#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 3.45 -0.99 0.00 2.12 -1.26 -4.55 118.70 117.47 1jvo s GLU 2 Ca 0.00 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1jvo s GLU 2 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1jvo s GLU 2 CO 0.00 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.59 1jvo s SER 4 N -2.53 -0.51 -0.02 0.00 1.04 -1.26 -1.74 113.70 108.68 1jvo s SER 4 Ca 0.00 0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 1jvo s SER 4 Cb 0.00 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1jvo s SER 4 CO 0.00 -0.52 0.16 0.54 0.98 0.00 0.00 173.24 174.40 1jvo s VAL 5 N -1.45 0.05 -0.24 5.02 0.11 -0.41 -3.60 120.40 119.88 1jvo s VAL 5 Ca -0.05 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1jvo s VAL 5 Cb -0.00 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1jvo s VAL 5 CO 0.04 -0.25 0.05 -1.81 -3.33 0.00 0.00 175.10 169.80 1jvo s ASP 6 N -0.88 5.01 0.10 3.54 1.11 -1.26 -1.52 116.67 122.78 1jvo s ASP 6 Ca -0.10 -0.23 0.08 0.00 0.18 0.00 0.00 52.55 52.49 1jvo s ASP 6 Cb -0.05 -1.90 -0.03 0.00 1.07 0.00 0.00 42.92 42.01 1jvo s ASP 6 CO 0.01 -0.03 -0.21 -0.51 1.18 0.00 0.00 175.17 175.61 1jvo s ILE 7 N 1.57 1.75 0.06 0.77 2.07 -0.09 -4.98 121.20 122.35 1jvo s ILE 7 Ca 0.06 -1.54 0.06 0.00 -1.41 0.00 0.00 60.65 57.82 1jvo s ILE 7 Cb -0.15 -1.58 -0.03 0.00 0.13 0.00 0.00 42.46 40.83 1jvo s ILE 7 CO 0.03 -0.03 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.77 1jvo s GLN 8 N -1.87 0.95 -0.14 3.50 -0.21 -1.26 -1.93 119.66 118.70 1jvo s GLN 8 Ca 0.07 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.54 1jvo s GLN 8 Cb -0.10 -1.01 0.03 0.00 1.00 0.00 0.00 33.01 32.93 1jvo s GLN 8 CO 0.04 0.24 -0.10 0.20 -2.12 0.00 0.00 175.29 173.55 1jvo s GLY 9 N -1.50 1.02 0.34 3.09 0.00 -0.94 -1.75 107.32 107.58 1jvo s GLY 9 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 43.98 1jvo s GLY 9 CO 0.02 0.70 0.43 1.16 0.00 0.00 0.00 173.10 175.41 1jvo n ASN 10 N 4.84 1.41 0.05 1.64 0.23 -0.97 -3.87 115.26 118.59 1jvo n ASN 10 Ca -0.15 -1.96 0.10 0.00 -0.53 0.00 0.00 54.58 52.05 1jvo n ASN 10 Cb 0.49 -0.21 0.41 0.00 -2.08 0.00 0.00 39.78 38.40 1jvo n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jvo n ASP 11 N -2.46 0.27 -0.35 0.53 8.00 -1.26 -2.40 116.55 118.87 1jvo n ASP 11 Ca 0.08 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.20 1jvo n ASP 11 Cb 0.36 -0.62 0.27 0.00 -0.02 0.00 0.00 41.12 41.12 1jvo n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jvo n GLN 12 N -1.78 1.45 -3.22 -1.24 3.00 -1.26 -4.91 117.38 109.41 1jvo n GLN 12 Ca 0.04 -0.69 -0.16 0.00 -0.01 0.00 0.00 57.00 56.18 1jvo n GLN 12 Cb 0.23 -1.26 0.07 0.00 0.00 0.00 0.00 30.24 29.28 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 -0.02 -5.63 -3.99 -1.09 0.00 -1.01 -5.04 117.12 100.34 1jvo n MET 13 Ca 0.11 0.66 -0.09 0.00 -0.00 0.00 0.00 57.70 58.38 1jvo n MET 13 Cb 0.20 -5.13 -0.11 0.00 0.00 0.00 0.00 33.22 28.18 1jvo n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1jvo s GLN 14 N -5.48 0.34 0.29 2.12 -0.21 -1.26 -4.42 119.66 111.04 1jvo s GLN 14 Ca 0.20 -0.66 -0.05 0.00 0.02 0.00 0.00 55.36 54.87 1jvo s GLN 14 Cb -0.09 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 1jvo s GLN 14 CO 0.57 -0.06 0.55 -0.06 -2.12 0.00 0.00 175.29 174.17 1jvo s PHE 15 N -1.67 3.48 -0.31 0.91 0.08 -1.25 -2.29 117.98 116.93 1jvo s PHE 15 Ca -0.14 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.54 1jvo s PHE 15 Cb -0.08 -2.09 0.37 0.00 -0.57 0.00 0.00 43.02 40.65 1jvo s PHE 15 CO -0.02 0.18 1.67 0.27 -0.10 0.00 0.00 175.22 177.23 1jvo n ASN 16 N -0.95 4.27 0.00 1.36 6.94 -0.72 -4.83 115.26 121.35 1jvo n ASN 16 Ca -0.02 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1jvo n ASN 16 Cb 0.54 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 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 -0.37 0.00 -1.05 5.53 5.66 -1.26 -4.91 114.28 117.88 1jvo n THR 17 Ca 0.37 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.47 1jvo n THR 17 Cb 1.06 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 70.00 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 2.60 -3.69 1.09 0.23 -1.26 -4.85 115.26 109.38 1jvo n ASN 18 Ca 0.00 -3.07 -0.10 0.00 -0.53 0.00 0.00 54.58 50.88 1jvo n ASN 18 Cb 0.00 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.15 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 -2.86 -1.14 -0.05 -2.53 0.00 -1.26 -0.69 121.76 113.24 1jvo s ALA 19 Ca 0.33 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1jvo s ALA 19 Cb 0.29 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1jvo s ALA 19 CO 0.04 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 175.81 1jvo s ILE 20 N 1.36 1.16 -0.21 0.00 1.01 0.19 -4.95 121.20 119.76 1jvo s ILE 20 Ca -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1jvo s ILE 20 Cb -0.08 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 1jvo s ILE 20 CO -0.13 0.35 -0.07 -0.89 0.00 0.00 0.00 174.94 174.20 1jvo s THR 21 N 0.29 3.13 -0.28 2.92 2.01 -1.26 0.06 115.64 122.52 1jvo s THR 21 Ca -0.07 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1jvo s THR 21 Cb -0.12 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1jvo s THR 21 CO 0.02 0.45 0.17 -0.69 -0.69 0.00 0.00 174.62 173.88 1jvo s VAL 22 N 1.44 5.15 0.08 3.82 1.01 0.15 -4.96 120.40 127.08 1jvo s VAL 22 Ca 0.06 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1jvo s VAL 22 Cb -0.14 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1jvo s VAL 22 CO -0.05 0.26 1.41 -0.62 0.00 0.00 0.00 175.10 176.10 1jvo s ASP 23 N 1.74 6.82 0.60 3.32 -1.08 -1.26 -2.13 116.67 124.69 1jvo s ASP 23 Ca 0.07 2.26 0.34 0.00 -0.52 0.00 0.00 52.55 54.70 1jvo s ASP 23 Cb -0.16 -2.58 1.93 0.00 -1.46 0.00 0.00 42.92 40.66 1jvo s ASP 23 CO 0.10 -0.68 2.26 0.11 0.52 0.00 0.00 175.17 177.47 1jvo h LYS 24 N 7.23 0.00 0.00 4.34 1.57 -1.52 -1.04 116.57 127.16 1jvo h LYS 24 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1jvo h LYS 24 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1jvo h LYS 24 CO 0.88 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.44 1jvo h SER 25 N 0.00 0.00 -3.66 0.86 4.64 -1.90 -3.43 113.55 110.06 1jvo h SER 25 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1jvo h SER 25 Cb 0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1jvo h SER 25 CO 0.00 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 176.43 1jvo h LYS 27 N 4.59 0.41 -4.15 0.00 6.56 -1.88 -3.42 116.57 118.68 1jvo h LYS 27 Ca -0.45 -0.56 -0.13 0.00 -1.06 0.00 0.00 60.65 58.45 1jvo h LYS 27 Cb 1.21 0.19 -0.17 0.00 -0.57 0.00 0.00 32.23 32.89 1jvo h LYS 27 CO 0.70 1.23 -0.67 1.14 -2.06 0.00 0.00 179.45 179.78 1jvo s GLN 28 N -2.81 0.54 0.14 3.15 -2.07 -1.26 -0.58 119.66 116.76 1jvo s GLN 28 Ca -0.13 -1.04 0.10 0.00 -1.82 0.00 0.00 55.36 52.47 1jvo s GLN 28 Cb 0.03 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1jvo s GLN 28 CO 0.85 -0.10 -0.19 0.12 -1.32 0.00 0.00 175.29 174.65 1jvo s PHE 29 N -3.23 2.48 -0.07 9.60 5.99 0.51 -4.80 117.98 128.46 1jvo s PHE 29 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 56.93 56.67 1jvo s PHE 29 Cb 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 43.02 41.77 1jvo s PHE 29 CO -0.07 0.41 -0.14 0.99 -0.00 0.00 0.00 175.22 176.41 1jvo s THR 30 N -1.28 1.26 -0.19 0.12 2.01 -0.71 -1.26 115.64 115.58 1jvo s THR 30 Ca 0.19 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1jvo s THR 30 Cb -0.10 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 1jvo s THR 30 CO 0.10 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.62 1jvo s VAL 31 N 0.66 2.93 -0.37 3.82 1.01 -0.63 -1.29 120.40 126.54 1jvo s VAL 31 Ca -0.14 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1jvo s VAL 31 Cb -0.16 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1jvo s VAL 31 CO 0.04 0.47 0.20 0.20 0.00 0.00 0.00 175.10 176.01 1jvo s ASN 32 N 1.22 5.69 -0.11 3.32 0.01 -0.57 -2.01 114.94 122.50 1jvo s ASN 32 Ca 0.02 -0.99 -0.12 0.00 -0.71 0.00 0.00 52.86 51.06 1jvo s ASN 32 Cb -0.14 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 1jvo s ASN 32 CO -0.04 -0.37 0.28 -0.22 -1.51 0.00 0.00 177.10 175.24 1jvo s LEU 33 N 1.54 4.34 0.02 0.60 2.96 0.53 -0.92 118.68 127.75 1jvo s LEU 33 Ca 0.02 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1jvo s LEU 33 Cb -0.19 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 1jvo s LEU 33 CO 0.06 0.24 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.36 1jvo s SER 34 N -0.34 0.28 -0.53 3.68 1.04 -0.81 -1.73 113.70 115.28 1jvo s SER 34 Ca 0.18 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1jvo s SER 34 Cb -0.14 0.06 0.14 0.00 0.10 0.00 0.00 66.02 66.18 1jvo s SER 34 CO 0.06 -0.19 0.31 -2.28 0.98 0.00 0.00 173.24 172.13 1jvo s HIS 35 N -1.00 3.40 -1.52 5.02 2.46 -1.15 -2.21 115.29 120.28 1jvo s HIS 35 Ca -0.10 -2.85 0.00 0.00 0.47 0.00 0.00 55.06 52.57 1jvo s HIS 35 Cb -0.07 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.33 1jvo s HIS 35 CO -0.01 -0.84 0.70 -0.35 -2.47 0.00 0.00 174.74 171.78 1jvo n PRO 36 N 3.58 0.92 -0.04 2.88 -0.04 -1.25 -0.40 135.00 140.65 1jvo n PRO 36 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1jvo n PRO 36 Cb 0.37 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.24 -0.49 0.00 0.55 0.00 -1.26 -4.88 105.19 99.35 1jvo n GLY 37 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.90 3.18 -4.76 1.61 5.03 -1.26 -4.02 115.26 114.14 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 0.48 -0.04 0.00 -1.02 0.00 0.00 39.78 39.20 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 -2.41 4.53 0.61 3.41 1.43 -1.26 -4.77 118.68 120.22 1jvo s LEU 39 Ca 0.00 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 55.28 1jvo s LEU 39 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1jvo s LEU 39 CO 0.00 -0.21 1.12 -2.16 0.23 0.00 0.00 176.35 175.32 1jvo s PRO 40 N -1.49 3.03 0.40 1.29 0.04 -1.26 -2.05 135.00 134.96 1jvo s PRO 40 Ca 0.45 1.48 0.32 0.00 0.04 0.00 0.00 61.00 63.29 1jvo s PRO 40 Cb -0.33 -1.97 1.33 0.00 0.04 0.00 0.00 34.50 33.56 1jvo s PRO 40 CO 0.43 -1.08 1.32 1.17 0.04 0.00 0.00 177.00 178.88 1jvo n LYS 41 N -1.97 -0.02 -0.13 4.56 4.81 -1.26 -0.71 118.16 123.44 1jvo n LYS 41 Ca 0.11 1.02 -0.04 0.00 -0.87 0.00 0.00 58.31 58.53 1jvo n LYS 41 Cb 0.52 -2.11 0.03 0.00 0.02 0.00 0.00 35.03 33.49 1jvo n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jvo n VAL 43 N -5.25 1.14 -2.21 0.00 0.31 0.12 -4.73 118.33 107.71 1jvo n VAL 43 Ca 0.03 -0.55 -0.04 0.00 -0.01 0.00 0.00 64.34 63.77 1jvo n VAL 43 Cb 0.23 -0.94 0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1jvo n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1jvo n MET 44 N -2.88 1.79 -2.30 5.55 0.00 -0.89 -5.04 117.12 113.35 1jvo n MET 44 Ca -0.32 -3.28 -0.40 0.00 -0.00 0.00 0.00 57.70 53.71 1jvo n MET 44 Cb 0.95 -1.41 -0.03 0.00 0.00 0.00 0.00 33.22 32.73 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 -3.18 2.96 0.21 -5.12 0.00 -0.71 -4.83 107.32 96.67 1jvo s GLY 45 Ca 0.38 1.03 0.06 0.00 0.00 0.00 0.00 44.72 46.19 1jvo s GLY 45 CO -0.06 1.61 -0.09 0.30 0.00 0.00 0.00 173.10 174.86 1jvo s HIS 46 N -1.26 1.64 0.22 1.90 3.76 -0.54 -4.66 115.29 116.35 1jvo s HIS 46 Ca 0.51 -0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 54.60 1jvo s HIS 46 Cb -0.34 -0.85 -0.00 0.00 1.11 0.00 0.00 32.58 32.50 1jvo s HIS 46 CO 0.43 0.21 0.42 0.54 -0.85 0.00 0.00 174.74 175.50 1jvo s ASN 47 N -3.31 -0.07 -0.20 1.40 2.20 -1.26 0.60 114.94 114.31 1jvo s ASN 47 Ca 0.24 -0.90 0.01 0.00 -0.94 0.00 0.00 52.86 51.27 1jvo s ASN 47 Cb 0.02 0.54 0.04 0.00 -2.00 0.00 0.00 41.25 39.85 1jvo s ASN 47 CO 0.07 -1.06 -0.11 0.86 -2.94 0.00 0.00 177.10 173.91 1jvo s TRP 48 N -4.00 2.47 -0.09 1.54 -0.00 -1.26 -3.94 118.94 113.65 1jvo s TRP 48 Ca 0.21 -1.60 0.03 0.00 -0.00 0.00 0.00 56.10 54.74 1jvo s TRP 48 Cb 0.01 -1.67 0.01 0.00 -0.00 0.00 0.00 33.47 31.81 1jvo s TRP 48 CO 0.06 -0.75 -0.17 0.08 -0.00 0.00 0.00 176.95 176.17 1jvo s VAL 49 N 1.38 1.58 -0.07 5.86 1.01 -0.40 -1.42 120.40 128.34 1jvo s VAL 49 Ca -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1jvo s VAL 49 Cb -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1jvo s VAL 49 CO -0.09 0.46 0.02 -0.22 0.00 0.00 0.00 175.10 175.27 1jvo s LEU 50 N 0.68 3.66 0.12 3.92 2.96 -0.60 -1.79 118.68 127.63 1jvo s LEU 50 Ca -0.13 0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 53.68 1jvo s LEU 50 Cb -0.16 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.72 1jvo s LEU 50 CO 0.03 0.36 1.07 -0.94 -1.32 0.00 0.00 176.35 175.55 1jvo s SER 51 N -1.03 -0.09 0.43 3.68 1.04 -0.67 -1.51 113.70 115.54 1jvo s SER 51 Ca 0.15 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 1jvo s SER 51 Cb -0.11 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.33 1jvo s SER 51 CO 0.04 -0.77 1.10 0.42 0.98 0.00 0.00 173.24 175.02 1jvo s THR 52 N -2.74 3.45 0.33 2.02 -4.23 -1.26 -0.05 115.64 113.15 1jvo s THR 52 Ca 0.16 1.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.87 1jvo s THR 52 Cb -0.00 -3.56 0.33 0.00 1.34 0.00 0.00 72.50 70.60 1jvo s THR 52 CO 0.02 -0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.84 1jvo h ALA 53 N 2.29 1.86 -0.45 3.99 0.00 -1.70 0.10 119.26 125.35 1jvo h ALA 53 Ca -0.49 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1jvo h ALA 53 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jvo h ALA 53 CO 0.61 -0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.74 1jvo h ALA 54 N 1.69 1.44 0.00 0.00 0.00 -1.91 -3.14 119.26 117.35 1jvo h ALA 54 Ca 0.62 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 1jvo h ALA 54 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jvo h ALA 54 CO -0.41 0.42 -0.79 -0.44 0.00 0.00 0.00 179.25 178.03 1jvo h ASP 55 N 0.64 0.00 -0.95 0.00 3.32 -1.17 -3.41 116.42 114.86 1jvo h ASP 55 Ca 0.15 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.29 1jvo h ASP 55 Cb 0.16 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.59 1jvo h ASP 55 CO -0.01 0.34 -0.56 0.80 -1.72 0.00 0.00 179.24 178.08 1jvo n MET 56 N -2.99 -0.42 -0.31 3.56 0.00 -0.95 -0.86 117.12 115.15 1jvo n MET 56 Ca -0.01 1.48 0.13 0.00 -0.00 0.00 0.00 57.70 59.29 1jvo n MET 56 Cb 0.69 -2.18 0.31 0.00 0.00 0.00 0.00 33.22 32.04 1jvo n MET 56 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1jvo h GLN 57 N 0.00 0.48 0.12 2.12 5.75 -1.79 0.89 115.11 122.69 1jvo h GLN 57 Ca 0.15 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1jvo h GLN 57 Cb 0.39 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1jvo h GLN 57 CO -0.89 0.32 -0.06 0.78 -2.65 0.00 0.00 178.83 176.33 1jvo h GLY 58 N 0.50 -0.17 0.82 2.39 0.00 -1.27 -1.34 103.07 104.00 1jvo h GLY 58 Ca 0.56 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.97 1jvo h GLY 58 CO -0.48 -0.06 -0.03 -2.08 0.00 0.00 0.00 176.54 173.90 1jvo h VAL 59 N -0.31 0.91 -0.47 4.60 2.07 -0.35 -1.61 116.25 121.08 1jvo h VAL 59 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1jvo h VAL 59 Cb 0.26 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1jvo h VAL 59 CO 0.03 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.39 1jvo h VAL 60 N -0.01 0.89 -0.69 2.57 2.07 -0.85 0.31 116.25 120.54 1jvo h VAL 60 Ca 0.04 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1jvo h VAL 60 Cb 0.07 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1jvo h VAL 60 CO -0.09 0.07 0.24 0.74 0.02 0.00 0.00 177.57 178.55 1jvo h THR 61 N 0.39 1.25 0.08 2.57 2.02 -0.99 -2.18 112.91 116.05 1jvo h THR 61 Ca 0.21 -0.84 -0.25 0.00 0.77 0.00 0.00 66.41 66.30 1jvo h THR 61 Cb 0.18 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1jvo h THR 61 CO -0.19 0.33 -1.13 0.44 0.37 0.00 0.00 175.52 175.33 1jvo h ASP 62 N 1.00 0.40 -0.57 4.18 3.32 -1.09 -3.20 116.42 120.45 1jvo h ASP 62 Ca 0.23 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1jvo h ASP 62 Cb 0.27 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1jvo h ASP 62 CO -0.01 1.27 0.31 1.23 -1.72 0.00 0.00 179.24 180.32 1jvo h GLY 63 N 1.63 0.89 1.31 2.75 0.00 -0.31 -1.01 103.07 108.34 1jvo h GLY 63 Ca -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1jvo h GLY 63 CO 0.18 0.38 0.01 1.98 0.00 0.00 0.00 176.54 179.10 1jvo h MET 64 N 0.84 0.84 -0.01 4.80 1.85 -1.43 -2.78 114.93 119.03 1jvo h MET 64 Ca 0.21 -0.23 -0.16 0.00 -0.61 0.00 0.00 59.70 58.92 1jvo h MET 64 Cb 0.05 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1jvo h MET 64 CO -0.03 0.83 -0.73 0.00 -0.40 0.00 0.00 176.91 176.58 1jvo h ALA 65 N 1.23 0.76 -0.22 0.39 0.00 -1.34 -3.18 119.26 116.89 1jvo h ALA 65 Ca 0.15 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1jvo h ALA 65 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jvo h ALA 65 CO 0.02 0.88 0.16 0.77 0.00 0.00 0.00 179.25 181.08 1jvo h SER 66 N 0.05 0.02 -4.45 0.00 0.02 -0.92 -3.48 113.55 104.78 1jvo h SER 66 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jvo h SER 66 Cb 1.29 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1jvo h SER 66 CO 0.10 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 1jvo n GLY 67 N -1.58 -0.44 0.31 -3.77 0.00 -1.20 -4.22 105.19 94.29 1jvo n GLY 67 Ca 0.02 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 0.17 -1.28 0.99 5.85 -1.90 -1.43 115.31 117.70 1jvo h LEU 68 Ca 0.00 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1jvo h LEU 68 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1jvo h LEU 68 CO 0.00 0.12 -0.17 0.44 -0.34 0.00 0.00 178.44 178.49 1jvo h ASP 69 N 0.20 0.27 -0.37 1.25 3.32 -2.01 -2.36 116.42 116.72 1jvo h ASP 69 Ca 0.13 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jvo h ASP 69 Cb 0.28 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1jvo h ASP 69 CO -0.02 0.46 0.00 0.29 -1.72 0.00 0.00 179.24 178.25 1jvo n LYS 70 N -4.23 2.27 -2.01 3.56 4.76 -0.69 -4.88 118.16 116.95 1jvo n LYS 70 Ca -0.01 -1.49 -0.20 0.00 -2.87 0.00 0.00 58.31 53.75 1jvo n LYS 70 Cb 0.31 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.55 -5.50 -3.81 4.39 9.92 -0.89 -2.27 116.55 118.94 1jvo n ASP 71 Ca 0.14 0.21 -0.28 0.00 -0.53 0.00 0.00 54.79 54.32 1jvo n ASP 71 Cb 0.46 -4.62 0.04 0.00 -0.64 0.00 0.00 41.12 36.37 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 -2.45 -3.73 1.24 4.01 -0.63 -4.76 117.16 107.54 1jvo n TYR 72 Ca -0.22 0.94 -0.18 0.00 -0.16 0.00 0.00 57.90 58.28 1jvo n TYR 72 Cb 0.66 -4.32 -0.17 0.00 -0.31 0.00 0.00 39.34 35.20 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 -7.24 0.61 0.26 7.72 1.43 -0.96 -4.16 118.68 116.33 1jvo s LEU 73 Ca 0.59 0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 1jvo s LEU 73 Cb -0.29 -0.12 -0.12 0.00 0.03 0.00 0.00 46.19 45.69 1jvo s LEU 73 CO 0.80 -0.19 1.65 1.17 0.23 0.00 0.00 176.35 180.01 1jvo n LYS 74 N 4.75 2.73 -1.69 1.70 4.81 -1.26 -4.86 118.16 124.34 1jvo n LYS 74 Ca -0.15 0.98 -0.44 0.00 -0.87 0.00 0.00 58.31 57.82 1jvo n LYS 74 Cb 0.50 -2.79 -0.04 0.00 0.02 0.00 0.00 35.03 32.73 1jvo n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1jvo n PRO 75 N 2.92 2.49 -3.74 1.64 -0.02 -1.26 -2.49 135.00 134.54 1jvo n PRO 75 Ca 0.12 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.24 1jvo n PRO 75 Cb 0.36 -2.73 0.05 0.00 -0.02 0.00 0.00 33.50 31.17 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 4.23 -5.01 -4.65 2.55 8.00 -1.26 -4.91 116.55 115.50 1jvo n ASP 76 Ca 0.17 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.57 1jvo n ASP 76 Cb 0.32 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 36.95 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 -3.46 6.62 0.57 -2.24 -1.08 -1.04 -4.86 116.67 111.18 1jvo s ASP 77 Ca 0.54 1.98 0.35 0.00 -0.52 0.00 0.00 52.55 54.90 1jvo s ASP 77 Cb -0.26 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.31 1jvo s ASP 77 CO 0.78 -1.00 2.09 0.77 0.52 0.00 0.00 175.17 178.33 1jvo h SER 78 N 9.71 0.00 1.17 -0.34 4.64 -1.92 -2.61 113.55 124.20 1jvo h SER 78 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1jvo h SER 78 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jvo h SER 78 CO 0.97 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.50 1jvo n ARG 79 N -3.16 0.24 -2.96 4.77 1.74 -1.26 -4.67 116.66 111.36 1jvo n ARG 79 Ca -0.01 0.31 -0.43 0.00 -0.77 0.00 0.00 57.85 56.95 1jvo n ARG 79 Cb 0.24 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.20 4.66 0.19 1.55 1.01 -0.99 -4.55 120.40 119.08 1jvo s VAL 80 Ca 0.08 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1jvo s VAL 80 Cb 0.11 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1jvo s VAL 80 CO 0.51 -0.66 1.58 0.40 0.00 0.00 0.00 175.10 176.93 1jvo h ILE 81 N 5.94 1.27 -1.98 2.22 2.04 -1.54 -3.47 117.51 121.99 1jvo h ILE 81 Ca -0.25 -1.42 0.14 0.00 1.00 0.00 0.00 64.86 64.34 1jvo h ILE 81 Cb 1.09 1.26 -0.17 0.00 -0.74 0.00 0.00 36.82 38.26 1jvo h ILE 81 CO 0.95 0.47 0.59 0.00 0.00 0.00 0.00 178.15 180.16 1jvo s ALA 82 N -4.54 -1.90 -0.00 1.87 0.00 -1.25 -5.02 121.76 110.92 1jvo s ALA 82 Ca -0.10 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.82 1jvo s ALA 82 Cb 0.12 0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.48 1jvo s ALA 82 CO 0.85 -0.62 0.84 -3.38 0.00 0.00 0.00 175.76 173.46 1jvo s HIS 83 N -2.70 -0.40 0.39 0.00 -3.43 -1.26 -1.56 115.29 106.33 1jvo s HIS 83 Ca 0.05 0.36 0.06 0.00 -0.80 0.00 0.00 55.06 54.73 1jvo s HIS 83 Cb -0.01 0.52 0.06 0.00 -1.43 0.00 0.00 32.58 31.72 1jvo s HIS 83 CO -0.07 -0.57 0.53 0.25 -2.00 0.00 0.00 174.74 172.88 1jvo n THR 84 N -0.04 0.00 -2.25 -5.38 -2.24 -0.50 -4.79 114.28 99.07 1jvo n THR 84 Ca -0.11 -1.32 -0.27 0.00 -2.27 0.00 0.00 64.05 60.08 1jvo n THR 84 Cb 0.61 -0.64 0.15 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.77 1.09 -0.41 -0.78 1.02 -1.26 -4.57 119.74 111.06 1jvo s LYS 85 Ca 0.40 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 55.41 1jvo s LYS 85 Cb -0.03 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1jvo s LYS 85 CO 0.26 -1.99 0.64 -1.17 -0.92 0.00 0.00 175.35 172.17 1jvo s LEU 86 N -5.54 4.40 0.15 3.17 2.96 -1.26 -4.32 118.68 118.24 1jvo s LEU 86 Ca 0.71 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1jvo s LEU 86 Cb -0.04 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1jvo s LEU 86 CO 0.49 -0.71 0.14 0.27 -1.32 0.00 0.00 176.35 175.22 1jvo s ILE 87 N 2.78 4.56 0.00 6.68 -4.36 0.20 -4.85 121.20 126.21 1jvo s ILE 87 Ca 0.23 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1jvo s ILE 87 Cb -0.14 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.26 1jvo s ILE 87 CO 0.18 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1jvo n GLY 88 N -0.27 3.42 3.61 6.27 0.00 -1.26 -1.47 105.19 115.50 1jvo n GLY 88 Ca -0.08 -2.17 -0.48 0.00 0.00 0.00 0.00 46.02 43.29 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 1.95 0.00 1.61 2.88 -0.87 -1.95 113.62 115.54 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 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 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 2.25 1.94 3.58 0.46 0.00 0.46 -4.96 105.19 108.92 1jvo n GLY 90 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.53 0.09 1.61 2.02 -0.82 -4.82 118.70 115.25 1jvo s GLU 91 Ca 0.00 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 54.55 1jvo s GLU 91 Cb 0.00 -1.57 0.07 0.00 0.10 0.00 0.00 34.13 32.73 1jvo s GLU 91 CO 0.00 -3.89 0.64 0.21 0.02 0.00 0.00 175.26 172.23 1jvo s LYS 92 N -5.50 1.19 -0.13 1.61 2.47 -1.26 -2.94 119.74 115.19 1jvo s LYS 92 Ca 0.72 -0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.57 1jvo s LYS 92 Cb -0.08 0.55 0.12 0.00 -1.46 0.00 0.00 37.83 36.97 1jvo s LYS 92 CO 0.56 -0.48 1.00 0.34 0.16 0.00 0.00 175.35 176.92 1jvo s ASP 93 N -2.29 -0.33 0.14 1.43 2.15 -0.71 -5.03 116.67 112.03 1jvo s ASP 93 Ca -0.02 0.25 0.02 0.00 0.43 0.00 0.00 52.55 53.22 1jvo s ASP 93 Cb -0.01 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.87 1jvo s ASP 93 CO -0.06 -0.39 -0.03 -0.44 -0.17 0.00 0.00 175.17 174.07 1jvo s SER 94 N -1.56 1.19 -0.13 -0.34 0.01 -1.26 -0.35 113.70 111.25 1jvo s SER 94 Ca 0.01 -1.09 -0.09 0.00 1.31 0.00 0.00 55.95 56.09 1jvo s SER 94 Cb -0.01 0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.37 1jvo s SER 94 CO -0.02 -0.51 0.33 0.54 0.41 0.00 0.00 173.24 173.99 1jvo s VAL 95 N -3.64 -0.02 -0.02 3.43 0.11 -0.85 -4.87 120.40 114.54 1jvo s VAL 95 Ca 0.18 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1jvo s VAL 95 Cb 0.06 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1jvo s VAL 95 CO -0.00 0.03 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.71 1jvo s THR 96 N 0.89 2.57 0.05 5.04 2.01 -1.26 -1.60 115.64 123.34 1jvo s THR 96 Ca -0.06 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1jvo s THR 96 Cb -0.07 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1jvo s THR 96 CO -0.07 0.54 0.00 0.72 -0.69 0.00 0.00 174.62 175.12 1jvo s PHE 97 N -0.72 0.40 -0.32 4.92 -0.71 -0.39 -4.96 117.98 116.20 1jvo s PHE 97 Ca 0.11 -0.86 -0.29 0.00 -1.04 0.00 0.00 56.93 54.86 1jvo s PHE 97 Cb -0.10 -0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1jvo s PHE 97 CO 0.01 -0.36 1.16 -0.51 -1.34 0.00 0.00 175.22 174.18 1jvo s ASP 98 N -2.55 6.83 0.58 1.98 1.11 -1.26 -0.36 116.67 123.00 1jvo s ASP 98 Ca 0.01 1.09 0.33 0.00 0.18 0.00 0.00 52.55 54.16 1jvo s ASP 98 Cb 0.03 -2.54 1.37 0.00 1.07 0.00 0.00 42.92 42.85 1jvo s ASP 98 CO -0.08 -0.96 1.66 0.58 1.18 0.00 0.00 175.17 177.55 1jvo h VAL 99 N 5.83 0.23 -0.94 -1.27 2.07 -1.10 0.25 116.25 121.32 1jvo h VAL 99 Ca -0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1jvo h VAL 99 Cb 1.07 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1jvo h VAL 99 CO 1.04 0.00 0.60 0.77 0.02 0.00 0.00 177.57 180.00 1jvo h SER 100 N 0.00 0.86 -0.36 0.57 4.64 -1.88 -1.05 113.55 116.33 1jvo h SER 100 Ca 0.47 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.93 1jvo h SER 100 Cb 2.27 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 64.20 1jvo h SER 100 CO -0.00 0.49 0.31 0.11 -0.87 0.00 0.00 176.83 176.86 1jvo h LYS 101 N 0.94 0.00 -6.68 4.77 1.57 -0.87 -3.40 116.57 112.90 1jvo h LYS 101 Ca 0.45 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.72 1jvo h LYS 101 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1jvo h LYS 101 CO -0.21 0.00 0.20 -0.51 -0.57 0.00 0.00 179.45 178.37 1jvo s LEU 102 N -8.14 4.38 -0.23 2.94 1.43 -0.40 -5.06 118.68 113.60 1jvo s LEU 102 Ca -0.05 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1jvo s LEU 102 Cb 0.17 -3.70 0.06 0.00 0.03 0.00 0.00 46.19 42.75 1jvo s LEU 102 CO 0.63 0.02 -0.05 -1.59 0.23 0.00 0.00 176.35 175.59 1jvo s LYS 103 N -1.89 1.59 0.28 1.70 -2.85 -1.26 -5.02 119.74 112.28 1jvo s LYS 103 Ca 0.45 -0.96 -0.23 0.00 -1.00 0.00 0.00 55.97 54.22 1jvo s LYS 103 Cb -0.18 -2.56 -0.15 0.00 -2.06 0.00 0.00 37.83 32.87 1jvo s LYS 103 CO 0.23 -0.60 0.30 -1.91 0.10 0.00 0.00 175.35 173.47 1jvo n GLU 104 N 4.69 0.00 0.00 1.78 2.13 -1.26 -2.59 120.64 125.39 1jvo n GLU 104 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1jvo n GLU 104 Cb 0.44 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.21 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 2.02 2.91 3.90 8.31 0.00 -1.26 -5.05 105.19 116.03 1jvo n GLY 105 Ca 0.14 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 3.60 -0.11 1.61 2.12 -1.07 -5.07 118.70 119.78 1jvo s GLU 106 Ca 0.00 0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.27 1jvo s GLU 106 Cb 0.00 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 1jvo s GLU 106 CO 0.00 -0.06 0.62 -0.65 -0.54 0.00 0.00 175.26 174.63 1jvo s GLN 107 N -4.33 4.36 -0.05 4.30 -0.21 -1.26 -4.89 119.66 117.58 1jvo s GLN 107 Ca 0.47 0.70 0.06 0.00 0.02 0.00 0.00 55.36 56.61 1jvo s GLN 107 Cb -0.10 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 1jvo s GLN 107 CO 0.39 0.02 -0.24 0.71 -2.12 0.00 0.00 175.29 174.04 1jvo s TYR 108 N 1.02 2.43 -0.05 0.91 2.02 -1.25 -1.93 117.35 120.52 1jvo s TYR 108 Ca 0.32 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.47 1jvo s TYR 108 Cb -0.16 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1jvo s TYR 108 CO 0.14 -0.15 -0.23 -1.64 -1.57 0.00 0.00 175.55 172.10 1jvo s MET 109 N -0.31 2.26 0.15 -0.62 -1.94 0.92 -0.59 119.30 119.18 1jvo s MET 109 Ca 0.01 -0.83 0.09 0.00 -1.71 0.00 0.00 55.69 53.25 1jvo s MET 109 Cb -0.13 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 1jvo s MET 109 CO 0.02 0.37 -0.14 -0.59 -0.01 0.00 0.00 175.02 174.67 1jvo s PHE 110 N -0.18 2.57 0.07 -0.03 -0.12 0.08 -1.68 117.98 118.68 1jvo s PHE 110 Ca -0.01 -0.25 -0.27 0.00 -0.05 0.00 0.00 56.93 56.34 1jvo s PHE 110 Cb -0.12 -1.30 0.09 0.00 -0.63 0.00 0.00 43.02 41.06 1jvo s PHE 110 CO 0.03 0.46 1.15 -0.59 -0.05 0.00 0.00 175.22 176.21 1jvo s PHE 111 N -1.46 -0.05 -0.13 3.49 -0.71 -0.74 -0.38 117.98 118.00 1jvo s PHE 111 Ca 0.22 -0.16 -0.06 0.00 -1.04 0.00 0.00 56.93 55.89 1jvo s PHE 111 Cb -0.09 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1jvo s PHE 111 CO 0.13 -0.54 0.09 0.00 -1.34 0.00 0.00 175.22 173.55 1jvo n THR 113 N 2.47 0.50 -1.89 0.00 -2.24 -1.26 -3.59 114.28 108.26 1jvo n THR 113 Ca -0.19 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 1jvo n THR 113 Cb 0.54 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1jvo n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jvo s PHE 114 N -1.50 2.91 -0.49 4.78 2.19 -1.26 -4.49 117.98 120.11 1jvo s PHE 114 Ca 0.37 0.85 -0.46 0.00 0.33 0.00 0.00 56.93 58.02 1jvo s PHE 114 Cb 0.20 -3.95 -0.19 0.00 -1.31 0.00 0.00 43.02 37.77 1jvo s PHE 114 CO 0.28 -3.20 1.62 -2.30 1.83 0.00 0.00 175.22 173.45 1jvo n PRO 115 N 2.50 0.00 0.00 10.12 -0.02 -1.26 -0.98 135.00 145.36 1jvo n PRO 115 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1jvo n PRO 115 Cb 0.39 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1jvo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jvo n GLY 116 N 4.27 2.72 0.29 -1.23 0.00 -1.26 -4.88 105.19 105.10 1jvo n GLY 116 Ca 0.33 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 0.36 -0.02 1.61 3.86 -1.35 -2.67 115.15 116.93 1jvo h HIS 117 Ca 0.00 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1jvo h HIS 117 Cb 0.00 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1jvo h HIS 117 CO 0.00 0.24 0.20 0.66 0.86 0.00 0.00 177.93 179.88 1jvo h SER 118 N 0.38 0.00 -0.61 2.45 4.64 -1.72 0.45 113.55 119.14 1jvo h SER 118 Ca 0.10 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.50 1jvo h SER 118 Cb -0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.00 1jvo h SER 118 CO -0.02 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 176.22 1jvo h ALA 119 N 1.63 0.81 0.00 5.18 0.00 -1.83 -3.28 119.26 121.76 1jvo h ALA 119 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1jvo h ALA 119 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jvo h ALA 119 CO -0.00 -0.11 -1.52 1.28 0.00 0.00 0.00 179.25 178.90 1jvo n LEU 120 N -4.92 0.00 -4.39 0.00 4.77 -0.29 -4.88 117.00 107.29 1jvo n LEU 120 Ca 0.08 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.61 1jvo n LEU 120 Cb 0.23 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1jvo n LEU 120 CO 0.25 0.11 0.77 -0.04 -1.33 0.00 0.00 177.39 177.15 1jvo s MET 121 N -2.44 3.71 -0.04 3.23 -1.94 0.14 -4.76 119.30 117.20 1jvo s MET 121 Ca -0.04 -2.28 -0.29 0.00 -1.71 0.00 0.00 55.69 51.37 1jvo s MET 121 Cb 0.04 -4.69 0.10 0.00 2.01 0.00 0.00 34.83 32.29 1jvo s MET 121 CO 0.38 -1.52 0.83 -1.59 -0.01 0.00 0.00 175.02 173.11 1jvo s LYS 122 N 1.12 0.88 0.36 2.03 0.00 -1.26 -2.56 119.74 120.31 1jvo s LYS 122 Ca 0.27 -0.05 -0.13 0.00 0.00 0.00 0.00 55.97 56.07 1jvo s LYS 122 Cb -0.07 0.41 0.04 0.00 0.00 0.00 0.00 37.83 38.21 1jvo s LYS 122 CO -0.08 -0.33 0.70 0.20 0.00 0.00 0.00 175.35 175.84 1jvo s GLY 123 N -1.77 0.63 0.00 0.59 0.00 0.48 -4.78 107.32 102.47 1jvo s GLY 123 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1jvo s GLY 123 CO -0.01 -0.48 -0.03 -0.51 0.00 0.00 0.00 173.10 172.07 1jvo s THR 124 N -2.64 3.93 -0.20 0.90 -4.23 0.13 -0.74 115.64 112.79 1jvo s THR 124 Ca 0.19 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 1jvo s THR 124 Cb -0.04 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1jvo s THR 124 CO 0.13 0.38 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.20 1jvo s LEU 125 N -1.51 2.42 -0.05 4.79 0.20 0.24 -0.63 118.68 124.14 1jvo s LEU 125 Ca 0.18 -0.79 0.01 0.00 0.69 0.00 0.00 54.13 54.22 1jvo s LEU 125 Cb -0.11 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 1jvo s LEU 125 CO 0.09 -0.04 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.16 1jvo s THR 126 N 1.26 3.79 -0.59 3.68 2.01 0.11 -3.77 115.64 122.13 1jvo s THR 126 Ca 0.02 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 1jvo s THR 126 Cb -0.14 -2.58 0.15 0.00 0.01 0.00 0.00 72.50 69.93 1jvo s THR 126 CO -0.11 0.54 0.51 -0.22 -0.69 0.00 0.00 174.62 174.66 1jvo s LEU 127 N -0.99 6.13 0.00 4.42 1.98 -1.26 0.30 118.68 129.26 1jvo s LEU 127 Ca 0.14 -2.08 0.11 0.00 -2.89 0.00 0.00 54.13 49.41 1jvo s LEU 127 Cb -0.11 -2.14 0.09 0.00 0.66 0.00 0.00 46.19 44.69 1jvo s LEU 127 CO 0.03 -0.73 0.86 2.29 -1.89 0.00 0.00 176.35 176.91