#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 3.62 -1.37 0.00 2.12 -1.26 -4.56 118.70 117.24 1jvo s GLU 2 Ca 0.00 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1jvo s GLU 2 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1jvo s GLU 2 CO 0.00 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.67 1jvo s SER 4 N -2.80 -0.61 0.03 0.00 1.04 -1.26 -1.69 113.70 108.42 1jvo s SER 4 Ca 0.00 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1jvo s SER 4 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1jvo s SER 4 CO 0.00 -0.57 -0.07 0.54 0.98 0.00 0.00 173.24 174.12 1jvo s VAL 5 N -1.11 0.48 -0.23 5.02 0.11 -0.16 -3.20 120.40 121.29 1jvo s VAL 5 Ca -0.11 -0.85 -0.07 0.00 -2.93 0.00 0.00 61.98 58.02 1jvo s VAL 5 Cb -0.01 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1jvo s VAL 5 CO 0.09 -0.27 0.07 -1.81 -3.33 0.00 0.00 175.10 169.85 1jvo s ASP 6 N -1.21 5.29 0.03 3.54 1.11 -1.26 -1.33 116.67 122.85 1jvo s ASP 6 Ca -0.07 -0.13 0.05 0.00 0.18 0.00 0.00 52.55 52.57 1jvo s ASP 6 Cb -0.08 -1.94 -0.02 0.00 1.07 0.00 0.00 42.92 41.95 1jvo s ASP 6 CO 0.00 0.02 -0.14 -0.51 1.18 0.00 0.00 175.17 175.72 1jvo s ILE 7 N 1.31 1.08 0.09 0.77 2.07 0.32 -4.98 121.20 121.86 1jvo s ILE 7 Ca 0.05 -0.96 0.07 0.00 -1.41 0.00 0.00 60.65 58.41 1jvo s ILE 7 Cb -0.15 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1jvo s ILE 7 CO 0.04 0.02 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.79 1jvo s GLN 8 N -1.07 1.07 -0.14 3.50 -0.21 -1.26 -1.75 119.66 119.79 1jvo s GLN 8 Ca 0.01 -1.09 -0.00 0.00 0.02 0.00 0.00 55.36 54.31 1jvo s GLN 8 Cb -0.08 -1.26 0.03 0.00 1.00 0.00 0.00 33.01 32.70 1jvo s GLN 8 CO 0.01 0.29 -0.09 0.20 -2.12 0.00 0.00 175.29 173.58 1jvo s GLY 9 N -1.79 0.96 0.48 3.09 0.00 -0.78 -1.74 107.32 107.54 1jvo s GLY 9 Ca 0.04 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.12 1jvo s GLY 9 CO 0.04 0.74 0.63 1.16 0.00 0.00 0.00 173.10 175.67 1jvo n ASN 10 N 4.87 1.85 0.25 1.64 0.23 -0.91 -4.07 115.26 119.13 1jvo n ASN 10 Ca -0.14 -2.33 0.13 0.00 -0.53 0.00 0.00 54.58 51.71 1jvo n ASN 10 Cb 0.50 -0.32 0.63 0.00 -2.08 0.00 0.00 39.78 38.51 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 0.14 0.00 0.00 0.53 3.32 -1.91 -2.59 116.42 115.90 1jvo h ASP 11 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1jvo h ASP 11 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1jvo h ASP 11 CO 0.34 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 1jvo n GLN 12 N -3.42 0.87 -3.60 3.56 3.00 -1.26 -4.87 117.38 111.66 1jvo n GLN 12 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.78 1jvo n GLN 12 Cb 0.32 -1.27 0.06 0.00 0.00 0.00 0.00 30.24 29.35 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 -0.14 -5.72 -3.94 -1.09 0.00 -0.98 -5.01 117.12 100.24 1jvo n MET 13 Ca 0.00 0.72 -0.10 0.00 -0.00 0.00 0.00 57.70 58.32 1jvo n MET 13 Cb 0.14 -5.49 -0.10 0.00 0.00 0.00 0.00 33.22 27.77 1jvo n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1jvo s GLN 14 N -5.77 0.52 0.18 2.12 -0.21 -1.26 -4.41 119.66 110.83 1jvo s GLN 14 Ca 0.05 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.71 1jvo s GLN 14 Cb -0.02 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1jvo s GLN 14 CO 0.78 -0.12 0.41 -0.06 -2.12 0.00 0.00 175.29 174.17 1jvo s PHE 15 N -2.24 3.47 -0.42 0.91 0.08 -1.26 -2.14 117.98 116.39 1jvo s PHE 15 Ca -0.08 0.52 0.03 0.00 0.12 0.00 0.00 56.93 57.52 1jvo s PHE 15 Cb -0.03 -1.98 0.29 0.00 -0.57 0.00 0.00 43.02 40.72 1jvo s PHE 15 CO -0.03 0.38 1.19 0.27 -0.10 0.00 0.00 175.22 176.93 1jvo n ASN 16 N -0.25 3.09 -3.65 1.36 6.94 -0.71 -4.82 115.26 117.22 1jvo n ASN 16 Ca -0.03 -2.50 -0.01 0.00 -0.02 0.00 0.00 54.58 52.02 1jvo n ASN 16 Cb 0.53 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.30 1jvo n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jvo s THR 17 N -1.46 0.00 -0.03 5.53 -1.32 -1.26 -4.93 115.64 112.17 1jvo s THR 17 Ca 0.22 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.73 1jvo s THR 17 Cb 0.17 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.22 1jvo s THR 17 CO 0.05 0.00 0.89 -0.46 -2.21 0.00 0.00 174.62 172.89 1jvo n ASN 18 N 0.41 0.76 -3.67 8.08 0.23 -1.26 -4.87 115.26 114.94 1jvo n ASN 18 Ca 0.02 -1.94 -0.12 0.00 -0.53 0.00 0.00 54.58 52.00 1jvo n ASN 18 Cb 0.58 -0.16 -0.12 0.00 -2.08 0.00 0.00 39.78 38.00 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 -0.72 -0.71 -0.03 -2.53 0.00 -1.26 -1.21 121.76 115.31 1jvo s ALA 19 Ca 0.06 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.19 1jvo s ALA 19 Cb 0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1jvo s ALA 19 CO 0.01 -0.60 -0.25 0.42 0.00 0.00 0.00 175.76 175.34 1jvo s ILE 20 N 2.28 1.96 -0.22 0.00 1.01 -0.26 -4.98 121.20 121.00 1jvo s ILE 20 Ca -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1jvo s ILE 20 Cb -0.12 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.77 1jvo s ILE 20 CO -0.10 0.55 -0.12 -0.89 0.00 0.00 0.00 174.94 174.38 1jvo s THR 21 N -0.48 1.91 -0.34 2.92 2.01 -1.26 -1.19 115.64 119.22 1jvo s THR 21 Ca 0.07 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 1jvo s THR 21 Cb -0.10 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1jvo s THR 21 CO 0.00 0.16 0.49 -0.69 -0.69 0.00 0.00 174.62 173.89 1jvo s VAL 22 N 1.27 5.04 0.21 3.82 1.01 -0.24 -4.97 120.40 126.54 1jvo s VAL 22 Ca -0.03 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1jvo s VAL 22 Cb -0.17 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 1jvo s VAL 22 CO -0.08 -0.16 1.48 -0.62 0.00 0.00 0.00 175.10 175.73 1jvo s ASP 23 N 1.73 6.64 0.56 3.32 -1.08 -1.26 -2.41 116.67 124.17 1jvo s ASP 23 Ca 0.18 2.63 0.31 0.00 -0.52 0.00 0.00 52.55 55.15 1jvo s ASP 23 Cb -0.16 -2.61 1.68 0.00 -1.46 0.00 0.00 42.92 40.38 1jvo s ASP 23 CO 0.13 -0.75 2.16 0.11 0.52 0.00 0.00 175.17 177.34 1jvo h LYS 24 N 5.76 0.00 0.00 4.34 1.57 -1.45 -2.12 116.57 124.66 1jvo h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jvo h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1jvo h LYS 24 CO 0.83 0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 178.64 1jvo n SER 25 N -3.59 0.12 -4.73 0.86 3.41 -1.26 -4.73 113.62 103.70 1jvo n SER 25 Ca -0.02 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 1jvo n SER 25 Cb 0.17 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 1jvo n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvo h LYS 27 N 5.67 0.17 -3.44 0.00 6.56 -1.88 -3.42 116.57 120.22 1jvo h LYS 27 Ca -0.43 -0.30 -0.13 0.00 -1.06 0.00 0.00 60.65 58.73 1jvo h LYS 27 Cb 1.21 0.11 -0.20 0.00 -0.57 0.00 0.00 32.23 32.78 1jvo h LYS 27 CO 0.72 1.07 -0.43 1.14 -2.06 0.00 0.00 179.45 179.89 1jvo s GLN 28 N -2.65 0.57 0.04 3.15 -2.07 -1.26 -1.47 119.66 115.96 1jvo s GLN 28 Ca -0.04 -0.42 0.09 0.00 -1.82 0.00 0.00 55.36 53.16 1jvo s GLN 28 Cb 0.08 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1jvo s GLN 28 CO 0.85 -0.15 -0.25 0.12 -1.32 0.00 0.00 175.29 174.54 1jvo s PHE 29 N -1.66 2.35 -0.04 9.60 5.36 0.13 -4.84 117.98 128.87 1jvo s PHE 29 Ca -0.12 -0.40 0.06 0.00 -0.96 0.00 0.00 56.93 55.51 1jvo s PHE 29 Cb -0.06 -1.42 -0.01 0.00 -0.34 0.00 0.00 43.02 41.20 1jvo s PHE 29 CO 0.01 0.12 -0.22 0.99 -1.46 0.00 0.00 175.22 174.66 1jvo s THR 30 N -0.79 1.81 -0.14 0.12 2.01 -0.68 -1.17 115.64 116.79 1jvo s THR 30 Ca 0.12 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1jvo s THR 30 Cb -0.10 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1jvo s THR 30 CO 0.02 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 1jvo s VAL 31 N -0.22 1.97 -0.29 3.82 1.01 -0.62 -0.99 120.40 125.08 1jvo s VAL 31 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1jvo s VAL 31 Cb -0.12 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1jvo s VAL 31 CO 0.02 0.53 0.05 0.20 0.00 0.00 0.00 175.10 175.90 1jvo s ASN 32 N 0.86 4.96 -0.15 3.32 0.01 -0.44 -1.92 114.94 121.59 1jvo s ASN 32 Ca -0.06 -0.76 -0.07 0.00 -0.71 0.00 0.00 52.86 51.26 1jvo s ASN 32 Cb -0.15 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 1jvo s ASN 32 CO -0.02 -0.18 0.10 -0.22 -1.51 0.00 0.00 177.10 175.27 1jvo s LEU 33 N 1.46 4.13 0.04 0.60 2.96 -0.02 -0.52 118.68 127.32 1jvo s LEU 33 Ca 0.02 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 1jvo s LEU 33 Cb -0.17 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1jvo s LEU 33 CO 0.01 0.30 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.36 1jvo s SER 34 N -0.40 0.53 -0.50 3.68 1.04 -0.72 -1.57 113.70 115.76 1jvo s SER 34 Ca 0.11 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1jvo s SER 34 Cb -0.12 0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.25 1jvo s SER 34 CO 0.02 -0.38 0.27 -2.28 0.98 0.00 0.00 173.24 171.85 1jvo s HIS 35 N -2.32 2.65 -2.00 5.02 2.46 -1.18 -1.86 115.29 118.05 1jvo s HIS 35 Ca -0.06 -2.85 0.01 0.00 0.47 0.00 0.00 55.06 52.64 1jvo s HIS 35 Cb -0.04 -2.36 0.07 0.00 -0.13 0.00 0.00 32.58 30.13 1jvo s HIS 35 CO -0.03 -0.74 0.69 -0.35 -2.47 0.00 0.00 174.74 171.83 1jvo n PRO 36 N 3.19 0.63 0.00 2.88 -0.04 -1.26 -0.16 135.00 140.24 1jvo n PRO 36 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1jvo n PRO 36 Cb 0.34 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.14 -1.24 0.00 0.55 0.00 -1.26 -4.87 105.19 98.51 1jvo n GLY 37 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.59 4.87 -4.77 1.61 5.03 -1.26 -3.99 115.26 114.16 1jvo n ASN 38 Ca 0.00 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.08 1jvo n ASN 38 Cb 0.00 0.60 -0.02 0.00 -1.02 0.00 0.00 39.78 39.34 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 -3.69 4.08 0.67 3.41 1.43 -1.26 -4.74 118.68 118.57 1jvo s LEU 39 Ca 0.00 2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 1jvo s LEU 39 Cb 0.00 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 42.05 1jvo s LEU 39 CO 0.00 -0.79 1.07 -2.16 0.23 0.00 0.00 176.35 174.70 1jvo s PRO 40 N -2.56 2.96 0.48 1.29 0.04 -1.26 -1.96 135.00 133.99 1jvo s PRO 40 Ca 0.61 1.10 0.38 0.00 0.04 0.00 0.00 61.00 63.12 1jvo s PRO 40 Cb -0.28 -1.99 1.57 0.00 0.04 0.00 0.00 34.50 33.84 1jvo s PRO 40 CO 0.35 -1.09 1.58 -0.22 0.04 0.00 0.00 177.00 177.67 1jvo h LYS 41 N -0.33 0.01 -0.10 4.56 3.64 -1.86 -1.65 116.57 120.84 1jvo h LYS 41 Ca -0.45 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1jvo h LYS 41 Cb 1.22 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1jvo h LYS 41 CO 0.56 0.01 -0.27 0.00 -2.27 0.00 0.00 179.45 177.48 1jvo h VAL 43 N -0.26 0.88 -0.72 0.00 2.07 -1.70 -3.42 116.25 113.10 1jvo h VAL 43 Ca 0.02 -2.37 -0.44 0.00 0.82 0.00 0.00 66.70 64.73 1jvo h VAL 43 Cb 0.32 2.60 -0.42 0.00 -1.52 0.00 0.00 31.29 32.27 1jvo h VAL 43 CO -0.23 0.74 -0.93 0.80 0.02 0.00 0.00 177.57 177.97 1jvo n MET 44 N -3.80 2.84 -2.45 1.57 0.00 -0.77 -5.06 117.12 109.46 1jvo n MET 44 Ca -0.28 -3.93 -0.39 0.00 -0.00 0.00 0.00 57.70 53.10 1jvo n MET 44 Cb 0.95 -2.00 -0.04 0.00 0.00 0.00 0.00 33.22 32.13 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 -3.64 2.95 0.28 -5.12 0.00 -0.60 -4.78 107.32 96.42 1jvo s GLY 45 Ca 0.41 0.88 0.07 0.00 0.00 0.00 0.00 44.72 46.08 1jvo s GLY 45 CO -0.01 1.43 -0.06 0.30 0.00 0.00 0.00 173.10 174.76 1jvo s HIS 46 N -1.32 1.96 0.26 1.90 3.76 -0.35 -4.70 115.29 116.80 1jvo s HIS 46 Ca 0.50 -0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 54.56 1jvo s HIS 46 Cb -0.30 -1.12 0.00 0.00 1.11 0.00 0.00 32.58 32.28 1jvo s HIS 46 CO 0.38 0.28 0.55 0.54 -0.85 0.00 0.00 174.74 175.64 1jvo s ASN 47 N -3.45 -0.13 -0.21 1.40 2.20 -1.26 0.53 114.94 114.03 1jvo s ASN 47 Ca 0.30 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.37 1jvo s ASN 47 Cb 0.04 0.63 0.05 0.00 -2.00 0.00 0.00 41.25 39.97 1jvo s ASN 47 CO 0.12 -1.21 -0.07 0.86 -2.94 0.00 0.00 177.10 173.86 1jvo s TRP 48 N -3.96 2.24 -0.09 1.54 -0.00 -1.26 -3.99 118.94 113.42 1jvo s TRP 48 Ca 0.19 -1.55 0.05 0.00 -0.00 0.00 0.00 56.10 54.79 1jvo s TRP 48 Cb -0.02 -1.54 -0.00 0.00 -0.00 0.00 0.00 33.47 31.91 1jvo s TRP 48 CO 0.09 -0.73 -0.24 0.08 -0.00 0.00 0.00 176.95 176.14 1jvo s VAL 49 N 1.45 2.06 -0.08 5.86 1.01 0.03 -1.35 120.40 129.39 1jvo s VAL 49 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1jvo s VAL 49 Cb -0.17 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1jvo s VAL 49 CO -0.07 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.26 1jvo s LEU 50 N 0.18 2.87 0.22 3.92 2.96 -0.22 -1.03 118.68 127.56 1jvo s LEU 50 Ca -0.14 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 1jvo s LEU 50 Cb -0.17 -1.61 0.07 0.00 0.50 0.00 0.00 46.19 44.99 1jvo s LEU 50 CO 0.07 0.31 1.00 -0.94 -1.32 0.00 0.00 176.35 175.47 1jvo s SER 51 N -0.48 0.00 0.48 3.68 1.04 -0.69 -1.03 113.70 116.69 1jvo s SER 51 Ca 0.06 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.55 1jvo s SER 51 Cb -0.12 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 1jvo s SER 51 CO 0.02 -1.10 1.02 0.42 0.98 0.00 0.00 173.24 174.58 1jvo s THR 52 N -2.21 3.90 0.28 2.02 -4.23 -1.26 -0.71 115.64 113.43 1jvo s THR 52 Ca 0.21 1.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.91 1jvo s THR 52 Cb -0.03 -3.47 0.27 0.00 1.34 0.00 0.00 72.50 70.61 1jvo s THR 52 CO 0.06 -0.27 1.78 0.00 -0.54 0.00 0.00 174.62 175.65 1jvo h ALA 53 N 1.58 1.49 -0.03 3.99 0.00 -1.69 0.13 119.26 124.71 1jvo h ALA 53 Ca -0.49 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1jvo h ALA 53 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jvo h ALA 53 CO 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 1jvo h ALA 54 N 1.60 1.86 0.00 0.00 0.00 -1.90 -2.93 119.26 117.89 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 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jvo h ALA 54 CO -0.36 0.11 -0.75 -0.25 0.00 0.00 0.00 179.25 177.99 1jvo n ASP 55 N -4.45 0.67 -0.16 0.00 8.00 0.39 -4.60 116.55 116.39 1jvo n ASP 55 Ca -0.02 -0.45 -0.09 0.00 0.71 0.00 0.00 54.79 54.94 1jvo n ASP 55 Cb 0.15 0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.00 -0.19 -0.65 -1.24 1.85 -1.22 -0.58 114.93 112.90 1jvo h MET 56 Ca 0.00 0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.24 1jvo h MET 56 Cb 0.55 0.04 -0.12 0.00 0.43 0.00 0.00 31.60 32.51 1jvo h MET 56 CO 0.00 -0.13 -0.08 0.37 -0.40 0.00 0.00 176.91 176.68 1jvo h GLN 57 N -0.20 0.05 -0.14 0.39 5.75 -1.81 0.21 115.11 119.37 1jvo h GLN 57 Ca 0.07 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1jvo h GLN 57 Cb 0.38 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1jvo h GLN 57 CO -0.49 0.04 -0.12 0.78 -2.65 0.00 0.00 178.83 176.39 1jvo h GLY 58 N 0.06 -0.02 0.96 2.39 0.00 -1.54 0.50 103.07 105.41 1jvo h GLY 58 Ca 0.33 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1jvo h GLY 58 CO -0.62 -0.13 0.08 -2.08 0.00 0.00 0.00 176.54 173.79 1jvo h VAL 59 N -0.14 1.08 -0.32 4.60 2.07 0.28 -1.86 116.25 121.96 1jvo h VAL 59 Ca 0.09 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1jvo h VAL 59 Cb 0.27 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1jvo h VAL 59 CO -0.22 0.07 0.11 0.58 0.02 0.00 0.00 177.57 178.13 1jvo h VAL 60 N 0.14 0.92 -0.32 2.57 2.07 -0.29 0.78 116.25 122.12 1jvo h VAL 60 Ca 0.05 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jvo h VAL 60 Cb 0.04 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1jvo h VAL 60 CO -0.01 0.05 0.16 0.74 0.02 0.00 0.00 177.57 178.53 1jvo h THR 61 N 0.26 1.15 -0.08 2.57 2.02 -0.82 -2.32 112.91 115.69 1jvo h THR 61 Ca 0.14 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 1jvo h THR 61 Cb 0.11 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1jvo h THR 61 CO -0.14 0.15 -0.57 0.44 0.37 0.00 0.00 175.52 175.78 1jvo h ASP 62 N 0.38 0.27 -0.64 4.18 3.32 -1.15 -3.05 116.42 119.74 1jvo h ASP 62 Ca 0.11 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1jvo h ASP 62 Cb 0.10 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1jvo h ASP 62 CO -0.02 0.78 0.27 1.23 -1.72 0.00 0.00 179.24 179.78 1jvo h GLY 63 N 1.42 1.01 0.57 2.75 0.00 -0.68 -1.45 103.07 106.69 1jvo h GLY 63 Ca -0.00 -0.53 0.11 0.00 0.00 0.00 0.00 47.33 46.90 1jvo h GLY 63 CO 0.09 0.50 0.63 1.98 0.00 0.00 0.00 176.54 179.74 1jvo h MET 64 N 0.89 0.98 -0.00 4.80 1.85 -1.33 -1.23 114.93 120.88 1jvo h MET 64 Ca 0.21 -0.06 -0.14 0.00 -0.61 0.00 0.00 59.70 59.11 1jvo h MET 64 Cb 0.18 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1jvo h MET 64 CO -0.02 0.65 -0.64 0.00 -0.40 0.00 0.00 176.91 176.50 1jvo h ALA 65 N 1.53 0.93 0.00 0.39 0.00 -1.26 -3.14 119.26 117.71 1jvo h ALA 65 Ca 0.47 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jvo h ALA 65 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jvo h ALA 65 CO -0.23 0.80 -0.10 0.77 0.00 0.00 0.00 179.25 180.49 1jvo h SER 66 N 0.01 0.00 -4.12 0.00 0.02 -0.21 -3.49 113.55 105.77 1jvo h SER 66 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jvo h SER 66 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1jvo h SER 66 CO 0.08 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1jvo n GLY 67 N -0.59 -2.07 0.46 -3.77 0.00 -1.18 -4.09 105.19 93.95 1jvo n GLY 67 Ca -0.02 -1.47 0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 0.16 -1.33 0.99 5.85 -1.90 0.94 115.31 120.03 1jvo h LEU 68 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1jvo h LEU 68 Cb 0.00 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1jvo h LEU 68 CO 0.00 0.04 0.11 0.44 -0.34 0.00 0.00 178.44 178.69 1jvo h ASP 69 N 0.15 0.51 -0.45 1.25 3.32 -2.00 -2.25 116.42 116.96 1jvo h ASP 69 Ca 0.50 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 1jvo h ASP 69 Cb 1.71 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 1jvo h ASP 69 CO -0.10 0.51 0.06 0.29 -1.72 0.00 0.00 179.24 178.28 1jvo n LYS 70 N -4.34 3.55 -2.35 3.56 4.76 0.29 -4.89 118.16 118.73 1jvo n LYS 70 Ca 0.02 -2.24 -0.18 0.00 -2.87 0.00 0.00 58.31 53.04 1jvo n LYS 70 Cb 0.18 -2.02 -0.01 0.00 -1.84 0.00 0.00 35.03 31.33 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 0.30 -5.26 -3.98 4.39 9.92 -0.85 -1.52 116.55 119.55 1jvo n ASP 71 Ca 0.23 0.08 -0.30 0.00 -0.53 0.00 0.00 54.79 54.26 1jvo n ASP 71 Cb 0.98 -4.42 0.00 0.00 -0.64 0.00 0.00 41.12 37.05 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 -3.70 -2.00 -3.77 1.24 4.01 -0.95 -4.77 117.16 107.23 1jvo n TYR 72 Ca -0.21 0.85 -0.16 0.00 -0.16 0.00 0.00 57.90 58.21 1jvo n TYR 72 Cb 0.66 -3.70 -0.16 0.00 -0.31 0.00 0.00 39.34 35.82 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 -7.16 0.89 0.21 7.72 1.43 -0.58 -4.29 118.68 116.91 1jvo s LEU 73 Ca 0.51 0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 1jvo s LEU 73 Cb -0.26 -0.10 -0.11 0.00 0.03 0.00 0.00 46.19 45.74 1jvo s LEU 73 CO 0.86 -0.15 1.62 -0.75 0.23 0.00 0.00 176.35 178.16 1jvo s LYS 74 N 1.30 4.17 0.24 1.70 2.20 -1.26 -4.85 119.74 123.23 1jvo s LYS 74 Ca -0.06 2.49 -0.31 0.00 -0.36 0.00 0.00 55.97 57.72 1jvo s LYS 74 Cb -0.13 -3.09 -0.12 0.00 -1.51 0.00 0.00 37.83 32.97 1jvo s LYS 74 CO -0.03 -0.65 1.62 -2.30 -0.36 0.00 0.00 175.35 173.64 1jvo n PRO 75 N 3.46 2.58 -3.82 4.03 -0.02 -1.26 -2.52 135.00 137.46 1jvo n PRO 75 Ca 0.13 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.24 1jvo n PRO 75 Cb 0.37 -2.72 0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 3.04 -4.66 -4.61 2.55 8.00 -1.26 -4.88 116.55 114.74 1jvo n ASP 76 Ca 0.13 -0.72 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 1jvo n ASP 76 Cb 0.34 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.68 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 -3.18 6.10 0.62 -2.24 -1.08 -1.05 -4.87 116.67 110.97 1jvo s ASP 77 Ca 0.62 1.24 0.33 0.00 -0.52 0.00 0.00 52.55 54.22 1jvo s ASP 77 Cb -0.31 -2.53 1.90 0.00 -1.46 0.00 0.00 42.92 40.52 1jvo s ASP 77 CO 0.77 -1.55 2.20 0.77 0.52 0.00 0.00 175.17 177.88 1jvo h SER 78 N 11.88 0.00 1.03 -0.34 4.64 -1.92 -1.73 113.55 127.10 1jvo h SER 78 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1jvo h SER 78 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1jvo h SER 78 CO 1.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.54 1jvo n ARG 79 N -3.57 0.23 -2.87 4.77 1.74 -1.26 -4.64 116.66 111.06 1jvo n ARG 79 Ca -0.01 0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.99 1jvo n ARG 79 Cb 0.19 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 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 -3.25 4.60 0.24 1.55 1.01 -0.65 -4.52 120.40 119.38 1jvo s VAL 80 Ca 0.06 0.86 0.10 0.00 0.00 0.00 0.00 61.98 63.01 1jvo s VAL 80 Cb 0.10 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1jvo s VAL 80 CO 0.48 -0.62 1.57 0.40 0.00 0.00 0.00 175.10 176.92 1jvo h ILE 81 N 5.90 1.45 -1.47 2.22 2.04 -1.34 -3.47 117.51 122.84 1jvo h ILE 81 Ca -0.24 -2.27 0.23 0.00 1.00 0.00 0.00 64.86 63.57 1jvo h ILE 81 Cb 1.08 2.23 -0.20 0.00 -0.74 0.00 0.00 36.82 39.19 1jvo h ILE 81 CO 0.97 0.65 0.79 0.00 0.00 0.00 0.00 178.15 180.55 1jvo s ALA 82 N -3.48 -2.05 -0.03 1.87 0.00 -1.23 -5.00 121.76 111.84 1jvo s ALA 82 Ca -0.01 1.61 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 1jvo s ALA 82 Cb 0.12 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.98 1jvo s ALA 82 CO 0.77 -0.52 0.85 -3.38 0.00 0.00 0.00 175.76 173.48 1jvo s HIS 83 N -2.11 -0.42 0.44 0.00 -3.43 -1.26 -1.06 115.29 107.45 1jvo s HIS 83 Ca 0.08 0.48 0.02 0.00 -0.80 0.00 0.00 55.06 54.84 1jvo s HIS 83 Cb -0.01 0.50 0.08 0.00 -1.43 0.00 0.00 32.58 31.72 1jvo s HIS 83 CO -0.05 -0.54 0.60 0.25 -2.00 0.00 0.00 174.74 173.01 1jvo n THR 84 N 0.17 0.00 -2.63 -5.38 -2.24 -0.45 -4.84 114.28 98.91 1jvo n THR 84 Ca -0.12 -1.11 -0.24 0.00 -2.27 0.00 0.00 64.05 60.32 1jvo n THR 84 Cb 0.60 -0.92 0.12 0.00 -2.10 0.00 0.00 70.33 68.03 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 -3.99 1.58 -0.28 -0.78 1.02 -1.26 -4.62 119.74 111.41 1jvo s LYS 85 Ca 0.42 -1.24 -0.24 0.00 0.02 0.00 0.00 55.97 54.93 1jvo s LYS 85 Cb -0.03 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1jvo s LYS 85 CO 0.27 -1.52 0.81 -1.17 -0.92 0.00 0.00 175.35 172.82 1jvo s LEU 86 N -5.16 4.07 0.15 3.17 2.96 -1.26 -4.38 118.68 118.23 1jvo s LEU 86 Ca 0.67 0.84 0.08 0.00 -0.22 0.00 0.00 54.13 55.51 1jvo s LEU 86 Cb -0.04 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1jvo s LEU 86 CO 0.45 -0.57 -0.07 0.27 -1.32 0.00 0.00 176.35 175.10 1jvo s ILE 87 N 2.92 3.39 0.00 6.68 -4.36 0.19 -4.87 121.20 125.15 1jvo s ILE 87 Ca 0.34 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1jvo s ILE 87 Cb -0.15 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1jvo s ILE 87 CO 0.10 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1jvo n GLY 88 N 0.26 3.12 3.64 6.27 0.00 -1.26 -1.21 105.19 116.01 1jvo n GLY 88 Ca -0.12 -2.13 -0.46 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.71 2.36 0.00 1.61 2.88 -0.83 -2.07 113.62 115.85 1jvo n SER 89 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1jvo n SER 89 Cb 0.00 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 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 2.14 2.06 2.73 0.46 0.00 0.77 -4.97 105.19 108.39 1jvo n GLY 90 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1jvo n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jvo n GLU 91 N -1.84 -1.43 -3.50 1.61 1.02 -0.88 -4.86 120.64 110.76 1jvo n GLU 91 Ca 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 55.58 1jvo n GLU 91 Cb 0.00 -1.06 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1jvo n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1jvo s LYS 92 N -5.03 0.98 0.02 3.49 2.47 -1.26 -3.10 119.74 117.31 1jvo s LYS 92 Ca 0.54 -0.10 -0.28 0.00 -1.56 0.00 0.00 55.97 54.58 1jvo s LYS 92 Cb -0.03 0.45 0.09 0.00 -1.46 0.00 0.00 37.83 36.89 1jvo s LYS 92 CO 0.39 -0.37 0.81 0.34 0.16 0.00 0.00 175.35 176.68 1jvo s ASP 93 N -1.92 -0.43 0.09 1.43 2.15 -0.61 -5.03 116.67 112.35 1jvo s ASP 93 Ca -0.02 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 1jvo s ASP 93 Cb -0.01 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1jvo s ASP 93 CO -0.02 -0.68 -0.00 -0.44 -0.17 0.00 0.00 175.17 173.85 1jvo s SER 94 N -2.36 0.55 -0.17 -0.34 0.01 -1.26 -0.84 113.70 109.28 1jvo s SER 94 Ca 0.03 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.11 1jvo s SER 94 Cb -0.01 0.21 0.06 0.00 0.21 0.00 0.00 66.02 66.49 1jvo s SER 94 CO -0.08 -0.62 0.42 0.54 0.41 0.00 0.00 173.24 173.91 1jvo s VAL 95 N -3.91 -0.02 -0.06 3.43 0.11 -0.81 -4.89 120.40 114.25 1jvo s VAL 95 Ca 0.14 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.30 1jvo s VAL 95 Cb 0.07 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1jvo s VAL 95 CO -0.05 0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.71 1jvo s THR 96 N 1.25 2.91 0.12 5.04 2.01 -1.26 -1.58 115.64 124.13 1jvo s THR 96 Ca -0.08 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1jvo s THR 96 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1jvo s THR 96 CO -0.11 0.58 -0.05 0.72 -0.69 0.00 0.00 174.62 175.07 1jvo s PHE 97 N -0.48 1.01 -0.30 4.92 -0.71 -0.32 -4.96 117.98 117.14 1jvo s PHE 97 Ca 0.06 -0.94 -0.28 0.00 -1.04 0.00 0.00 56.93 54.74 1jvo s PHE 97 Cb -0.12 -0.57 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1jvo s PHE 97 CO 0.02 -0.16 1.00 -0.51 -1.34 0.00 0.00 175.22 174.23 1jvo s ASP 98 N -3.09 6.89 0.62 1.98 1.11 -1.26 -0.70 116.67 122.22 1jvo s ASP 98 Ca 0.16 1.01 0.27 0.00 0.18 0.00 0.00 52.55 54.17 1jvo s ASP 98 Cb 0.05 -2.51 1.39 0.00 1.07 0.00 0.00 42.92 42.93 1jvo s ASP 98 CO -0.02 -0.78 1.80 0.58 1.18 0.00 0.00 175.17 177.94 1jvo h VAL 99 N 5.65 0.20 -0.12 -1.27 2.07 -1.51 0.28 116.25 121.54 1jvo h VAL 99 Ca -0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1jvo h VAL 99 Cb 1.07 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1jvo h VAL 99 CO 0.99 0.00 0.03 0.77 0.02 0.00 0.00 177.57 179.37 1jvo h SER 100 N 0.00 0.15 0.21 0.57 4.64 -1.88 -1.14 113.55 116.10 1jvo h SER 100 Ca 0.15 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jvo h SER 100 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jvo h SER 100 CO -0.00 0.16 0.00 0.11 -0.87 0.00 0.00 176.83 176.23 1jvo h LYS 101 N 0.17 0.00 -5.74 4.77 1.57 -0.82 -3.40 116.57 113.12 1jvo h LYS 101 Ca 0.04 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.22 1jvo h LYS 101 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 1jvo h LYS 101 CO -0.00 0.00 -0.26 -0.51 -0.57 0.00 0.00 179.45 178.11 1jvo s LEU 102 N -5.31 4.35 -0.23 2.94 1.43 -0.43 -5.06 118.68 116.36 1jvo s LEU 102 Ca -0.02 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1jvo s LEU 102 Cb 0.09 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1jvo s LEU 102 CO 0.34 0.19 -0.06 -1.59 0.23 0.00 0.00 176.35 175.46 1jvo s LYS 103 N -0.19 3.16 0.37 1.70 -2.85 -1.26 -5.02 119.74 115.65 1jvo s LYS 103 Ca 0.21 -0.76 -0.24 0.00 -1.00 0.00 0.00 55.97 54.18 1jvo s LYS 103 Cb -0.15 -2.97 -0.14 0.00 -2.06 0.00 0.00 37.83 32.52 1jvo s LYS 103 CO 0.09 -0.27 0.55 -1.91 0.10 0.00 0.00 175.35 173.91 1jvo n GLU 104 N 4.74 0.53 0.00 1.78 2.13 -1.26 -2.79 120.64 125.78 1jvo n GLU 104 Ca -0.18 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1jvo n GLU 104 Cb 0.49 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.78 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 1.80 2.95 3.90 8.31 0.00 -1.26 -5.05 105.19 115.83 1jvo n GLY 105 Ca 0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 2.30 -0.18 1.61 2.12 -1.12 -5.06 118.70 118.37 1jvo s GLU 106 Ca 0.00 0.17 -0.12 0.00 0.36 0.00 0.00 54.97 55.38 1jvo s GLU 106 Cb 0.00 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 1jvo s GLU 106 CO 0.00 -1.35 0.21 -0.65 -0.54 0.00 0.00 175.26 172.93 1jvo s GLN 107 N -5.45 4.22 -0.04 4.30 -0.21 -1.26 -4.89 119.66 116.33 1jvo s GLN 107 Ca 0.60 -0.07 0.06 0.00 0.02 0.00 0.00 55.36 55.96 1jvo s GLN 107 Cb -0.11 -3.43 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 1jvo s GLN 107 CO 0.49 0.26 -0.22 0.71 -2.12 0.00 0.00 175.29 174.42 1jvo s TYR 108 N 0.44 2.06 -0.02 0.91 2.02 -1.23 -1.89 117.35 119.65 1jvo s TYR 108 Ca 0.12 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1jvo s TYR 108 Cb -0.12 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 1jvo s TYR 108 CO 0.01 -0.15 -0.22 -1.64 -1.57 0.00 0.00 175.55 171.98 1jvo s MET 109 N -0.20 1.83 0.13 -0.62 -1.94 0.12 -0.45 119.30 118.17 1jvo s MET 109 Ca -0.00 -0.79 0.09 0.00 -1.71 0.00 0.00 55.69 53.28 1jvo s MET 109 Cb -0.12 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.93 1jvo s MET 109 CO 0.02 0.47 -0.18 -0.59 -0.01 0.00 0.00 175.02 174.72 1jvo s PHE 110 N -0.48 2.51 0.06 -0.03 -0.12 -0.23 -1.71 117.98 117.98 1jvo s PHE 110 Ca 0.08 -0.28 -0.28 0.00 -0.05 0.00 0.00 56.93 56.40 1jvo s PHE 110 Cb -0.09 -1.32 0.09 0.00 -0.63 0.00 0.00 43.02 41.08 1jvo s PHE 110 CO -0.01 0.40 1.14 -0.59 -0.05 0.00 0.00 175.22 176.12 1jvo s PHE 111 N -1.23 -0.07 -0.15 3.49 -0.71 -0.20 -0.93 117.98 118.18 1jvo s PHE 111 Ca 0.18 -0.13 -0.08 0.00 -1.04 0.00 0.00 56.93 55.86 1jvo s PHE 111 Cb -0.10 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1jvo s PHE 111 CO 0.10 -0.53 0.14 0.00 -1.34 0.00 0.00 175.22 173.58 1jvo n THR 113 N 2.61 0.52 -1.98 0.00 -2.24 -1.26 -3.69 114.28 108.24 1jvo n THR 113 Ca -0.18 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1jvo n THR 113 Cb 0.54 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.48 3.00 -0.45 4.78 2.19 -1.26 -4.48 117.98 120.28 1jvo s PHE 114 Ca 0.37 0.94 -0.41 0.00 0.33 0.00 0.00 56.93 58.15 1jvo s PHE 114 Cb 0.20 -3.86 -0.18 0.00 -1.31 0.00 0.00 43.02 37.88 1jvo s PHE 114 CO 0.28 -2.87 1.69 -2.30 1.83 0.00 0.00 175.22 173.85 1jvo n PRO 115 N 2.61 0.00 0.00 10.12 -0.02 -1.26 -1.07 135.00 145.38 1jvo n PRO 115 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1jvo n PRO 115 Cb 0.40 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 5.19 2.75 0.31 -1.23 0.00 -1.26 -4.90 105.19 106.05 1jvo n GLY 116 Ca 0.39 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.38 -2.30 115.15 116.94 1jvo h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 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 0.00 -0.07 0.66 0.86 0.00 0.00 177.93 179.38 1jvo h SER 118 N 0.00 0.00 -1.00 2.45 4.64 -1.74 0.69 113.55 118.58 1jvo h SER 118 Ca -0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1jvo h SER 118 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1jvo h SER 118 CO 0.00 0.07 0.61 0.00 -0.87 0.00 0.00 176.83 176.64 1jvo h ALA 119 N 1.93 1.69 0.00 5.18 0.00 -1.78 -3.29 119.26 123.00 1jvo h ALA 119 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jvo h ALA 119 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jvo h ALA 119 CO 0.01 -0.06 -1.17 1.28 0.00 0.00 0.00 179.25 179.31 1jvo n LEU 120 N -4.74 1.68 -4.51 0.00 4.77 -0.67 -4.90 117.00 108.63 1jvo n LEU 120 Ca 0.23 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.77 1jvo n LEU 120 Cb 0.57 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1jvo n LEU 120 CO 0.22 0.34 1.34 -0.04 -1.33 0.00 0.00 177.39 177.92 1jvo s MET 121 N -2.06 3.72 -0.05 3.23 -1.94 0.23 -4.81 119.30 117.63 1jvo s MET 121 Ca -0.03 -1.69 -0.29 0.00 -1.71 0.00 0.00 55.69 51.97 1jvo s MET 121 Cb 0.01 -5.17 0.09 0.00 2.01 0.00 0.00 34.83 31.77 1jvo s MET 121 CO 0.08 -1.98 0.81 -1.59 -0.01 0.00 0.00 175.02 172.33 1jvo s LYS 122 N 3.51 0.90 0.31 2.03 0.00 -1.26 -2.74 119.74 122.49 1jvo s LYS 122 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 55.97 56.28 1jvo s LYS 122 Cb -0.02 0.42 0.04 0.00 0.00 0.00 0.00 37.83 38.27 1jvo s LYS 122 CO -0.06 -0.32 0.61 0.41 0.00 0.00 0.00 175.35 175.98 1jvo n GLY 123 N 0.43 1.32 3.52 0.59 0.00 -0.10 -4.82 105.19 106.13 1jvo n GLY 123 Ca -0.14 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 1jvo n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jvo s THR 124 N -2.34 3.25 -0.13 2.61 -4.23 -0.35 -1.06 115.64 113.39 1jvo s THR 124 Ca 0.14 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1jvo s THR 124 Cb -0.04 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.47 1jvo s THR 124 CO 0.11 0.51 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.30 1jvo s LEU 125 N -1.00 2.41 0.01 4.79 0.20 0.41 -1.10 118.68 124.39 1jvo s LEU 125 Ca 0.13 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.54 1jvo s LEU 125 Cb -0.11 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 1jvo s LEU 125 CO 0.03 0.13 -0.16 0.28 -0.29 0.00 0.00 176.35 176.34 1jvo s THR 126 N 0.55 1.27 -0.52 3.68 -1.32 -0.33 -3.51 115.64 115.46 1jvo s THR 126 Ca -0.11 -0.83 -0.17 0.00 -1.21 0.00 0.00 61.69 59.37 1jvo s THR 126 Cb -0.16 -1.08 0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1jvo s THR 126 CO 0.04 0.24 0.53 -0.22 -2.21 0.00 0.00 174.62 173.00 1jvo s LEU 127 N -0.68 5.52 0.00 9.08 1.98 -1.26 -1.08 118.68 132.25 1jvo s LEU 127 Ca 0.05 -1.33 0.03 0.00 -2.89 0.00 0.00 54.13 49.99 1jvo s LEU 127 Cb -0.07 -2.28 0.02 0.00 0.66 0.00 0.00 46.19 44.53 1jvo s LEU 127 CO 0.00 -0.83 0.59 2.29 -1.89 0.00 0.00 176.35 176.50