#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 3.56 -1.02 0.00 2.12 -1.26 -4.53 118.70 117.57 1jvo s GLU 2 Ca 0.00 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.80 1jvo s GLU 2 Cb 0.00 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1jvo s GLU 2 CO 0.00 -0.15 0.02 0.00 -0.54 0.00 0.00 175.26 174.60 1jvo s SER 4 N -2.48 -0.46 -0.02 0.00 1.04 -1.26 -1.74 113.70 108.78 1jvo s SER 4 Ca 0.01 0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1jvo s SER 4 Cb -0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1jvo s SER 4 CO 0.01 -0.45 0.11 0.54 0.98 0.00 0.00 173.24 174.43 1jvo s VAL 5 N -1.31 0.04 -0.25 5.02 0.11 -0.45 -3.39 120.40 120.18 1jvo s VAL 5 Ca -0.04 -0.33 -0.08 0.00 -2.93 0.00 0.00 61.98 58.60 1jvo s VAL 5 Cb -0.00 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1jvo s VAL 5 CO 0.03 -0.18 0.10 -1.81 -3.33 0.00 0.00 175.10 169.91 1jvo s ASP 6 N -0.58 5.35 0.06 3.54 1.11 -1.26 -1.47 116.67 123.42 1jvo s ASP 6 Ca -0.07 -0.15 0.09 0.00 0.18 0.00 0.00 52.55 52.60 1jvo s ASP 6 Cb -0.04 -1.97 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 1jvo s ASP 6 CO 0.00 -0.03 -0.24 -0.51 1.18 0.00 0.00 175.17 175.58 1jvo s ILE 7 N 1.60 1.92 0.09 0.77 2.07 0.26 -4.97 121.20 122.93 1jvo s ILE 7 Ca 0.06 -1.39 0.09 0.00 -1.41 0.00 0.00 60.65 58.00 1jvo s ILE 7 Cb -0.15 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.73 1jvo s ILE 7 CO 0.05 0.21 -0.22 -1.10 -1.91 0.00 0.00 174.94 171.97 1jvo s GLN 8 N -1.42 1.28 -0.17 3.50 -0.21 -1.26 -2.17 119.66 119.22 1jvo s GLN 8 Ca 0.10 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.33 1jvo s GLN 8 Cb -0.10 -1.55 0.04 0.00 1.00 0.00 0.00 33.01 32.40 1jvo s GLN 8 CO 0.03 0.37 -0.08 0.20 -2.12 0.00 0.00 175.29 173.69 1jvo s GLY 9 N -1.72 1.05 0.35 3.09 0.00 -0.88 -1.46 107.32 107.75 1jvo s GLY 9 Ca 0.08 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1jvo s GLY 9 CO 0.04 0.79 0.43 1.16 0.00 0.00 0.00 173.10 175.52 1jvo n ASN 10 N 4.81 1.49 0.17 1.64 0.23 -1.00 -3.88 115.26 118.73 1jvo n ASN 10 Ca -0.13 -2.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.05 1jvo n ASN 10 Cb 0.48 -0.20 0.52 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.15 0.00 -0.07 0.53 3.32 -1.91 -2.39 116.42 116.05 1jvo h ASP 11 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1jvo h ASP 11 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1jvo h ASP 11 CO 0.26 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 1jvo n GLN 12 N -2.51 1.16 -3.42 3.56 3.00 -1.26 -4.88 117.38 113.04 1jvo n GLN 12 Ca 0.02 -0.25 -0.19 0.00 -0.01 0.00 0.00 57.00 56.56 1jvo n GLN 12 Cb 0.28 -1.09 0.07 0.00 0.00 0.00 0.00 30.24 29.51 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 -0.32 -6.77 -4.08 -1.09 1.56 -0.90 -5.02 117.12 100.50 1jvo n MET 13 Ca 0.04 0.75 -0.11 0.00 -0.27 0.00 0.00 57.70 58.11 1jvo n MET 13 Cb 0.07 -5.54 -0.11 0.00 2.15 0.00 0.00 33.22 29.79 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 -5.86 0.58 0.23 2.12 -0.21 -1.26 -4.33 119.66 110.93 1jvo s GLN 14 Ca 0.35 -0.96 -0.05 0.00 0.02 0.00 0.00 55.36 54.72 1jvo s GLN 14 Cb -0.15 -0.11 -0.06 0.00 1.00 0.00 0.00 33.01 33.69 1jvo s GLN 14 CO 0.65 -0.01 0.48 -0.06 -2.12 0.00 0.00 175.29 174.23 1jvo s PHE 15 N -2.41 3.47 -0.19 0.91 0.08 -1.26 -2.36 117.98 116.22 1jvo s PHE 15 Ca -0.03 0.62 0.01 0.00 0.12 0.00 0.00 56.93 57.66 1jvo s PHE 15 Cb -0.03 -2.07 0.25 0.00 -0.57 0.00 0.00 43.02 40.60 1jvo s PHE 15 CO -0.03 0.29 1.45 0.27 -0.10 0.00 0.00 175.22 177.10 1jvo n ASN 16 N -0.48 3.73 0.00 1.36 6.94 -0.54 -4.82 115.26 121.45 1jvo n ASN 16 Ca -0.02 -2.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 1jvo n ASN 16 Cb 0.53 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 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 -0.04 0.00 -0.85 5.53 5.66 -1.26 -4.90 114.28 118.41 1jvo n THR 17 Ca 0.24 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.30 1jvo n THR 17 Cb 0.90 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.77 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 1.96 -3.66 1.09 0.23 -1.26 -4.86 115.26 108.75 1jvo n ASN 18 Ca 0.00 -2.61 -0.08 0.00 -0.53 0.00 0.00 54.58 51.36 1jvo n ASN 18 Cb 0.00 -0.27 -0.09 0.00 -2.08 0.00 0.00 39.78 37.33 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 -2.00 -1.21 -0.03 -2.53 0.00 -1.25 -1.21 121.76 113.52 1jvo s ALA 19 Ca 0.19 1.57 0.07 0.00 0.00 0.00 0.00 51.96 53.80 1jvo s ALA 19 Cb 0.17 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1jvo s ALA 19 CO 0.02 -0.71 -0.25 0.42 0.00 0.00 0.00 175.76 175.23 1jvo s ILE 20 N 2.49 2.00 -0.21 0.00 1.01 0.02 -4.98 121.20 121.53 1jvo s ILE 20 Ca -0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 1jvo s ILE 20 Cb -0.12 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1jvo s ILE 20 CO -0.13 0.56 -0.14 -0.89 0.00 0.00 0.00 174.94 174.34 1jvo s THR 21 N -0.45 2.43 -0.24 2.92 2.01 -1.26 -0.08 115.64 120.97 1jvo s THR 21 Ca 0.05 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1jvo s THR 21 Cb -0.11 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1jvo s THR 21 CO 0.01 0.41 0.26 -0.69 -0.69 0.00 0.00 174.62 173.92 1jvo s VAL 22 N 1.31 5.28 -0.03 3.82 1.01 0.10 -4.95 120.40 126.94 1jvo s VAL 22 Ca 0.03 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1jvo s VAL 22 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1jvo s VAL 22 CO -0.09 0.28 1.24 -0.62 0.00 0.00 0.00 175.10 175.90 1jvo s ASP 23 N 1.24 7.02 0.50 3.32 -1.08 -1.26 -1.90 116.67 124.51 1jvo s ASP 23 Ca 0.12 1.90 0.23 0.00 -0.52 0.00 0.00 52.55 54.27 1jvo s ASP 23 Cb -0.15 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 40.06 1jvo s ASP 23 CO 0.07 -0.59 1.98 0.11 0.52 0.00 0.00 175.17 177.25 1jvo h LYS 24 N 7.44 0.10 0.00 4.34 1.57 -1.36 -0.36 116.57 128.30 1jvo h LYS 24 Ca -0.36 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1jvo h LYS 24 Cb 1.17 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1jvo h LYS 24 CO 0.88 0.07 -0.02 0.66 -0.57 0.00 0.00 179.45 180.47 1jvo h SER 25 N 0.11 0.00 -3.56 0.86 4.64 -1.91 -3.43 113.55 110.26 1jvo h SER 25 Ca 0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.09 1jvo h SER 25 Cb 0.98 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1jvo h SER 25 CO -0.03 0.02 0.54 0.00 -0.87 0.00 0.00 176.83 176.48 1jvo h LYS 27 N 4.93 0.20 -4.18 0.00 6.56 -1.88 -3.42 116.57 118.77 1jvo h LYS 27 Ca -0.45 -0.23 -0.19 0.00 -1.06 0.00 0.00 60.65 58.72 1jvo h LYS 27 Cb 1.21 0.07 -0.20 0.00 -0.57 0.00 0.00 32.23 32.75 1jvo h LYS 27 CO 0.73 0.99 -0.70 1.14 -2.06 0.00 0.00 179.45 179.54 1jvo s GLN 28 N -2.94 0.43 0.15 3.15 -2.07 -1.26 -0.89 119.66 116.23 1jvo s GLN 28 Ca -0.16 -0.78 0.08 0.00 -1.82 0.00 0.00 55.36 52.69 1jvo s GLN 28 Cb 0.01 0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 1jvo s GLN 28 CO 0.76 -0.04 -0.10 0.12 -1.32 0.00 0.00 175.29 174.71 1jvo s PHE 29 N -1.95 2.66 -0.07 9.60 5.36 0.08 -4.84 117.98 128.82 1jvo s PHE 29 Ca -0.10 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1jvo s PHE 29 Cb -0.06 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1jvo s PHE 29 CO -0.02 0.47 -0.10 0.99 -1.46 0.00 0.00 175.22 175.10 1jvo s THR 30 N -1.49 0.99 -0.19 0.12 2.01 -0.71 -0.98 115.64 115.39 1jvo s THR 30 Ca 0.23 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1jvo s THR 30 Cb -0.10 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1jvo s THR 30 CO 0.14 0.33 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 1jvo s VAL 31 N 0.86 3.75 -0.33 3.82 1.01 -0.61 -1.34 120.40 127.57 1jvo s VAL 31 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1jvo s VAL 31 Cb -0.15 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1jvo s VAL 31 CO 0.01 0.45 0.09 0.20 0.00 0.00 0.00 175.10 175.85 1jvo s ASN 32 N 0.85 5.22 -0.13 3.32 0.01 -0.54 -1.52 114.94 122.14 1jvo s ASN 32 Ca -0.00 -1.08 -0.06 0.00 -0.71 0.00 0.00 52.86 51.01 1jvo s ASN 32 Cb -0.14 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1jvo s ASN 32 CO 0.02 -0.29 0.08 -0.22 -1.51 0.00 0.00 177.10 175.18 1jvo s LEU 33 N 1.40 4.02 0.02 0.60 2.96 0.96 -0.58 118.68 128.06 1jvo s LEU 33 Ca -0.01 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1jvo s LEU 33 Cb -0.19 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1jvo s LEU 33 CO 0.02 0.32 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.40 1jvo s SER 34 N -0.50 0.26 -0.43 3.68 1.04 -0.92 -1.14 113.70 115.68 1jvo s SER 34 Ca 0.11 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 1jvo s SER 34 Cb -0.12 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.19 1jvo s SER 34 CO 0.02 -0.21 0.20 -2.28 0.98 0.00 0.00 173.24 171.95 1jvo s HIS 35 N -1.10 3.57 -1.95 5.02 2.46 -1.15 -2.08 115.29 120.07 1jvo s HIS 35 Ca -0.11 -2.70 0.02 0.00 0.47 0.00 0.00 55.06 52.73 1jvo s HIS 35 Cb -0.08 -3.10 0.05 0.00 -0.13 0.00 0.00 32.58 29.33 1jvo s HIS 35 CO -0.01 -0.92 1.02 -0.35 -2.47 0.00 0.00 174.74 172.02 1jvo n PRO 36 N 4.18 1.15 -0.03 2.88 -0.04 -1.25 -1.34 135.00 140.54 1jvo n PRO 36 Ca 0.02 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1jvo n PRO 36 Cb 0.40 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.57 -0.63 0.00 0.55 0.00 -1.26 -4.89 105.19 99.53 1jvo n GLY 37 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.10 4.33 -4.77 1.61 5.03 -1.26 -4.12 115.26 114.99 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 0.33 -0.02 0.00 -1.02 0.00 0.00 39.78 39.07 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 -4.06 4.39 0.88 3.41 1.43 -1.26 -4.70 118.68 118.76 1jvo s LEU 39 Ca 0.00 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.75 1jvo s LEU 39 Cb 0.00 -3.65 0.12 0.00 0.03 0.00 0.00 46.19 42.69 1jvo s LEU 39 CO 0.00 -0.66 1.12 -2.16 0.23 0.00 0.00 176.35 174.88 1jvo s PRO 40 N -1.50 1.41 0.41 1.29 0.04 -1.26 -2.48 135.00 132.92 1jvo s PRO 40 Ca 0.53 0.42 0.25 0.00 0.04 0.00 0.00 61.00 62.23 1jvo s PRO 40 Cb -0.42 -1.86 1.30 0.00 0.04 0.00 0.00 34.50 33.56 1jvo s PRO 40 CO 0.53 -2.04 1.66 -0.22 0.04 0.00 0.00 177.00 176.97 1jvo h LYS 41 N -1.38 0.18 0.02 4.56 3.64 -1.86 -1.47 116.57 120.25 1jvo h LYS 41 Ca -0.50 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1jvo h LYS 41 Cb 1.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1jvo h LYS 41 CO 0.61 0.12 -0.15 0.00 -2.27 0.00 0.00 179.45 177.75 1jvo h VAL 43 N -0.27 0.68 -0.84 0.00 2.07 -1.84 -3.42 116.25 112.63 1jvo h VAL 43 Ca 0.04 -2.33 -0.43 0.00 0.82 0.00 0.00 66.70 64.80 1jvo h VAL 43 Cb 0.32 2.49 -0.41 0.00 -1.52 0.00 0.00 31.29 32.17 1jvo h VAL 43 CO -0.13 0.83 -0.96 0.80 0.02 0.00 0.00 177.57 178.13 1jvo n MET 44 N -3.61 2.58 -2.60 1.57 0.00 -0.59 -5.05 117.12 109.42 1jvo n MET 44 Ca -0.31 -3.87 -0.36 0.00 -0.00 0.00 0.00 57.70 53.16 1jvo n MET 44 Cb 1.01 -1.89 -0.05 0.00 0.00 0.00 0.00 33.22 32.29 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 -3.57 2.67 0.09 -5.12 0.00 -0.92 -4.79 107.32 95.68 1jvo s GLY 45 Ca 0.39 0.63 0.03 0.00 0.00 0.00 0.00 44.72 45.77 1jvo s GLY 45 CO -0.03 1.03 -0.08 0.30 0.00 0.00 0.00 173.10 174.32 1jvo s HIS 46 N -1.76 0.91 0.27 1.90 3.76 -0.79 -4.71 115.29 114.86 1jvo s HIS 46 Ca 0.59 -0.73 -0.05 0.00 -0.15 0.00 0.00 55.06 54.72 1jvo s HIS 46 Cb -0.19 -0.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 1jvo s HIS 46 CO 0.24 -0.08 0.37 0.54 -0.85 0.00 0.00 174.74 174.96 1jvo s ASN 47 N -2.52 0.43 -0.17 1.40 2.20 -1.26 0.14 114.94 115.16 1jvo s ASN 47 Ca 0.05 -1.29 0.00 0.00 -0.94 0.00 0.00 52.86 50.68 1jvo s ASN 47 Cb -0.01 0.55 0.04 0.00 -2.00 0.00 0.00 41.25 39.83 1jvo s ASN 47 CO -0.02 -1.11 -0.09 0.86 -2.94 0.00 0.00 177.10 173.80 1jvo s TRP 48 N -3.70 2.08 -0.07 1.54 -0.00 -1.26 -4.17 118.94 113.36 1jvo s TRP 48 Ca 0.31 -1.29 0.04 0.00 -0.00 0.00 0.00 56.10 55.15 1jvo s TRP 48 Cb 0.02 -1.50 0.00 0.00 -0.00 0.00 0.00 33.47 31.99 1jvo s TRP 48 CO 0.15 -0.67 -0.18 0.08 -0.00 0.00 0.00 176.95 176.32 1jvo s VAL 49 N 1.51 1.57 -0.10 5.86 1.01 -0.07 -1.54 120.40 128.65 1jvo s VAL 49 Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1jvo s VAL 49 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1jvo s VAL 49 CO -0.09 0.45 -0.19 -0.22 0.00 0.00 0.00 175.10 175.05 1jvo s LEU 50 N 0.30 2.40 0.33 3.92 2.96 -0.75 -0.81 118.68 127.02 1jvo s LEU 50 Ca -0.11 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 1jvo s LEU 50 Cb -0.15 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1jvo s LEU 50 CO 0.05 0.20 0.81 -0.94 -1.32 0.00 0.00 176.35 175.15 1jvo s SER 51 N 0.10 -0.06 0.45 3.68 1.04 -0.31 -1.01 113.70 117.58 1jvo s SER 51 Ca -0.09 -0.94 -0.23 0.00 0.48 0.00 0.00 55.95 55.17 1jvo s SER 51 Cb -0.15 0.77 -0.08 0.00 0.10 0.00 0.00 66.02 66.66 1jvo s SER 51 CO 0.06 -1.50 1.15 0.42 0.98 0.00 0.00 173.24 174.34 1jvo s THR 52 N -2.70 3.19 0.37 2.02 -4.23 -1.26 0.68 115.64 113.71 1jvo s THR 52 Ca 0.15 0.91 0.18 0.00 -1.18 0.00 0.00 61.69 61.75 1jvo s THR 52 Cb -0.05 -3.47 0.38 0.00 1.34 0.00 0.00 72.50 70.70 1jvo s THR 52 CO 0.09 -0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.87 1jvo h ALA 53 N 2.17 2.17 0.00 3.99 0.00 -1.68 0.34 119.26 126.25 1jvo h ALA 53 Ca -0.49 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1jvo h ALA 53 Cb 1.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1jvo h ALA 53 CO 0.61 -0.72 -0.36 0.00 0.00 0.00 0.00 179.25 178.78 1jvo h ALA 54 N 1.72 1.28 0.00 0.00 0.00 -1.90 -3.23 119.26 117.13 1jvo h ALA 54 Ca 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1jvo h ALA 54 Cb 1.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jvo h ALA 54 CO -0.46 0.46 -0.83 -0.25 0.00 0.00 0.00 179.25 178.17 1jvo n ASP 55 N -3.93 0.71 -0.08 0.00 8.00 0.12 -4.64 116.55 116.72 1jvo n ASP 55 Ca -0.02 -0.52 -0.07 0.00 0.71 0.00 0.00 54.79 54.90 1jvo n ASP 55 Cb 0.42 0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 42.15 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 -0.18 -0.80 -1.24 4.05 -1.50 -0.70 114.93 114.56 1jvo h MET 56 Ca 0.00 0.01 0.19 0.00 -0.28 0.00 0.00 59.70 59.63 1jvo h MET 56 Cb 0.56 0.04 -0.13 0.00 -0.80 0.00 0.00 31.60 31.27 1jvo h MET 56 CO 0.00 -0.12 0.14 0.37 0.23 0.00 0.00 176.91 177.53 1jvo h GLN 57 N -0.18 0.18 0.00 0.39 5.75 -1.82 0.39 115.11 119.82 1jvo h GLN 57 Ca 0.04 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1jvo h GLN 57 Cb 0.29 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1jvo h GLN 57 CO -0.31 0.12 -0.16 0.78 -2.65 0.00 0.00 178.83 176.61 1jvo h GLY 58 N 0.19 -0.22 0.94 2.39 0.00 -1.48 0.16 103.07 105.06 1jvo h GLY 58 Ca 0.47 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.99 1jvo h GLY 58 CO -0.63 -0.16 0.10 -2.08 0.00 0.00 0.00 176.54 173.77 1jvo h VAL 59 N -0.27 1.10 0.29 4.60 2.07 0.32 -0.29 116.25 124.07 1jvo h VAL 59 Ca 0.05 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jvo h VAL 59 Cb 0.34 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1jvo h VAL 59 CO -0.16 0.10 -0.27 0.58 0.02 0.00 0.00 177.57 177.84 1jvo h VAL 60 N 0.19 0.43 -0.44 2.57 2.07 -0.14 0.57 116.25 121.51 1jvo h VAL 60 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1jvo h VAL 60 Cb 0.07 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1jvo h VAL 60 CO -0.01 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.44 1jvo h THR 61 N -0.58 0.81 -0.03 2.57 2.02 -0.57 -1.66 112.91 115.47 1jvo h THR 61 Ca -0.01 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 1jvo h THR 61 Cb 0.53 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1jvo h THR 61 CO -0.04 0.05 -0.73 0.44 0.37 0.00 0.00 175.52 175.61 1jvo h ASP 62 N 0.26 0.24 -0.72 4.18 3.32 -0.87 -3.17 116.42 119.66 1jvo h ASP 62 Ca 0.21 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1jvo h ASP 62 Cb 0.24 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1jvo h ASP 62 CO -0.25 0.89 0.38 1.23 -1.72 0.00 0.00 179.24 179.77 1jvo h GLY 63 N 1.68 1.09 1.14 2.75 0.00 0.63 -1.90 103.07 108.45 1jvo h GLY 63 Ca -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1jvo h GLY 63 CO 0.11 0.48 0.46 1.98 0.00 0.00 0.00 176.54 179.58 1jvo h MET 64 N 1.00 1.13 0.00 4.80 1.85 -1.32 -2.46 114.93 119.93 1jvo h MET 64 Ca 0.25 -0.12 -0.11 0.00 -0.61 0.00 0.00 59.70 59.11 1jvo h MET 64 Cb 0.06 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 31.84 1jvo h MET 64 CO -0.04 0.82 -0.55 0.00 -0.40 0.00 0.00 176.91 176.74 1jvo h ALA 65 N 1.37 1.01 -0.11 0.39 0.00 -1.44 -3.06 119.26 117.41 1jvo h ALA 65 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1jvo h ALA 65 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jvo h ALA 65 CO -0.05 0.68 -0.05 0.77 0.00 0.00 0.00 179.25 180.60 1jvo h SER 66 N 0.00 0.15 -4.47 0.00 0.02 -0.86 -3.49 113.55 104.89 1jvo h SER 66 Ca -0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1jvo h SER 66 Cb 1.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1jvo h SER 66 CO 0.07 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1jvo n GLY 67 N -1.16 -0.33 0.37 -3.77 0.00 -1.16 -4.32 105.19 94.81 1jvo n GLY 67 Ca -0.01 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.49 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 0.67 0.00 0.99 5.85 -1.90 0.92 115.31 121.84 1jvo h LEU 68 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jvo h LEU 68 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jvo h LEU 68 CO 0.00 0.20 0.00 -0.90 -0.34 0.00 0.00 178.44 177.40 1jvo n ASP 69 N -4.74 0.00 -1.45 1.25 5.75 -1.26 -1.86 116.55 114.24 1jvo n ASP 69 Ca 0.24 0.41 0.08 0.00 -0.01 0.00 0.00 54.79 55.51 1jvo n ASP 69 Cb 0.67 -0.47 0.34 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.47 3.88 -2.24 0.11 4.76 0.22 -4.91 118.16 118.52 1jvo n LYS 70 Ca 0.07 -2.91 -0.15 0.00 -2.87 0.00 0.00 58.31 52.44 1jvo n LYS 70 Cb 0.27 -1.96 -0.02 0.00 -1.84 0.00 0.00 35.03 31.48 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 0.50 -4.53 -3.80 4.39 9.92 -0.78 -1.54 116.55 120.72 1jvo n ASP 71 Ca 0.24 0.17 -0.25 0.00 -0.53 0.00 0.00 54.79 54.42 1jvo n ASP 71 Cb 0.96 -3.87 0.03 0.00 -0.64 0.00 0.00 41.12 37.60 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 -3.31 -2.10 -3.74 1.24 4.01 -0.64 -4.77 117.16 107.86 1jvo n TYR 72 Ca -0.18 0.87 -0.13 0.00 -0.16 0.00 0.00 57.90 58.30 1jvo n TYR 72 Cb 0.61 -4.22 -0.14 0.00 -0.31 0.00 0.00 39.34 35.29 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 -6.96 0.62 0.14 7.72 1.43 -0.59 -4.28 118.68 116.76 1jvo s LEU 73 Ca 0.30 0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 53.48 1jvo s LEU 73 Cb -0.15 0.52 -0.10 0.00 0.03 0.00 0.00 46.19 46.48 1jvo s LEU 73 CO 0.82 -0.15 1.74 -0.75 0.23 0.00 0.00 176.35 178.24 1jvo s LYS 74 N 1.17 4.15 0.16 1.70 2.20 -1.26 -4.86 119.74 123.01 1jvo s LYS 74 Ca -0.09 2.53 -0.34 0.00 -0.36 0.00 0.00 55.97 57.71 1jvo s LYS 74 Cb -0.11 -3.41 -0.14 0.00 -1.51 0.00 0.00 37.83 32.66 1jvo s LYS 74 CO -0.07 -0.78 1.57 -2.30 -0.36 0.00 0.00 175.35 173.41 1jvo n PRO 75 N 5.05 2.14 -3.66 4.03 -0.02 -1.26 -2.22 135.00 139.06 1jvo n PRO 75 Ca 0.16 0.77 -0.23 0.00 -2.02 0.00 0.00 63.50 62.18 1jvo n PRO 75 Cb 0.38 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 3.34 -3.84 -4.66 2.55 8.00 -1.26 -4.91 116.55 115.77 1jvo n ASP 76 Ca 0.17 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 1jvo n ASP 76 Cb 0.29 -4.56 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 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 -3.79 6.84 0.57 -2.24 -1.08 -0.94 -4.88 116.67 111.15 1jvo s ASP 77 Ca 0.34 1.77 0.36 0.00 -0.52 0.00 0.00 52.55 54.50 1jvo s ASP 77 Cb -0.16 -2.54 1.58 0.00 -1.46 0.00 0.00 42.92 40.34 1jvo s ASP 77 CO 0.77 -0.84 2.06 0.77 0.52 0.00 0.00 175.17 178.45 1jvo h SER 78 N 8.68 0.00 1.22 -0.34 4.64 -1.92 -2.82 113.55 123.01 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 0.97 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 177.48 1jvo n ARG 79 N -3.11 0.18 -3.00 4.77 1.74 -1.26 -4.70 116.66 111.28 1jvo n ARG 79 Ca -0.00 0.19 -0.43 0.00 -0.77 0.00 0.00 57.85 56.84 1jvo n ARG 79 Cb 0.26 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.10 4.70 0.16 1.55 1.01 -1.07 -4.52 120.40 119.14 1jvo s VAL 80 Ca 0.10 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 1jvo s VAL 80 Cb 0.13 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1jvo s VAL 80 CO 0.54 -0.66 1.48 0.40 0.00 0.00 0.00 175.10 176.86 1jvo h ILE 81 N 5.93 1.28 -2.29 2.22 2.04 -1.35 -3.47 117.51 121.87 1jvo h ILE 81 Ca -0.25 -1.62 0.08 0.00 1.00 0.00 0.00 64.86 64.07 1jvo h ILE 81 Cb 1.09 1.49 -0.16 0.00 -0.74 0.00 0.00 36.82 38.50 1jvo h ILE 81 CO 0.94 0.53 0.44 0.00 0.00 0.00 0.00 178.15 180.06 1jvo s ALA 82 N -4.28 -1.80 -0.16 1.87 0.00 -1.24 -5.00 121.76 111.15 1jvo s ALA 82 Ca -0.10 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.58 1jvo s ALA 82 Cb 0.11 0.33 0.14 0.00 0.00 0.00 0.00 23.12 23.70 1jvo s ALA 82 CO 0.87 -0.64 1.08 -3.38 0.00 0.00 0.00 175.76 173.69 1jvo s HIS 83 N -2.87 -0.27 0.30 0.00 -3.43 -1.26 -1.81 115.29 105.96 1jvo s HIS 83 Ca 0.03 0.36 0.03 0.00 -0.80 0.00 0.00 55.06 54.68 1jvo s HIS 83 Cb -0.01 0.49 0.05 0.00 -1.43 0.00 0.00 32.58 31.68 1jvo s HIS 83 CO -0.07 -0.30 0.41 0.25 -2.00 0.00 0.00 174.74 173.03 1jvo n THR 84 N 0.36 0.00 -2.40 -5.38 -2.24 -0.59 -4.84 114.28 99.19 1jvo n THR 84 Ca -0.06 -0.86 -0.25 0.00 -2.27 0.00 0.00 64.05 60.61 1jvo n THR 84 Cb 0.59 -0.89 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.39 1.77 -0.33 -0.78 1.02 -1.26 -4.57 119.74 112.20 1jvo s LYS 85 Ca 0.30 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.30 1jvo s LYS 85 Cb -0.02 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1jvo s LYS 85 CO 0.19 -1.44 0.79 -1.17 -0.92 0.00 0.00 175.35 172.81 1jvo s LEU 86 N -5.23 4.09 0.15 3.17 2.96 -1.26 -4.37 118.68 118.20 1jvo s LEU 86 Ca 0.65 0.57 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1jvo s LEU 86 Cb -0.07 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1jvo s LEU 86 CO 0.45 -0.66 0.01 0.27 -1.32 0.00 0.00 176.35 175.10 1jvo s ILE 87 N 3.02 3.86 0.02 6.68 -4.36 0.12 -4.88 121.20 125.66 1jvo s ILE 87 Ca 0.32 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1jvo s ILE 87 Cb -0.14 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.67 1jvo s ILE 87 CO 0.14 -0.03 0.01 0.61 0.24 0.00 0.00 174.94 175.91 1jvo n GLY 88 N 0.09 3.32 3.63 6.27 0.00 -1.26 -1.89 105.19 115.35 1jvo n GLY 88 Ca -0.10 -2.18 -0.47 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 -1.76 2.15 0.00 1.61 2.88 -1.03 -1.41 113.62 116.05 1jvo n SER 89 Ca -0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1jvo n SER 89 Cb 0.02 -1.32 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 2.32 2.50 3.93 0.46 0.00 -0.45 -4.97 105.19 108.98 1jvo n GLY 90 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 0.51 0.06 1.61 2.02 -0.50 -4.88 118.70 117.52 1jvo s GLU 91 Ca 0.00 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 1jvo s GLU 91 Cb 0.00 -1.83 0.08 0.00 0.10 0.00 0.00 34.13 32.47 1jvo s GLU 91 CO 0.00 -2.50 0.68 0.21 0.02 0.00 0.00 175.26 173.68 1jvo s LYS 92 N -5.91 1.12 0.10 1.61 2.20 -1.26 -2.92 119.74 114.67 1jvo s LYS 92 Ca 0.75 -0.20 -0.25 0.00 -0.36 0.00 0.00 55.97 55.91 1jvo s LYS 92 Cb -0.03 0.52 0.08 0.00 -1.51 0.00 0.00 37.83 36.89 1jvo s LYS 92 CO 0.53 -0.45 0.71 0.34 -0.36 0.00 0.00 175.35 176.12 1jvo s ASP 93 N -2.17 -0.50 0.06 1.43 2.15 -0.30 -5.02 116.67 112.33 1jvo s ASP 93 Ca -0.02 0.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.97 1jvo s ASP 93 Cb -0.01 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 1jvo s ASP 93 CO -0.05 -0.84 -0.04 -0.44 -0.17 0.00 0.00 175.17 173.63 1jvo s SER 94 N -2.63 0.66 -0.12 -0.34 0.01 -1.26 -0.03 113.70 109.99 1jvo s SER 94 Ca 0.02 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.22 1jvo s SER 94 Cb -0.01 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.44 1jvo s SER 94 CO -0.11 -0.57 0.28 0.54 0.41 0.00 0.00 173.24 173.79 1jvo s VAL 95 N -3.84 -0.07 -0.07 3.43 0.11 -0.58 -4.89 120.40 114.48 1jvo s VAL 95 Ca 0.09 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1jvo s VAL 95 Cb 0.07 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1jvo s VAL 95 CO -0.08 0.06 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.74 1jvo s THR 96 N 1.40 3.31 0.14 5.04 2.01 -1.26 -1.57 115.64 124.70 1jvo s THR 96 Ca -0.08 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1jvo s THR 96 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1jvo s THR 96 CO -0.09 0.58 -0.00 0.72 -0.69 0.00 0.00 174.62 175.13 1jvo s PHE 97 N -0.52 1.04 -0.19 4.92 -0.71 -0.16 -4.96 117.98 117.41 1jvo s PHE 97 Ca 0.07 -1.05 -0.28 0.00 -1.04 0.00 0.00 56.93 54.64 1jvo s PHE 97 Cb -0.12 -0.60 -0.00 0.00 -1.21 0.00 0.00 43.02 41.09 1jvo s PHE 97 CO 0.02 -0.27 0.96 -0.51 -1.34 0.00 0.00 175.22 174.07 1jvo s ASP 98 N -3.11 7.07 0.50 1.98 1.11 -1.26 -0.74 116.67 122.22 1jvo s ASP 98 Ca 0.21 1.33 0.25 0.00 0.18 0.00 0.00 52.55 54.51 1jvo s ASP 98 Cb 0.06 -2.51 1.33 0.00 1.07 0.00 0.00 42.92 42.87 1jvo s ASP 98 CO 0.01 -0.53 1.93 0.58 1.18 0.00 0.00 175.17 178.34 1jvo h VAL 99 N 5.30 0.68 -0.76 -1.27 2.07 -1.27 0.28 116.25 121.27 1jvo h VAL 99 Ca -0.25 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.39 1jvo h VAL 99 Cb 1.10 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1jvo h VAL 99 CO 0.90 0.02 0.51 0.77 0.02 0.00 0.00 177.57 179.79 1jvo h SER 100 N 0.12 0.35 -0.12 0.57 4.64 -1.88 0.14 113.55 117.37 1jvo h SER 100 Ca 0.36 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.74 1jvo h SER 100 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1jvo h SER 100 CO -0.05 0.18 0.10 0.11 -0.87 0.00 0.00 176.83 176.30 1jvo h LYS 101 N 0.37 0.00 -6.58 4.77 1.57 -1.31 -3.40 116.57 111.99 1jvo h LYS 101 Ca 0.38 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.64 1jvo h LYS 101 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1jvo h LYS 101 CO -0.11 0.00 0.20 -0.51 -0.57 0.00 0.00 179.45 178.45 1jvo s LEU 102 N -8.53 4.54 -0.24 2.94 1.43 0.49 -5.04 118.68 114.28 1jvo s LEU 102 Ca -0.05 1.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1jvo s LEU 102 Cb 0.17 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1jvo s LEU 102 CO 0.64 0.16 -0.10 -1.59 0.23 0.00 0.00 176.35 175.69 1jvo s LYS 103 N -1.34 2.08 0.39 1.70 -2.85 -1.26 -5.01 119.74 113.45 1jvo s LYS 103 Ca 0.38 -1.16 -0.19 0.00 -1.00 0.00 0.00 55.97 54.01 1jvo s LYS 103 Cb -0.22 -2.73 -0.14 0.00 -2.06 0.00 0.00 37.83 32.68 1jvo s LYS 103 CO 0.26 -0.54 0.03 -1.91 0.10 0.00 0.00 175.35 173.28 1jvo n GLU 104 N 4.54 0.00 0.00 1.78 2.13 -1.26 -2.46 120.64 125.36 1jvo n GLU 104 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1jvo n GLU 104 Cb 0.44 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 31.23 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 2.18 2.59 3.88 8.31 0.00 -1.26 -5.03 105.19 115.86 1jvo n GLY 105 Ca 0.09 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 3.05 -0.15 1.61 2.12 -1.03 -5.05 118.70 119.25 1jvo s GLU 106 Ca 0.00 0.47 -0.14 0.00 0.36 0.00 0.00 54.97 55.67 1jvo s GLU 106 Cb 0.00 -2.07 -0.05 0.00 0.26 0.00 0.00 34.13 32.27 1jvo s GLU 106 CO 0.00 -0.87 0.30 -0.65 -0.54 0.00 0.00 175.26 173.49 1jvo s GLN 107 N -5.27 4.19 0.05 4.30 -0.21 -1.26 -4.88 119.66 116.58 1jvo s GLN 107 Ca 0.57 0.11 0.09 0.00 0.02 0.00 0.00 55.36 56.15 1jvo s GLN 107 Cb -0.11 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1jvo s GLN 107 CO 0.51 0.30 -0.26 0.71 -2.12 0.00 0.00 175.29 174.43 1jvo s TYR 108 N 0.28 2.31 -0.01 0.91 2.02 -1.25 -1.95 117.35 119.67 1jvo s TYR 108 Ca 0.17 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1jvo s TYR 108 Cb -0.13 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1jvo s TYR 108 CO 0.05 0.14 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.36 1jvo s MET 109 N -1.32 1.35 0.11 -0.62 -1.94 0.21 -1.91 119.30 115.18 1jvo s MET 109 Ca 0.12 -0.62 0.10 0.00 -1.71 0.00 0.00 55.69 53.58 1jvo s MET 109 Cb -0.10 -1.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 1jvo s MET 109 CO 0.02 0.36 -0.26 -0.59 -0.01 0.00 0.00 175.02 174.54 1jvo s PHE 110 N -0.43 2.22 0.12 -0.03 -0.12 0.39 -1.16 117.98 118.97 1jvo s PHE 110 Ca 0.06 -0.39 -0.25 0.00 -0.05 0.00 0.00 56.93 56.31 1jvo s PHE 110 Cb -0.07 -1.23 0.08 0.00 -0.63 0.00 0.00 43.02 41.18 1jvo s PHE 110 CO -0.00 0.28 1.10 -0.59 -0.05 0.00 0.00 175.22 175.96 1jvo s PHE 111 N -1.02 0.02 -0.17 3.49 -0.71 0.01 -1.05 117.98 118.55 1jvo s PHE 111 Ca 0.12 -0.33 -0.06 0.00 -1.04 0.00 0.00 56.93 55.63 1jvo s PHE 111 Cb -0.10 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1jvo s PHE 111 CO 0.05 -0.72 0.03 0.00 -1.34 0.00 0.00 175.22 173.24 1jvo n THR 113 N 3.55 1.38 -2.49 0.00 -2.24 -1.26 -3.20 114.28 110.01 1jvo n THR 113 Ca -0.17 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.39 1jvo n THR 113 Cb 0.52 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.86 3.59 -0.44 4.78 2.19 -1.26 -4.48 117.98 120.50 1jvo s PHE 114 Ca 0.34 1.64 -0.40 0.00 0.33 0.00 0.00 56.93 58.85 1jvo s PHE 114 Cb 0.23 -3.28 -0.17 0.00 -1.31 0.00 0.00 43.02 38.49 1jvo s PHE 114 CO 0.15 -0.59 1.72 -2.30 1.83 0.00 0.00 175.22 176.03 1jvo n PRO 115 N 1.83 0.00 0.00 10.12 -0.02 -1.26 -1.17 135.00 144.49 1jvo n PRO 115 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1jvo n PRO 115 Cb 0.45 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 5.56 2.79 0.30 -1.23 0.00 -1.26 -4.90 105.19 106.46 1jvo n GLY 116 Ca 0.41 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 0.30 0.00 1.61 3.86 -1.41 -2.25 115.15 117.26 1jvo h HIS 117 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1jvo h HIS 117 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1jvo h HIS 117 CO 0.00 0.18 0.04 0.66 0.86 0.00 0.00 177.93 179.67 1jvo h SER 118 N 0.32 0.00 -0.49 2.45 4.64 -1.71 1.14 113.55 119.90 1jvo h SER 118 Ca 0.12 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1jvo h SER 118 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1jvo h SER 118 CO -0.03 0.00 0.22 0.00 -0.87 0.00 0.00 176.83 176.16 1jvo h ALA 119 N 1.90 0.61 0.00 5.18 0.00 -1.75 -3.34 119.26 121.87 1jvo h ALA 119 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1jvo h ALA 119 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jvo h ALA 119 CO 0.00 -0.14 -1.67 1.28 0.00 0.00 0.00 179.25 178.72 1jvo n LEU 120 N -4.93 1.70 -4.51 0.00 4.77 -0.52 -4.88 117.00 108.63 1jvo n LEU 120 Ca 0.04 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1jvo n LEU 120 Cb 0.15 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1jvo n LEU 120 CO 0.28 0.50 1.54 -0.04 -1.33 0.00 0.00 177.39 178.34 1jvo s MET 121 N -2.24 3.96 0.18 3.23 -1.94 0.38 -4.81 119.30 118.07 1jvo s MET 121 Ca -0.11 -2.18 -0.23 0.00 -1.71 0.00 0.00 55.69 51.46 1jvo s MET 121 Cb 0.04 -5.22 0.06 0.00 2.01 0.00 0.00 34.83 31.71 1jvo s MET 121 CO 0.32 -1.96 0.64 -1.59 -0.01 0.00 0.00 175.02 172.42 1jvo s LYS 122 N 2.83 1.37 0.12 2.03 0.00 -1.26 -2.03 119.74 122.80 1jvo s LYS 122 Ca 0.45 -0.57 -0.26 0.00 0.00 0.00 0.00 55.97 55.60 1jvo s LYS 122 Cb -0.01 0.58 0.08 0.00 0.00 0.00 0.00 37.83 38.49 1jvo s LYS 122 CO 0.01 -0.61 1.07 0.20 0.00 0.00 0.00 175.35 176.02 1jvo s GLY 123 N -2.78 -0.18 -0.01 0.59 0.00 -0.21 -4.77 107.32 99.96 1jvo s GLY 123 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1jvo s GLY 123 CO -0.09 0.89 0.19 -0.51 0.00 0.00 0.00 173.10 173.59 1jvo s THR 124 N -2.75 5.43 -0.18 0.90 -4.23 -0.35 -0.47 115.64 113.98 1jvo s THR 124 Ca 0.16 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1jvo s THR 124 Cb -0.00 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.32 1jvo s THR 124 CO 0.02 0.33 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.01 1jvo s LEU 125 N -1.93 2.20 0.08 4.79 0.20 -0.81 -0.80 118.68 122.41 1jvo s LEU 125 Ca 0.27 -0.69 0.06 0.00 0.69 0.00 0.00 54.13 54.46 1jvo s LEU 125 Cb -0.13 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1jvo s LEU 125 CO 0.19 -0.02 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.27 1jvo s THR 126 N 1.29 3.55 -0.51 3.68 2.01 0.88 -3.76 115.64 122.78 1jvo s THR 126 Ca 0.04 -1.11 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 1jvo s THR 126 Cb -0.13 -2.64 0.13 0.00 0.01 0.00 0.00 72.50 69.86 1jvo s THR 126 CO -0.12 0.17 0.36 -0.22 -0.69 0.00 0.00 174.62 174.12 1jvo s LEU 127 N -2.07 5.62 0.00 4.42 1.98 -1.26 0.00 118.68 127.37 1jvo s LEU 127 Ca 0.21 -2.14 0.11 0.00 -2.89 0.00 0.00 54.13 49.43 1jvo s LEU 127 Cb -0.11 -1.97 0.09 0.00 0.66 0.00 0.00 46.19 44.86 1jvo s LEU 127 CO 0.13 -0.61 0.84 2.29 -1.89 0.00 0.00 176.35 177.12