A 50 ASP HBx 1.0 . 3.17 2250 1864 A 53 THR H A 50 ASP HBy 1.0 . 4.96 2251 1864 A 53 THR H A 50 ASP HBx 1.0 . 4.96 2252 1865 A 51 TRP HD1 A 52 LEU HD2% 1.0 . 4.12 2253 1865 A 51 TRP HD1 A 52 LEU HD1% 1.0 . 4.12 2254 1866 A 51 TRP HD1 A 93 LYS HEy 1.0 . 4.14 2255 1866 A 51 TRP HD1 A 93 LYS HEx 1.0 . 4.14 2256 1867 A 51 TRP HE1 A 52 LEU HD2% 1.0 . 4.60 2257 1867 A 51 TRP HE1 A 52 LEU HD1% 1.0 . 4.60 2258 1868 A 51 TRP HE1 A 93 LYS HDx 1.0 . 3.56 2259 1868 A 51 TRP HE1 A 93 LYS HDy 1.0 . 3.56 2260 1869 A 51 TRP HE1 A 93 LYS HEy 1.0 . 3.62 2261 1869 A 51 TRP HE1 A 93 LYS HEx 1.0 . 3.62 2262 1870 A 51 TRP HZ2 A 89 PRO HBx 1.0 . 3.08 2263 1870 A 51 TRP HZ2 A 89 PRO HBy 1.0 . 3.08 2264 1871 A 52 LEU H A 52 LEU HD2% 1.0 . 3.54 2265 1871 A 52 LEU H A 52 LEU HD1% 1.0 . 3.54 2266 1872 A 52 LEU HA A 52 LEU HD2% 1.0 . 3.47 2267 1872 A 52 LEU HA A 52 LEU HD1% 1.0 . 3.47 2268 1873 A 53 THR HA A 52 LEU HD2% 1.0 . 4.23 2269 1873 A 53 THR HA A 52 LEU HD1% 1.0 . 4.23 2270 1874 A 55 GLN HE2x A 52 LEU HD2% 1.0 . 4.23 2271 1874 A 55 GLN HE2x A 52 LEU HD1% 1.0 . 4.23 2272 1875 A 55 GLN HE2y A 52 LEU HD2% 1.0 . 3.44 2273 1875 A 55 GLN HE2y A 52 LEU HD1% 1.0 . 3.44 2274 1876 A 56 LYS H A 52 LEU HD2% 1.0 . 5.21 2275 1876 A 56 LYS H A 52 LEU HD1% 1.0 . 5.21 2276 1877 A 54 PHE H A 57 LYS HBy 1.0 . 4.82 2277 1877 A 54 PHE H A 57 LYS HBx 1.0 . 4.82 2278 1878 A 54 PHE HA A 57 LYS HBy 1.0 . 3.69 2279 1878 A 54 PHE HA A 57 LYS HBx 1.0 . 3.69 2280 1879 A 54 PHE HD% A 57 LYS HBy 1.0 . 4.58 2281 1879 A 54 PHE HD% A 57 LYS HBx 1.0 . 4.58 2282 1880 A 56 LYS H A 57 LYS HBy 1.0 . 4.51 2283 1880 A 56 LYS H A 57 LYS HBx 1.0 . 4.51 2284 1881 A 56 LYS HBx A 74 ASN HD2x 1.0 . 5.26 2285 1881 A 56 LYS HBx A 74 ASN HD2y 1.0 . 5.26 2286 1882 A 56 LYS HBy A 74 ASN HD2x 1.0 . 4.36 2287 1882 A 56 LYS HBy A 74 ASN HD2y 1.0 . 4.36 2288 1883 A 57 LYS H A 57 LYS HBy 1.0 . 2.58 2289 1883 A 57 LYS H A 57 LYS HBx 1.0 . 2.58 2290 1884 A 58 HIS H A 57 LYS HBy 1.0 . 3.19 2291 1884 A 58 HIS H A 57 LYS HBx 1.0 . 3.19 2292 1885 A 58 HIS HD2 A 57 LYS HBy 1.0 . 3.51 2293 1885 A 58 HIS HD2 A 57 LYS HBx 1.0 . 3.51 2294 1886 A 57 LYS HGx A 58 HIS HBy 1.0 . 5.34 2295 1886 A 57 LYS HGy A 58 HIS HBy 1.0 . 5.34 2296 1886 A 58 HIS HBx A 57 LYS HGx 1.0 . 5.34 2297 1886 A 57 LYS HGy A 58 HIS HBx 1.0 . 5.34 2298 1887 A 58 HIS H A 58 HIS HBy 1.0 . 3.21 2299 1887 A 58 HIS H A 58 HIS HBx 1.0 . 3.21 2300 1888 A 58 HIS HD2 A 58 HIS HBy 1.0 . 3.46 2301 1888 A 58 HIS HD2 A 58 HIS HBx 1.0 . 3.46 2302 1889 A 59 ILE H A 58 HIS HBy 1.0 . 4.19 2303 1889 A 59 ILE H A 58 HIS HBx 1.0 . 4.19 2304 1890 A 82 ASN HD2y A 58 HIS HBy 1.0 . 4.19 2305 1890 A 82 ASN HD2y A 58 HIS HBx 1.0 . 4.19 2306 1891 A 84 PHE H A 58 HIS HBy 1.0 . 5.34 2307 1891 A 84 PHE H A 58 HIS HBx 1.0 . 5.34 2308 1892 A 84 PHE HD% A 58 HIS HBy 1.0 . 3.80 2309 1892 A 84 PHE HD% A 58 HIS HBx 1.0 . 3.80 2310 1893 A 59 ILE HA A 85 ILE HG1x 1.0 . 4.35 2311 1893 A 59 ILE HA A 85 ILE HG1y 1.0 . 4.35 2312 1894 A 60 THR HA A 61 ASN HD2x 1.0 . 5.22 2313 1894 A 60 THR HA A 61 ASN HD2y 1.0 . 5.22 2314 1895 A 61 ASN H A 61 ASN HBy 1.0 . 3.04 2315 1895 A 61 ASN H A 61 ASN HBx 1.0 . 3.04 2316 1896 A 61 ASN H A 61 ASN HD2x 1.0 . 4.09 2317 1896 A 61 ASN H A 61 ASN HD2y 1.0 . 4.09 2318 1897 A 61 ASN HA A 61 ASN HD2x 1.0 . 4.42 2319 1897 A 61 ASN HD2y A 61 ASN HA 1.0 . 4.42 2320 1898 A 61 ASN HD2y A 61 ASN HBy 1.0 . 2.89 2321 1898 A 61 ASN HD2x A 61 ASN HBy 1.0 . 2.89 2322 1898 A 61 ASN HD2y A 61 ASN HBx 1.0 . 2.89 2323 1898 A 61 ASN HD2x A 61 ASN HBx 1.0 . 2.89 2324 1899 A 62 THR HG2% A 61 ASN HBy 1.0 . 4.57 2325 1899 A 62 THR HG2% A 61 ASN HBx 1.0 . 4.57 2326 1900 A 86 TYR HE% A 61 ASN HBy 1.0 . 5.04 2327 1900 A 86 TYR HE% A 61 ASN HBx 1.0 . 5.04 2328 1901 A 63 ARG H A 64 ASP HBy 1.0 . 5.34 2329 1901 A 63 ARG H A 64 ASP HBx 1.0 . 5.34 2330 1902 A 64 ASP H A 64 ASP HBy 1.0 . 2.81 2331 1902 A 64 ASP H A 64 ASP HBx 1.0 . 2.81 2332 1903 A 64 ASP H A 65 VAL HG2% 1.0 . 4.40 2333 1903 A 64 ASP H A 65 VAL HG1% 1.0 . 4.40 2334 1904 A 65 VAL H A 64 ASP HBy 1.0 . 3.96 2335 1904 A 65 VAL H A 64 ASP HBx 1.0 . 3.96 2336 1905 A 65 VAL H A 65 VAL HG2% 1.0 . 2.52 2337 1905 A 65 VAL H A 65 VAL HG1% 1.0 . 2.52 2338 1906 A 66 ASP H A 65 VAL HG2% 1.0 . 2.90 2339 1906 A 66 ASP H A 65 VAL HG1% 1.0 . 2.90 2340 1907 A 67 CYS H A 65 VAL HG2% 1.0 . 3.10 2341 1907 A 67 CYS H A 65 VAL HG1% 1.0 . 3.10 2342 1908 A 65 VAL HG2% A 67 CYS HBy 1.0 . 4.86 2343 1908 A 65 VAL HG1% A 67 CYS HBy 1.0 . 4.86 2344 1908 A 67 CYS HBx A 65 VAL HG2% 1.0 . 4.86 2345 1908 A 65 VAL HG1% A 67 CYS HBx 1.0 . 4.86 2346 1909 A 70 ILE H A 65 VAL HG2% 1.0 . 4.40 2347 1909 A 70 ILE H A 65 VAL HG1% 1.0 . 4.40 2348 1910 A 70 ILE HD1% A 65 VAL HG2% 1.0 . 4.27 2349 1910 A 70 ILE HD1% A 65 VAL HG1% 1.0 . 4.27 2350 1911 A 82 ASN HD2x A 65 VAL HG2% 1.0 . 4.87 2351 1911 A 82 ASN HD2x A 65 VAL HG1% 1.0 . 4.87 2352 1912 A 84 PHE H A 65 VAL HG2% 1.0 . 5.44 2353 1912 A 84 PHE H A 65 VAL HG1% 1.0 . 5.44 2354 1913 A 84 PHE HBx A 65 VAL HG2% 1.0 . 4.76 2355 1913 A 84 PHE HBx A 65 VAL HG1% 1.0 . 4.76 2356 1914 A 84 PHE HBy A 65 VAL HG2% 1.0 . 4.33 2357 1914 A 84 PHE HBy A 65 VAL HG1% 1.0 . 4.33 2358 1915 A 84 PHE HD% A 65 VAL HG2% 1.0 . 4.10 2359 1915 A 84 PHE HD% A 65 VAL HG1% 1.0 . 4.10 2360 1916 A 84 PHE HE% A 65 VAL HG2% 1.0 . 3.53 2361 1916 A 84 PHE HE% A 65 VAL HG1% 1.0 . 3.53 2362 1917 A 84 PHE HZ A 65 VAL HG2% 1.0 . 4.16 2363 1917 A 84 PHE HZ A 65 VAL HG1% 1.0 . 4.16 2364 1918 A 114 SER HBy A 65 VAL HG2% 1.0 . 4.66 2365 1918 A 114 SER HBy A 65 VAL HG1% 1.0 . 4.66 2366 1919 A 114 SER HG A 65 VAL HG2% 1.0 . 3.82 2367 1919 A 114 SER HG A 65 VAL HG1% 1.0 . 3.82 2368 1920 A 67 CYS H A 67 CYS HBy 1.0 . 3.41 2369 1920 A 67 CYS H A 67 CYS HBx 1.0 . 3.41 2370 1921 A 67 CYS H A 68 ASP HBy 1.0 . 4.94 2371 1921 A 67 CYS H A 68 ASP HBx 1.0 . 4.94 2372 1922 A 68 ASP H A 67 CYS HBy 1.0 . 4.39 2373 1922 A 68 ASP H A 67 CYS HBx 1.0 . 4.39 2374 1923 A 68 ASP H A 68 ASP HBy 1.0 . 3.08 2375 1923 A 68 ASP H A 68 ASP HBx 1.0 . 3.08 2376 1924 A 69 ASN H A 68 ASP HBy 1.0 . 3.40 2377 1924 A 69 ASN H A 68 ASP HBx 1.0 . 3.40 2378 1925 A 69 ASN HD2x A 68 ASP HBy 1.0 . 5.30 2379 1925 A 69 ASN HD2x A 68 ASP HBx 1.0 . 5.30 2380 1926 A 72 SER H A 72 SER HBx 1.0 . 2.84 2381 1926 A 72 SER H A 72 SER HBy 1.0 . 2.84 2382 1927 A 73 THR H A 72 SER HBx 1.0 . 4.26 2383 1927 A 73 THR H A 72 SER HBy 1.0 . 4.26 2384 1928 A 73 THR HB A 74 ASN HD2x 1.0 . 3.69 2385 1928 A 73 THR HB A 74 ASN HD2y 1.0 . 3.69 2386 1929 A 73 THR HG2% A 74 ASN HD2x 1.0 . 5.34 2387 1929 A 73 THR HG2% A 74 ASN HD2y 1.0 . 5.34 2388 1930 A 74 ASN H A 74 ASN HD2x 1.0 . 4.23 2389 1930 A 74 ASN H A 74 ASN HD2y 1.0 . 4.23 2390 1931 A 74 ASN HA A 74 ASN HD2x 1.0 . 4.85 2391 1931 A 74 ASN HA A 74 ASN HD2y 1.0 . 4.85 2392 1932 A 74 ASN HA A 75 LEU HDy% 1.0 . 4.42 2393 1932 A 74 ASN HA A 75 LEU HDx% 1.0 . 4.42 2394 1933 A 74 ASN HD2x A 74 ASN HBx 1.0 . 3.16 2395 1933 A 74 ASN HD2y A 74 ASN HBx 1.0 . 3.16 2396 1933 A 74 ASN HBy A 74 ASN HD2x 1.0 . 3.16 2397 1933 A 74 ASN HBy A 74 ASN HD2y 1.0 . 3.16 2398 1934 A 75 LEU H A 74 ASN HD2x 1.0 . 4.44 2399 1934 A 75 LEU H A 74 ASN HD2y 1.0 . 4.44 2400 1935 A 74 ASN HD2x A 75 LEU HDy% 1.0 . 5.27 2401 1935 A 74 ASN HD2x A 75 LEU HDx% 1.0 . 5.27 2402 1935 A 74 ASN HD2y A 75 LEU HDx% 1.0 . 5.27 2403 1935 A 74 ASN HD2y A 75 LEU HDy% 1.0 . 5.27 2404 1936 A 75 LEU H A 75 LEU HBx 1.0 . 2.77 2405 1936 A 75 LEU H A 75 LEU HBy 1.0 . 2.77 2406 1937 A 75 LEU HA A 75 LEU HDy% 1.0 . 3.25 2407 1937 A 75 LEU HA A 75 LEU HDx% 1.0 . 3.25 2408 1938 A 76 PHE H A 75 LEU HBx 1.0 . 4.00 2409 1938 A 76 PHE H A 75 LEU HBy 1.0 . 4.00 2410 1939 A 79 LYS HZ% A 75 LEU HBx 1.0 . 3.46 2411 1939 A 79 LYS HZ% A 75 LEU HBy 1.0 . 3.46 2412 1940 A 82 ASN HD2x A 75 LEU HBx 1.0 . 4.54 2413 1940 A 82 ASN HD2x A 75 LEU HBy 1.0 . 4.54 2414 1941 A 84 PHE HZ A 75 LEU HBx 1.0 . 4.25 2415 1941 A 84 PHE HZ A 75 LEU HBy 1.0 . 4.25 2416 1942 A 76 PHE H A 75 LEU HDy% 1.0 . 4.18 2417 1942 A 76 PHE H A 75 LEU HDx% 1.0 . 4.18 2418 1943 A 79 LYS HZ% A 75 LEU HDy% 1.0 . 3.61 2419 1943 A 79 LYS HZ% A 75 LEU HDx% 1.0 . 3.61 2420 1944 A 82 ASN HD2x A 75 LEU HDy% 1.0 . 4.18 2421 1944 A 82 ASN HD2x A 75 LEU HDx% 1.0 . 4.18 2422 1945 A 84 PHE HE% A 75 LEU HDy% 1.0 . 4.36 2423 1945 A 84 PHE HE% A 75 LEU HDx% 1.0 . 4.36 2424 1946 A 84 PHE HZ A 75 LEU HDy% 1.0 . 3.87 2425 1946 A 84 PHE HZ A 75 LEU HDx% 1.0 . 3.87 2426 1947 A 78 CYS H A 78 CYS HBy 1.0 . 3.66 2427 1947 A 78 CYS H A 78 CYS HBx 1.0 . 3.66 2428 1948 A 79 LYS H A 79 LYS HDy 1.0 . 3.92 2429 1948 A 79 LYS H A 79 LYS HDx 1.0 . 3.92 2430 1949 A 80 ASP H A 79 LYS HDy 1.0 . 4.12 2431 1949 A 80 ASP H A 79 LYS HDx 1.0 . 4.12 2432 1950 A 81 LYS H A 79 LYS HDy 1.0 . 4.89 2433 1950 A 81 LYS H A 79 LYS HDx 1.0 . 4.89 2434 1951 A 81 LYS HA A 79 LYS HDy 1.0 . 3.88 2435 1951 A 81 LYS HA A 79 LYS HDx 1.0 . 3.88 2436 1952 A 79 LYS HZ% A 82 ASN HBy 1.0 . 4.15 2437 1952 A 79 LYS HZ% A 82 ASN HBx 1.0 . 4.15 2438 1953 A 80 ASP H A 118 VAL HGy% 1.0 . 5.19 2439 1953 A 80 ASP H A 118 VAL HGx% 1.0 . 5.19 2440 1954 A 80 ASP HA A 118 VAL HGy% 1.0 . 4.09 2441 1954 A 80 ASP HA A 118 VAL HGx% 1.0 . 4.09 2442 1955 A 80 ASP HBx A 118 VAL HGy% 1.0 . 3.47 2443 1955 A 80 ASP HBy A 118 VAL HGy% 1.0 . 3.47 2444 1955 A 118 VAL HGx% A 80 ASP HBx 1.0 . 3.47 2445 1955 A 80 ASP HBy A 118 VAL HGx% 1.0 . 3.47 2446 1956 A 81 LYS H A 118 VAL HGy% 1.0 . 5.05 2447 1956 A 81 LYS H A 118 VAL HGx% 1.0 . 5.05 2448 1957 A 117 ASN HD2x A 81 LYS HBx 1.0 . 4.79 2449 1957 A 117 ASN HD2y A 81 LYS HBx 1.0 . 4.79 2450 1958 A 117 ASN HD2y A 81 LYS HDx 1.0 . 4.55 2451 1958 A 117 ASN HD2x A 81 LYS HDx 1.0 . 4.55 2452 1958 A 117 ASN HD2y A 81 LYS HDy 1.0 . 4.55 2453 1958 A 117 ASN HD2x A 81 LYS HDy 1.0 . 4.55 2454 1959 A 117 ASN HD2y A 81 LYS HEx 1.0 . 4.41 2455 1959 A 117 ASN HD2y A 81 LYS HEy 1.0 . 4.41 2456 1959 A 117 ASN HD2x A 81 LYS HEx 1.0 . 4.41 2457 1959 A 117 ASN HD2x A 81 LYS HEy 1.0 . 4.41 2458 1960 A 82 ASN H A 116 CYS HBy 1.0 . 3.74 2459 1960 A 82 ASN H A 116 CYS HBx 1.0 . 3.74 2460 1961 A 82 ASN HD2x A 82 ASN HBy 1.0 . 2.97 2461 1961 A 82 ASN HD2x A 82 ASN HBx 1.0 . 2.97 2462 1962 A 83 THR H A 82 ASN HBy 1.0 . 4.35 2463 1962 A 83 THR H A 82 ASN HBx 1.0 . 4.35 2464 1963 A 84 PHE HE% A 82 ASN HBy 1.0 . 5.34 2465 1963 A 84 PHE HE% A 82 ASN HBx 1.0 . 5.34 2466 1964 A 84 PHE HZ A 82 ASN HBy 1.0 . 4.48 2467 1964 A 84 PHE HZ A 82 ASN HBx 1.0 . 4.48 2468 1965 A 85 ILE H A 85 ILE HG1x 1.0 . 2.86 2469 1965 A 85 ILE H A 85 ILE HG1y 1.0 . 2.86 2470 1966 A 85 ILE HA A 113 LEU HD2% 1.0 . 4.00 2471 1966 A 85 ILE HA A 113 LEU HD1% 1.0 . 4.00 2472 1967 A 114 SER H A 85 ILE HG1x 1.0 . 5.28 2473 1967 A 114 SER H A 85 ILE HG1y 1.0 . 5.28 2474 1968 A 86 TYR H A 113 LEU HD2% 1.0 . 5.15 2475 1968 A 86 TYR H A 113 LEU HD1% 1.0 . 5.15 2476 1969 A 88 ARG H A 88 ARG HBy 1.0 . 2.71 2477 1969 A 88 ARG H A 88 ARG HBx 1.0 . 2.71 2478 1970 A 88 ARG H A 88 ARG HDy 1.0 . 4.12 2479 1970 A 88 ARG H A 88 ARG HDx 1.0 . 4.12 2480 1971 A 88 ARG HBx A 89 PRO HDx 1.0 . 4.09 2481 1971 A 88 ARG HBy A 89 PRO HDx 1.0 . 4.09 2482 1971 A 89 PRO HDy A 88 ARG HBy 1.0 . 4.09 2483 1971 A 88 ARG HBx A 89 PRO HDy 1.0 . 4.09 2484 1972 A 91 PRO HDx A 88 ARG HBy 1.0 . 3.69 2485 1972 A 91 PRO HDx A 88 ARG HBx 1.0 . 3.69 2486 1973 A 91 PRO HDy A 88 ARG HBy 1.0 . 4.26 2487 1973 A 91 PRO HDy A 88 ARG HBx 1.0 . 4.26 2488 1974 A 88 ARG HGy A 89 PRO HDx 1.0 . 4.54 2489 1974 A 88 ARG HGx A 89 PRO HDx 1.0 . 4.54 2490 1974 A 89 PRO HDy A 88 ARG HGx 1.0 . 4.54 2491 1974 A 88 ARG HGy A 89 PRO HDy 1.0 . 4.54 2492 1975 A 90 GLU H A 88 ARG HDy 1.0 . 5.34 2493 1975 A 90 GLU H A 88 ARG HDx 1.0 . 5.34 2494 1976 A 90 GLU H A 89 PRO HBx 1.0 . 4.03 2495 1976 A 90 GLU H A 89 PRO HBy 1.0 . 4.03 2496 1977 A 93 LYS H A 89 PRO HBx 1.0 . 5.15 2497 1977 A 93 LYS H A 89 PRO HBy 1.0 . 5.15 2498 1978 A 90 GLU H A 89 PRO HGx 1.0 . 3.97 2499 1978 A 90 GLU H A 89 PRO HGy 1.0 . 3.97 2500 1979 A 90 GLU H A 89 PRO HDx 1.0 . 3.38 2501 1979 A 90 GLU H A 89 PRO HDy 1.0 . 3.38 2502 1980 A 90 GLU H A 90 GLU HBy 1.0 . 2.41 2503 1980 A 90 GLU H A 90 GLU HBx 1.0 . 2.41 2504 1981 A 90 GLU H A 90 GLU HGx 1.0 . 4.04 2505 1981 A 90 GLU H A 90 GLU HGy 1.0 . 4.04 2506 1982 A 90 GLU HA A 90 GLU HGx 1.0 . 3.53 2507 1982 A 90 GLU HA A 90 GLU HGy 1.0 . 3.53 2508 1983 A 91 PRO HDy A 90 GLU HBy 1.0 . 3.56 2509 1983 A 91 PRO HDy A 90 GLU HBx 1.0 . 3.56 2510 1984 A 92 VAL H A 90 GLU HBy 1.0 . 4.64 2511 1984 A 92 VAL H A 90 GLU HBx 1.0 . 4.64 2512 1985 A 94 ALA H A 90 GLU HBy 1.0 . 5.33 2513 1985 A 94 ALA H A 90 GLU HBx 1.0 . 5.33 2514 1986 A 91 PRO HDy A 90 GLU HGx 1.0 . 4.24 2515 1986 A 91 PRO HDy A 90 GLU HGy 1.0 . 4.24 2516 1987 A 96 CYS H A 96 CYS HBy 1.0 . 3.07 2517 1987 A 96 CYS H A 96 CYS HBx 1.0 . 3.07 2518 1988 A 97 LYS H A 96 CYS HBy 1.0 . 2.49 2519 1988 A 97 LYS H A 96 CYS HBx 1.0 . 2.49 2520 1989 A 99 ILE H A 96 CYS HBy 1.0 . 5.34 2521 1989 A 99 ILE H A 96 CYS HBx 1.0 . 5.34 2522 1990 A 99 ILE HD1% A 96 CYS HBy 1.0 . 3.46 2523 1990 A 99 ILE HD1% A 96 CYS HBx 1.0 . 3.46 2524 1991 A 97 LYS H A 97 LYS HBx 1.0 . 3.06 2525 1991 A 97 LYS H A 97 LYS HBy 1.0 . 3.06 2526 1992 A 97 LYS H A 97 LYS HGy 1.0 . 4.63 2527 1992 A 97 LYS H A 97 LYS HGx 1.0 . 4.63 2528 1993 A 97 LYS H A 97 LYS HDy 1.0 . 4.62 2529 1993 A 97 LYS H A 97 LYS HDx 1.0 . 4.62 2530 1994 A 97 LYS HA A 97 LYS HGy 1.0 . 3.38 2531 1994 A 97 LYS HA A 97 LYS HGx 1.0 . 3.38 2532 1995 A 97 LYS HA A 97 LYS HDy 1.0 . 4.68 2533 1995 A 97 LYS HA A 97 LYS HDx 1.0 . 4.68 2534 1996 A 97 LYS HEx A 97 LYS HGy 1.0 . 3.36 2535 1996 A 97 LYS HEy A 97 LYS HGy 1.0 . 3.36 2536 1996 A 97 LYS HGx A 97 LYS HEx 1.0 . 3.36 2537 1996 A 97 LYS HEy A 97 LYS HGx 1.0 . 3.36 2538 1997 A 98 GLY H A 97 LYS HGy 1.0 . 3.66 2539 1997 A 98 GLY H A 97 LYS HGx 1.0 . 3.66 2540 1998 A 97 LYS HGx A 98 GLY HAx 1.0 . 5.18 2541 1998 A 97 LYS HGy A 98 GLY HAx 1.0 . 5.18 2542 1998 A 98 GLY HAy A 97 LYS HGy 1.0 . 5.18 2543 1998 A 98 GLY HAy A 97 LYS HGx 1.0 . 5.18 2544 1999 A 98 GLY H A 97 LYS HDy 1.0 . 3.76 2545 1999 A 98 GLY H A 97 LYS HDx 1.0 . 3.76 2546 2000 A 98 GLY H A 98 GLY HAx 1.0 . 2.51 2547 2000 A 98 GLY H A 98 GLY HAy 1.0 . 2.51 2548 2001 A 100 ILE HG1x A 98 GLY HAx 1.0 . 5.34 2549 2001 A 100 ILE HG1x A 98 GLY HAy 1.0 . 5.34 2550 2002 A 103 LYS H A 103 LYS HBy 1.0 . 3.22 2551 2002 A 103 LYS H A 103 LYS HBx 1.0 . 3.22 2552 2003 A 105 VAL H A 105 VAL HG2% 1.0 . 2.92 2553 2003 A 105 VAL H A 105 VAL HG1% 1.0 . 2.92 2554 2004 A 106 LEU H A 105 VAL HG2% 1.0 . 2.85 2555 2004 A 106 LEU H A 105 VAL HG1% 1.0 . 2.85 2556 2005 A 111 PHE HBx A 113 LEU HD2% 1.0 . 4.13 2557 2005 A 111 PHE HBx A 113 LEU HD1% 1.0 . 4.13 2558 2006 A 111 PHE HBy A 113 LEU HD2% 1.0 . 5.44 2559 2006 A 111 PHE HBy A 113 LEU HD1% 1.0 . 5.44 2560 2007 A 111 PHE HD% A 113 LEU HD2% 1.0 . 4.69 2561 2007 A 111 PHE HD% A 113 LEU HD1% 1.0 . 4.69 2562 2008 A 112 TYR H A 113 LEU HD2% 1.0 . 5.26 2563 2008 A 112 TYR H A 113 LEU HD1% 1.0 . 5.26 2564 2009 A 113 LEU H A 113 LEU HD2% 1.0 . 3.80 2565 2009 A 113 LEU H A 113 LEU HD1% 1.0 . 3.80 2566 2010 A 113 LEU HA A 113 LEU HD2% 1.0 . 3.38 2567 2010 A 113 LEU HA A 113 LEU HD1% 1.0 . 3.38 2568 2011 A 114 SER H A 113 LEU HD2% 1.0 . 4.02 2569 2011 A 114 SER H A 113 LEU HD1% 1.0 . 4.02 2570 2012 A 115 ASP H A 113 LEU HD2% 1.0 . 3.97 2571 2012 A 115 ASP H A 113 LEU HD1% 1.0 . 3.97 2572 2013 A 117 ASN HD2x A 115 ASP HBx 1.0 . 4.05 2573 2013 A 115 ASP HBx A 117 ASN HD2y 1.0 . 4.05 2574 2014 A 116 CYS H A 116 CYS HBy 1.0 . 2.95 2575 2014 A 116 CYS H A 116 CYS HBx 1.0 . 2.95 2576 2015 A 116 CYS H A 117 ASN HD2x 1.0 . 5.25 2577 2015 A 116 CYS H A 117 ASN HD2y 1.0 . 5.25 2578 2016 A 116 CYS HA A 117 ASN HD2x 1.0 . 5.07 2579 2016 A 116 CYS HA A 117 ASN HD2y 1.0 . 5.07 2580 2017 A 117 ASN H A 116 CYS HBy 1.0 . 4.48 2581 2017 A 117 ASN H A 116 CYS HBx 1.0 . 4.48 2582 2018 A 117 ASN H A 117 ASN HD2x 1.0 . 4.25 2583 2018 A 117 ASN H A 117 ASN HD2y 1.0 . 4.25 2584 2019 A 117 ASN HD2x A 117 ASN HA 1.0 . 4.01 2585 2019 A 117 ASN HD2y A 117 ASN HA 1.0 . 4.01 2586 2020 A 117 ASN HBx A 117 ASN HD2x 1.0 . 3.10 2587 2020 A 117 ASN HBx A 117 ASN HD2y 1.0 . 3.10 2588 2021 A 117 ASN HBy A 118 VAL HGy% 1.0 . 5.05 2589 2021 A 117 ASN HBy A 118 VAL HGx% 1.0 . 5.05 2590 2022 A 118 VAL H A 118 VAL HGy% 1.0 . 2.90 2591 2022 A 118 VAL H A 118 VAL HGx% 1.0 . 2.90 2592 2023 A 119 THR H A 118 VAL HGy% 1.0 . 2.72 2593 2023 A 119 THR H A 118 VAL HGx% 1.0 . 2.72 2594 2024 A 120 SER H A 118 VAL HGy% 1.0 . 4.22 2595 2024 A 120 SER H A 118 VAL HGx% 1.0 . 4.22 2596 2025 A 118 VAL HGy% A 120 SER HBx 1.0 . 5.30 2597 2025 A 118 VAL HGx% A 120 SER HBx 1.0 . 5.30 2598 2025 A 120 SER HBy A 118 VAL HGy% 1.0 . 5.30 2599 2025 A 120 SER HBy A 118 VAL HGx% 1.0 . 5.30 stop_ save_