#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr7 s SER 3 N 0.00 -0.32 0.29 4.39 1.04 -1.26 -0.79 113.70 117.04 1vr7 s SER 3 Ca 0.00 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1vr7 s SER 3 Cb 0.00 0.56 0.41 0.00 0.10 0.00 0.00 66.02 67.09 1vr7 s SER 3 CO 0.00 -0.99 1.94 -0.07 0.98 0.00 0.00 173.24 175.10 1vr7 h LEU 4 N 2.19 0.96 -8.35 2.42 3.38 -0.49 -3.46 115.31 111.96 1vr7 h LEU 4 Ca -0.31 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 1vr7 h LEU 4 Cb 1.27 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1vr7 h LEU 4 CO 0.40 0.72 -0.31 -0.83 0.09 0.00 0.00 178.44 178.51 1vr7 s GLY 5 N -3.31 0.85 -0.07 0.83 0.00 -0.44 -3.49 107.32 101.68 1vr7 s GLY 5 Ca -0.12 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.48 1vr7 s GLY 5 CO 0.80 -0.92 -0.23 0.50 0.00 0.00 0.00 173.10 173.25 1vr7 s ARG 6 N -4.06 2.61 -0.13 2.90 0.52 0.15 -1.49 118.95 119.43 1vr7 s ARG 6 Ca 0.28 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1vr7 s ARG 6 Cb 0.02 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.42 1vr7 s ARG 6 CO 0.09 0.28 0.02 -1.58 0.02 0.00 0.00 175.30 174.13 1vr7 s HIS 7 N 0.07 0.87 -0.22 -0.53 2.46 -0.05 -1.04 115.29 116.85 1vr7 s HIS 7 Ca -0.09 -0.53 -0.17 0.00 0.47 0.00 0.00 55.06 54.74 1vr7 s HIS 7 Cb -0.15 -0.93 -0.03 0.00 -0.13 0.00 0.00 32.58 31.33 1vr7 s HIS 7 CO 0.05 -0.48 0.45 -0.51 -2.47 0.00 0.00 174.74 171.79 1vr7 s LEU 8 N 1.91 4.11 -0.33 8.88 1.43 -0.03 -0.49 118.68 134.17 1vr7 s LEU 8 Ca 0.02 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1vr7 s LEU 8 Cb -0.15 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1vr7 s LEU 8 CO -0.07 -0.17 0.11 -0.69 0.23 0.00 0.00 176.35 175.77 1vr7 s VAL 9 N 1.72 4.00 -0.05 -1.59 1.01 -0.24 -0.91 120.40 124.34 1vr7 s VAL 9 Ca 0.20 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1vr7 s VAL 9 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1vr7 s VAL 9 CO 0.09 -0.08 -0.22 0.00 0.00 0.00 0.00 175.10 174.89 1vr7 s ALA 10 N 1.47 1.92 -0.27 5.51 0.00 0.34 -1.43 121.76 129.30 1vr7 s ALA 10 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1vr7 s ALA 10 Cb -0.18 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1vr7 s ALA 10 CO 0.03 0.36 0.09 -1.21 0.00 0.00 0.00 175.76 175.04 1vr7 s GLU 11 N -0.08 3.56 -0.21 0.00 0.41 0.12 -1.24 118.70 121.26 1vr7 s GLU 11 Ca -0.04 -0.55 -0.03 0.00 -0.41 0.00 0.00 54.97 53.94 1vr7 s GLU 11 Cb -0.13 -3.40 -0.01 0.00 -1.78 0.00 0.00 34.13 28.81 1vr7 s GLU 11 CO 0.03 -0.26 -0.05 -0.06 -0.49 0.00 0.00 175.26 174.44 1vr7 s PHE 12 N 1.61 2.95 0.15 1.61 2.99 -0.42 -1.42 117.98 125.45 1vr7 s PHE 12 Ca 0.06 -0.87 0.09 0.00 0.00 0.00 0.00 56.93 56.21 1vr7 s PHE 12 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 43.02 40.75 1vr7 s PHE 12 CO 0.04 -0.48 -0.14 0.71 -0.00 0.00 0.00 175.22 175.35 1vr7 s TYR 13 N 1.30 2.57 -1.28 0.36 2.02 0.09 -1.24 117.35 121.18 1vr7 s TYR 13 Ca 0.04 -0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1vr7 s TYR 13 Cb -0.14 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1vr7 s TYR 13 CO -0.02 0.46 0.79 0.39 -1.57 0.00 0.00 175.55 175.60 1vr7 n GLU 14 N 0.39 -5.40 -2.23 -0.62 1.02 -0.68 -1.93 120.64 111.18 1vr7 n GLU 14 Ca -0.13 0.68 -0.26 0.00 -0.02 0.00 0.00 57.16 57.44 1vr7 n GLU 14 Cb 0.54 -5.37 0.07 0.00 -0.02 0.00 0.00 31.44 26.65 1vr7 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vr7 s ASP 16 N -4.50 6.44 0.37 0.00 -1.08 0.15 -4.80 116.67 113.25 1vr7 s ASP 16 Ca 0.60 1.55 0.18 0.00 -0.52 0.00 0.00 52.55 54.36 1vr7 s ASP 16 Cb -0.11 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.50 1vr7 s ASP 16 CO 0.44 -1.22 1.74 0.03 0.52 0.00 0.00 175.17 176.69 1vr7 h ARG 17 N 10.42 0.00 -0.25 4.34 3.08 -1.90 -1.51 114.38 128.56 1vr7 h ARG 17 Ca -0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1vr7 h ARG 17 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1vr7 h ARG 17 CO 1.01 0.39 0.00 0.93 -1.07 0.00 0.00 179.97 181.23 1vr7 h GLU 18 N 0.00 0.44 -0.73 0.04 5.08 -1.93 -2.46 114.58 115.01 1vr7 h GLU 18 Ca -0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1vr7 h GLU 18 Cb 0.88 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1vr7 h GLU 18 CO 0.05 0.61 0.48 0.28 -1.00 0.00 0.00 179.01 179.43 1vr7 h VAL 19 N 0.22 1.16 0.00 3.13 2.07 -1.85 -2.15 116.25 118.83 1vr7 h VAL 19 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1vr7 h VAL 19 Cb 0.41 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1vr7 h VAL 19 CO 0.01 0.18 -0.03 -0.07 0.02 0.00 0.00 177.57 177.68 1vr7 h LEU 20 N 0.96 0.00 -2.95 2.57 3.38 -1.14 -1.86 115.31 116.26 1vr7 h LEU 20 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1vr7 h LEU 20 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1vr7 h LEU 20 CO -0.07 0.03 0.00 -0.67 0.09 0.00 0.00 178.44 177.82 1vr7 n ASP 21 N -4.00 4.35 -4.23 -0.43 2.03 -0.83 -3.97 116.55 109.46 1vr7 n ASP 21 Ca -0.03 -2.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.63 1vr7 n ASP 21 Cb 0.12 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 39.92 1vr7 n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vr7 s ASN 22 N -0.96 5.93 0.28 1.67 3.84 -0.70 -4.84 114.94 120.15 1vr7 s ASN 22 Ca 0.50 -2.20 -0.02 0.00 0.21 0.00 0.00 52.86 51.34 1vr7 s ASN 22 Cb 0.29 -2.06 0.38 0.00 -0.55 0.00 0.00 41.25 39.31 1vr7 s ASN 22 CO 0.29 -0.65 1.87 1.62 -2.79 0.00 0.00 177.10 177.44 1vr7 h VAL 23 N 5.68 1.22 -0.28 -5.21 3.04 -1.88 -0.78 116.25 118.05 1vr7 h VAL 23 Ca -0.13 -0.67 -0.08 0.00 -1.01 0.00 0.00 66.70 64.82 1vr7 h VAL 23 Cb 1.05 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1vr7 h VAL 23 CO 0.85 0.27 -0.13 1.56 -1.01 0.00 0.00 177.57 179.11 1vr7 h GLN 24 N 0.96 0.58 -0.53 4.17 7.50 -1.96 -2.27 115.11 123.55 1vr7 h GLN 24 Ca 0.23 -0.25 -0.10 0.00 0.50 0.00 0.00 58.65 59.03 1vr7 h GLN 24 Cb 0.14 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 1vr7 h GLN 24 CO -0.03 0.82 -0.07 1.25 -1.50 0.00 0.00 178.83 179.30 1vr7 h LEU 25 N 0.32 0.98 -0.76 1.46 5.85 -1.84 -1.58 115.31 119.75 1vr7 h LEU 25 Ca 0.06 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1vr7 h LEU 25 Cb 0.64 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1vr7 h LEU 25 CO 0.04 1.09 0.43 0.40 -0.34 0.00 0.00 178.44 180.06 1vr7 h ILE 26 N 0.86 1.22 -0.64 4.05 1.08 -1.14 0.14 117.51 123.08 1vr7 h ILE 26 Ca 0.14 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1vr7 h ILE 26 Cb 0.63 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1vr7 h ILE 26 CO 0.04 0.24 0.18 -0.08 -0.69 0.00 0.00 178.15 177.84 1vr7 h GLU 27 N 1.04 1.00 -0.40 2.37 4.81 -1.15 -2.69 114.58 119.57 1vr7 h GLU 27 Ca 0.27 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1vr7 h GLU 27 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1vr7 h GLU 27 CO -0.05 0.89 0.26 1.96 -0.73 0.00 0.00 179.01 181.35 1vr7 h GLN 28 N 0.93 0.51 -1.62 1.92 4.20 -0.76 -1.63 115.11 118.66 1vr7 h GLN 28 Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1vr7 h GLN 28 Cb 0.32 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1vr7 h GLN 28 CO -0.00 0.34 0.00 0.39 -0.67 0.00 0.00 178.83 178.89 1vr7 n GLU 29 N -4.82 0.50 0.00 1.46 -0.58 0.43 -1.58 120.64 116.05 1vr7 n GLU 29 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1vr7 n GLU 29 Cb 0.03 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1vr7 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1vr7 n LYS 31 N 1.00 0.00 -0.12 3.49 5.02 -0.61 -0.25 118.16 126.68 1vr7 n LYS 31 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1vr7 n LYS 31 Cb 0.25 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.29 1vr7 n LYS 31 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1vr7 h GLN 32 N 0.00 0.90 -0.45 1.97 5.75 -1.56 -0.73 115.11 120.99 1vr7 h GLN 32 Ca 0.00 -0.40 0.06 0.00 -0.15 0.00 0.00 58.65 58.16 1vr7 h GLN 32 Cb 0.00 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 1vr7 h GLN 32 CO 0.00 1.06 0.15 0.00 -2.65 0.00 0.00 178.83 177.38 1vr7 h ALA 33 N 0.92 0.53 -0.59 3.38 0.00 -0.89 0.90 119.26 123.51 1vr7 h ALA 33 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1vr7 h ALA 33 Cb 0.83 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1vr7 h ALA 33 CO 0.07 -0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.41 1vr7 h ALA 34 N 1.30 0.77 -0.40 0.00 0.00 -1.76 -2.32 119.26 116.86 1vr7 h ALA 34 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1vr7 h ALA 34 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1vr7 h ALA 34 CO -0.23 0.02 0.25 -0.92 0.00 0.00 0.00 179.25 178.38 1vr7 h TYR 35 N 0.64 0.47 -0.61 0.00 3.20 -0.40 -2.62 116.97 117.66 1vr7 h TYR 35 Ca 0.25 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.17 1vr7 h TYR 35 Cb 0.11 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1vr7 h TYR 35 CO -0.08 0.29 0.40 0.93 -1.64 0.00 0.00 178.16 178.06 1vr7 h GLU 36 N 0.51 0.68 0.00 1.82 4.39 -0.39 -1.75 114.58 119.84 1vr7 h GLU 36 Ca 0.15 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1vr7 h GLU 36 Cb -0.03 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1vr7 h GLU 36 CO -0.05 0.45 -0.06 0.66 -1.16 0.00 0.00 179.01 178.85 1vr7 h SER 37 N 0.70 0.00 0.00 1.42 4.64 -1.08 -3.45 113.55 115.79 1vr7 h SER 37 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1vr7 h SER 37 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1vr7 h SER 37 CO -0.07 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1vr7 n GLY 38 N 0.29 0.38 3.85 -0.77 0.00 -0.66 -1.19 105.19 107.10 1vr7 n GLY 38 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1vr7 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr7 s ALA 39 N -2.03 2.96 -0.19 4.61 0.00 -1.04 -4.84 121.76 121.23 1vr7 s ALA 39 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 1vr7 s ALA 39 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1vr7 s ALA 39 CO 0.00 -0.88 0.04 0.99 0.00 0.00 0.00 175.76 175.91 1vr7 s THR 40 N -3.15 4.48 -0.14 0.00 2.01 -1.26 -4.57 115.64 113.01 1vr7 s THR 40 Ca 0.56 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 1vr7 s THR 40 Cb -0.12 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1vr7 s THR 40 CO 0.54 0.45 0.66 -0.63 -0.69 0.00 0.00 174.62 174.95 1vr7 s ILE 41 N 0.60 5.03 -0.20 1.82 1.01 -1.26 -3.35 121.20 124.85 1vr7 s ILE 41 Ca 0.02 1.30 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 1vr7 s ILE 41 Cb -0.13 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.16 1vr7 s ILE 41 CO 0.02 0.17 0.23 0.58 0.00 0.00 0.00 174.94 175.94 1vr7 h VAL 42 N 4.98 0.90 -3.22 2.92 2.07 -0.92 -3.49 116.25 119.49 1vr7 h VAL 42 Ca -0.36 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 1vr7 h VAL 42 Cb 1.16 2.25 -0.11 0.00 -1.52 0.00 0.00 31.29 33.07 1vr7 h VAL 42 CO 0.77 0.35 0.07 0.28 0.02 0.00 0.00 177.57 179.07 1vr7 s THR 43 N -2.38 0.03 -0.03 2.57 -1.32 -1.12 -5.02 115.64 108.37 1vr7 s THR 43 Ca -0.28 -0.54 -0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1vr7 s THR 43 Cb 0.06 -1.36 0.01 0.00 -1.51 0.00 0.00 72.50 69.69 1vr7 s THR 43 CO 0.61 -0.12 0.17 -0.55 -2.21 0.00 0.00 174.62 172.52 1vr7 s SER 44 N -2.83 -0.07 -0.16 8.08 0.15 -1.26 -0.91 113.70 116.70 1vr7 s SER 44 Ca 0.06 0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.68 1vr7 s SER 44 Cb -0.01 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1vr7 s SER 44 CO -0.07 -0.26 0.35 0.28 1.20 0.00 0.00 173.24 174.75 1vr7 s THR 45 N -0.81 -0.43 -0.02 6.45 -1.32 -0.29 -5.01 115.64 114.21 1vr7 s THR 45 Ca -0.09 0.19 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 1vr7 s THR 45 Cb -0.05 -0.56 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1vr7 s THR 45 CO 0.01 0.08 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.96 1vr7 s PHE 46 N 2.25 1.70 0.02 9.09 0.08 -1.26 -1.35 117.98 128.51 1vr7 s PHE 46 Ca -0.03 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1vr7 s PHE 46 Cb -0.11 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 1vr7 s PHE 46 CO -0.11 -0.07 -0.04 -1.01 -0.10 0.00 0.00 175.22 173.88 1vr7 s HIS 47 N -0.30 0.38 -0.25 0.36 3.76 0.03 -5.00 115.29 114.28 1vr7 s HIS 47 Ca 0.04 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.45 1vr7 s HIS 47 Cb -0.09 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 1vr7 s HIS 47 CO 0.00 -0.07 0.68 0.50 -0.85 0.00 0.00 174.74 175.01 1vr7 s ARG 48 N -0.80 4.13 0.34 1.40 6.06 -1.26 -1.11 118.95 127.71 1vr7 s ARG 48 Ca -0.06 0.65 -0.08 0.00 -2.50 0.00 0.00 55.73 53.75 1vr7 s ARG 48 Cb -0.06 -3.65 -0.06 0.00 0.06 0.00 0.00 34.95 31.25 1vr7 s ARG 48 CO -0.00 -0.43 0.65 0.12 -2.50 0.00 0.00 175.30 173.14 1vr7 s PHE 49 N 2.56 3.47 -0.03 5.12 2.19 0.31 -4.97 117.98 126.63 1vr7 s PHE 49 Ca 0.29 0.85 0.07 0.00 0.33 0.00 0.00 56.93 58.46 1vr7 s PHE 49 Cb -0.15 -2.27 -0.02 0.00 -1.31 0.00 0.00 43.02 39.26 1vr7 s PHE 49 CO 0.08 0.05 -0.23 -0.51 1.83 0.00 0.00 175.22 176.45 1vr7 s LEU 50 N -3.62 2.23 0.23 6.12 1.43 -1.26 -3.22 118.68 120.58 1vr7 s LEU 50 Ca 0.48 -0.40 0.12 0.00 -1.03 0.00 0.00 54.13 53.30 1vr7 s LEU 50 Cb -0.11 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1vr7 s LEU 50 CO 0.30 0.32 1.41 1.55 0.23 0.00 0.00 176.35 180.15 1vr7 h PRO 51 N 5.48 0.00 -4.70 1.29 0.13 -2.05 -3.49 132.00 128.66 1vr7 h PRO 51 Ca -0.43 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.39 1vr7 h PRO 51 Cb 1.13 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.04 1vr7 h PRO 51 CO 0.48 0.68 -0.74 0.71 -0.23 0.00 0.00 178.00 178.90 1vr7 s TYR 52 N -2.92 0.77 0.00 1.56 2.02 -1.20 -5.13 117.35 112.45 1vr7 s TYR 52 Ca 0.03 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1vr7 s TYR 52 Cb 0.09 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 41.19 1vr7 s TYR 52 CO 0.77 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 175.11 1vr7 n GLY 53 N 1.53 3.89 3.15 0.71 0.00 -1.24 -4.59 105.19 108.64 1vr7 n GLY 53 Ca -0.22 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1vr7 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vr7 s VAL 54 N -1.61 1.51 -0.02 1.61 1.01 -1.25 0.12 120.40 121.76 1vr7 s VAL 54 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1vr7 s VAL 54 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1vr7 s VAL 54 CO 0.00 0.43 -0.16 -0.44 0.00 0.00 0.00 175.10 174.94 1vr7 s SER 55 N -0.02 1.90 -0.03 3.32 0.01 -0.27 -0.49 113.70 118.11 1vr7 s SER 55 Ca -0.03 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.68 1vr7 s SER 55 Cb -0.11 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.83 1vr7 s SER 55 CO 0.02 0.17 0.55 -0.83 0.41 0.00 0.00 173.24 173.56 1vr7 s GLY 56 N -0.19 -0.43 -0.04 3.44 0.00 -0.13 -0.79 107.32 109.18 1vr7 s GLY 56 Ca 0.02 0.95 0.02 0.00 0.00 0.00 0.00 44.72 45.71 1vr7 s GLY 56 CO 0.00 0.64 -0.09 0.14 0.00 0.00 0.00 173.10 173.79 1vr7 s VAL 57 N -1.33 0.84 -0.32 1.40 1.01 -0.46 -1.65 120.40 119.89 1vr7 s VAL 57 Ca -0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1vr7 s VAL 57 Cb -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1vr7 s VAL 57 CO 0.07 0.27 0.06 -0.69 0.00 0.00 0.00 175.10 174.82 1vr7 s VAL 58 N 0.46 3.44 -0.14 2.92 1.01 0.10 -1.13 120.40 127.07 1vr7 s VAL 58 Ca -0.08 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 1vr7 s VAL 58 Cb -0.12 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1vr7 s VAL 58 CO 0.01 -0.14 0.92 -0.69 0.00 0.00 0.00 175.10 175.20 1vr7 s VAL 59 N 1.34 4.83 0.00 2.92 1.01 -0.08 -0.87 120.40 129.55 1vr7 s VAL 59 Ca -0.03 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1vr7 s VAL 59 Cb -0.20 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1vr7 s VAL 59 CO 0.01 0.02 0.00 2.30 0.00 0.00 0.00 175.10 177.43 1vr7 n ILE 60 N 4.63 0.00 -0.23 2.22 -5.35 -0.40 -0.29 119.36 119.93 1vr7 n ILE 60 Ca 0.07 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.58 1vr7 n ILE 60 Cb 0.49 -0.35 0.13 0.00 -1.74 0.00 0.00 39.64 38.17 1vr7 n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1vr7 h SER 61 N 0.00 -0.30 0.00 7.28 0.02 -1.95 -3.25 113.55 115.34 1vr7 h SER 61 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1vr7 h SER 61 Cb 0.00 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1vr7 h SER 61 CO 0.00 -0.14 -0.07 -0.62 -1.14 0.00 0.00 176.83 174.86 1vr7 n GLU 62 N -5.31 0.16 0.00 3.45 1.02 -1.26 -5.09 120.64 113.61 1vr7 n GLU 62 Ca 0.11 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1vr7 n GLU 62 Cb 0.41 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1vr7 n GLU 62 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1vr7 n SER 63 N -0.04 0.30 -3.52 1.62 3.41 -1.23 -4.97 113.62 109.20 1vr7 n SER 63 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1vr7 n SER 63 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1vr7 n SER 63 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1vr7 s HIS 64 N -0.90 -0.39 -0.09 7.33 -3.43 -0.99 -1.28 115.29 115.54 1vr7 s HIS 64 Ca 0.00 0.14 0.04 0.00 -0.80 0.00 0.00 55.06 54.44 1vr7 s HIS 64 Cb 0.00 0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 31.56 1vr7 s HIS 64 CO 0.00 -0.77 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.25 1vr7 s LEU 65 N -2.73 2.29 0.09 5.38 1.43 -0.05 -0.95 118.68 124.13 1vr7 s LEU 65 Ca 0.02 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1vr7 s LEU 65 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1vr7 s LEU 65 CO -0.12 0.21 -0.09 0.42 0.23 0.00 0.00 176.35 177.00 1vr7 s THR 66 N 0.08 0.81 -0.10 5.49 -4.23 0.02 0.00 115.64 117.71 1vr7 s THR 66 Ca -0.09 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1vr7 s THR 66 Cb -0.15 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.40 1vr7 s THR 66 CO 0.06 -0.61 0.25 -0.51 -0.54 0.00 0.00 174.62 173.27 1vr7 s ILE 67 N -2.58 -0.01 -0.08 2.99 2.07 -0.66 -1.45 121.20 121.48 1vr7 s ILE 67 Ca 0.05 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.33 1vr7 s ILE 67 Cb -0.02 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.23 1vr7 s ILE 67 CO -0.01 0.02 -0.03 -1.00 -1.91 0.00 0.00 174.94 172.01 1vr7 s HIS 68 N 0.55 0.88 0.10 3.50 3.76 -0.49 -0.95 115.29 122.65 1vr7 s HIS 68 Ca -0.03 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.63 1vr7 s HIS 68 Cb -0.05 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 1vr7 s HIS 68 CO -0.03 -0.35 -0.07 0.95 -0.85 0.00 0.00 174.74 174.39 1vr7 s THR 69 N 1.71 3.56 -0.56 1.30 -4.23 0.35 -0.95 115.64 116.82 1vr7 s THR 69 Ca 0.02 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1vr7 s THR 69 Cb -0.13 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.20 1vr7 s THR 69 CO -0.05 0.12 0.38 0.26 -0.54 0.00 0.00 174.62 174.79 1vr7 s TRP 70 N -1.24 2.60 0.32 3.99 0.51 0.25 -3.76 118.94 121.61 1vr7 s TRP 70 Ca 0.23 -2.89 0.05 0.00 -2.12 0.00 0.00 56.10 51.37 1vr7 s TRP 70 Cb -0.11 -2.11 0.68 0.00 -0.81 0.00 0.00 33.47 31.12 1vr7 s TRP 70 CO 0.15 -0.68 1.87 -1.35 -0.51 0.00 0.00 176.95 176.43 1vr7 h PRO 71 N 5.83 0.83 0.00 4.98 0.11 -1.85 0.48 132.00 142.37 1vr7 h PRO 71 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1vr7 h PRO 71 Cb 0.84 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1vr7 h PRO 71 CO 0.58 0.55 0.00 1.05 -0.21 0.00 0.00 178.00 179.97 1vr7 h GLU 72 N 0.85 0.00 -0.03 1.05 9.09 -1.94 -2.20 114.58 121.40 1vr7 h GLU 72 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1vr7 h GLU 72 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1vr7 h GLU 72 CO -0.22 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.50 1vr7 n TYR 73 N -2.64 0.04 -1.29 2.06 4.01 0.07 -5.00 117.16 114.41 1vr7 n TYR 73 Ca -0.01 -0.14 -0.10 0.00 -0.16 0.00 0.00 57.90 57.49 1vr7 n TYR 73 Cb 0.12 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 1vr7 n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vr7 n GLY 74 N 0.06 1.12 3.47 2.72 0.00 -0.66 -4.61 105.19 107.29 1vr7 n GLY 74 Ca 0.02 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1vr7 n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vr7 s TYR 75 N -2.28 2.66 -0.02 1.61 5.04 -1.05 -1.16 117.35 122.15 1vr7 s TYR 75 Ca 0.00 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1vr7 s TYR 75 Cb 0.00 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.73 1vr7 s TYR 75 CO 0.00 0.20 -0.07 0.00 -1.34 0.00 0.00 175.55 174.33 1vr7 s ALA 76 N -0.79 0.70 -0.38 3.97 0.00 -0.37 -0.59 121.76 124.30 1vr7 s ALA 76 Ca 0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 1vr7 s ALA 76 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1vr7 s ALA 76 CO 0.02 0.12 0.43 0.00 0.00 0.00 0.00 175.76 176.33 1vr7 s ALA 77 N 0.10 3.46 -0.03 0.00 0.00 -0.13 -1.30 121.76 123.87 1vr7 s ALA 77 Ca -0.01 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.70 1vr7 s ALA 77 Cb -0.06 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1vr7 s ALA 77 CO -0.00 -1.35 -0.24 0.42 0.00 0.00 0.00 175.76 174.59 1vr7 s ILE 78 N 2.16 2.22 -0.06 0.00 1.01 -0.37 -1.39 121.20 124.76 1vr7 s ILE 78 Ca 0.13 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1vr7 s ILE 78 Cb -0.16 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1vr7 s ILE 78 CO 0.13 0.58 -0.11 -1.81 0.00 0.00 0.00 174.94 173.73 1vr7 s ASP 79 N -0.56 1.62 -0.38 3.58 1.01 -0.53 -0.50 116.67 120.90 1vr7 s ASP 79 Ca 0.08 -0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.09 1vr7 s ASP 79 Cb -0.11 -0.75 0.11 0.00 1.01 0.00 0.00 42.92 43.19 1vr7 s ASP 79 CO -0.00 0.01 0.15 -0.76 0.21 0.00 0.00 175.17 174.78 1vr7 s LEU 80 N 0.72 3.16 -0.30 1.23 1.43 -0.08 -0.80 118.68 124.05 1vr7 s LEU 80 Ca -0.14 -2.21 -0.03 0.00 -1.03 0.00 0.00 54.13 50.73 1vr7 s LEU 80 Cb -0.15 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1vr7 s LEU 80 CO 0.03 -0.34 0.01 0.12 0.23 0.00 0.00 176.35 176.40 1vr7 s PHE 81 N 0.86 3.22 0.14 0.29 5.36 -0.13 -0.85 117.98 126.88 1vr7 s PHE 81 Ca 0.13 -1.69 0.09 0.00 -0.96 0.00 0.00 56.93 54.50 1vr7 s PHE 81 Cb -0.21 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1vr7 s PHE 81 CO -0.11 -0.77 -0.20 0.95 -1.46 0.00 0.00 175.22 173.64 1vr7 s THR 82 N 1.30 1.80 0.04 0.12 -4.23 -0.21 -2.35 115.64 112.12 1vr7 s THR 82 Ca -0.03 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1vr7 s THR 82 Cb -0.19 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 1vr7 s THR 82 CO -0.01 -0.21 -0.21 0.00 -0.54 0.00 0.00 174.62 173.66 1vr7 n GLY 84 N 1.88 0.25 0.33 0.00 0.00 -1.23 -4.60 105.19 101.83 1vr7 n GLY 84 Ca -0.17 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.65 1vr7 n GLY 84 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vr7 h GLU 85 N 0.00 0.00 0.00 1.61 4.81 -1.98 -1.57 114.58 117.46 1vr7 h GLU 85 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vr7 h GLU 85 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1vr7 h GLU 85 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 177.88 1vr7 n ASP 86 N -3.92 0.01 -3.98 1.04 5.75 -1.26 -4.80 116.55 109.38 1vr7 n ASP 86 Ca 0.02 0.50 -0.24 0.00 -0.01 0.00 0.00 54.79 55.06 1vr7 n ASP 86 Cb 0.33 -0.50 -0.17 0.00 -1.03 0.00 0.00 41.12 39.75 1vr7 n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1vr7 s VAL 87 N -3.00 1.03 -0.31 2.12 1.01 -0.59 -4.64 120.40 116.02 1vr7 s VAL 87 Ca 0.11 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1vr7 s VAL 87 Cb 0.15 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.64 1vr7 s VAL 87 CO 0.41 0.34 -0.01 -0.62 0.00 0.00 0.00 175.10 175.22 1vr7 s ASP 88 N 0.87 4.59 0.51 3.32 -1.08 -0.33 -4.83 116.67 119.72 1vr7 s ASP 88 Ca -0.11 -1.82 0.29 0.00 -0.52 0.00 0.00 52.55 50.39 1vr7 s ASP 88 Cb -0.15 -1.56 1.32 0.00 -1.46 0.00 0.00 42.92 41.07 1vr7 s ASP 88 CO 0.01 -0.30 1.99 1.55 0.52 0.00 0.00 175.17 178.93 1vr7 h PRO 89 N 7.70 0.00 0.00 4.34 0.13 -1.91 -1.90 132.00 140.36 1vr7 h PRO 89 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 1vr7 h PRO 89 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1vr7 h PRO 89 CO 0.49 0.12 -0.15 -1.49 -0.23 0.00 0.00 178.00 176.74 1vr7 h TRP 90 N 0.00 0.00 -0.17 1.56 4.06 -1.95 -1.65 115.95 117.80 1vr7 h TRP 90 Ca -0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 1vr7 h TRP 90 Cb 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1vr7 h TRP 90 CO 0.00 0.15 -0.40 0.87 -3.56 0.00 0.00 178.44 175.51 1vr7 h LYS 91 N 0.00 0.37 -0.33 0.49 1.57 -1.67 -1.17 116.57 115.84 1vr7 h LYS 91 Ca -0.00 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1vr7 h LYS 91 Cb 0.38 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1vr7 h LYS 91 CO 0.02 0.71 -0.30 0.00 -0.57 0.00 0.00 179.45 179.31 1vr7 h ALA 92 N 1.27 0.48 -0.16 3.86 0.00 -1.47 -2.66 119.26 120.59 1vr7 h ALA 92 Ca 0.03 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1vr7 h ALA 92 Cb 0.84 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1vr7 h ALA 92 CO 0.07 0.52 -0.16 0.35 0.00 0.00 0.00 179.25 180.02 1vr7 h PHE 93 N 0.56 -0.42 -0.45 0.00 3.57 -1.07 -1.13 116.94 118.00 1vr7 h PHE 93 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1vr7 h PHE 93 Cb 0.88 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1vr7 h PHE 93 CO 0.07 -0.24 0.25 1.49 -2.23 0.00 0.00 178.31 177.65 1vr7 h GLU 94 N -0.19 0.63 -0.29 1.11 4.81 -1.16 0.16 114.58 119.64 1vr7 h GLU 94 Ca 0.10 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1vr7 h GLU 94 Cb 0.35 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1vr7 h GLU 94 CO -0.27 0.50 0.13 1.25 -0.73 0.00 0.00 179.01 179.89 1vr7 h HIS 95 N 0.59 0.24 -0.42 0.92 2.76 -1.13 -2.03 115.15 116.09 1vr7 h HIS 95 Ca 0.16 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1vr7 h HIS 95 Cb 0.05 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1vr7 h HIS 95 CO -0.02 0.13 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.48 1vr7 h LEU 96 N 0.28 0.80 -0.54 0.26 3.38 -0.85 0.82 115.31 119.46 1vr7 h LEU 96 Ca 0.12 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1vr7 h LEU 96 Cb 0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1vr7 h LEU 96 CO -0.10 0.97 0.16 0.50 0.09 0.00 0.00 178.44 180.06 1vr7 h LYS 97 N 0.70 0.31 -0.08 1.13 3.11 -0.34 -0.30 116.57 121.10 1vr7 h LYS 97 Ca 0.11 -0.02 -0.21 0.00 -2.81 0.00 0.00 60.65 57.71 1vr7 h LYS 97 Cb 0.69 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1vr7 h LYS 97 CO 0.05 0.20 -0.82 0.87 -2.81 0.00 0.00 179.45 176.94 1vr7 h LYS 98 N 0.32 0.56 -0.20 1.90 1.57 -1.01 -1.74 116.57 117.96 1vr7 h LYS 98 Ca 0.27 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1vr7 h LYS 98 Cb 0.34 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1vr7 h LYS 98 CO -0.31 1.13 -0.28 0.00 -0.57 0.00 0.00 179.45 179.42 1vr7 h ALA 99 N 0.72 1.16 0.00 3.86 0.00 -0.50 -3.20 119.26 121.30 1vr7 h ALA 99 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vr7 h ALA 99 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1vr7 h ALA 99 CO 0.15 0.54 -1.16 1.28 0.00 0.00 0.00 179.25 180.06 1vr7 n LEU 100 N -4.12 0.59 -3.02 0.00 4.32 -0.15 -4.97 117.00 109.65 1vr7 n LEU 100 Ca -0.01 -0.08 -0.21 0.00 -0.02 0.00 0.00 56.01 55.70 1vr7 n LEU 100 Cb 0.41 -0.07 0.06 0.00 -1.62 0.00 0.00 43.42 42.19 1vr7 n LEU 100 CO 0.41 0.06 0.13 0.29 -1.22 0.00 0.00 177.39 177.07 1vr7 n LYS 101 N -1.95 -6.00 -1.95 3.23 5.02 -0.66 -0.68 118.16 115.16 1vr7 n LYS 101 Ca 0.01 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.65 1vr7 n LYS 101 Cb 0.44 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 29.97 1vr7 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vr7 s ALA 102 N -3.21 3.60 -0.71 7.82 0.00 -1.17 -4.23 121.76 123.86 1vr7 s ALA 102 Ca 0.42 1.41 0.23 0.00 0.00 0.00 0.00 51.96 54.02 1vr7 s ALA 102 Cb -0.19 -3.56 0.18 0.00 0.00 0.00 0.00 23.12 19.55 1vr7 s ALA 102 CO 0.52 -0.83 1.15 1.63 0.00 0.00 0.00 175.76 178.24 1vr7 n LYS 103 N 1.41 0.22 -3.70 0.00 5.02 -0.81 -4.89 118.16 115.41 1vr7 n LYS 103 Ca 0.04 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1vr7 n LYS 103 Cb 0.40 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1vr7 n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vr7 s ARG 104 N -3.15 0.47 0.05 1.97 3.52 -1.13 -5.04 118.95 115.64 1vr7 s ARG 104 Ca 0.06 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 1vr7 s ARG 104 Cb 0.15 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1vr7 s ARG 104 CO 0.77 -0.11 -0.08 0.14 -0.81 0.00 0.00 175.30 175.20 1vr7 s VAL 105 N 0.85 0.60 -0.07 7.11 -7.23 -1.26 -0.73 120.40 119.66 1vr7 s VAL 105 Ca -0.05 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1vr7 s VAL 105 Cb -0.06 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.22 1vr7 s VAL 105 CO -0.07 -0.38 -0.09 -2.28 -0.31 0.00 0.00 175.10 171.97 1vr7 s HIS 106 N -1.44 1.30 -0.04 2.82 2.46 -0.51 -5.00 115.29 114.88 1vr7 s HIS 106 Ca -0.09 -0.50 0.02 0.00 0.47 0.00 0.00 55.06 54.96 1vr7 s HIS 106 Cb -0.10 -1.01 0.02 0.00 -0.13 0.00 0.00 32.58 31.35 1vr7 s HIS 106 CO 0.00 -0.31 -0.07 0.08 -2.47 0.00 0.00 174.74 171.97 1vr7 s VAL 107 N 0.96 0.72 -0.08 0.89 1.01 -1.26 -0.71 120.40 121.93 1vr7 s VAL 107 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1vr7 s VAL 107 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1vr7 s VAL 107 CO 0.00 0.25 -0.13 0.68 0.00 0.00 0.00 175.10 175.91 1vr7 s VAL 108 N 0.65 3.14 -0.30 2.92 -7.23 -0.51 -4.97 120.40 114.10 1vr7 s VAL 108 Ca -0.10 -0.67 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 1vr7 s VAL 108 Cb -0.13 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1vr7 s VAL 108 CO 0.01 0.57 0.15 -0.70 -0.31 0.00 0.00 175.10 174.82 1vr7 s GLU 109 N -0.36 3.44 0.05 4.82 2.12 -1.26 -1.07 118.70 126.44 1vr7 s GLU 109 Ca 0.04 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 1vr7 s GLU 109 Cb -0.12 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1vr7 s GLU 109 CO 0.02 -0.36 0.26 -1.01 -0.54 0.00 0.00 175.26 173.63 1vr7 s HIS 110 N 1.63 3.54 -0.03 5.30 3.76 0.36 -4.94 115.29 124.91 1vr7 s HIS 110 Ca 0.05 0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 55.16 1vr7 s HIS 110 Cb -0.17 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 1vr7 s HIS 110 CO 0.06 0.58 0.74 -1.21 -0.85 0.00 0.00 174.74 174.06 1vr7 s GLU 111 N -2.18 4.46 -0.18 1.40 2.02 -1.26 -0.87 118.70 122.09 1vr7 s GLU 111 Ca 0.32 0.98 -0.03 0.00 0.02 0.00 0.00 54.97 56.25 1vr7 s GLU 111 Cb -0.13 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1vr7 s GLU 111 CO 0.21 0.12 -0.05 1.03 0.02 0.00 0.00 175.26 176.60 1vr7 s ARG 112 N 0.56 3.51 -0.47 1.61 1.81 -0.56 -4.72 118.95 120.69 1vr7 s ARG 112 Ca 0.39 -0.58 -0.02 0.00 -1.72 0.00 0.00 55.73 53.80 1vr7 s ARG 112 Cb -0.19 -2.93 -0.02 0.00 -0.45 0.00 0.00 34.95 31.36 1vr7 s ARG 112 CO 0.20 0.04 0.40 0.41 -0.68 0.00 0.00 175.30 175.68 1vr7 n GLY 113 N 4.11 0.06 3.77 -3.53 0.00 -1.26 -1.33 105.19 107.00 1vr7 n GLY 113 Ca -0.18 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1vr7 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr7 n ARG 114 N -2.27 2.70 -0.18 1.61 1.74 -1.26 -0.87 116.66 118.12 1vr7 n ARG 114 Ca -0.07 0.95 0.04 0.00 -0.77 0.00 0.00 57.85 58.01 1vr7 n ARG 114 Cb 0.56 -2.70 0.32 0.00 -1.02 0.00 0.00 32.46 29.62 1vr7 n ARG 114 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1vr7 h TYR 115 N 3.57 0.81 0.00 -1.55 0.05 -1.31 0.15 116.97 118.68 1vr7 h TYR 115 Ca -0.50 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1vr7 h TYR 115 Cb 1.24 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1vr7 h TYR 115 CO 0.55 0.46 0.00 -0.40 -1.05 0.00 0.00 178.16 177.72 1vr7 n ASP 116 N -4.46 0.00 -0.03 3.88 3.85 -1.26 -3.36 116.55 115.17 1vr7 n ASP 116 Ca 0.09 -0.69 0.01 0.00 -0.71 0.00 0.00 54.79 53.49 1vr7 n ASP 116 Cb 0.15 -0.08 -0.09 0.00 -1.35 0.00 0.00 41.12 39.75 1vr7 n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1vr7 n GLU 117 N -1.08 1.15 0.00 0.11 -0.58 -0.00 -5.27 120.64 114.97 1vr7 n GLU 117 Ca 0.20 -0.06 0.13 0.00 -0.42 0.00 0.00 57.16 57.00 1vr7 n GLU 117 Cb 0.14 -1.27 0.21 0.00 -0.57 0.00 0.00 31.44 29.95 1vr7 n GLU 117 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09