#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 3.47 -1.24 0.00 2.12 -1.26 -4.56 118.70 117.24 1jvo s GLU 2 Ca 0.00 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1jvo s GLU 2 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1jvo s GLU 2 CO 0.00 -0.14 0.00 0.00 -0.54 0.00 0.00 175.26 174.58 1jvo s SER 4 N -2.43 -0.53 -0.04 0.00 1.04 -1.26 -1.44 113.70 109.05 1jvo s SER 4 Ca 0.00 0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 1jvo s SER 4 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1jvo s SER 4 CO 0.00 -0.65 0.19 0.54 0.98 0.00 0.00 173.24 174.29 1jvo s VAL 5 N -2.18 0.04 -0.23 5.02 0.11 -0.28 -3.51 120.40 119.38 1jvo s VAL 5 Ca -0.03 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 58.62 1jvo s VAL 5 Cb -0.01 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1jvo s VAL 5 CO -0.01 -0.18 0.08 -1.81 -3.33 0.00 0.00 175.10 169.86 1jvo s ASP 6 N -0.62 5.46 0.08 3.54 1.11 -1.26 -1.20 116.67 123.78 1jvo s ASP 6 Ca -0.07 -0.06 0.07 0.00 0.18 0.00 0.00 52.55 52.67 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 0.01 0.05 -0.19 -0.51 1.18 0.00 0.00 175.17 175.71 1jvo s ILE 7 N 1.13 1.51 0.10 0.77 2.07 0.50 -4.97 121.20 122.31 1jvo s ILE 7 Ca 0.05 -1.42 0.06 0.00 -1.41 0.00 0.00 60.65 57.94 1jvo s ILE 7 Cb -0.14 -1.38 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 1jvo s ILE 7 CO 0.04 -0.08 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.73 1jvo s GLN 8 N -1.75 0.99 -0.22 3.50 -0.21 -1.26 -1.79 119.66 118.91 1jvo s GLN 8 Ca 0.04 -1.11 -0.01 0.00 0.02 0.00 0.00 55.36 54.30 1jvo s GLN 8 Cb -0.10 -1.05 0.06 0.00 1.00 0.00 0.00 33.01 32.93 1jvo s GLN 8 CO 0.03 0.23 0.01 0.20 -2.12 0.00 0.00 175.29 173.64 1jvo s GLY 9 N -2.01 0.99 0.60 3.09 0.00 -0.45 -1.84 107.32 107.69 1jvo s GLY 9 Ca 0.04 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 43.73 1jvo s GLY 9 CO 0.03 1.24 0.83 0.54 0.00 0.00 0.00 173.10 175.74 1jvo s ASN 10 N 1.64 4.94 0.55 1.64 2.20 -0.95 -4.02 114.94 120.94 1jvo s ASN 10 Ca -0.02 -0.52 0.32 0.00 -0.94 0.00 0.00 52.86 51.70 1jvo s ASN 10 Cb -0.18 -0.09 1.53 0.00 -2.00 0.00 0.00 41.25 40.51 1jvo s ASN 10 CO -0.09 -1.41 2.06 0.44 -2.94 0.00 0.00 177.10 175.16 1jvo h ASP 11 N -0.01 0.00 0.00 3.54 3.32 -1.91 -1.57 116.42 119.78 1jvo h ASP 11 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1jvo h ASP 11 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1jvo h ASP 11 CO 0.43 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 1jvo n GLN 12 N -3.32 0.82 -3.53 3.56 3.00 -1.26 -4.84 117.38 111.81 1jvo n GLN 12 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.79 1jvo n GLN 12 Cb 0.26 -1.07 0.07 0.00 0.00 0.00 0.00 30.24 29.50 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 -0.40 -6.36 -3.96 -1.09 1.56 -0.59 -5.01 117.12 101.27 1jvo n MET 13 Ca 0.00 0.78 -0.10 0.00 -0.27 0.00 0.00 57.70 58.12 1jvo n MET 13 Cb 0.04 -5.70 -0.11 0.00 2.15 0.00 0.00 33.22 29.60 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 -5.67 0.32 0.05 2.12 -0.21 -1.25 -4.43 119.66 110.60 1jvo s GLN 14 Ca 0.10 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 54.80 1jvo s GLN 14 Cb -0.05 0.12 -0.06 0.00 1.00 0.00 0.00 33.01 34.02 1jvo s GLN 14 CO 0.75 -0.06 0.46 -0.06 -2.12 0.00 0.00 175.29 174.27 1jvo s PHE 15 N -1.35 3.70 -0.04 0.91 0.08 -1.25 -2.24 117.98 117.78 1jvo s PHE 15 Ca -0.15 1.02 0.00 0.00 0.12 0.00 0.00 56.93 57.92 1jvo s PHE 15 Cb -0.09 -2.32 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1jvo s PHE 15 CO -0.01 0.57 1.57 0.27 -0.10 0.00 0.00 175.22 177.53 1jvo n ASN 16 N 1.45 4.39 0.00 1.36 6.94 -0.77 -4.75 115.26 123.88 1jvo n ASN 16 Ca -0.11 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 1jvo n ASN 16 Cb 0.52 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 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 0.90 0.00 -1.56 5.53 5.66 -1.26 -4.87 114.28 118.68 1jvo n THR 17 Ca 0.04 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.05 1jvo n THR 17 Cb 0.54 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.34 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 0.33 -3.69 1.09 0.23 -1.26 -4.88 115.26 107.08 1jvo n ASN 18 Ca 0.00 -1.85 -0.11 0.00 -0.53 0.00 0.00 54.58 52.09 1jvo n ASN 18 Cb 0.00 -0.16 -0.12 0.00 -2.08 0.00 0.00 39.78 37.42 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 -0.34 -0.85 -0.09 -2.53 0.00 -1.25 0.07 121.76 116.77 1jvo s ALA 19 Ca 0.03 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1jvo s ALA 19 Cb 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1jvo s ALA 19 CO 0.00 -0.45 -0.20 0.42 0.00 0.00 0.00 175.76 175.54 1jvo s ILE 20 N 1.88 1.73 -0.20 0.00 1.01 0.27 -4.95 121.20 120.94 1jvo s ILE 20 Ca -0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1jvo s ILE 20 Cb -0.10 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1jvo s ILE 20 CO -0.11 0.49 -0.02 -0.89 0.00 0.00 0.00 174.94 174.41 1jvo s THR 21 N 0.45 3.72 -0.38 2.92 2.01 -1.26 0.56 115.64 123.67 1jvo s THR 21 Ca -0.17 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1jvo s THR 21 Cb -0.17 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1jvo s THR 21 CO 0.07 0.43 0.22 -0.69 -0.69 0.00 0.00 174.62 173.96 1jvo s VAL 22 N 1.09 4.57 0.16 3.82 1.01 0.25 -4.95 120.40 126.36 1jvo s VAL 22 Ca 0.02 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 1jvo s VAL 22 Cb -0.14 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1jvo s VAL 22 CO 0.01 -0.27 1.76 -0.62 0.00 0.00 0.00 175.10 175.98 1jvo s ASP 23 N 1.60 6.42 0.54 3.32 -1.08 -1.26 -2.67 116.67 123.54 1jvo s ASP 23 Ca 0.02 2.79 0.21 0.00 -0.52 0.00 0.00 52.55 55.04 1jvo s ASP 23 Cb -0.20 -2.58 1.41 0.00 -1.46 0.00 0.00 42.92 40.09 1jvo s ASP 23 CO 0.06 -0.97 2.14 0.11 0.52 0.00 0.00 175.17 177.03 1jvo h LYS 24 N 7.68 0.00 0.00 4.34 1.57 -1.54 -1.52 116.57 127.10 1jvo h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 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 0.95 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.49 1jvo h SER 25 N 0.00 0.00 -3.74 0.86 4.64 -1.90 -3.43 113.55 109.98 1jvo h SER 25 Ca 0.05 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.86 1jvo h SER 25 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1jvo h SER 25 CO -0.00 0.00 0.54 0.00 -0.87 0.00 0.00 176.83 176.50 1jvo h LYS 27 N 4.08 0.13 -4.61 0.00 6.56 -1.88 -3.43 116.57 117.42 1jvo h LYS 27 Ca -0.47 -0.19 -0.23 0.00 -1.06 0.00 0.00 60.65 58.70 1jvo h LYS 27 Cb 1.22 0.07 -0.16 0.00 -0.57 0.00 0.00 32.23 32.78 1jvo h LYS 27 CO 0.69 1.05 -0.70 1.14 -2.06 0.00 0.00 179.45 179.56 1jvo s GLN 28 N -2.52 0.76 0.07 3.15 -2.07 -1.26 -0.73 119.66 117.06 1jvo s GLN 28 Ca -0.17 -1.21 0.09 0.00 -1.82 0.00 0.00 55.36 52.26 1jvo s GLN 28 Cb -0.01 -0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 31.68 1jvo s GLN 28 CO 0.74 -0.01 -0.25 0.12 -1.32 0.00 0.00 175.29 174.58 1jvo s PHE 29 N -3.18 2.16 -0.07 9.60 5.36 0.33 -4.81 117.98 127.36 1jvo s PHE 29 Ca 0.07 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 1jvo s PHE 29 Cb 0.02 -1.24 -0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1jvo s PHE 29 CO -0.04 0.19 -0.21 0.99 -1.46 0.00 0.00 175.22 174.69 1jvo s THR 30 N -0.91 1.80 -0.21 0.12 2.01 -0.52 -1.55 115.64 116.38 1jvo s THR 30 Ca 0.11 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1jvo s THR 30 Cb -0.10 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 1jvo s THR 30 CO 0.03 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 1jvo s VAL 31 N 0.22 3.13 -0.31 3.82 1.01 -0.52 -1.12 120.40 126.63 1jvo s VAL 31 Ca -0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1jvo s VAL 31 Cb -0.16 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1jvo s VAL 31 CO 0.06 0.45 0.14 0.20 0.00 0.00 0.00 175.10 175.95 1jvo s ASN 32 N 1.40 5.51 -0.13 3.32 0.01 -0.34 -2.03 114.94 122.68 1jvo s ASN 32 Ca 0.05 -0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 51.63 1jvo s ASN 32 Cb -0.14 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1jvo s ASN 32 CO -0.05 -0.19 0.04 -0.22 -1.51 0.00 0.00 177.10 175.17 1jvo s LEU 33 N 1.61 3.73 0.04 0.60 2.96 0.83 -0.37 118.68 128.06 1jvo s LEU 33 Ca 0.05 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1jvo s LEU 33 Cb -0.17 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1jvo s LEU 33 CO 0.06 0.29 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.37 1jvo s SER 34 N -0.32 0.70 -0.55 3.68 1.04 -0.74 -1.31 113.70 116.19 1jvo s SER 34 Ca 0.08 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.98 1jvo s SER 34 Cb -0.12 0.06 0.14 0.00 0.10 0.00 0.00 66.02 66.20 1jvo s SER 34 CO 0.02 -0.25 0.31 -2.28 0.98 0.00 0.00 173.24 172.02 1jvo s HIS 35 N -1.54 3.25 -2.00 5.02 2.46 -1.10 -1.34 115.29 120.04 1jvo s HIS 35 Ca -0.10 -3.18 0.11 0.00 0.47 0.00 0.00 55.06 52.36 1jvo s HIS 35 Cb -0.09 -2.83 0.67 0.00 -0.13 0.00 0.00 32.58 30.20 1jvo s HIS 35 CO -0.00 -0.72 1.22 -0.35 -2.47 0.00 0.00 174.74 172.42 1jvo n PRO 36 N 2.95 0.72 0.00 2.88 -0.04 -1.26 0.25 135.00 140.50 1jvo n PRO 36 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1jvo n PRO 36 Cb 0.33 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.33 -1.35 0.00 0.55 0.00 -1.26 -4.86 105.19 98.60 1jvo n GLY 37 Ca 0.08 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.86 4.90 -4.77 1.61 5.03 -1.26 -4.06 115.26 114.86 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 0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 39.26 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 -3.92 4.20 0.83 3.41 1.43 -1.26 -4.72 118.68 118.66 1jvo s LEU 39 Ca 0.00 2.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 1jvo s LEU 39 Cb 0.00 -3.89 0.09 0.00 0.03 0.00 0.00 46.19 42.42 1jvo s LEU 39 CO 0.00 -0.91 1.10 -2.16 0.23 0.00 0.00 176.35 174.61 1jvo s PRO 40 N -2.26 1.78 0.51 1.29 0.04 -1.26 -2.26 135.00 132.83 1jvo s PRO 40 Ca 0.57 0.68 0.35 0.00 0.04 0.00 0.00 61.00 62.64 1jvo s PRO 40 Cb -0.40 -1.88 1.49 0.00 0.04 0.00 0.00 34.50 33.75 1jvo s PRO 40 CO 0.51 -1.84 1.74 -0.22 0.04 0.00 0.00 177.00 177.23 1jvo h LYS 41 N -1.25 0.08 0.73 4.56 3.64 -1.87 -1.72 116.57 120.74 1jvo h LYS 41 Ca -0.48 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1jvo h LYS 41 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1jvo h LYS 41 CO 0.58 0.05 -0.38 0.00 -2.27 0.00 0.00 179.45 177.43 1jvo h VAL 43 N -1.03 1.67 -1.06 0.00 2.07 -1.80 -3.41 116.25 112.69 1jvo h VAL 43 Ca -0.10 -2.33 -0.52 0.00 0.82 0.00 0.00 66.70 64.57 1jvo h VAL 43 Cb 0.80 3.23 -0.42 0.00 -1.52 0.00 0.00 31.29 33.38 1jvo h VAL 43 CO 0.14 0.57 -0.84 0.80 0.02 0.00 0.00 177.57 178.26 1jvo n MET 44 N -4.58 3.16 -2.52 1.57 0.00 -0.69 -5.04 117.12 109.01 1jvo n MET 44 Ca -0.13 -4.17 -0.37 0.00 -0.00 0.00 0.00 57.70 53.02 1jvo n MET 44 Cb 0.51 -2.12 -0.04 0.00 0.00 0.00 0.00 33.22 31.57 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 -3.55 2.81 0.07 -5.12 0.00 -0.93 -4.80 107.32 95.80 1jvo s GLY 45 Ca 0.46 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.94 1jvo s GLY 45 CO -0.06 1.21 -0.08 0.30 0.00 0.00 0.00 173.10 174.47 1jvo s HIS 46 N -1.55 0.84 0.17 1.90 3.76 -0.73 -4.67 115.29 115.00 1jvo s HIS 46 Ca 0.55 -0.67 -0.05 0.00 -0.15 0.00 0.00 55.06 54.74 1jvo s HIS 46 Cb -0.24 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.94 1jvo s HIS 46 CO 0.30 -0.08 0.20 0.54 -0.85 0.00 0.00 174.74 174.85 1jvo s ASN 47 N -2.25 0.13 -0.23 1.40 4.22 -1.26 0.21 114.94 117.16 1jvo s ASN 47 Ca 0.01 -1.09 0.01 0.00 -2.14 0.00 0.00 52.86 49.65 1jvo s ASN 47 Cb -0.03 0.40 0.04 0.00 1.28 0.00 0.00 41.25 42.93 1jvo s ASN 47 CO -0.01 -0.86 -0.13 0.86 -2.04 0.00 0.00 177.10 174.92 1jvo s TRP 48 N -4.04 3.06 -0.09 1.54 -0.00 -1.26 -3.88 118.94 114.27 1jvo s TRP 48 Ca 0.24 -1.92 0.04 0.00 -0.00 0.00 0.00 56.10 54.47 1jvo s TRP 48 Cb 0.05 -1.96 -0.00 0.00 -0.00 0.00 0.00 33.47 31.56 1jvo s TRP 48 CO 0.04 -0.82 -0.23 0.08 -0.00 0.00 0.00 176.95 176.02 1jvo s VAL 49 N 1.22 2.16 -0.08 5.86 1.01 -0.04 -1.69 120.40 128.84 1jvo s VAL 49 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1jvo s VAL 49 Cb -0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1jvo s VAL 49 CO -0.08 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.24 1jvo s LEU 50 N 0.18 2.82 0.16 3.92 2.96 -0.69 -1.50 118.68 126.55 1jvo s LEU 50 Ca -0.14 -0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 1jvo s LEU 50 Cb -0.17 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 45.00 1jvo s LEU 50 CO 0.07 0.30 1.04 -0.94 -1.32 0.00 0.00 176.35 175.51 1jvo s SER 51 N -0.46 -0.03 0.44 3.68 1.04 -0.72 -0.89 113.70 116.76 1jvo s SER 51 Ca 0.06 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 1jvo s SER 51 Cb -0.12 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 1jvo s SER 51 CO 0.02 -0.93 1.08 0.42 0.98 0.00 0.00 173.24 174.82 1jvo s THR 52 N -2.37 3.54 0.44 2.02 -4.23 -1.26 -0.37 115.64 113.42 1jvo s THR 52 Ca 0.20 1.13 0.22 0.00 -1.18 0.00 0.00 61.69 62.06 1jvo s THR 52 Cb -0.02 -3.55 0.42 0.00 1.34 0.00 0.00 72.50 70.69 1jvo s THR 52 CO 0.04 -0.04 1.81 0.00 -0.54 0.00 0.00 174.62 175.89 1jvo h ALA 53 N 2.17 2.43 -0.16 3.99 0.00 -1.78 0.21 119.26 126.12 1jvo h ALA 53 Ca -0.49 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1jvo h ALA 53 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jvo h ALA 53 CO 0.61 -0.77 -0.24 0.00 0.00 0.00 0.00 179.25 178.84 1jvo h ALA 54 N 1.58 1.30 -0.02 0.00 0.00 -1.90 -3.11 119.26 117.11 1jvo h ALA 54 Ca 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jvo h ALA 54 Cb 1.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jvo h ALA 54 CO -0.19 0.47 -0.21 -0.25 0.00 0.00 0.00 179.25 179.07 1jvo n ASP 55 N -4.16 1.88 0.30 0.00 8.00 0.70 -4.54 116.55 118.73 1jvo n ASP 55 Ca -0.01 -1.46 -0.18 0.00 0.71 0.00 0.00 54.79 53.85 1jvo n ASP 55 Cb 0.36 0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 1jvo n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jvo h MET 56 N 2.62 -0.96 -0.52 -1.24 4.05 -1.37 -0.21 114.93 117.30 1jvo h MET 56 Ca 0.00 0.07 0.10 0.00 -0.28 0.00 0.00 59.70 59.59 1jvo h MET 56 Cb 0.70 0.22 -0.10 0.00 -0.80 0.00 0.00 31.60 31.61 1jvo h MET 56 CO 0.00 -0.64 -0.19 0.37 0.23 0.00 0.00 176.91 176.68 1jvo h GLN 57 N -1.00 -0.06 -0.53 0.39 5.75 -1.80 0.15 115.11 118.01 1jvo h GLN 57 Ca -0.07 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1jvo h GLN 57 Cb 0.86 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.37 1jvo h GLN 57 CO -0.05 -0.04 0.26 0.78 -2.65 0.00 0.00 178.83 177.13 1jvo h GLY 58 N -0.07 0.74 0.82 2.39 0.00 -1.78 -0.90 103.07 104.27 1jvo h GLY 58 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1jvo h GLY 58 CO -0.57 0.11 0.02 -2.08 0.00 0.00 0.00 176.54 174.02 1jvo h VAL 59 N 0.51 1.18 -0.93 4.60 2.07 -0.02 -2.40 116.25 121.25 1jvo h VAL 59 Ca 0.23 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1jvo h VAL 59 Cb 0.15 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1jvo h VAL 59 CO -0.17 0.15 0.60 0.58 0.02 0.00 0.00 177.57 178.76 1jvo h VAL 60 N -0.07 1.12 -0.38 2.57 2.07 -0.49 0.13 116.25 121.21 1jvo h VAL 60 Ca 0.03 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1jvo h VAL 60 Cb 0.22 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1jvo h VAL 60 CO -0.00 0.21 -0.25 0.74 0.02 0.00 0.00 177.57 178.29 1jvo h THR 61 N 1.14 1.28 0.00 2.57 2.02 -1.11 -2.67 112.91 116.14 1jvo h THR 61 Ca 0.38 -1.40 -0.16 0.00 0.77 0.00 0.00 66.41 65.99 1jvo h THR 61 Cb 0.06 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1jvo h THR 61 CO -0.14 0.47 -0.78 0.44 0.37 0.00 0.00 175.52 175.88 1jvo h ASP 62 N 0.63 0.00 -0.16 4.18 3.32 -1.22 -3.20 116.42 119.98 1jvo h ASP 62 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1jvo h ASP 62 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1jvo h ASP 62 CO 0.07 0.78 0.07 1.23 -1.72 0.00 0.00 179.24 179.66 1jvo h GLY 63 N 2.85 0.26 0.36 2.75 0.00 -0.73 -1.20 103.07 107.37 1jvo h GLY 63 Ca -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 47.33 47.36 1jvo h GLY 63 CO 0.10 0.14 0.59 1.98 0.00 0.00 0.00 176.54 179.35 1jvo h MET 64 N 0.11 0.55 0.01 4.80 1.85 -1.51 0.87 114.93 121.61 1jvo h MET 64 Ca 0.05 -0.03 -0.20 0.00 -0.61 0.00 0.00 59.70 58.92 1jvo h MET 64 Cb 0.17 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1jvo h MET 64 CO -0.00 0.36 -0.91 0.00 -0.40 0.00 0.00 176.91 175.96 1jvo h ALA 65 N 1.61 0.50 -0.88 0.39 0.00 -1.46 -3.23 119.26 116.20 1jvo h ALA 65 Ca 0.48 -0.79 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1jvo h ALA 65 Cb 0.96 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1jvo h ALA 65 CO -0.22 1.05 0.57 0.77 0.00 0.00 0.00 179.25 181.42 1jvo h SER 66 N 0.03 0.76 -4.61 0.00 0.02 0.41 -3.48 113.55 106.67 1jvo h SER 66 Ca -0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvo h SER 66 Cb 1.58 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1jvo h SER 66 CO 0.13 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1jvo n GLY 67 N -1.42 0.32 0.40 -3.77 0.00 -1.11 -4.19 105.19 95.42 1jvo n GLY 67 Ca 0.15 -1.67 0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 0.48 -1.03 0.99 5.85 -1.90 0.31 115.31 120.01 1jvo h LEU 68 Ca 0.00 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1jvo h LEU 68 Cb 0.00 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 1jvo h LEU 68 CO 0.00 0.06 0.62 0.44 -0.34 0.00 0.00 178.44 179.22 1jvo h ASP 69 N 0.40 0.85 -0.71 1.25 5.19 -2.00 -0.84 116.42 120.56 1jvo h ASP 69 Ca 0.63 0.07 -0.27 0.00 -0.62 0.00 0.00 57.03 56.84 1jvo h ASP 69 Cb 1.54 -0.10 -0.16 0.00 0.18 0.00 0.00 39.33 40.80 1jvo h ASP 69 CO -0.36 0.39 0.34 0.29 -3.12 0.00 0.00 179.24 176.78 1jvo n LYS 70 N -4.67 2.97 -3.19 3.56 4.76 0.10 -4.88 118.16 116.81 1jvo n LYS 70 Ca 0.21 -2.62 -0.21 0.00 -2.87 0.00 0.00 58.31 52.82 1jvo n LYS 70 Cb 0.46 -2.07 -0.00 0.00 -1.84 0.00 0.00 35.03 31.58 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 -0.34 -3.86 -4.08 4.39 9.92 -0.32 -1.16 116.55 121.11 1jvo n ASP 71 Ca 0.40 -0.28 -0.29 0.00 -0.53 0.00 0.00 54.79 54.09 1jvo n ASP 71 Cb 1.33 -3.20 -0.04 0.00 -0.64 0.00 0.00 41.12 38.57 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 -3.87 -1.51 -3.71 1.24 4.01 -0.71 -4.77 117.16 107.84 1jvo n TYR 72 Ca -0.04 0.65 -0.12 0.00 -0.16 0.00 0.00 57.90 58.23 1jvo n TYR 72 Cb 0.56 -3.34 -0.12 0.00 -0.31 0.00 0.00 39.34 36.12 1jvo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jvo s LEU 73 N -7.12 0.15 0.13 7.72 1.43 -0.31 -4.41 118.68 116.27 1jvo s LEU 73 Ca 0.05 0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 1jvo s LEU 73 Cb -0.02 0.96 -0.10 0.00 0.03 0.00 0.00 46.19 47.06 1jvo s LEU 73 CO 0.93 -0.18 1.70 -0.75 0.23 0.00 0.00 176.35 178.27 1jvo s LYS 74 N 1.44 4.17 0.26 1.70 2.20 -1.26 -4.84 119.74 123.41 1jvo s LYS 74 Ca -0.08 2.47 -0.30 0.00 -0.36 0.00 0.00 55.97 57.69 1jvo s LYS 74 Cb -0.10 -3.39 -0.14 0.00 -1.51 0.00 0.00 37.83 32.70 1jvo s LYS 74 CO -0.10 -0.74 1.29 -2.30 -0.36 0.00 0.00 175.35 173.14 1jvo n PRO 75 N 4.92 1.83 -2.98 4.03 -0.02 -1.26 -2.10 135.00 139.42 1jvo n PRO 75 Ca 0.16 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 62.11 1jvo n PRO 75 Cb 0.38 -2.23 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.72 -3.72 -4.69 2.55 8.00 -1.26 -4.88 116.55 114.27 1jvo n ASP 76 Ca 0.10 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1jvo n ASP 76 Cb 0.31 -3.11 -0.03 0.00 -0.02 0.00 0.00 41.12 38.27 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 -2.44 6.46 0.31 -2.24 -1.08 -0.89 -4.88 116.67 111.91 1jvo s ASP 77 Ca 0.23 2.69 0.08 0.00 -0.52 0.00 0.00 52.55 55.04 1jvo s ASP 77 Cb -0.12 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.27 1jvo s ASP 77 CO 0.29 -0.99 1.71 0.77 0.52 0.00 0.00 175.17 177.47 1jvo h SER 78 N 8.82 0.17 0.39 -0.34 4.64 -1.92 -3.08 113.55 122.23 1jvo h SER 78 Ca -0.46 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1jvo h SER 78 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1jvo h SER 78 CO 0.94 0.58 0.00 0.54 -0.87 0.00 0.00 176.83 178.03 1jvo n ARG 79 N -4.01 0.15 -3.04 4.77 1.74 -1.26 -4.59 116.66 110.42 1jvo n ARG 79 Ca -0.02 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 1jvo n ARG 79 Cb 0.48 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 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 -3.36 4.81 0.11 1.55 1.01 -1.17 -4.48 120.40 118.88 1jvo s VAL 80 Ca 0.02 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 1jvo s VAL 80 Cb 0.07 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 1jvo s VAL 80 CO 0.28 -0.40 1.29 0.40 0.00 0.00 0.00 175.10 176.67 1jvo h ILE 81 N 5.74 1.31 -2.29 2.22 2.04 -1.26 -3.48 117.51 121.79 1jvo h ILE 81 Ca -0.26 -2.17 0.09 0.00 1.00 0.00 0.00 64.86 63.53 1jvo h ILE 81 Cb 1.10 2.20 -0.16 0.00 -0.74 0.00 0.00 36.82 39.23 1jvo h ILE 81 CO 0.88 0.67 0.47 0.00 0.00 0.00 0.00 178.15 180.16 1jvo s ALA 82 N -3.51 -1.81 -0.06 1.87 0.00 -1.25 -5.01 121.76 111.99 1jvo s ALA 82 Ca -0.09 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1jvo s ALA 82 Cb 0.08 0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.68 1jvo s ALA 82 CO 0.89 -0.66 0.95 -3.38 0.00 0.00 0.00 175.76 173.57 1jvo s HIS 83 N -2.99 -0.32 0.01 0.00 -3.43 -1.26 -1.71 115.29 105.59 1jvo s HIS 83 Ca 0.04 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1jvo s HIS 83 Cb -0.01 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1jvo s HIS 83 CO -0.08 -0.46 0.01 0.25 -2.00 0.00 0.00 174.74 172.46 1jvo n THR 84 N -0.03 0.00 -2.76 -5.38 -2.24 -0.68 -4.81 114.28 98.38 1jvo n THR 84 Ca -0.08 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 1jvo n THR 84 Cb 0.60 -1.02 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1jvo n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jvo s LYS 85 N -2.07 2.71 -0.22 -0.78 1.02 -1.26 -4.62 119.74 114.52 1jvo s LYS 85 Ca 0.01 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 1jvo s LYS 85 Cb -0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1jvo s LYS 85 CO 0.01 -0.57 1.12 -1.17 -0.92 0.00 0.00 175.35 173.82 1jvo s LEU 86 N -4.69 4.11 0.13 3.17 2.96 -1.26 -4.37 118.68 118.73 1jvo s LEU 86 Ca 0.54 1.46 0.08 0.00 -0.22 0.00 0.00 54.13 55.99 1jvo s LEU 86 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1jvo s LEU 86 CO 0.38 -0.73 -0.12 0.27 -1.32 0.00 0.00 176.35 174.84 1jvo s ILE 87 N 3.36 3.17 0.19 6.68 -4.36 0.13 -4.90 121.20 125.48 1jvo s ILE 87 Ca 0.48 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.42 1jvo s ILE 87 Cb -0.17 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1jvo s ILE 87 CO 0.10 0.03 0.13 0.61 0.24 0.00 0.00 174.94 176.05 1jvo n GLY 88 N 0.50 3.01 3.53 6.27 0.00 -1.26 -1.78 105.19 115.47 1jvo n GLY 88 Ca -0.13 -2.22 -0.49 0.00 0.00 0.00 0.00 46.02 43.18 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 -1.89 0.65 0.00 1.61 2.88 -0.96 -1.39 113.62 114.52 1jvo n SER 89 Ca -0.01 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1jvo n SER 89 Cb 0.22 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 1.84 1.69 3.66 0.46 0.00 0.14 -4.96 105.19 108.02 1jvo n GLY 90 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.07 1.61 2.02 -0.48 -4.82 118.70 117.05 1jvo s GLU 91 Ca 0.00 0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.13 1jvo s GLU 91 Cb 0.00 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.56 1jvo s GLU 91 CO 0.00 -3.00 0.39 0.21 0.02 0.00 0.00 175.26 172.88 1jvo s LYS 92 N -5.12 0.95 -0.12 1.61 2.47 -1.26 -2.73 119.74 115.54 1jvo s LYS 92 Ca 0.67 -0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 1jvo s LYS 92 Cb -0.16 0.42 0.12 0.00 -1.46 0.00 0.00 37.83 36.75 1jvo s LYS 92 CO 0.57 -0.34 0.99 0.34 0.16 0.00 0.00 175.35 177.07 1jvo s ASP 93 N -2.25 -0.34 0.15 1.43 2.15 -0.43 -5.03 116.67 112.35 1jvo s ASP 93 Ca -0.03 0.22 -0.01 0.00 0.43 0.00 0.00 52.55 53.17 1jvo s ASP 93 Cb 0.00 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 1jvo s ASP 93 CO -0.05 -0.41 0.08 -0.44 -0.17 0.00 0.00 175.17 174.17 1jvo s SER 94 N -1.66 0.30 -0.09 -0.34 0.01 -1.26 -0.12 113.70 110.54 1jvo s SER 94 Ca 0.02 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 55.86 1jvo s SER 94 Cb -0.01 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1jvo s SER 94 CO -0.03 -0.76 0.39 0.54 0.41 0.00 0.00 173.24 173.79 1jvo s VAL 95 N -4.07 0.02 -0.02 3.43 0.11 -0.86 -4.88 120.40 114.13 1jvo s VAL 95 Ca 0.28 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1jvo s VAL 95 Cb 0.07 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1jvo s VAL 95 CO 0.05 -0.10 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.66 1jvo s THR 96 N -0.50 1.35 0.21 5.04 2.01 -1.26 -1.44 115.64 121.06 1jvo s THR 96 Ca -0.06 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1jvo s THR 96 Cb -0.04 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1jvo s THR 96 CO 0.03 0.39 0.05 0.72 -0.69 0.00 0.00 174.62 175.11 1jvo s PHE 97 N -0.26 1.36 -0.31 4.92 -0.71 -0.60 -4.96 117.98 117.43 1jvo s PHE 97 Ca 0.03 -1.10 -0.23 0.00 -1.04 0.00 0.00 56.93 54.60 1jvo s PHE 97 Cb -0.08 -0.78 -0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1jvo s PHE 97 CO 0.00 -0.28 0.75 -0.51 -1.34 0.00 0.00 175.22 173.85 1jvo s ASP 98 N -3.24 6.62 0.55 1.98 1.11 -1.26 -0.51 116.67 121.92 1jvo s ASP 98 Ca 0.31 0.59 0.36 0.00 0.18 0.00 0.00 52.55 53.98 1jvo s ASP 98 Cb 0.07 -2.39 1.52 0.00 1.07 0.00 0.00 42.92 43.19 1jvo s ASP 98 CO 0.09 -0.59 1.78 0.58 1.18 0.00 0.00 175.17 178.21 1jvo h VAL 99 N 5.59 0.37 -0.87 -1.27 2.07 -1.20 0.12 116.25 121.06 1jvo h VAL 99 Ca -0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1jvo h VAL 99 Cb 1.10 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1jvo h VAL 99 CO 0.87 0.00 0.52 0.77 0.02 0.00 0.00 177.57 179.74 1jvo h SER 100 N 0.00 0.76 -0.74 0.57 4.64 -1.89 -0.47 113.55 116.41 1jvo h SER 100 Ca 0.54 0.04 0.22 0.00 -0.47 0.00 0.00 61.79 62.12 1jvo h SER 100 Cb 2.24 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 64.19 1jvo h SER 100 CO -0.01 0.43 0.64 0.11 -0.87 0.00 0.00 176.83 177.14 1jvo h LYS 101 N 0.87 0.00 -6.77 4.77 1.57 -1.15 -3.39 116.57 112.47 1jvo h LYS 101 Ca 0.41 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.71 1jvo h LYS 101 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1jvo h LYS 101 CO -0.24 0.00 0.19 -0.51 -0.57 0.00 0.00 179.45 178.32 1jvo s LEU 102 N -7.83 4.16 -0.23 2.94 1.43 -0.19 -5.05 118.68 113.91 1jvo s LEU 102 Ca -0.04 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1jvo s LEU 102 Cb 0.18 -4.02 0.06 0.00 0.03 0.00 0.00 46.19 42.45 1jvo s LEU 102 CO 0.65 -0.15 -0.01 -1.59 0.23 0.00 0.00 176.35 175.48 1jvo s LYS 103 N -2.59 1.24 0.21 1.70 -2.85 -1.26 -5.03 119.74 111.17 1jvo s LYS 103 Ca 0.52 -0.83 -0.27 0.00 -1.00 0.00 0.00 55.97 54.39 1jvo s LYS 103 Cb -0.13 -2.41 -0.16 0.00 -2.06 0.00 0.00 37.83 33.07 1jvo s LYS 103 CO 0.18 -0.65 0.47 -1.91 0.10 0.00 0.00 175.35 173.54 1jvo n GLU 104 N 4.80 0.00 0.00 1.78 2.13 -1.26 -2.65 120.64 125.43 1jvo n GLU 104 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1jvo n GLU 104 Cb 0.45 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 31.19 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 1.97 3.03 3.89 8.31 0.00 -1.26 -5.06 105.19 116.07 1jvo n GLY 105 Ca 0.17 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 3.46 -0.09 1.61 2.12 -1.09 -5.06 118.70 119.66 1jvo s GLU 106 Ca 0.00 0.47 -0.19 0.00 0.36 0.00 0.00 54.97 55.61 1jvo s GLU 106 Cb 0.00 -2.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 1jvo s GLU 106 CO 0.00 -0.49 0.50 -0.65 -0.54 0.00 0.00 175.26 174.09 1jvo s GLN 107 N -5.02 4.32 -0.05 4.30 -0.21 -1.26 -4.88 119.66 116.86 1jvo s GLN 107 Ca 0.52 0.51 0.05 0.00 0.02 0.00 0.00 55.36 56.47 1jvo s GLN 107 Cb -0.11 -3.41 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 1jvo s GLN 107 CO 0.50 0.21 -0.21 0.71 -2.12 0.00 0.00 175.29 174.37 1jvo s TYR 108 N 0.44 2.07 -0.03 0.91 2.02 -1.25 -2.35 117.35 119.17 1jvo s TYR 108 Ca 0.27 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 1jvo s TYR 108 Cb -0.16 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 1jvo s TYR 108 CO 0.12 -0.19 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.07 1jvo s MET 109 N -0.07 1.80 0.14 -0.62 -1.94 0.51 -0.96 119.30 118.16 1jvo s MET 109 Ca -0.04 -0.71 0.11 0.00 -1.71 0.00 0.00 55.69 53.35 1jvo s MET 109 Cb -0.13 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1jvo s MET 109 CO 0.03 0.36 -0.25 -0.59 -0.01 0.00 0.00 175.02 174.56 1jvo s PHE 110 N -0.26 2.35 0.04 -0.03 -0.12 -0.61 -1.76 117.98 117.59 1jvo s PHE 110 Ca 0.02 -0.36 -0.28 0.00 -0.05 0.00 0.00 56.93 56.26 1jvo s PHE 110 Cb -0.10 -1.25 0.10 0.00 -0.63 0.00 0.00 43.02 41.14 1jvo s PHE 110 CO 0.01 0.37 1.18 -0.59 -0.05 0.00 0.00 175.22 176.14 1jvo s PHE 111 N -1.17 -0.06 -0.09 3.49 -0.71 -0.56 -0.68 117.98 118.20 1jvo s PHE 111 Ca 0.16 -0.11 -0.11 0.00 -1.04 0.00 0.00 56.93 55.83 1jvo s PHE 111 Cb -0.10 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 1jvo s PHE 111 CO 0.07 -0.47 0.25 0.00 -1.34 0.00 0.00 175.22 173.74 1jvo n THR 113 N 2.24 1.57 -2.49 0.00 -2.24 -1.26 -3.64 114.28 108.46 1jvo n THR 113 Ca -0.17 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.21 1jvo n THR 113 Cb 0.53 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.83 3.52 -0.43 4.78 2.19 -1.26 -4.45 117.98 120.50 1jvo s PHE 114 Ca 0.43 1.46 -0.41 0.00 0.33 0.00 0.00 56.93 58.74 1jvo s PHE 114 Cb 0.28 -3.33 -0.17 0.00 -1.31 0.00 0.00 43.02 38.48 1jvo s PHE 114 CO 0.20 -0.89 1.39 -2.30 1.83 0.00 0.00 175.22 175.45 1jvo n PRO 115 N 3.29 0.00 0.00 10.12 -0.02 -1.26 -1.03 135.00 146.10 1jvo n PRO 115 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1jvo n PRO 115 Cb 0.47 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 3.45 2.78 0.09 -1.23 0.00 -1.26 -4.89 105.19 104.13 1jvo n GLY 116 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 0.21 -0.33 1.61 3.86 -1.37 -3.29 115.15 115.84 1jvo h HIS 117 Ca 0.00 -0.14 0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1jvo h HIS 117 Cb 0.00 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1jvo h HIS 117 CO 0.00 1.06 0.29 0.66 0.86 0.00 0.00 177.93 180.80 1jvo h SER 118 N 0.05 0.00 -0.98 2.45 4.64 -1.73 0.56 113.55 118.55 1jvo h SER 118 Ca -0.05 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.45 1jvo h SER 118 Cb 1.74 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.73 1jvo h SER 118 CO 0.15 0.00 0.57 0.00 -0.87 0.00 0.00 176.83 176.69 1jvo h ALA 119 N 1.73 1.60 0.00 5.18 0.00 -1.93 -3.23 119.26 122.62 1jvo h ALA 119 Ca 0.16 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1jvo h ALA 119 Cb 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1jvo h ALA 119 CO -0.00 -0.07 -1.61 1.28 0.00 0.00 0.00 179.25 178.85 1jvo n LEU 120 N -4.80 1.39 -4.42 0.00 4.77 -0.38 -4.91 117.00 108.66 1jvo n LEU 120 Ca 0.22 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.73 1jvo n LEU 120 Cb 0.56 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1jvo n LEU 120 CO 0.21 0.43 0.77 -0.04 -1.33 0.00 0.00 177.39 177.43 1jvo s MET 121 N -2.21 3.45 -0.04 3.23 -1.94 0.18 -4.80 119.30 117.17 1jvo s MET 121 Ca -0.09 -1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 51.90 1jvo s MET 121 Cb 0.03 -4.65 0.11 0.00 2.01 0.00 0.00 34.83 32.33 1jvo s MET 121 CO 0.31 -1.66 0.95 -1.59 -0.01 0.00 0.00 175.02 173.01 1jvo s LYS 122 N 2.45 0.72 0.22 2.03 0.00 -1.26 -2.79 119.74 121.11 1jvo s LYS 122 Ca 0.26 -0.24 -0.16 0.00 0.00 0.00 0.00 55.97 55.82 1jvo s LYS 122 Cb -0.10 0.33 0.06 0.00 0.00 0.00 0.00 37.83 38.12 1jvo s LYS 122 CO -0.04 -0.31 0.80 0.41 0.00 0.00 0.00 175.35 176.20 1jvo n GLY 123 N -0.16 0.87 3.67 0.59 0.00 0.15 -4.78 105.19 105.52 1jvo n GLY 123 Ca -0.07 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.18 4.12 -0.20 2.61 -4.23 0.11 -1.57 115.64 114.31 1jvo s THR 124 Ca 0.17 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1jvo s THR 124 Cb -0.03 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 71.05 1jvo s THR 124 CO 0.07 0.48 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.24 1jvo s LEU 125 N -1.24 2.41 -0.02 4.79 0.20 -0.13 0.93 118.68 125.62 1jvo s LEU 125 Ca 0.17 -0.74 0.03 0.00 0.69 0.00 0.00 54.13 54.28 1jvo s LEU 125 Cb -0.11 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 1jvo s LEU 125 CO 0.06 -0.03 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.11 1jvo s THR 126 N 1.28 3.45 -0.69 3.68 2.01 0.19 -3.75 115.64 121.82 1jvo s THR 126 Ca 0.03 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 1jvo s THR 126 Cb -0.14 -2.45 0.18 0.00 0.01 0.00 0.00 72.50 70.10 1jvo s THR 126 CO -0.11 0.48 0.61 -0.22 -0.69 0.00 0.00 174.62 174.69 1jvo s LEU 127 N -1.14 6.28 0.00 4.42 1.98 -1.26 0.87 118.68 129.83 1jvo s LEU 127 Ca 0.15 -2.42 0.16 0.00 -2.89 0.00 0.00 54.13 49.13 1jvo s LEU 127 Cb -0.11 -2.13 0.13 0.00 0.66 0.00 0.00 46.19 44.73 1jvo s LEU 127 CO 0.04 -0.62 1.01 2.29 -1.89 0.00 0.00 176.35 177.18