#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 3.16 -0.92 0.00 2.12 -1.26 -4.64 118.70 117.17 1jvo s GLU 2 Ca 0.00 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 1jvo s GLU 2 Cb 0.00 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1jvo s GLU 2 CO 0.00 -0.14 0.13 0.00 -0.54 0.00 0.00 175.26 174.71 1jvo s SER 4 N -2.63 -0.31 0.02 0.00 1.04 -1.26 -1.67 113.70 108.90 1jvo s SER 4 Ca 0.07 0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.65 1jvo s SER 4 Cb -0.03 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1jvo s SER 4 CO 0.08 -0.37 0.11 0.54 0.98 0.00 0.00 173.24 174.58 1jvo s VAL 5 N -1.80 0.11 -0.16 5.02 0.11 -0.45 -3.44 120.40 119.80 1jvo s VAL 5 Ca 0.02 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1jvo s VAL 5 Cb -0.01 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1jvo s VAL 5 CO -0.03 -0.51 -0.10 -1.81 -3.33 0.00 0.00 175.10 169.32 1jvo s ASP 6 N -1.82 4.14 0.03 3.54 1.11 -1.26 -1.92 116.67 120.49 1jvo s ASP 6 Ca -0.09 -0.33 0.05 0.00 0.18 0.00 0.00 52.55 52.35 1jvo s ASP 6 Cb -0.04 -1.66 -0.02 0.00 1.07 0.00 0.00 42.92 42.27 1jvo s ASP 6 CO -0.02 0.11 -0.14 -0.51 1.18 0.00 0.00 175.17 175.79 1jvo s ILE 7 N 0.70 1.08 0.10 0.77 2.07 -0.50 -4.97 121.20 120.44 1jvo s ILE 7 Ca -0.05 -0.90 0.09 0.00 -1.41 0.00 0.00 60.65 58.38 1jvo s ILE 7 Cb -0.15 -0.96 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1jvo s ILE 7 CO 0.02 0.05 -0.23 -1.10 -1.91 0.00 0.00 174.94 171.78 1jvo s GLN 8 N -0.97 1.30 -0.19 3.50 -0.21 -1.26 -2.41 119.66 119.41 1jvo s GLN 8 Ca 0.02 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1jvo s GLN 8 Cb -0.07 -1.60 0.04 0.00 1.00 0.00 0.00 33.01 32.39 1jvo s GLN 8 CO 0.01 0.38 -0.07 0.20 -2.12 0.00 0.00 175.29 173.69 1jvo s GLY 9 N -1.77 1.13 0.42 3.09 0.00 -0.94 -1.74 107.32 107.50 1jvo s GLY 9 Ca 0.09 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1jvo s GLY 9 CO 0.04 0.84 0.58 1.16 0.00 0.00 0.00 173.10 175.71 1jvo n ASN 10 N 4.77 1.45 0.28 1.64 0.23 -0.91 -3.96 115.26 118.76 1jvo n ASN 10 Ca -0.13 -2.06 0.18 0.00 -0.53 0.00 0.00 54.58 52.03 1jvo n ASN 10 Cb 0.47 -0.31 0.74 0.00 -2.08 0.00 0.00 39.78 38.60 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 0.03 0.00 0.00 0.53 3.32 -1.91 -2.40 116.42 116.00 1jvo h ASP 11 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1jvo h ASP 11 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1jvo h ASP 11 CO 0.27 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1jvo n GLN 12 N -3.06 0.97 -3.53 3.56 3.00 -1.26 -4.86 117.38 112.20 1jvo n GLN 12 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 1jvo n GLN 12 Cb 0.28 -1.11 0.08 0.00 0.00 0.00 0.00 30.24 29.49 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 -0.38 -7.48 -4.03 -1.09 1.56 -0.90 -5.01 117.12 99.78 1jvo n MET 13 Ca 0.00 0.82 -0.12 0.00 -0.27 0.00 0.00 57.70 58.13 1jvo n MET 13 Cb 0.05 -5.82 -0.11 0.00 2.15 0.00 0.00 33.22 29.49 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 -6.03 0.43 0.17 2.12 -0.21 -1.26 -4.33 119.66 110.56 1jvo s GLN 14 Ca 0.42 -0.66 -0.08 0.00 0.02 0.00 0.00 55.36 55.06 1jvo s GLN 14 Cb -0.18 -0.14 -0.06 0.00 1.00 0.00 0.00 33.01 33.62 1jvo s GLN 14 CO 0.72 0.01 0.46 -0.06 -2.12 0.00 0.00 175.29 174.30 1jvo s PHE 15 N -1.32 3.48 -0.29 0.91 0.08 -1.26 -2.14 117.98 117.44 1jvo s PHE 15 Ca -0.11 0.75 -0.00 0.00 0.12 0.00 0.00 56.93 57.68 1jvo s PHE 15 Cb -0.09 -2.15 0.23 0.00 -0.57 0.00 0.00 43.02 40.43 1jvo s PHE 15 CO -0.00 0.38 1.89 0.27 -0.10 0.00 0.00 175.22 177.66 1jvo n ASN 16 N 0.16 5.80 0.00 1.36 6.94 -0.71 -4.79 115.26 124.01 1jvo n ASN 16 Ca -0.02 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1jvo n ASN 16 Cb 0.52 -0.98 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 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 0.25 0.00 -1.19 5.53 5.66 -1.26 -4.87 114.28 118.40 1jvo n THR 17 Ca 0.29 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.36 1jvo n THR 17 Cb 0.67 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.55 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 1.76 -3.67 1.09 0.23 -1.26 -4.86 115.26 108.55 1jvo n ASN 18 Ca 0.00 -2.72 -0.08 0.00 -0.53 0.00 0.00 54.58 51.24 1jvo n ASN 18 Cb 0.00 -0.34 -0.09 0.00 -2.08 0.00 0.00 39.78 37.27 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 -2.05 -1.25 -0.06 -2.53 0.00 -1.26 -1.14 121.76 113.48 1jvo s ALA 19 Ca 0.22 1.65 0.06 0.00 0.00 0.00 0.00 51.96 53.88 1jvo s ALA 19 Cb 0.19 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1jvo s ALA 19 CO 0.02 -0.59 -0.24 0.42 0.00 0.00 0.00 175.76 175.37 1jvo s ILE 20 N 2.19 1.96 -0.20 0.00 1.01 -0.08 -4.98 121.20 121.09 1jvo s ILE 20 Ca -0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1jvo s ILE 20 Cb -0.10 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1jvo s ILE 20 CO -0.14 0.54 -0.14 -0.89 0.00 0.00 0.00 174.94 174.32 1jvo s THR 21 N -0.09 2.54 -0.26 2.92 2.01 -1.26 -0.85 115.64 120.64 1jvo s THR 21 Ca -0.05 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1jvo s THR 21 Cb -0.14 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1jvo s THR 21 CO 0.04 0.47 0.17 -0.69 -0.69 0.00 0.00 174.62 173.93 1jvo s VAL 22 N 1.35 5.29 -0.00 3.82 1.01 -0.18 -4.98 120.40 126.71 1jvo s VAL 22 Ca 0.05 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1jvo s VAL 22 Cb -0.14 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1jvo s VAL 22 CO -0.09 0.29 1.25 -0.62 0.00 0.00 0.00 175.10 175.92 1jvo s ASP 23 N 1.48 7.01 0.54 3.32 -1.08 -1.26 -2.26 116.67 124.42 1jvo s ASP 23 Ca 0.07 1.95 0.25 0.00 -0.52 0.00 0.00 52.55 54.30 1jvo s ASP 23 Cb -0.15 -2.57 1.42 0.00 -1.46 0.00 0.00 42.92 40.16 1jvo s ASP 23 CO 0.08 -0.58 2.01 0.11 0.52 0.00 0.00 175.17 177.32 1jvo h LYS 24 N 7.32 0.00 0.00 4.34 1.57 -1.61 0.88 116.57 129.07 1jvo h LYS 24 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 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 0.86 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.40 1jvo h SER 25 N 0.00 0.00 -3.55 0.86 4.64 -1.91 -3.43 113.55 110.16 1jvo h SER 25 Ca 0.22 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.02 1jvo h SER 25 Cb 0.89 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1jvo h SER 25 CO -0.00 0.00 0.48 0.00 -0.87 0.00 0.00 176.83 176.44 1jvo h LYS 27 N 5.14 0.21 -4.39 0.00 6.56 -1.87 -3.42 116.57 118.79 1jvo h LYS 27 Ca -0.44 -0.25 -0.18 0.00 -1.06 0.00 0.00 60.65 58.72 1jvo h LYS 27 Cb 1.21 0.08 -0.16 0.00 -0.57 0.00 0.00 32.23 32.79 1jvo h LYS 27 CO 0.73 1.01 -0.69 1.14 -2.06 0.00 0.00 179.45 179.57 1jvo s GLN 28 N -2.92 0.65 0.08 3.15 -2.07 -1.26 -0.93 119.66 116.36 1jvo s GLN 28 Ca -0.15 -1.15 0.10 0.00 -1.82 0.00 0.00 55.36 52.33 1jvo s GLN 28 Cb 0.01 0.00 -0.03 0.00 -1.09 0.00 0.00 33.01 31.90 1jvo s GLN 28 CO 0.76 -0.06 -0.26 0.12 -1.32 0.00 0.00 175.29 174.54 1jvo s PHE 29 N -3.29 2.21 -0.07 9.60 5.36 0.12 -4.82 117.98 127.09 1jvo s PHE 29 Ca 0.04 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1jvo s PHE 29 Cb 0.03 -1.27 -0.00 0.00 -0.34 0.00 0.00 43.02 41.45 1jvo s PHE 29 CO -0.06 0.21 -0.20 0.99 -1.46 0.00 0.00 175.22 174.70 1jvo s THR 30 N -0.93 1.70 -0.17 0.12 2.01 -0.67 -1.21 115.64 116.48 1jvo s THR 30 Ca 0.12 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1jvo s THR 30 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1jvo s THR 30 CO 0.04 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.64 1jvo s VAL 31 N 0.20 2.97 -0.33 3.82 1.01 -0.28 -1.34 120.40 126.45 1jvo s VAL 31 Ca -0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1jvo s VAL 31 Cb -0.15 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1jvo s VAL 31 CO 0.05 0.49 0.10 0.20 0.00 0.00 0.00 175.10 175.94 1jvo s ASN 32 N 0.91 5.26 -0.16 3.32 0.01 -0.81 -1.65 114.94 121.83 1jvo s ASN 32 Ca -0.03 -1.05 -0.08 0.00 -0.71 0.00 0.00 52.86 50.99 1jvo s ASN 32 Cb -0.15 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1jvo s ASN 32 CO -0.01 -0.30 0.12 -0.22 -1.51 0.00 0.00 177.10 175.18 1jvo s LEU 33 N 1.42 4.20 0.02 0.60 2.96 0.92 -1.41 118.68 127.39 1jvo s LEU 33 Ca -0.01 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1jvo s LEU 33 Cb -0.19 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1jvo s LEU 33 CO 0.03 0.29 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.37 1jvo s SER 34 N -0.32 0.31 -0.46 3.68 1.04 -1.01 -0.77 113.70 116.17 1jvo s SER 34 Ca 0.11 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.12 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 0.01 -0.23 0.22 -2.28 0.98 0.00 0.00 173.24 171.95 1jvo s HIS 35 N -1.17 3.53 -1.38 5.02 2.46 -1.14 -2.22 115.29 120.39 1jvo s HIS 35 Ca -0.12 -2.77 0.02 0.00 0.47 0.00 0.00 55.06 52.67 1jvo s HIS 35 Cb -0.08 -3.08 0.09 0.00 -0.13 0.00 0.00 32.58 29.38 1jvo s HIS 35 CO -0.01 -0.90 0.83 -0.35 -2.47 0.00 0.00 174.74 171.84 1jvo n PRO 36 N 4.01 1.35 -0.36 2.88 -0.04 -1.25 -1.48 135.00 140.11 1jvo n PRO 36 Ca 0.03 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1jvo n PRO 36 Cb 0.39 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.32 0.54 0.00 0.55 0.00 -1.26 -4.90 105.19 100.43 1jvo n GLY 37 Ca 0.03 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.03 4.99 -4.76 1.61 5.03 -1.26 -4.08 115.26 114.76 1jvo n ASN 38 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 1jvo n ASN 38 Cb 0.00 0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 39.51 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 -3.42 4.43 0.77 3.41 1.43 -1.26 -4.78 118.68 119.25 1jvo s LEU 39 Ca 0.00 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.37 1jvo s LEU 39 Cb 0.00 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.53 1jvo s LEU 39 CO 0.00 -0.37 1.08 -2.16 0.23 0.00 0.00 176.35 175.14 1jvo s PRO 40 N -1.76 2.34 0.51 1.29 0.04 -1.26 -2.76 135.00 133.40 1jvo s PRO 40 Ca 0.49 0.93 0.40 0.00 0.04 0.00 0.00 61.00 62.86 1jvo s PRO 40 Cb -0.33 -1.92 1.58 0.00 0.04 0.00 0.00 34.50 33.87 1jvo s PRO 40 CO 0.43 -1.51 1.64 -0.22 0.04 0.00 0.00 177.00 177.37 1jvo h LYS 41 N -1.02 0.04 0.13 4.56 3.64 -1.87 -1.54 116.57 120.50 1jvo h LYS 41 Ca -0.45 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1jvo h LYS 41 Cb 1.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1jvo h LYS 41 CO 0.55 0.02 -0.49 0.00 -2.27 0.00 0.00 179.45 177.27 1jvo h VAL 43 N -0.71 1.05 -0.86 0.00 2.07 -1.68 -3.42 116.25 112.70 1jvo h VAL 43 Ca -0.01 -2.36 -0.45 0.00 0.82 0.00 0.00 66.70 64.70 1jvo h VAL 43 Cb 0.71 2.68 -0.42 0.00 -1.52 0.00 0.00 31.29 32.74 1jvo h VAL 43 CO -0.26 0.64 -0.94 0.80 0.02 0.00 0.00 177.57 177.84 1jvo n MET 44 N -4.03 2.72 -2.26 1.57 0.00 -0.68 -5.04 117.12 109.40 1jvo n MET 44 Ca -0.25 -3.93 -0.35 0.00 -0.00 0.00 0.00 57.70 53.16 1jvo n MET 44 Cb 0.84 -1.95 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 2.65 0.05 -5.12 0.00 -0.95 -4.80 107.32 95.57 1jvo s GLY 45 Ca 0.41 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1jvo s GLY 45 CO -0.03 1.21 -0.04 0.30 0.00 0.00 0.00 173.10 174.54 1jvo s HIS 46 N -1.74 0.56 0.24 1.90 3.76 -0.72 -4.74 115.29 114.54 1jvo s HIS 46 Ca 0.72 -0.87 -0.10 0.00 -0.15 0.00 0.00 55.06 54.66 1jvo s HIS 46 Cb -0.24 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.06 1jvo s HIS 46 CO 0.28 -0.26 0.40 0.54 -0.85 0.00 0.00 174.74 174.85 1jvo s ASN 47 N -2.50 -0.03 -0.17 1.40 2.20 -1.26 0.11 114.94 114.68 1jvo s ASN 47 Ca 0.01 -1.03 0.01 0.00 -0.94 0.00 0.00 52.86 50.91 1jvo s ASN 47 Cb 0.02 0.54 0.03 0.00 -2.00 0.00 0.00 41.25 39.84 1jvo s ASN 47 CO -0.06 -1.08 -0.13 0.86 -2.94 0.00 0.00 177.10 173.76 1jvo s TRP 48 N -4.04 2.31 -0.04 1.54 -0.00 -1.26 -4.10 118.94 113.34 1jvo s TRP 48 Ca 0.26 -1.41 0.06 0.00 -0.00 0.00 0.00 56.10 55.01 1jvo s TRP 48 Cb 0.01 -1.63 -0.01 0.00 -0.00 0.00 0.00 33.47 31.84 1jvo s TRP 48 CO 0.10 -0.71 -0.23 0.08 -0.00 0.00 0.00 176.95 176.19 1jvo s VAL 49 N 1.44 1.89 -0.06 5.86 1.01 0.32 -1.78 120.40 129.07 1jvo s VAL 49 Ca 0.02 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1jvo s VAL 49 Cb -0.14 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1jvo s VAL 49 CO -0.10 0.53 -0.24 -0.22 0.00 0.00 0.00 175.10 175.07 1jvo s LEU 50 N -0.23 2.14 0.00 3.92 2.96 -0.53 -0.92 118.68 126.03 1jvo s LEU 50 Ca -0.00 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 1jvo s LEU 50 Cb -0.12 -1.39 0.04 0.00 0.50 0.00 0.00 46.19 45.21 1jvo s LEU 50 CO 0.02 0.25 0.53 -1.54 -1.32 0.00 0.00 176.35 174.29 1jvo n SER 51 N 2.92 -1.31 -4.83 3.68 3.41 -0.82 -0.59 113.62 116.07 1jvo n SER 51 Ca -0.17 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.26 1jvo n SER 51 Cb 0.52 2.17 -0.05 0.00 -0.26 0.00 0.00 64.21 66.60 1jvo n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jvo s THR 52 N -2.39 4.40 0.41 6.66 -4.23 -1.26 -0.62 115.64 118.61 1jvo s THR 52 Ca 0.11 1.31 0.15 0.00 -1.18 0.00 0.00 61.69 62.08 1jvo s THR 52 Cb -0.03 -3.64 0.35 0.00 1.34 0.00 0.00 72.50 70.53 1jvo s THR 52 CO 0.06 -0.50 1.89 0.00 -0.54 0.00 0.00 174.62 175.53 1jvo h ALA 53 N 1.34 2.07 -0.03 3.99 0.00 -1.69 -0.48 119.26 124.47 1jvo h ALA 53 Ca -0.48 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1jvo h ALA 53 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1jvo h ALA 53 CO 0.61 -0.31 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 1jvo h ALA 54 N 1.62 1.52 -0.00 0.00 0.00 -1.91 -3.11 119.26 117.37 1jvo h ALA 54 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jvo h ALA 54 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jvo h ALA 54 CO -0.16 0.36 -0.63 -0.25 0.00 0.00 0.00 179.25 178.58 1jvo n ASP 55 N -4.21 0.93 0.09 0.00 8.00 -0.22 -4.57 116.55 116.57 1jvo n ASP 55 Ca -0.02 -0.75 -0.15 0.00 0.71 0.00 0.00 54.79 54.58 1jvo n ASP 55 Cb 0.32 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.48 -0.64 -0.64 -1.24 4.05 -1.40 0.36 114.93 115.90 1jvo h MET 56 Ca 0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.60 1jvo h MET 56 Cb 0.53 0.15 -0.12 0.00 -0.80 0.00 0.00 31.60 31.36 1jvo h MET 56 CO 0.00 -0.43 -0.10 0.37 0.23 0.00 0.00 176.91 176.99 1jvo h GLN 57 N -0.67 0.04 -0.83 0.39 5.75 -1.80 0.21 115.11 118.21 1jvo h GLN 57 Ca -0.00 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1jvo h GLN 57 Cb 0.68 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.18 1jvo h GLN 57 CO -0.28 0.03 0.54 0.78 -2.65 0.00 0.00 178.83 177.24 1jvo h GLY 58 N 0.04 1.19 0.60 2.39 0.00 -1.69 0.34 103.07 105.94 1jvo h GLY 58 Ca 0.32 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1jvo h GLY 58 CO -0.62 0.37 -0.04 -2.08 0.00 0.00 0.00 176.54 174.18 1jvo h VAL 59 N 1.07 1.14 -0.28 4.60 2.07 0.84 -2.51 116.25 123.18 1jvo h VAL 59 Ca 0.32 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1jvo h VAL 59 Cb -0.04 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1jvo h VAL 59 CO -0.10 0.21 -0.12 0.58 0.02 0.00 0.00 177.57 178.17 1jvo h VAL 60 N -0.51 0.61 -0.06 2.57 2.07 -0.47 0.18 116.25 120.64 1jvo h VAL 60 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1jvo h VAL 60 Cb 0.43 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1jvo h VAL 60 CO 0.02 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.24 1jvo h THR 61 N -0.07 0.71 0.00 2.57 2.02 -0.95 -1.93 112.91 115.25 1jvo h THR 61 Ca 0.14 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1jvo h THR 61 Cb 0.29 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1jvo h THR 61 CO -0.33 0.00 -0.40 0.44 0.37 0.00 0.00 175.52 175.60 1jvo h ASP 62 N -0.16 0.00 -0.46 4.18 3.32 -1.18 -2.98 116.42 119.15 1jvo h ASP 62 Ca 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1jvo h ASP 62 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1jvo h ASP 62 CO -0.16 0.40 -0.07 1.23 -1.72 0.00 0.00 179.24 178.92 1jvo h GLY 63 N 2.10 0.93 1.40 2.75 0.00 -0.32 -1.95 103.07 107.97 1jvo h GLY 63 Ca -0.00 -0.74 0.05 0.00 0.00 0.00 0.00 47.33 46.64 1jvo h GLY 63 CO 0.05 0.68 0.29 1.98 0.00 0.00 0.00 176.54 179.53 1jvo h MET 64 N 0.70 0.36 -0.05 4.80 1.85 -1.21 -1.62 114.93 119.76 1jvo h MET 64 Ca 0.12 -0.02 -0.23 0.00 -0.61 0.00 0.00 59.70 58.96 1jvo h MET 64 Cb 0.60 -0.08 0.01 0.00 0.43 0.00 0.00 31.60 32.56 1jvo h MET 64 CO 0.04 0.24 -0.89 0.00 -0.40 0.00 0.00 176.91 175.90 1jvo h ALA 65 N 1.77 0.34 -0.20 0.39 0.00 -1.36 -3.26 119.26 116.94 1jvo h ALA 65 Ca 0.18 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jvo h ALA 65 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jvo h ALA 65 CO -0.04 0.75 0.17 0.77 0.00 0.00 0.00 179.25 180.90 1jvo h SER 66 N 0.34 0.00 -4.28 0.00 0.02 -0.52 -3.48 113.55 105.64 1jvo h SER 66 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1jvo h SER 66 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1jvo h SER 66 CO 0.17 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1jvo n GLY 67 N -1.48 -1.11 0.37 -3.77 0.00 -1.20 -4.20 105.19 93.80 1jvo n GLY 67 Ca 0.02 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 0.98 -2.04 0.99 5.85 -1.90 -1.39 115.31 117.79 1jvo h LEU 68 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1jvo h LEU 68 Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1jvo h LEU 68 CO 0.00 0.58 0.18 0.44 -0.34 0.00 0.00 178.44 179.30 1jvo h ASP 69 N 1.09 0.00 -0.57 1.25 3.32 -2.01 0.34 116.42 119.84 1jvo h ASP 69 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1jvo h ASP 69 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jvo h ASP 69 CO -0.21 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.60 1jvo n LYS 70 N -4.36 2.96 -2.71 3.56 4.76 -0.61 -4.90 118.16 116.86 1jvo n LYS 70 Ca 0.03 -2.32 -0.20 0.00 -2.87 0.00 0.00 58.31 52.94 1jvo n LYS 70 Cb 0.32 -1.68 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.05 -5.76 -3.91 4.39 9.92 0.11 -2.54 116.55 119.82 1jvo n ASP 71 Ca 0.21 -0.16 -0.26 0.00 -0.53 0.00 0.00 54.79 54.05 1jvo n ASP 71 Cb 0.67 -4.67 -0.01 0.00 -0.64 0.00 0.00 41.12 36.48 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 -4.26 -1.77 -3.72 1.24 4.01 -0.69 -4.75 117.16 107.22 1jvo n TYR 72 Ca -0.16 0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 58.24 1jvo n TYR 72 Cb 0.64 -3.85 -0.13 0.00 -0.31 0.00 0.00 39.34 35.69 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 -6.95 0.38 0.20 7.72 1.43 -1.05 -4.37 118.68 116.04 1jvo s LEU 73 Ca 0.12 0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 53.41 1jvo s LEU 73 Cb -0.06 0.70 -0.11 0.00 0.03 0.00 0.00 46.19 46.75 1jvo s LEU 73 CO 0.87 -0.17 1.63 -0.75 0.23 0.00 0.00 176.35 178.16 1jvo s LYS 74 N 1.33 4.17 0.19 1.70 2.20 -1.26 -4.85 119.74 123.22 1jvo s LYS 74 Ca -0.09 2.49 -0.33 0.00 -0.36 0.00 0.00 55.97 57.68 1jvo s LYS 74 Cb -0.11 -3.10 -0.13 0.00 -1.51 0.00 0.00 37.83 32.98 1jvo s LYS 74 CO -0.08 -0.66 1.60 -2.30 -0.36 0.00 0.00 175.35 173.54 1jvo n PRO 75 N 3.73 2.33 -3.27 4.03 -0.02 -1.26 -2.30 135.00 138.23 1jvo n PRO 75 Ca 0.14 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.22 1jvo n PRO 75 Cb 0.37 -2.62 0.02 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.33 -5.08 -4.65 2.55 8.00 -1.26 -4.90 116.55 114.54 1jvo n ASP 76 Ca 0.16 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 1jvo n ASP 76 Cb 0.31 -4.12 -0.03 0.00 -0.02 0.00 0.00 41.12 37.26 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 -2.80 6.34 0.55 -2.24 -1.08 -0.97 -4.85 116.67 111.62 1jvo s ASP 77 Ca 0.39 2.31 0.36 0.00 -0.52 0.00 0.00 52.55 55.09 1jvo s ASP 77 Cb -0.19 -2.53 1.63 0.00 -1.46 0.00 0.00 42.92 40.38 1jvo s ASP 77 CO 0.48 -1.19 2.06 0.77 0.52 0.00 0.00 175.17 177.82 1jvo h SER 78 N 11.03 0.00 1.23 -0.34 4.64 -1.92 -2.67 113.55 125.52 1jvo h SER 78 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jvo h SER 78 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1jvo h SER 78 CO 0.95 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.45 1jvo n ARG 79 N -2.98 0.23 -2.88 4.77 1.74 -1.26 -4.70 116.66 111.58 1jvo n ARG 79 Ca -0.00 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.91 1jvo n ARG 79 Cb 0.22 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.81 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 4.53 0.23 1.55 1.01 -1.01 -4.50 120.40 119.05 1jvo s VAL 80 Ca 0.09 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1jvo s VAL 80 Cb 0.12 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1jvo s VAL 80 CO 0.53 -0.85 1.58 0.40 0.00 0.00 0.00 175.10 176.76 1jvo h ILE 81 N 6.03 1.33 -1.92 2.22 2.04 -1.13 -3.47 117.51 122.60 1jvo h ILE 81 Ca -0.25 -1.72 0.15 0.00 1.00 0.00 0.00 64.86 64.04 1jvo h ILE 81 Cb 1.08 1.75 -0.18 0.00 -0.74 0.00 0.00 36.82 38.73 1jvo h ILE 81 CO 1.01 0.53 0.60 0.00 0.00 0.00 0.00 178.15 180.30 1jvo s ALA 82 N -4.04 -1.92 -0.13 1.87 0.00 -1.23 -4.98 121.76 111.33 1jvo s ALA 82 Ca -0.06 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1jvo s ALA 82 Cb 0.12 0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.44 1jvo s ALA 82 CO 0.81 -0.60 1.01 -3.38 0.00 0.00 0.00 175.76 173.60 1jvo s HIS 83 N -2.61 -0.33 0.45 0.00 -3.43 -1.26 -1.45 115.29 106.66 1jvo s HIS 83 Ca 0.05 0.47 0.03 0.00 -0.80 0.00 0.00 55.06 54.81 1jvo s HIS 83 Cb -0.01 0.48 0.08 0.00 -1.43 0.00 0.00 32.58 31.70 1jvo s HIS 83 CO -0.06 -0.36 0.62 0.25 -2.00 0.00 0.00 174.74 173.18 1jvo n THR 84 N 0.43 0.00 -2.39 -5.38 -2.24 -0.74 -4.85 114.28 99.11 1jvo n THR 84 Ca -0.09 -1.20 -0.25 0.00 -2.27 0.00 0.00 64.05 60.24 1jvo n THR 84 Cb 0.59 -0.85 0.13 0.00 -2.10 0.00 0.00 70.33 68.09 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 -4.02 1.42 -0.35 -0.78 1.02 -1.26 -4.62 119.74 111.16 1jvo s LYS 85 Ca 0.44 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 1jvo s LYS 85 Cb -0.03 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1jvo s LYS 85 CO 0.28 -1.70 0.88 -1.17 -0.92 0.00 0.00 175.35 172.72 1jvo s LEU 86 N -5.35 4.04 0.11 3.17 2.96 -1.26 -4.35 118.68 118.00 1jvo s LEU 86 Ca 0.68 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 55.23 1jvo s LEU 86 Cb -0.05 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1jvo s LEU 86 CO 0.47 -0.77 0.03 0.27 -1.32 0.00 0.00 176.35 175.03 1jvo s ILE 87 N 3.28 4.15 0.00 6.68 -4.36 0.30 -4.85 121.20 126.41 1jvo s ILE 87 Ca 0.36 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 1jvo s ILE 87 Cb -0.13 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.57 1jvo s ILE 87 CO 0.16 0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.02 1jvo n GLY 88 N 0.37 2.60 3.72 6.27 0.00 -1.26 -1.76 105.19 115.13 1jvo n GLY 88 Ca -0.10 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.69 3.37 0.00 1.61 2.88 -1.11 -2.27 113.62 116.41 1jvo n SER 89 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1jvo n SER 89 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 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 1.63 1.42 3.49 0.46 0.00 -0.55 -4.96 105.19 106.68 1jvo n GLY 90 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.76 -1.35 -3.46 1.61 1.02 -0.96 -4.87 120.64 110.87 1jvo n GLU 91 Ca 0.00 -1.85 -0.12 0.00 -0.02 0.00 0.00 57.16 55.17 1jvo n GLU 91 Cb 0.00 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -5.62 1.10 -0.06 3.49 2.47 -1.26 -2.87 119.74 116.99 1jvo s LYS 92 Ca 0.68 -0.30 -0.29 0.00 -1.56 0.00 0.00 55.97 54.50 1jvo s LYS 92 Cb -0.02 0.51 0.10 0.00 -1.46 0.00 0.00 37.83 36.96 1jvo s LYS 92 CO 0.48 -0.46 0.87 0.34 0.16 0.00 0.00 175.35 176.75 1jvo s ASP 93 N -2.39 -0.43 0.14 1.43 2.15 0.05 -5.01 116.67 112.60 1jvo s ASP 93 Ca 0.00 0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.28 1jvo s ASP 93 Cb -0.01 0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 42.96 1jvo s ASP 93 CO -0.08 -0.54 -0.07 -0.44 -0.17 0.00 0.00 175.17 173.87 1jvo s SER 94 N -1.78 1.49 -0.14 -0.34 0.01 -1.26 -0.06 113.70 111.62 1jvo s SER 94 Ca -0.01 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1jvo s SER 94 Cb -0.01 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1jvo s SER 94 CO -0.02 -0.42 0.34 0.54 0.41 0.00 0.00 173.24 174.09 1jvo s VAL 95 N -3.48 -0.02 -0.06 3.43 0.11 -0.66 -4.88 120.40 114.84 1jvo s VAL 95 Ca 0.17 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 1jvo s VAL 95 Cb 0.04 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1jvo s VAL 95 CO -0.00 0.04 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.69 1jvo s THR 96 N 1.05 2.32 0.12 5.04 2.01 -1.26 -1.13 115.64 123.80 1jvo s THR 96 Ca -0.07 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1jvo s THR 96 Cb -0.07 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1jvo s THR 96 CO -0.08 0.57 -0.01 0.72 -0.69 0.00 0.00 174.62 175.12 1jvo s PHE 97 N -0.25 0.95 -0.23 4.92 -0.71 -0.35 -4.95 117.98 117.36 1jvo s PHE 97 Ca -0.00 -1.03 -0.29 0.00 -1.04 0.00 0.00 56.93 54.57 1jvo s PHE 97 Cb -0.13 -0.56 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1jvo s PHE 97 CO 0.03 -0.27 1.05 -0.51 -1.34 0.00 0.00 175.22 174.18 1jvo s ASP 98 N -3.07 7.09 0.56 1.98 1.11 -1.26 -0.70 116.67 122.37 1jvo s ASP 98 Ca 0.18 1.39 0.28 0.00 0.18 0.00 0.00 52.55 54.57 1jvo s ASP 98 Cb 0.06 -2.54 1.47 0.00 1.07 0.00 0.00 42.92 42.98 1jvo s ASP 98 CO -0.01 -0.68 1.96 0.58 1.18 0.00 0.00 175.17 178.20 1jvo h VAL 99 N 5.46 0.55 -0.00 -1.27 2.07 -1.29 0.67 116.25 122.43 1jvo h VAL 99 Ca -0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1jvo h VAL 99 Cb 1.06 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1jvo h VAL 99 CO 0.98 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.34 1jvo h SER 100 N 0.00 0.00 0.17 0.57 4.64 -1.88 0.07 113.55 117.13 1jvo h SER 100 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1jvo h SER 100 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1jvo h SER 100 CO -0.00 0.00 -0.02 0.11 -0.87 0.00 0.00 176.83 176.04 1jvo h LYS 101 N 0.00 0.00 -6.30 4.77 1.57 -1.24 -3.41 116.57 111.96 1jvo h LYS 101 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1jvo h LYS 101 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1jvo h LYS 101 CO -0.00 0.02 -0.04 -0.51 -0.57 0.00 0.00 179.45 178.35 1jvo s LEU 102 N -6.81 4.43 -0.20 2.94 1.43 0.01 -5.06 118.68 115.42 1jvo s LEU 102 Ca -0.04 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1jvo s LEU 102 Cb 0.13 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.28 1jvo s LEU 102 CO 0.50 0.18 -0.14 -1.59 0.23 0.00 0.00 176.35 175.53 1jvo s LYS 103 N -1.54 2.45 0.29 1.70 -2.85 -1.26 -5.02 119.74 113.51 1jvo s LYS 103 Ca 0.34 -0.94 -0.27 0.00 -1.00 0.00 0.00 55.97 54.10 1jvo s LYS 103 Cb -0.17 -2.56 -0.15 0.00 -2.06 0.00 0.00 37.83 32.89 1jvo s LYS 103 CO 0.19 -0.37 0.70 -1.91 0.10 0.00 0.00 175.35 174.06 1jvo n GLU 104 N 4.61 0.64 0.00 1.78 2.13 -1.26 -2.65 120.64 125.89 1jvo n GLU 104 Ca -0.17 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1jvo n GLU 104 Cb 0.47 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 1.66 3.07 3.87 8.31 0.00 -1.26 -5.06 105.19 115.78 1jvo n GLY 105 Ca 0.13 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 3.17 -0.17 1.61 2.12 -1.08 -5.05 118.70 119.30 1jvo s GLU 106 Ca 0.00 0.63 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 1jvo s GLU 106 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1jvo s GLU 106 CO 0.00 -0.85 0.43 -0.65 -0.54 0.00 0.00 175.26 173.65 1jvo s GLN 107 N -5.25 4.23 -0.04 4.30 -0.21 -1.26 -4.89 119.66 116.54 1jvo s GLN 107 Ca 0.57 0.29 0.06 0.00 0.02 0.00 0.00 55.36 56.30 1jvo s GLN 107 Cb -0.11 -3.50 -0.02 0.00 1.00 0.00 0.00 33.01 30.38 1jvo s GLN 107 CO 0.53 0.03 -0.22 0.71 -2.12 0.00 0.00 175.29 174.22 1jvo s TYR 108 N 1.08 2.48 -0.04 0.91 2.02 -1.24 -1.88 117.35 120.68 1jvo s TYR 108 Ca 0.21 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1jvo s TYR 108 Cb -0.15 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1jvo s TYR 108 CO 0.08 -0.03 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.18 1jvo s MET 109 N -0.48 1.97 0.08 -0.62 -1.94 0.21 -1.13 119.30 117.39 1jvo s MET 109 Ca 0.06 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.37 1jvo s MET 109 Cb -0.11 -1.76 -0.04 0.00 2.01 0.00 0.00 34.83 34.93 1jvo s MET 109 CO 0.01 0.36 -0.18 -0.59 -0.01 0.00 0.00 175.02 174.61 1jvo s PHE 110 N -0.22 2.55 0.09 -0.03 -0.12 0.18 -1.95 117.98 118.49 1jvo s PHE 110 Ca 0.01 -0.26 -0.27 0.00 -0.05 0.00 0.00 56.93 56.36 1jvo s PHE 110 Cb -0.11 -1.40 0.08 0.00 -0.63 0.00 0.00 43.02 40.96 1jvo s PHE 110 CO 0.01 0.33 1.05 -0.59 -0.05 0.00 0.00 175.22 175.98 1jvo s PHE 111 N -1.05 -0.11 -0.14 3.49 -0.71 -0.09 -0.97 117.98 118.39 1jvo s PHE 111 Ca 0.17 -0.12 -0.11 0.00 -1.04 0.00 0.00 56.93 55.82 1jvo s PHE 111 Cb -0.11 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1jvo s PHE 111 CO 0.08 -0.65 0.23 0.00 -1.34 0.00 0.00 175.22 173.53 1jvo n THR 113 N 2.95 0.62 -2.16 0.00 -2.24 -1.26 -3.31 114.28 108.87 1jvo n THR 113 Ca -0.15 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 1jvo n THR 113 Cb 0.53 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.38 3.23 -0.29 4.78 2.19 -1.26 -4.49 117.98 120.75 1jvo s PHE 114 Ca 0.38 1.01 -0.26 0.00 0.33 0.00 0.00 56.93 58.39 1jvo s PHE 114 Cb 0.21 -3.68 -0.11 0.00 -1.31 0.00 0.00 43.02 38.12 1jvo s PHE 114 CO 0.28 -2.31 1.14 -2.30 1.83 0.00 0.00 175.22 173.86 1jvo n PRO 115 N 3.51 0.00 0.00 10.12 -0.02 -1.26 -0.52 135.00 146.82 1jvo n PRO 115 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1jvo n PRO 115 Cb 0.42 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 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 3.67 2.72 0.21 -1.23 0.00 -1.26 -4.88 105.19 104.40 1jvo n GLY 116 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.44 0.00 1.61 3.86 -1.08 -3.04 115.15 116.94 1jvo h HIS 117 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1jvo h HIS 117 Cb 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1jvo h HIS 117 CO 0.00 0.75 0.12 0.66 0.86 0.00 0.00 177.93 180.32 1jvo h SER 118 N 0.30 0.00 -0.47 2.45 4.64 -1.72 0.43 113.55 119.18 1jvo h SER 118 Ca 0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1jvo h SER 118 Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1jvo h SER 118 CO 0.07 0.00 0.29 0.00 -0.87 0.00 0.00 176.83 176.33 1jvo h ALA 119 N 1.73 0.60 0.00 5.18 0.00 -1.88 -3.33 119.26 121.55 1jvo h ALA 119 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1jvo h ALA 119 Cb 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1jvo h ALA 119 CO 0.00 -0.00 -1.96 1.28 0.00 0.00 0.00 179.25 178.57 1jvo n LEU 120 N -4.80 1.41 -4.45 0.00 4.77 -0.42 -4.87 117.00 108.65 1jvo n LEU 120 Ca 0.02 -0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.52 1jvo n LEU 120 Cb 0.05 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1jvo n LEU 120 CO 0.33 0.55 1.29 -0.04 -1.33 0.00 0.00 177.39 178.20 1jvo s MET 121 N -2.34 4.05 0.09 3.23 -1.94 0.14 -4.83 119.30 117.71 1jvo s MET 121 Ca -0.15 -2.56 -0.22 0.00 -1.71 0.00 0.00 55.69 51.05 1jvo s MET 121 Cb 0.05 -5.00 0.06 0.00 2.01 0.00 0.00 34.83 31.95 1jvo s MET 121 CO 0.48 -1.72 0.55 -1.59 -0.01 0.00 0.00 175.02 172.73 1jvo s LYS 122 N 1.41 1.14 0.26 2.03 0.00 -1.26 -2.16 119.74 121.16 1jvo s LYS 122 Ca 0.40 -0.35 -0.20 0.00 0.00 0.00 0.00 55.97 55.82 1jvo s LYS 122 Cb -0.04 0.52 0.06 0.00 0.00 0.00 0.00 37.83 38.37 1jvo s LYS 122 CO -0.02 -0.45 0.88 0.20 0.00 0.00 0.00 175.35 175.96 1jvo s GLY 123 N -2.33 0.09 -0.01 0.59 0.00 -0.14 -4.81 107.32 100.71 1jvo s GLY 123 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1jvo s GLY 123 CO -0.07 0.51 0.13 -0.51 0.00 0.00 0.00 173.10 173.16 1jvo s THR 124 N -2.79 5.09 -0.18 0.90 -4.23 -0.30 -0.64 115.64 113.50 1jvo s THR 124 Ca 0.16 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1jvo s THR 124 Cb -0.04 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1jvo s THR 124 CO 0.07 0.34 -0.20 -0.22 -0.54 0.00 0.00 174.62 174.07 1jvo s LEU 125 N -1.83 2.14 -0.02 4.79 0.20 -0.28 -0.90 118.68 122.78 1jvo s LEU 125 Ca 0.25 -0.64 0.05 0.00 0.69 0.00 0.00 54.13 54.48 1jvo s LEU 125 Cb -0.12 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1jvo s LEU 125 CO 0.16 0.01 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.18 1jvo s THR 126 N 1.24 2.90 -0.52 3.68 2.01 -0.03 -3.68 115.64 121.24 1jvo s THR 126 Ca 0.04 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.98 1jvo s THR 126 Cb -0.13 -2.16 0.11 0.00 0.01 0.00 0.00 72.50 70.34 1jvo s THR 126 CO -0.12 0.51 0.46 -0.22 -0.69 0.00 0.00 174.62 174.56 1jvo s LEU 127 N -0.96 5.99 0.00 4.42 1.98 -1.26 -1.01 118.68 127.84 1jvo s LEU 127 Ca 0.13 -1.69 0.10 0.00 -2.89 0.00 0.00 54.13 49.78 1jvo s LEU 127 Cb -0.11 -2.18 0.08 0.00 0.66 0.00 0.00 46.19 44.64 1jvo s LEU 127 CO 0.02 -0.79 0.82 2.29 -1.89 0.00 0.00 176.35 176.81