#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvo s GLU 2 N 0.00 3.15 -0.88 0.00 2.12 -1.26 -4.57 118.70 117.26 1jvo s GLU 2 Ca 0.00 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1jvo s GLU 2 Cb 0.00 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1jvo s GLU 2 CO 0.00 -0.32 0.00 0.00 -0.54 0.00 0.00 175.26 174.40 1jvo s SER 4 N -2.61 -0.58 -0.02 0.00 1.04 -1.26 -1.70 113.70 108.56 1jvo s SER 4 Ca 0.00 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.93 1jvo s SER 4 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1jvo s SER 4 CO 0.00 -0.60 0.11 0.54 0.98 0.00 0.00 173.24 174.28 1jvo s VAL 5 N -1.52 0.05 -0.27 5.02 0.11 -0.40 -3.46 120.40 119.93 1jvo s VAL 5 Ca -0.07 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1jvo s VAL 5 Cb -0.00 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1jvo s VAL 5 CO 0.05 -0.22 0.08 -1.81 -3.33 0.00 0.00 175.10 169.87 1jvo s ASP 6 N -0.73 5.13 0.00 3.54 1.11 -1.26 -1.84 116.67 122.62 1jvo s ASP 6 Ca -0.08 -0.38 0.06 0.00 0.18 0.00 0.00 52.55 52.33 1jvo s ASP 6 Cb -0.05 -1.91 -0.02 0.00 1.07 0.00 0.00 42.92 42.01 1jvo s ASP 6 CO 0.01 -0.09 -0.19 -0.51 1.18 0.00 0.00 175.17 175.56 1jvo s ILE 7 N 1.58 1.50 0.04 0.77 2.07 -0.69 -5.00 121.20 121.47 1jvo s ILE 7 Ca 0.05 -0.91 0.08 0.00 -1.41 0.00 0.00 60.65 58.46 1jvo s ILE 7 Cb -0.16 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.14 1jvo s ILE 7 CO 0.03 0.34 -0.22 -1.10 -1.91 0.00 0.00 174.94 172.09 1jvo s GLN 8 N -0.66 1.53 -0.19 3.50 -0.21 -1.26 -2.17 119.66 120.20 1jvo s GLN 8 Ca 0.07 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.50 1jvo s GLN 8 Cb -0.08 -1.63 0.04 0.00 1.00 0.00 0.00 33.01 32.34 1jvo s GLN 8 CO -0.00 0.42 -0.12 0.20 -2.12 0.00 0.00 175.29 173.67 1jvo s GLY 9 N -1.10 1.27 0.56 3.09 0.00 -0.86 -1.43 107.32 108.85 1jvo s GLY 9 Ca 0.09 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.68 1jvo s GLY 9 CO 0.01 0.61 0.77 1.16 0.00 0.00 0.00 173.10 175.66 1jvo n ASN 10 N 4.68 1.55 0.16 1.64 0.23 -0.87 -4.01 115.26 118.64 1jvo n ASN 10 Ca -0.16 -2.18 0.13 0.00 -0.53 0.00 0.00 54.58 51.84 1jvo n ASN 10 Cb 0.47 -0.45 0.51 0.00 -2.08 0.00 0.00 39.78 38.24 1jvo n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jvo h ASP 11 N -0.18 0.00 -0.08 0.53 3.32 -1.91 -2.27 116.42 115.84 1jvo h ASP 11 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jvo h ASP 11 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1jvo h ASP 11 CO 0.32 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1jvo n GLN 12 N -2.42 1.26 -3.56 3.56 3.00 -1.26 -4.86 117.38 113.09 1jvo n GLN 12 Ca 0.02 -0.31 -0.20 0.00 -0.01 0.00 0.00 57.00 56.50 1jvo n GLN 12 Cb 0.27 -1.22 0.07 0.00 0.00 0.00 0.00 30.24 29.36 1jvo n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1jvo n MET 13 N -0.16 -6.48 -4.00 -1.09 1.56 -0.85 -5.00 117.12 101.09 1jvo n MET 13 Ca 0.03 0.78 -0.10 0.00 -0.27 0.00 0.00 57.70 58.13 1jvo n MET 13 Cb 0.15 -5.70 -0.11 0.00 2.15 0.00 0.00 33.22 29.71 1jvo n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1jvo s GLN 14 N -5.80 0.37 0.20 2.12 -0.21 -1.25 -4.45 119.66 110.63 1jvo s GLN 14 Ca 0.18 -0.64 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 1jvo s GLN 14 Cb -0.08 -0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.86 1jvo s GLN 14 CO 0.76 -0.02 0.44 -0.06 -2.12 0.00 0.00 175.29 174.29 1jvo s PHE 15 N -1.39 3.47 -0.32 0.91 0.08 -1.26 -2.04 117.98 117.43 1jvo s PHE 15 Ca -0.14 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.50 1jvo s PHE 15 Cb -0.10 -2.02 0.31 0.00 -0.57 0.00 0.00 43.02 40.64 1jvo s PHE 15 CO -0.01 0.35 1.31 0.27 -0.10 0.00 0.00 175.22 177.04 1jvo n ASN 16 N -0.33 3.26 0.00 1.36 6.94 -0.52 -4.82 115.26 121.15 1jvo n ASN 16 Ca -0.02 -2.62 0.00 0.00 -0.02 0.00 0.00 54.58 51.92 1jvo n ASN 16 Cb 0.53 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1jvo n ASN 16 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1jvo n THR 17 N -0.09 0.00 -0.99 5.53 5.66 -1.26 -4.92 114.28 118.21 1jvo n THR 17 Ca 0.22 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.25 1jvo n THR 17 Cb 0.92 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.74 1jvo n THR 17 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1jvo n ASN 18 N 0.00 1.27 -3.68 1.09 0.23 -1.26 -4.88 115.26 108.02 1jvo n ASN 18 Ca 0.00 -2.15 -0.12 0.00 -0.53 0.00 0.00 54.58 51.78 1jvo n ASN 18 Cb 0.00 -0.18 -0.12 0.00 -2.08 0.00 0.00 39.78 37.40 1jvo n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jvo s ALA 19 N -1.17 -0.70 -0.07 -2.53 0.00 -1.26 -0.98 121.76 115.05 1jvo s ALA 19 Ca 0.10 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.21 1jvo s ALA 19 Cb 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1jvo s ALA 19 CO 0.01 -0.49 -0.24 0.42 0.00 0.00 0.00 175.76 175.46 1jvo s ILE 20 N 2.01 2.13 -0.18 0.00 1.01 0.12 -4.96 121.20 121.32 1jvo s ILE 20 Ca -0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1jvo s ILE 20 Cb -0.11 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1jvo s ILE 20 CO -0.10 0.57 -0.12 -0.89 0.00 0.00 0.00 174.94 174.40 1jvo s THR 21 N -0.01 2.78 -0.26 2.92 2.01 -1.26 -1.06 115.64 120.76 1jvo s THR 21 Ca -0.08 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 1jvo s THR 21 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1jvo s THR 21 CO 0.05 0.49 0.15 -0.69 -0.69 0.00 0.00 174.62 173.93 1jvo s VAL 22 N 1.17 4.97 0.01 3.82 1.01 0.33 -4.98 120.40 126.73 1jvo s VAL 22 Ca 0.01 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1jvo s VAL 22 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1jvo s VAL 22 CO -0.05 0.29 1.36 -0.62 0.00 0.00 0.00 175.10 176.08 1jvo s ASP 23 N 1.63 6.89 0.57 3.32 -1.08 -1.26 -1.90 116.67 124.85 1jvo s ASP 23 Ca 0.07 2.08 0.27 0.00 -0.52 0.00 0.00 52.55 54.45 1jvo s ASP 23 Cb -0.15 -2.56 1.57 0.00 -1.46 0.00 0.00 42.92 40.31 1jvo s ASP 23 CO 0.08 -0.67 2.08 0.11 0.52 0.00 0.00 175.17 177.28 1jvo h LYS 24 N 7.61 0.00 0.00 4.34 1.57 -1.38 -0.54 116.57 128.16 1jvo h LYS 24 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1jvo h LYS 24 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1jvo h LYS 24 CO 0.89 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.43 1jvo h SER 25 N 0.00 0.00 -3.22 0.86 4.64 -1.91 -3.43 113.55 110.49 1jvo h SER 25 Ca 0.11 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.90 1jvo h SER 25 Cb 0.56 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1jvo h SER 25 CO -0.00 0.00 0.60 0.00 -0.87 0.00 0.00 176.83 176.56 1jvo h LYS 27 N 6.43 0.41 -4.40 0.00 6.56 -1.88 -3.42 116.57 120.27 1jvo h LYS 27 Ca -0.42 -0.25 -0.17 0.00 -1.06 0.00 0.00 60.65 58.75 1jvo h LYS 27 Cb 1.21 0.02 -0.15 0.00 -0.57 0.00 0.00 32.23 32.74 1jvo h LYS 27 CO 0.81 0.83 -0.69 1.14 -2.06 0.00 0.00 179.45 179.48 1jvo s GLN 28 N -4.12 0.68 0.15 3.15 -2.07 -1.26 -0.55 119.66 115.64 1jvo s GLN 28 Ca -0.14 -1.22 0.11 0.00 -1.82 0.00 0.00 55.36 52.29 1jvo s GLN 28 Cb 0.05 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1jvo s GLN 28 CO 0.77 -0.07 -0.25 0.12 -1.32 0.00 0.00 175.29 174.54 1jvo s PHE 29 N -3.61 2.32 -0.03 9.60 5.36 0.20 -4.81 117.98 127.01 1jvo s PHE 29 Ca 0.07 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1jvo s PHE 29 Cb 0.06 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 1jvo s PHE 29 CO -0.07 0.41 -0.11 0.99 -1.46 0.00 0.00 175.22 174.97 1jvo s THR 30 N -1.31 0.93 -0.14 0.12 2.01 -0.69 -1.02 115.64 115.54 1jvo s THR 30 Ca 0.17 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1jvo s THR 30 Cb -0.09 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1jvo s THR 30 CO 0.08 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.38 1jvo s VAL 31 N 0.13 2.02 -0.30 3.82 1.01 -0.33 -1.28 120.40 125.48 1jvo s VAL 31 Ca -0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1jvo s VAL 31 Cb -0.09 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1jvo s VAL 31 CO 0.01 0.54 0.06 0.20 0.00 0.00 0.00 175.10 175.91 1jvo s ASN 32 N 0.82 5.03 -0.14 3.32 0.01 -0.77 -1.49 114.94 121.72 1jvo s ASN 32 Ca -0.07 -0.82 -0.07 0.00 -0.71 0.00 0.00 52.86 51.19 1jvo s ASN 32 Cb -0.15 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1jvo s ASN 32 CO -0.02 -0.21 0.10 -0.22 -1.51 0.00 0.00 177.10 175.25 1jvo s LEU 33 N 1.45 4.14 0.05 0.60 2.96 0.13 -1.71 118.68 126.31 1jvo s LEU 33 Ca 0.01 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1jvo s LEU 33 Cb -0.18 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1jvo s LEU 33 CO 0.01 0.32 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.34 1jvo s SER 34 N -0.50 1.01 -0.51 3.68 1.04 -0.92 -0.90 113.70 116.59 1jvo s SER 34 Ca 0.11 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1jvo s SER 34 Cb -0.12 0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.16 1jvo s SER 34 CO 0.02 -0.20 0.27 -2.28 0.98 0.00 0.00 173.24 172.03 1jvo s HIS 35 N -1.51 3.36 -1.55 5.02 2.46 -0.89 -2.02 115.29 120.16 1jvo s HIS 35 Ca -0.07 -2.97 0.00 0.00 0.47 0.00 0.00 55.06 52.48 1jvo s HIS 35 Cb -0.09 -2.97 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 1jvo s HIS 35 CO 0.00 -0.82 0.76 -0.35 -2.47 0.00 0.00 174.74 171.87 1jvo n PRO 36 N 3.48 0.99 -0.20 2.88 -0.04 -1.26 -0.16 135.00 140.69 1jvo n PRO 36 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1jvo n PRO 36 Cb 0.36 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1jvo n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvo n GLY 37 N 0.27 0.34 0.00 0.55 0.00 -1.26 -4.90 105.19 100.19 1jvo n GLY 37 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1jvo n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jvo n ASN 38 N -1.34 4.43 -4.77 1.61 5.03 -1.26 -3.97 115.26 114.98 1jvo n ASN 38 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1jvo n ASN 38 Cb 0.00 0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 39.15 1jvo n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1jvo s LEU 39 N -3.79 4.41 0.90 3.41 1.43 -1.26 -4.70 118.68 119.08 1jvo s LEU 39 Ca 0.00 2.74 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 1jvo s LEU 39 Cb 0.00 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.70 1jvo s LEU 39 CO 0.00 -0.58 1.11 -2.16 0.23 0.00 0.00 176.35 174.95 1jvo s PRO 40 N -1.84 1.21 0.46 1.29 0.04 -1.26 -2.37 135.00 132.53 1jvo s PRO 40 Ca 0.49 0.49 0.30 0.00 0.04 0.00 0.00 61.00 62.33 1jvo s PRO 40 Cb -0.41 -1.83 1.40 0.00 0.04 0.00 0.00 34.50 33.70 1jvo s PRO 40 CO 0.54 -2.20 1.69 -0.22 0.04 0.00 0.00 177.00 176.86 1jvo h LYS 41 N -1.50 0.14 -0.21 4.56 3.64 -1.86 -1.54 116.57 119.79 1jvo h LYS 41 Ca -0.51 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1jvo h LYS 41 Cb 1.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1jvo h LYS 41 CO 0.59 0.09 0.04 0.00 -2.27 0.00 0.00 179.45 177.91 1jvo h VAL 43 N 0.15 1.00 -1.11 0.00 2.07 -1.79 -3.42 116.25 113.16 1jvo h VAL 43 Ca 0.07 -2.30 -0.49 0.00 0.82 0.00 0.00 66.70 64.80 1jvo h VAL 43 Cb 0.29 2.55 -0.42 0.00 -1.52 0.00 0.00 31.29 32.19 1jvo h VAL 43 CO 0.00 0.56 -0.89 0.80 0.02 0.00 0.00 177.57 178.06 1jvo n MET 44 N -4.14 2.80 -2.63 1.57 0.00 -0.63 -5.05 117.12 109.03 1jvo n MET 44 Ca -0.27 -4.05 -0.37 0.00 -0.00 0.00 0.00 57.70 53.01 1jvo n MET 44 Cb 0.79 -1.97 -0.05 0.00 0.00 0.00 0.00 33.22 31.99 1jvo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvo s GLY 45 N -3.49 2.76 0.08 -5.12 0.00 -0.99 -4.75 107.32 95.80 1jvo s GLY 45 Ca 0.42 0.64 0.03 0.00 0.00 0.00 0.00 44.72 45.81 1jvo s GLY 45 CO -0.07 1.08 -0.09 0.30 0.00 0.00 0.00 173.10 174.31 1jvo s HIS 46 N -1.64 0.93 0.26 1.90 3.76 -0.42 -4.70 115.29 115.38 1jvo s HIS 46 Ca 0.54 -0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 54.78 1jvo s HIS 46 Cb -0.21 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.94 1jvo s HIS 46 CO 0.26 -0.04 0.33 0.54 -0.85 0.00 0.00 174.74 174.98 1jvo s ASN 47 N -2.20 0.36 -0.14 1.40 2.20 -1.26 0.18 114.94 115.48 1jvo s ASN 47 Ca 0.01 -1.29 -0.00 0.00 -0.94 0.00 0.00 52.86 50.64 1jvo s ASN 47 Cb -0.04 0.53 0.03 0.00 -2.00 0.00 0.00 41.25 39.76 1jvo s ASN 47 CO -0.00 -1.06 -0.10 0.86 -2.94 0.00 0.00 177.10 173.86 1jvo s TRP 48 N -3.81 1.87 -0.05 1.54 -0.00 -1.26 -4.11 118.94 113.12 1jvo s TRP 48 Ca 0.32 -1.06 0.04 0.00 -0.00 0.00 0.00 56.10 55.39 1jvo s TRP 48 Cb 0.02 -1.43 -0.00 0.00 -0.00 0.00 0.00 33.47 32.07 1jvo s TRP 48 CO 0.14 -0.61 -0.17 0.08 -0.00 0.00 0.00 176.95 176.39 1jvo s VAL 49 N 1.58 1.44 -0.08 5.86 1.01 -0.25 -1.27 120.40 128.69 1jvo s VAL 49 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1jvo s VAL 49 Cb -0.13 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1jvo s VAL 49 CO -0.09 0.42 -0.17 -0.22 0.00 0.00 0.00 175.10 175.03 1jvo s LEU 50 N 0.17 2.51 0.20 3.92 2.96 -0.72 -1.31 118.68 126.42 1jvo s LEU 50 Ca -0.07 -0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.26 1jvo s LEU 50 Cb -0.13 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.09 1jvo s LEU 50 CO 0.03 0.25 0.88 -0.94 -1.32 0.00 0.00 176.35 175.25 1jvo s SER 51 N -0.15 -0.20 0.60 3.68 1.04 -0.61 -0.92 113.70 117.14 1jvo s SER 51 Ca -0.02 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.73 1jvo s SER 51 Cb -0.14 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1jvo s SER 51 CO 0.04 -1.07 1.18 0.42 0.98 0.00 0.00 173.24 174.79 1jvo s THR 52 N -3.45 2.76 0.30 2.02 -4.23 -1.26 -0.75 115.64 111.03 1jvo s THR 52 Ca 0.12 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1jvo s THR 52 Cb -0.03 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 70.96 1jvo s THR 52 CO 0.04 -0.12 1.82 0.00 -0.54 0.00 0.00 174.62 175.82 1jvo h ALA 53 N 0.80 1.64 0.00 3.99 0.00 -1.67 0.15 119.26 124.17 1jvo h ALA 53 Ca -0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1jvo h ALA 53 Cb 1.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jvo h ALA 53 CO 0.55 0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1jvo h ALA 54 N 1.59 1.40 -0.02 0.00 0.00 -1.90 -2.91 119.26 117.42 1jvo h ALA 54 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jvo h ALA 54 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jvo h ALA 54 CO -0.30 0.08 -0.39 -0.25 0.00 0.00 0.00 179.25 178.39 1jvo n ASP 55 N -3.74 2.08 0.05 0.00 8.00 0.01 -4.66 116.55 118.29 1jvo n ASP 55 Ca -0.02 -1.54 -0.11 0.00 0.71 0.00 0.00 54.79 53.83 1jvo n ASP 55 Cb 0.17 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1jvo n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jvo h MET 56 N 2.60 -0.35 -0.57 -1.24 4.05 -1.27 -0.82 114.93 117.34 1jvo h MET 56 Ca 0.00 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1jvo h MET 56 Cb 0.75 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.56 1jvo h MET 56 CO 0.00 -0.23 0.22 0.37 0.23 0.00 0.00 176.91 177.50 1jvo h GLN 57 N -0.36 0.41 0.44 0.39 5.75 -1.83 -0.41 115.11 119.49 1jvo h GLN 57 Ca 0.07 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1jvo h GLN 57 Cb 0.45 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1jvo h GLN 57 CO -0.22 0.27 -0.44 0.78 -2.65 0.00 0.00 178.83 176.56 1jvo h GLY 58 N 0.42 -1.07 0.36 2.39 0.00 -1.72 -0.44 103.07 103.01 1jvo h GLY 58 Ca 0.28 0.51 0.06 0.00 0.00 0.00 0.00 47.33 48.18 1jvo h GLY 58 CO -0.27 -0.34 -0.10 -2.08 0.00 0.00 0.00 176.54 173.75 1jvo h VAL 59 N -0.90 0.65 0.02 4.60 2.07 -0.74 -1.90 116.25 120.05 1jvo h VAL 59 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1jvo h VAL 59 Cb 0.79 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1jvo h VAL 59 CO -0.07 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 177.97 1jvo h VAL 60 N -0.05 0.67 -0.35 2.57 2.07 -0.99 0.34 116.25 120.50 1jvo h VAL 60 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1jvo h VAL 60 Cb 0.26 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1jvo h VAL 60 CO -0.32 0.00 0.14 0.74 0.02 0.00 0.00 177.57 178.15 1jvo h THR 61 N -0.24 0.92 -0.00 2.57 2.02 -0.82 -1.53 112.91 115.83 1jvo h THR 61 Ca 0.04 -0.10 -0.18 0.00 0.77 0.00 0.00 66.41 66.94 1jvo h THR 61 Cb 0.29 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1jvo h THR 61 CO -0.12 0.05 -0.83 0.44 0.37 0.00 0.00 175.52 175.44 1jvo h ASP 62 N 0.29 0.14 -0.51 4.18 3.32 -1.27 -3.16 116.42 119.42 1jvo h ASP 62 Ca 0.16 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1jvo h ASP 62 Cb 0.12 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1jvo h ASP 62 CO -0.15 0.91 0.27 1.23 -1.72 0.00 0.00 179.24 179.78 1jvo h GLY 63 N 2.08 0.72 0.71 2.75 0.00 0.06 -0.35 103.07 109.04 1jvo h GLY 63 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1jvo h GLY 63 CO 0.12 0.13 0.36 1.98 0.00 0.00 0.00 176.54 179.14 1jvo h MET 64 N 0.53 0.66 -0.41 4.80 1.85 -1.30 -1.90 114.93 119.17 1jvo h MET 64 Ca 0.22 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.22 1jvo h MET 64 Cb 0.11 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1jvo h MET 64 CO -0.14 0.44 0.02 0.00 -0.40 0.00 0.00 176.91 176.83 1jvo h ALA 65 N 1.33 1.28 -0.33 0.39 0.00 -1.21 -2.61 119.26 118.11 1jvo h ALA 65 Ca 0.29 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jvo h ALA 65 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jvo h ALA 65 CO -0.17 0.49 0.22 0.77 0.00 0.00 0.00 179.25 180.56 1jvo h SER 66 N 0.61 0.30 -4.57 0.00 0.02 -0.27 -3.48 113.55 106.16 1jvo h SER 66 Ca 0.13 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jvo h SER 66 Cb 0.35 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1jvo h SER 66 CO 0.01 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1jvo n GLY 67 N -1.51 -0.02 0.35 -3.77 0.00 -0.99 -4.41 105.19 94.85 1jvo n GLY 67 Ca 0.03 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.33 1jvo n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jvo h LEU 68 N 0.00 0.90 0.00 0.99 5.85 -1.90 -1.03 115.31 120.11 1jvo h LEU 68 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1jvo h LEU 68 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1jvo h LEU 68 CO 0.00 0.51 0.00 -0.90 -0.34 0.00 0.00 178.44 177.71 1jvo n ASP 69 N -4.62 0.00 -0.82 1.25 5.75 -1.26 -1.82 116.55 115.03 1jvo n ASP 69 Ca 0.17 -0.50 0.09 0.00 -0.01 0.00 0.00 54.79 54.53 1jvo n ASP 69 Cb 0.29 -0.10 0.25 0.00 -1.03 0.00 0.00 41.12 40.53 1jvo n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jvo n LYS 70 N -1.10 2.82 -2.69 0.11 4.76 -0.63 -4.92 118.16 116.51 1jvo n LYS 70 Ca 0.16 -2.79 -0.17 0.00 -2.87 0.00 0.00 58.31 52.63 1jvo n LYS 70 Cb 0.12 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 1jvo n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jvo n ASP 71 N -0.53 -4.61 -4.06 4.39 9.92 -0.76 -1.45 116.55 119.46 1jvo n ASP 71 Ca 0.20 -0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 54.14 1jvo n ASP 71 Cb 0.85 -3.84 -0.02 0.00 -0.64 0.00 0.00 41.12 37.47 1jvo n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jvo n TYR 72 N -3.78 -1.74 -3.80 1.24 4.01 -0.49 -4.78 117.16 107.82 1jvo n TYR 72 Ca -0.14 0.78 -0.13 0.00 -0.16 0.00 0.00 57.90 58.25 1jvo n TYR 72 Cb 0.62 -3.45 -0.14 0.00 -0.31 0.00 0.00 39.34 36.05 1jvo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jvo s LEU 73 N -7.12 1.24 0.12 7.72 1.43 -0.53 -4.29 118.68 117.24 1jvo s LEU 73 Ca 0.35 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 1jvo s LEU 73 Cb -0.19 0.20 -0.09 0.00 0.03 0.00 0.00 46.19 46.14 1jvo s LEU 73 CO 0.90 -0.09 1.54 -0.75 0.23 0.00 0.00 176.35 178.18 1jvo s LYS 74 N 0.67 4.24 0.21 1.70 2.20 -1.26 -4.84 119.74 122.65 1jvo s LYS 74 Ca -0.05 2.26 -0.32 0.00 -0.36 0.00 0.00 55.97 57.50 1jvo s LYS 74 Cb -0.07 -3.32 -0.14 0.00 -1.51 0.00 0.00 37.83 32.78 1jvo s LYS 74 CO -0.03 -0.60 1.36 -2.30 -0.36 0.00 0.00 175.35 173.42 1jvo n PRO 75 N 4.49 1.78 -3.98 4.03 -0.02 -1.26 -2.13 135.00 137.91 1jvo n PRO 75 Ca 0.14 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 1jvo n PRO 75 Cb 0.40 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1jvo n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jvo n ASP 76 N 2.27 -3.08 -4.63 2.55 8.00 -1.26 -4.88 116.55 115.52 1jvo n ASP 76 Ca 0.13 -0.89 -0.43 0.00 0.71 0.00 0.00 54.79 54.31 1jvo n ASP 76 Cb 0.29 -3.43 -0.02 0.00 -0.02 0.00 0.00 41.12 37.93 1jvo n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jvo s ASP 77 N -3.64 6.55 0.61 -2.24 -1.08 -0.91 -4.87 116.67 111.09 1jvo s ASP 77 Ca 0.48 1.38 0.37 0.00 -0.52 0.00 0.00 52.55 54.26 1jvo s ASP 77 Cb -0.25 -2.54 1.98 0.00 -1.46 0.00 0.00 42.92 40.65 1jvo s ASP 77 CO 0.87 -1.15 2.23 0.77 0.52 0.00 0.00 175.17 178.41 1jvo h SER 78 N 9.88 0.00 1.02 -0.34 4.64 -1.91 -2.41 113.55 124.42 1jvo h SER 78 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1jvo h SER 78 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jvo h SER 78 CO 1.02 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 177.54 1jvo n ARG 79 N -3.29 0.17 -3.01 4.77 1.74 -1.26 -4.70 116.66 111.08 1jvo n ARG 79 Ca -0.02 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 1jvo n ARG 79 Cb 0.15 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 1jvo n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jvo s VAL 80 N -3.16 4.75 0.02 1.55 1.01 -0.91 -4.51 120.40 119.16 1jvo s VAL 80 Ca 0.08 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1jvo s VAL 80 Cb 0.12 -4.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1jvo s VAL 80 CO 0.47 -0.52 1.30 0.40 0.00 0.00 0.00 175.10 176.75 1jvo h ILE 81 N 5.83 1.37 -2.96 2.22 2.04 -1.31 -3.48 117.51 121.23 1jvo h ILE 81 Ca -0.25 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1jvo h ILE 81 Cb 1.09 2.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.03 1jvo h ILE 81 CO 0.91 0.39 0.10 0.00 0.00 0.00 0.00 178.15 179.55 1jvo s ALA 82 N -4.18 -1.39 -0.17 1.87 0.00 -1.24 -5.03 121.76 111.62 1jvo s ALA 82 Ca -0.14 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1jvo s ALA 82 Cb 0.04 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.94 1jvo s ALA 82 CO 0.74 -0.64 0.98 -3.38 0.00 0.00 0.00 175.76 173.46 1jvo s HIS 83 N -3.24 -0.41 0.15 0.00 -3.43 -1.26 -1.75 115.29 105.35 1jvo s HIS 83 Ca -0.01 0.75 -0.00 0.00 -0.80 0.00 0.00 55.06 54.99 1jvo s HIS 83 Cb -0.00 0.43 0.03 0.00 -1.43 0.00 0.00 32.58 31.61 1jvo s HIS 83 CO -0.08 -0.34 0.20 0.25 -2.00 0.00 0.00 174.74 172.77 1jvo n THR 84 N 0.99 0.00 -2.62 -5.38 -2.24 -0.40 -4.86 114.28 99.78 1jvo n THR 84 Ca -0.11 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1jvo n THR 84 Cb 0.57 -1.37 0.10 0.00 -2.10 0.00 0.00 70.33 67.54 1jvo n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jvo s LYS 85 N -2.99 1.73 -0.19 -0.78 1.02 -1.26 -4.61 119.74 112.65 1jvo s LYS 85 Ca 0.13 -1.15 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 1jvo s LYS 85 Cb -0.01 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1jvo s LYS 85 CO 0.09 -1.40 0.64 -1.17 -0.92 0.00 0.00 175.35 172.58 1jvo s LEU 86 N -5.11 4.15 0.17 3.17 2.96 -1.26 -4.35 118.68 118.41 1jvo s LEU 86 Ca 0.66 0.85 0.11 0.00 -0.22 0.00 0.00 54.13 55.52 1jvo s LEU 86 Cb -0.05 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1jvo s LEU 86 CO 0.44 -0.27 -0.22 0.27 -1.32 0.00 0.00 176.35 175.24 1jvo s ILE 87 N 1.89 2.48 0.00 6.68 -4.36 0.13 -4.91 121.20 123.12 1jvo s ILE 87 Ca 0.29 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 1jvo s ILE 87 Cb -0.16 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1jvo s ILE 87 CO 0.10 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1jvo n GLY 88 N 0.45 3.65 3.61 6.27 0.00 -1.26 -1.30 105.19 116.61 1jvo n GLY 88 Ca -0.14 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.26 1jvo n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jvo n SER 89 N -1.50 1.76 0.00 1.61 2.88 -1.00 -1.55 113.62 115.82 1jvo n SER 89 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1jvo n SER 89 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 1jvo n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jvo n GLY 90 N 1.80 1.95 3.93 0.46 0.00 0.77 -4.97 105.19 109.13 1jvo n GLY 90 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1jvo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jvo s GLU 91 N 0.00 0.64 -0.08 1.61 2.02 -0.59 -4.84 118.70 117.46 1jvo s GLU 91 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 54.97 54.27 1jvo s GLU 91 Cb 0.00 -1.85 0.08 0.00 0.10 0.00 0.00 34.13 32.46 1jvo s GLU 91 CO 0.00 -2.41 0.74 0.21 0.02 0.00 0.00 175.26 173.81 1jvo s LYS 92 N -5.89 0.97 0.18 1.61 2.47 -1.26 -2.10 119.74 115.72 1jvo s LYS 92 Ca 0.74 0.27 -0.21 0.00 -1.56 0.00 0.00 55.97 55.22 1jvo s LYS 92 Cb -0.04 0.46 0.05 0.00 -1.46 0.00 0.00 37.83 36.84 1jvo s LYS 92 CO 0.53 -0.29 0.57 0.34 0.16 0.00 0.00 175.35 176.66 1jvo s ASP 93 N -1.10 -0.41 0.07 1.43 2.15 -0.08 -5.02 116.67 113.71 1jvo s ASP 93 Ca -0.09 -0.24 -0.03 0.00 0.43 0.00 0.00 52.55 52.62 1jvo s ASP 93 Cb -0.00 0.60 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1jvo s ASP 93 CO 0.08 -1.03 0.03 -0.44 -0.17 0.00 0.00 175.17 173.64 1jvo s SER 94 N -2.81 0.39 -0.10 -0.34 0.01 -1.26 0.22 113.70 109.81 1jvo s SER 94 Ca 0.05 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.28 1jvo s SER 94 Cb -0.01 0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.49 1jvo s SER 94 CO -0.08 -0.64 0.26 0.54 0.41 0.00 0.00 173.24 173.73 1jvo s VAL 95 N -3.92 -0.02 -0.05 3.43 0.11 -0.56 -4.87 120.40 114.53 1jvo s VAL 95 Ca 0.09 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1jvo s VAL 95 Cb 0.07 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1jvo s VAL 95 CO -0.09 0.03 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.58 1jvo s THR 96 N 0.71 1.97 0.13 5.04 2.01 -1.26 -1.19 115.64 123.05 1jvo s THR 96 Ca -0.05 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1jvo s THR 96 Cb -0.06 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1jvo s THR 96 CO -0.04 0.55 -0.01 0.72 -0.69 0.00 0.00 174.62 175.14 1jvo s PHE 97 N -0.22 0.98 -0.25 4.92 -0.71 -0.19 -4.96 117.98 117.55 1jvo s PHE 97 Ca -0.01 -1.03 -0.29 0.00 -1.04 0.00 0.00 56.93 54.56 1jvo s PHE 97 Cb -0.13 -0.57 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1jvo s PHE 97 CO 0.03 -0.26 1.06 -0.51 -1.34 0.00 0.00 175.22 174.19 1jvo s ASP 98 N -3.08 7.06 0.64 1.98 1.11 -1.26 -0.63 116.67 122.48 1jvo s ASP 98 Ca 0.18 1.32 0.27 0.00 0.18 0.00 0.00 52.55 54.50 1jvo s ASP 98 Cb 0.06 -2.54 1.43 0.00 1.07 0.00 0.00 42.92 42.94 1jvo s ASP 98 CO -0.01 -0.72 1.82 0.58 1.18 0.00 0.00 175.17 178.02 1jvo h VAL 99 N 5.51 0.12 -0.20 -1.27 2.07 -1.08 0.04 116.25 121.45 1jvo h VAL 99 Ca -0.20 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1jvo h VAL 99 Cb 1.06 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1jvo h VAL 99 CO 0.99 0.00 -0.09 0.77 0.02 0.00 0.00 177.57 179.27 1jvo h SER 100 N 0.00 0.28 0.02 0.57 4.64 -1.88 -2.54 113.55 114.64 1jvo h SER 100 Ca 0.08 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jvo h SER 100 Cb 1.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1jvo h SER 100 CO -0.00 0.41 -0.01 0.11 -0.87 0.00 0.00 176.83 176.47 1jvo h LYS 101 N 0.29 0.00 -6.64 4.77 1.57 -1.37 -3.41 116.57 111.79 1jvo h LYS 101 Ca 0.06 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.33 1jvo h LYS 101 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1jvo h LYS 101 CO 0.02 0.01 0.17 -0.51 -0.57 0.00 0.00 179.45 178.56 1jvo s LEU 102 N -7.89 4.36 -0.18 2.94 1.43 -0.96 -5.05 118.68 113.32 1jvo s LEU 102 Ca -0.05 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1jvo s LEU 102 Cb 0.15 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.75 1jvo s LEU 102 CO 0.57 0.02 -0.13 -1.59 0.23 0.00 0.00 176.35 175.46 1jvo s LYS 103 N -1.93 2.24 0.27 1.70 -2.85 -1.26 -5.03 119.74 112.89 1jvo s LYS 103 Ca 0.44 -0.77 -0.27 0.00 -1.00 0.00 0.00 55.97 54.37 1jvo s LYS 103 Cb -0.18 -2.36 -0.15 0.00 -2.06 0.00 0.00 37.83 33.08 1jvo s LYS 103 CO 0.22 -0.35 0.63 -1.91 0.10 0.00 0.00 175.35 174.04 1jvo n GLU 104 N 4.69 0.46 0.00 1.78 2.13 -1.26 -2.85 120.64 125.60 1jvo n GLU 104 Ca -0.16 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jvo n GLU 104 Cb 0.48 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1jvo n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jvo n GLY 105 N 1.77 2.80 3.91 8.31 0.00 -1.26 -5.06 105.19 115.66 1jvo n GLY 105 Ca 0.14 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1jvo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jvo s GLU 106 N 0.00 3.43 -0.17 1.61 2.12 -1.13 -5.06 118.70 119.49 1jvo s GLU 106 Ca 0.00 0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 1jvo s GLU 106 Cb 0.00 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1jvo s GLU 106 CO 0.00 -0.25 0.45 -0.65 -0.54 0.00 0.00 175.26 174.26 1jvo s GLN 107 N -4.74 4.23 0.00 4.30 -0.21 -1.26 -4.88 119.66 117.11 1jvo s GLN 107 Ca 0.48 0.33 0.07 0.00 0.02 0.00 0.00 55.36 56.26 1jvo s GLN 107 Cb -0.10 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1jvo s GLN 107 CO 0.44 0.01 -0.22 0.71 -2.12 0.00 0.00 175.29 174.11 1jvo s TYR 108 N 1.14 2.46 -0.00 0.91 2.02 -1.23 -1.81 117.35 120.83 1jvo s TYR 108 Ca 0.22 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1jvo s TYR 108 Cb -0.15 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1jvo s TYR 108 CO 0.09 0.12 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.39 1jvo s MET 109 N -0.99 1.19 0.07 -0.62 -1.94 0.07 -1.36 119.30 115.71 1jvo s MET 109 Ca 0.12 -0.58 0.10 0.00 -1.71 0.00 0.00 55.69 53.61 1jvo s MET 109 Cb -0.10 -1.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 1jvo s MET 109 CO 0.02 0.31 -0.26 -0.59 -0.01 0.00 0.00 175.02 174.49 1jvo s PHE 110 N -0.44 2.33 0.24 -0.03 -0.12 -0.14 -1.57 117.98 118.25 1jvo s PHE 110 Ca 0.05 -0.40 -0.21 0.00 -0.05 0.00 0.00 56.93 56.33 1jvo s PHE 110 Cb -0.06 -1.36 0.06 0.00 -0.63 0.00 0.00 43.02 41.03 1jvo s PHE 110 CO -0.00 0.19 0.93 -0.59 -0.05 0.00 0.00 175.22 175.70 1jvo s PHE 111 N -0.88 0.02 -0.18 3.49 -0.71 -0.42 -0.72 117.98 118.57 1jvo s PHE 111 Ca 0.12 -0.48 -0.07 0.00 -1.04 0.00 0.00 56.93 55.46 1jvo s PHE 111 Cb -0.10 0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 1jvo s PHE 111 CO 0.03 -1.10 0.06 0.00 -1.34 0.00 0.00 175.22 172.87 1jvo n THR 113 N 3.53 0.51 -2.18 0.00 -2.24 -1.26 -3.66 114.28 108.97 1jvo n THR 113 Ca -0.17 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1jvo n THR 113 Cb 0.52 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1jvo n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jvo s PHE 114 N -1.50 3.20 -0.50 4.78 2.19 -1.26 -4.46 117.98 120.43 1jvo s PHE 114 Ca 0.25 1.27 -0.47 0.00 0.33 0.00 0.00 56.93 58.31 1jvo s PHE 114 Cb 0.13 -3.63 -0.20 0.00 -1.31 0.00 0.00 43.02 38.01 1jvo s PHE 114 CO 0.17 -1.90 1.61 -2.30 1.83 0.00 0.00 175.22 174.62 1jvo n PRO 115 N 2.09 0.02 0.00 10.12 -0.02 -1.26 -1.16 135.00 144.79 1jvo n PRO 115 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1jvo n PRO 115 Cb 0.42 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1jvo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jvo n GLY 116 N 4.02 2.96 0.21 -1.23 0.00 -1.26 -4.90 105.19 104.99 1jvo n GLY 116 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1jvo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jvo h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.41 -3.20 115.15 116.00 1jvo h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jvo h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jvo h HIS 117 CO 0.00 0.29 0.00 -1.13 0.86 0.00 0.00 177.93 177.95 1jvo n SER 118 N -3.42 0.48 -0.23 2.45 3.41 -1.24 0.10 113.62 115.17 1jvo n SER 118 Ca 0.00 0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1jvo n SER 118 Cb 0.47 -0.74 0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1jvo n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvo h ALA 119 N 2.24 0.88 0.00 7.33 0.00 -1.92 -3.36 119.26 124.43 1jvo h ALA 119 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1jvo h ALA 119 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jvo h ALA 119 CO 0.00 0.67 -1.55 1.28 0.00 0.00 0.00 179.25 179.66 1jvo n LEU 120 N -4.20 0.00 -4.43 0.00 4.77 -0.84 -4.87 117.00 107.43 1jvo n LEU 120 Ca 0.04 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.58 1jvo n LEU 120 Cb 0.31 0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1jvo n LEU 120 CO 0.44 0.19 1.10 -0.04 -1.33 0.00 0.00 177.39 177.75 1jvo s MET 121 N -2.20 3.95 0.19 3.23 -1.94 0.29 -4.78 119.30 118.04 1jvo s MET 121 Ca -0.04 -2.50 -0.19 0.00 -1.71 0.00 0.00 55.69 51.25 1jvo s MET 121 Cb 0.02 -4.88 0.04 0.00 2.01 0.00 0.00 34.83 32.02 1jvo s MET 121 CO 0.33 -1.63 0.56 -1.59 -0.01 0.00 0.00 175.02 172.68 1jvo s LYS 122 N 1.18 1.37 0.13 2.03 0.00 -1.26 -2.54 119.74 120.66 1jvo s LYS 122 Ca 0.36 -0.76 -0.25 0.00 0.00 0.00 0.00 55.97 55.32 1jvo s LYS 122 Cb -0.05 0.55 0.08 0.00 0.00 0.00 0.00 37.83 38.40 1jvo s LYS 122 CO -0.04 -0.59 1.05 0.20 0.00 0.00 0.00 175.35 175.96 1jvo s GLY 123 N -2.84 -0.14 -0.01 0.59 0.00 0.10 -4.75 107.32 100.27 1jvo s GLY 123 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 1jvo s GLY 123 CO -0.05 1.02 0.15 -0.51 0.00 0.00 0.00 173.10 173.71 1jvo s THR 124 N -2.73 5.22 -0.15 0.90 -4.23 -0.15 -0.96 115.64 113.54 1jvo s THR 124 Ca 0.16 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1jvo s THR 124 Cb -0.01 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.44 1jvo s THR 124 CO 0.02 0.34 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.12 1jvo s LEU 125 N -1.86 1.61 0.16 4.79 0.20 -0.47 0.11 118.68 123.23 1jvo s LEU 125 Ca 0.26 -0.53 0.10 0.00 0.69 0.00 0.00 54.13 54.65 1jvo s LEU 125 Cb -0.12 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.56 1jvo s LEU 125 CO 0.17 -0.11 -0.20 0.42 -0.29 0.00 0.00 176.35 176.34 1jvo s THR 126 N 1.57 2.64 -0.47 3.68 -4.23 -0.22 -3.56 115.64 115.04 1jvo s THR 126 Ca 0.03 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1jvo s THR 126 Cb -0.14 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.57 1jvo s THR 126 CO -0.09 -0.03 0.36 -0.22 -0.54 0.00 0.00 174.62 174.10 1jvo s LEU 127 N -2.48 5.70 0.00 4.79 1.98 -1.26 -0.51 118.68 126.89 1jvo s LEU 127 Ca 0.20 -1.81 0.12 0.00 -2.89 0.00 0.00 54.13 49.75 1jvo s LEU 127 Cb -0.09 -2.05 0.10 0.00 0.66 0.00 0.00 46.19 44.81 1jvo s LEU 127 CO 0.10 -0.70 0.88 2.29 -1.89 0.00 0.00 176.35 177.04