#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr4 s ILE 2 N 0.00 4.66 -0.17 2.02 1.01 -1.19 -4.97 121.20 122.55 1vr4 s ILE 2 Ca 0.00 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.50 1vr4 s ILE 2 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1vr4 s ILE 2 CO 0.00 -0.23 0.02 -0.69 0.00 0.00 0.00 174.94 174.04 1vr4 s VAL 3 N 3.25 4.42 -0.08 2.92 1.01 -1.26 -0.32 120.40 130.34 1vr4 s VAL 3 Ca 0.43 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1vr4 s VAL 3 Cb -0.14 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1vr4 s VAL 3 CO 0.08 0.47 0.26 0.28 0.00 0.00 0.00 175.10 176.19 1vr4 s THR 4 N 0.41 0.02 -1.15 3.92 -1.32 -0.64 -4.99 115.64 111.89 1vr4 s THR 4 Ca 0.00 -0.14 0.29 0.00 -1.21 0.00 0.00 61.69 60.64 1vr4 s THR 4 Cb -0.13 -0.42 0.34 0.00 -1.51 0.00 0.00 72.50 70.78 1vr4 s THR 4 CO 0.01 -0.08 1.97 0.35 -2.21 0.00 0.00 174.62 174.66 1vr4 n THR 5 N 2.55 0.02 -2.06 5.08 -2.24 -1.26 -1.67 114.28 114.69 1vr4 n THR 5 Ca -0.15 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1vr4 n THR 5 Cb 0.58 -0.51 0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1vr4 n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vr4 s THR 6 N -2.85 4.09 -0.51 4.28 -4.23 -1.26 -4.09 115.64 111.07 1vr4 s THR 6 Ca 0.19 0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1vr4 s THR 6 Cb 0.19 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.74 1vr4 s THR 6 CO 0.50 -0.80 2.01 -1.20 -0.54 0.00 0.00 174.62 174.60 1vr4 n SER 7 N -2.76 6.99 0.00 3.99 7.64 -1.26 -0.90 113.62 127.33 1vr4 n SER 7 Ca 0.05 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.47 1vr4 n SER 7 Cb 0.56 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1vr4 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vr4 n GLY 8 N -0.39 2.32 3.14 0.23 0.00 -1.26 -4.95 105.19 104.28 1vr4 n GLY 8 Ca 0.49 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1vr4 n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vr4 s ILE 9 N -2.00 3.78 -0.01 -0.61 -1.09 -1.26 -5.02 121.20 114.99 1vr4 s ILE 9 Ca 0.00 -2.46 -0.38 0.00 -2.23 0.00 0.00 60.65 55.58 1vr4 s ILE 9 Cb 0.00 -3.49 -0.17 0.00 -1.58 0.00 0.00 42.46 37.21 1vr4 s ILE 9 CO 0.00 -0.81 1.35 0.00 -1.23 0.00 0.00 174.94 174.25 1vr4 n GLN 10 N 4.09 0.84 0.00 2.79 6.02 -1.26 -0.65 117.38 129.22 1vr4 n GLN 10 Ca 0.02 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1vr4 n GLN 10 Cb 0.40 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1vr4 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vr4 n GLY 11 N 2.59 3.34 2.94 1.08 0.00 -1.26 -5.01 105.19 108.87 1vr4 n GLY 11 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1vr4 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr4 s LYS 12 N -0.70 1.78 0.33 1.61 -0.14 0.18 -5.12 119.74 117.68 1vr4 s LYS 12 Ca 0.00 -0.44 -0.28 0.00 -1.36 0.00 0.00 55.97 53.90 1vr4 s LYS 12 Cb 0.00 -1.88 -0.09 0.00 -1.68 0.00 0.00 37.83 34.18 1vr4 s LYS 12 CO 0.00 -0.30 1.15 -1.83 -0.76 0.00 0.00 175.35 173.61 1vr4 s GLU 13 N 1.61 4.42 -0.17 1.68 -1.05 -1.26 -4.37 118.70 119.55 1vr4 s GLU 13 Ca 0.04 1.87 -0.25 0.00 -0.15 0.00 0.00 54.97 56.47 1vr4 s GLU 13 Cb -0.13 -3.00 -0.01 0.00 -0.44 0.00 0.00 34.13 30.55 1vr4 s GLU 13 CO -0.09 -0.01 0.84 0.42 0.95 0.00 0.00 175.26 177.37 1vr4 s ILE 14 N -1.26 4.88 -0.12 1.83 1.01 -1.26 -4.67 121.20 121.60 1vr4 s ILE 14 Ca 0.49 1.65 0.19 0.00 0.00 0.00 0.00 60.65 62.99 1vr4 s ILE 14 Cb -0.32 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.78 1vr4 s ILE 14 CO 0.42 0.03 0.51 2.30 0.00 0.00 0.00 174.94 178.19 1vr4 n ILE 15 N 4.72 0.79 -3.74 2.92 -5.35 -0.63 -4.94 119.36 113.14 1vr4 n ILE 15 Ca 0.05 -0.66 -0.12 0.00 -0.27 0.00 0.00 62.75 61.74 1vr4 n ILE 15 Cb 0.49 -0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 37.90 1vr4 n ILE 15 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1vr4 s GLU 16 N -3.04 0.34 -0.36 6.28 2.12 -1.08 -4.99 118.70 117.96 1vr4 s GLU 16 Ca -0.06 0.54 -0.12 0.00 0.36 0.00 0.00 54.97 55.68 1vr4 s GLU 16 Cb 0.10 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.57 1vr4 s GLU 16 CO 0.85 -0.10 0.22 0.71 -0.54 0.00 0.00 175.26 176.41 1vr4 s TYR 17 N 0.68 3.22 -0.17 5.30 1.51 -1.26 -0.91 117.35 125.72 1vr4 s TYR 17 Ca -0.04 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.21 1vr4 s TYR 17 Cb -0.05 -2.46 -0.15 0.00 -0.11 0.00 0.00 41.96 39.18 1vr4 s TYR 17 CO -0.04 -0.53 0.22 0.82 -1.11 0.00 0.00 175.55 174.91 1vr4 h ILE 18 N 5.69 0.81 -1.17 2.71 2.04 -1.45 -3.50 117.51 122.64 1vr4 h ILE 18 Ca -0.29 -1.86 0.23 0.00 1.00 0.00 0.00 64.86 63.95 1vr4 h ILE 18 Cb 1.13 1.79 -0.25 0.00 -0.74 0.00 0.00 36.82 38.74 1vr4 h ILE 18 CO 0.66 0.28 0.89 -0.62 0.00 0.00 0.00 178.15 179.36 1vr4 s ASP 19 N -6.38 -0.09 0.09 1.72 -1.08 -1.17 -5.01 116.67 104.76 1vr4 s ASP 19 Ca -0.21 0.08 -0.30 0.00 -0.52 0.00 0.00 52.55 51.59 1vr4 s ASP 19 Cb 0.03 0.08 -0.05 0.00 -1.46 0.00 0.00 42.92 41.51 1vr4 s ASP 19 CO 0.48 -0.10 0.99 -0.63 0.52 0.00 0.00 175.17 176.43 1vr4 s ILE 20 N -1.29 4.50 0.19 4.11 1.01 -1.26 0.43 121.20 128.88 1vr4 s ILE 20 Ca 0.08 2.00 0.11 0.00 0.00 0.00 0.00 60.65 62.84 1vr4 s ILE 20 Cb -0.01 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1vr4 s ILE 20 CO -0.06 0.27 -0.24 0.68 0.00 0.00 0.00 174.94 175.60 1vr4 s VAL 21 N 0.22 2.33 0.02 2.92 -7.23 0.67 -4.89 120.40 114.44 1vr4 s VAL 21 Ca 0.49 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1vr4 s VAL 21 Cb -0.24 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1vr4 s VAL 21 CO 0.30 -0.12 -0.03 0.20 -0.31 0.00 0.00 175.10 175.14 1vr4 s ASN 22 N -2.65 0.27 0.03 4.85 0.01 -1.26 -1.44 114.94 114.75 1vr4 s ASN 22 Ca 0.20 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1vr4 s ASN 22 Cb -0.08 0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.66 1vr4 s ASN 22 CO 0.10 -0.30 0.04 -0.83 -1.51 0.00 0.00 177.10 174.60 1vr4 s GLY 23 N -1.47 0.23 0.08 0.66 0.00 -0.36 -4.16 107.32 102.30 1vr4 s GLY 23 Ca -0.16 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1vr4 s GLY 23 CO -0.01 -0.75 0.24 -0.54 0.00 0.00 0.00 173.10 172.04 1vr4 s GLU 24 N -2.39 0.85 0.01 2.90 8.01 -1.26 0.13 118.70 126.94 1vr4 s GLU 24 Ca -0.07 -0.78 -0.04 0.00 0.01 0.00 0.00 54.97 54.09 1vr4 s GLU 24 Cb -0.03 0.35 -0.01 0.00 -4.31 0.00 0.00 34.13 30.14 1vr4 s GLU 24 CO -0.04 -0.28 0.07 0.00 0.01 0.00 0.00 175.26 175.02 1vr4 s ALA 25 N -3.40 -0.14 -0.06 5.21 0.00 -0.22 -4.33 121.76 118.82 1vr4 s ALA 25 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1vr4 s ALA 25 Cb 0.02 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1vr4 s ALA 25 CO -0.09 -0.17 -0.13 0.42 0.00 0.00 0.00 175.76 175.79 1vr4 s ILE 26 N -1.28 1.19 -0.20 0.00 1.09 -1.26 -1.31 121.20 119.42 1vr4 s ILE 26 Ca -0.14 -0.52 -0.08 0.00 -1.10 0.00 0.00 60.65 58.80 1vr4 s ILE 26 Cb -0.08 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.20 1vr4 s ILE 26 CO 0.00 0.36 0.09 -0.04 -0.10 0.00 0.00 174.94 175.26 1vr4 s MET 27 N 0.56 4.01 0.61 2.79 -1.94 0.17 -4.95 119.30 120.55 1vr4 s MET 27 Ca -0.13 -0.32 -0.19 0.00 -1.71 0.00 0.00 55.69 53.34 1vr4 s MET 27 Cb -0.15 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 1vr4 s MET 27 CO 0.04 0.20 1.28 0.20 -0.01 0.00 0.00 175.02 176.73 1vr4 s GLY 28 N 0.59 2.83 0.16 -0.03 0.00 -1.26 -1.51 107.32 108.10 1vr4 s GLY 28 Ca 0.05 1.18 -0.16 0.00 0.00 0.00 0.00 44.72 45.79 1vr4 s GLY 28 CO 0.01 1.61 1.75 0.00 0.00 0.00 0.00 173.10 176.47 1vr4 h ALA 29 N 0.82 0.45 -0.94 3.20 0.00 -1.86 -0.68 119.26 120.25 1vr4 h ALA 29 Ca -0.51 0.05 0.26 0.00 0.00 0.00 0.00 54.91 54.71 1vr4 h ALA 29 Cb 1.32 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1vr4 h ALA 29 CO 0.54 -0.26 0.44 -0.91 0.00 0.00 0.00 179.25 179.07 1vr4 h ASN 30 N 0.29 0.36 0.03 0.00 4.21 -1.92 -1.39 115.58 117.15 1vr4 h ASN 30 Ca 0.18 0.17 -0.24 0.00 1.21 0.00 0.00 56.30 57.63 1vr4 h ASN 30 Cb 0.16 0.15 0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1vr4 h ASN 30 CO -0.18 -0.07 -0.94 0.40 -1.29 0.00 0.00 177.43 175.35 1vr4 h ILE 31 N 0.35 1.33 -0.95 2.81 1.08 -1.60 -3.11 117.51 117.43 1vr4 h ILE 31 Ca 0.63 -2.25 0.06 0.00 -0.39 0.00 0.00 64.86 62.91 1vr4 h ILE 31 Cb 1.30 2.55 -0.06 0.00 -3.07 0.00 0.00 36.82 37.53 1vr4 h ILE 31 CO -0.58 0.68 0.61 0.58 -0.69 0.00 0.00 178.15 178.75 1vr4 h VAL 32 N 0.19 1.07 -0.64 1.67 2.07 -0.61 -1.11 116.25 118.90 1vr4 h VAL 32 Ca -0.13 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1vr4 h VAL 32 Cb 1.62 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1vr4 h VAL 32 CO 0.18 0.20 0.42 -0.09 0.02 0.00 0.00 177.57 178.31 1vr4 h ARG 33 N 1.11 0.80 -1.07 1.57 2.43 -1.36 -1.47 114.38 116.39 1vr4 h ARG 33 Ca 0.41 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1vr4 h ARG 33 Cb 0.16 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1vr4 h ARG 33 CO -0.17 0.53 0.02 -0.25 -1.51 0.00 0.00 179.97 178.59 1vr4 n ASP 34 N -4.45 3.20 -0.54 -3.80 8.00 -0.42 -2.29 116.55 116.25 1vr4 n ASP 34 Ca 0.07 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1vr4 n ASP 34 Cb 0.08 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1vr4 n ASP 34 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1vr4 n LEU 35 N 0.53 0.02 -2.78 0.64 7.94 -0.55 -4.85 117.00 117.95 1vr4 n LEU 35 Ca 0.02 -1.04 -0.31 0.00 -1.11 0.00 0.00 56.01 53.56 1vr4 n LEU 35 Cb 0.53 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 1vr4 n LEU 35 CO 0.02 0.45 1.80 0.33 -1.11 0.00 0.00 177.39 178.87 1vr4 n PHE 36 N 0.02 1.90 0.24 1.96 7.35 -0.97 -4.58 117.46 123.37 1vr4 n PHE 36 Ca -0.00 -2.19 0.11 0.00 -0.76 0.00 0.00 57.45 54.61 1vr4 n PHE 36 Cb 0.67 -1.49 0.56 0.00 0.35 0.00 0.00 39.48 39.57 1vr4 n PHE 36 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vr4 h ALA 37 N 3.44 1.11 0.00 3.13 0.00 -1.88 -3.26 119.26 121.80 1vr4 h ALA 37 Ca 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vr4 h ALA 37 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vr4 h ALA 37 CO 1.05 0.24 0.00 0.45 0.00 0.00 0.00 179.25 180.99 1vr4 n SER 38 N -3.48 0.00 0.14 0.00 2.88 -1.26 -3.41 113.62 108.48 1vr4 n SER 38 Ca -0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1vr4 n SER 38 Cb 0.36 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.05 1vr4 n SER 38 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1vr4 n VAL 39 N 0.15 0.52 -3.49 2.46 0.31 -1.23 -3.46 118.33 113.58 1vr4 n VAL 39 Ca 0.00 0.71 -0.25 0.00 -0.01 0.00 0.00 64.34 64.79 1vr4 n VAL 39 Cb 0.00 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 1vr4 n VAL 39 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1vr4 s ARG 40 N -3.12 0.24 7.51 5.55 0.52 -1.22 -5.13 118.95 123.29 1vr4 s ARG 40 Ca -0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1vr4 s ARG 40 Cb 0.02 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1vr4 s ARG 40 CO 0.08 -1.03 0.00 -3.47 0.02 0.00 0.00 175.30 170.90 1vr4 n ASP 41 N 5.26 0.00 -4.12 0.23 -0.08 -1.23 -4.65 116.55 111.96 1vr4 n ASP 41 Ca -0.05 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.95 1vr4 n ASP 41 Cb 0.43 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.73 1vr4 n ASP 41 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1vr4 s VAL 42 N 0.00 1.63 0.01 5.18 1.01 -1.26 -4.79 120.40 122.18 1vr4 s VAL 42 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1vr4 s VAL 42 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1vr4 s VAL 42 CO 0.00 0.46 -0.12 0.68 0.00 0.00 0.00 175.10 176.12 1vr4 s VAL 43 N 0.56 0.98 0.67 2.92 -7.23 -1.26 -5.11 120.40 111.93 1vr4 s VAL 43 Ca -0.15 -0.66 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 1vr4 s VAL 43 Cb -0.17 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1vr4 s VAL 43 CO 0.05 0.18 1.13 -0.83 -0.31 0.00 0.00 175.10 175.32 1vr4 s GLY 44 N -0.54 2.20 0.66 2.32 0.00 -1.26 -4.92 107.32 105.77 1vr4 s GLY 44 Ca 0.03 0.62 0.41 0.00 0.00 0.00 0.00 44.72 45.78 1vr4 s GLY 44 CO 0.00 0.98 2.32 -1.33 0.00 0.00 0.00 173.10 175.07 1vr4 h GLY 45 N 0.01 0.00 -2.83 0.20 0.00 -2.00 -2.40 103.07 96.06 1vr4 h GLY 45 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1vr4 h GLY 45 CO 0.53 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.61 1vr4 n ARG 46 N -3.19 3.97 -2.28 4.80 1.74 -1.26 -2.41 116.66 118.03 1vr4 n ARG 46 Ca -0.03 -2.94 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 1vr4 n ARG 46 Cb 0.10 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 1vr4 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vr4 s ALA 47 N -2.36 3.59 -1.28 7.54 0.00 -0.90 -3.29 121.76 125.06 1vr4 s ALA 47 Ca 0.49 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1vr4 s ALA 47 Cb 0.35 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1vr4 s ALA 47 CO 0.17 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1vr4 n GLY 48 N 3.66 1.22 3.03 0.00 0.00 -1.26 -4.99 105.19 106.86 1vr4 n GLY 48 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1vr4 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vr4 s SER 49 N -2.56 0.47 -0.00 1.61 1.04 -1.21 -5.08 113.70 107.97 1vr4 s SER 49 Ca 0.00 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 1vr4 s SER 49 Cb 0.00 0.11 -0.14 0.00 0.10 0.00 0.00 66.02 66.09 1vr4 s SER 49 CO 0.00 -0.37 1.03 0.22 0.98 0.00 0.00 173.24 175.11 1vr4 h TYR 50 N 4.14 -0.64 -2.91 5.02 3.20 -1.94 -3.45 116.97 120.40 1vr4 h TYR 50 Ca -0.33 -0.02 -0.65 0.00 3.14 0.00 0.00 58.73 60.87 1vr4 h TYR 50 Cb 1.19 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.60 1vr4 h TYR 50 CO 0.62 -0.33 -0.52 -1.21 -1.64 0.00 0.00 178.16 175.08 1vr4 s GLU 51 N -4.34 3.29 0.23 1.82 2.02 -1.26 -4.99 118.70 115.48 1vr4 s GLU 51 Ca -0.13 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1vr4 s GLU 51 Cb 0.01 -3.01 -0.16 0.00 0.10 0.00 0.00 34.13 31.08 1vr4 s GLU 51 CO 0.42 0.67 0.81 0.43 0.02 0.00 0.00 175.26 177.61 1vr4 n SER 52 N 1.09 0.15 0.10 -0.19 7.64 -1.26 -4.84 113.62 116.30 1vr4 n SER 52 Ca -0.12 1.15 0.07 0.00 1.01 0.00 0.00 58.87 60.98 1vr4 n SER 52 Cb 0.53 -1.12 0.36 0.00 -1.01 0.00 0.00 64.21 62.96 1vr4 n SER 52 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vr4 n LYS 53 N 0.94 0.08 0.00 1.43 5.02 -1.01 -0.97 118.16 123.65 1vr4 n LYS 53 Ca 0.14 0.58 0.07 0.00 -2.02 0.00 0.00 58.31 57.08 1vr4 n LYS 53 Cb 0.28 -1.77 0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1vr4 n LYS 53 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vr4 n LEU 54 N -1.95 2.14 -0.12 -0.35 4.32 -1.26 -4.61 117.00 115.16 1vr4 n LEU 54 Ca -0.01 -0.98 -0.05 0.00 -0.02 0.00 0.00 56.01 54.95 1vr4 n LEU 54 Cb 0.03 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 41.97 1vr4 n LEU 54 CO 0.06 0.39 0.88 0.50 -1.22 0.00 0.00 177.39 178.00 1vr4 h LYS 55 N 2.71 0.83 -0.57 3.23 3.64 -1.39 -1.96 116.57 123.06 1vr4 h LYS 55 Ca 0.00 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 1vr4 h LYS 55 Cb 0.59 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1vr4 h LYS 55 CO 0.00 0.83 -0.07 1.49 -2.27 0.00 0.00 179.45 179.42 1vr4 h GLU 56 N 0.77 1.04 -0.49 1.90 4.81 -1.82 0.20 114.58 121.00 1vr4 h GLU 56 Ca 0.15 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1vr4 h GLU 56 Cb 0.46 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1vr4 h GLU 56 CO 0.02 1.06 0.20 0.00 -0.73 0.00 0.00 179.01 179.57 1vr4 h ALA 57 N 0.97 0.63 -0.48 2.92 0.00 -1.82 -1.80 119.26 119.68 1vr4 h ALA 57 Ca 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1vr4 h ALA 57 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1vr4 h ALA 57 CO 0.04 0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.58 1vr4 h ARG 58 N 0.64 0.81 -0.51 0.00 3.08 -1.06 -1.78 114.38 115.56 1vr4 h ARG 58 Ca 0.16 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1vr4 h ARG 58 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1vr4 h ARG 58 CO -0.02 0.83 0.14 -0.44 -1.07 0.00 0.00 179.97 179.41 1vr4 h ASP 59 N 0.67 0.70 -0.32 7.04 3.32 -0.55 0.13 116.42 127.42 1vr4 h ASP 59 Ca 0.14 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1vr4 h ASP 59 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1vr4 h ASP 59 CO 0.01 0.68 -0.18 0.40 -1.72 0.00 0.00 179.24 178.44 1vr4 h ILE 60 N 0.74 1.29 0.02 0.35 2.04 -1.15 0.38 117.51 121.18 1vr4 h ILE 60 Ca 0.17 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1vr4 h ILE 60 Cb 0.25 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1vr4 h ILE 60 CO -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 178.15 178.55 1vr4 h ALA 61 N 0.76 -0.03 -0.76 1.87 0.00 -1.04 -2.25 119.26 117.81 1vr4 h ALA 61 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vr4 h ALA 61 Cb 0.72 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1vr4 h ALA 61 CO 0.05 -0.49 0.49 1.98 0.00 0.00 0.00 179.25 181.28 1vr4 h MET 62 N -0.08 0.97 -0.68 0.00 -1.53 -0.72 -2.08 114.93 110.81 1vr4 h MET 62 Ca -0.00 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1vr4 h MET 62 Cb 0.07 -0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 30.87 1vr4 h MET 62 CO 0.01 0.64 0.45 -0.44 0.14 0.00 0.00 176.91 177.70 1vr4 h ASP 63 N 0.99 0.77 -0.10 1.39 5.19 -0.86 -1.04 116.42 122.76 1vr4 h ASP 63 Ca 0.29 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 1vr4 h ASP 63 Cb -0.07 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1vr4 h ASP 63 CO -0.08 0.56 -0.24 -0.33 -3.12 0.00 0.00 179.24 176.03 1vr4 h GLU 64 N 0.91 0.53 0.13 3.56 5.08 -1.12 -0.15 114.58 123.52 1vr4 h GLU 64 Ca 0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1vr4 h GLU 64 Cb -0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1vr4 h GLU 64 CO -0.06 0.74 -0.06 1.98 -1.00 0.00 0.00 179.01 180.60 1vr4 h MET 65 N 0.47 -0.17 -0.49 2.33 4.05 -1.00 -2.64 114.93 117.48 1vr4 h MET 65 Ca 0.07 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1vr4 h MET 65 Cb 0.68 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.45 1vr4 h MET 65 CO 0.05 0.24 0.15 0.87 0.23 0.00 0.00 176.91 178.45 1vr4 h LYS 66 N -0.65 0.30 -0.82 0.39 1.57 -1.21 -1.07 116.57 115.07 1vr4 h LYS 66 Ca -0.02 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1vr4 h LYS 66 Cb 0.49 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1vr4 h LYS 66 CO 0.03 0.20 0.46 1.49 -0.57 0.00 0.00 179.45 181.06 1vr4 h GLU 67 N 0.30 0.74 0.14 3.15 4.81 -1.00 0.22 114.58 122.94 1vr4 h GLU 67 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1vr4 h GLU 67 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1vr4 h GLU 67 CO -0.27 0.49 -0.07 1.25 -0.73 0.00 0.00 179.01 179.68 1vr4 h LEU 68 N 0.76 -0.16 -0.30 1.64 5.85 -1.03 -1.81 115.31 120.27 1vr4 h LEU 68 Ca 0.40 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1vr4 h LEU 68 Cb 0.39 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1vr4 h LEU 68 CO -0.26 0.04 -0.14 0.00 -0.34 0.00 0.00 178.44 177.74 1vr4 h ALA 69 N 0.50 0.10 -0.88 1.25 0.00 -0.86 -1.31 119.26 118.07 1vr4 h ALA 69 Ca -0.02 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1vr4 h ALA 69 Cb 0.27 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1vr4 h ALA 69 CO 0.03 -0.53 0.54 0.87 0.00 0.00 0.00 179.25 180.16 1vr4 h LYS 70 N -0.09 0.94 0.00 0.00 1.57 -0.49 -1.48 116.57 117.02 1vr4 h LYS 70 Ca 0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1vr4 h LYS 70 Cb 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1vr4 h LYS 70 CO -0.36 0.62 -0.38 1.96 -0.57 0.00 0.00 179.45 180.72 1vr4 h GLN 71 N 0.97 0.00 -0.00 3.15 4.20 -0.91 -2.05 115.11 120.47 1vr4 h GLN 71 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1vr4 h GLN 71 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1vr4 h GLN 71 CO -0.19 0.38 -0.01 1.63 -0.67 0.00 0.00 178.83 179.96 1vr4 n LYS 72 N -3.82 0.85 -0.39 1.46 5.02 -0.53 -4.91 118.16 115.84 1vr4 n LYS 72 Ca -0.01 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1vr4 n LYS 72 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1vr4 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vr4 n GLY 73 N 1.13 0.79 3.85 0.72 0.00 -0.77 -5.05 105.19 105.85 1vr4 n GLY 73 Ca 0.20 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1vr4 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr4 s ALA 74 N -2.00 3.21 0.00 4.61 0.00 -1.03 -4.83 121.76 121.72 1vr4 s ALA 74 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1vr4 s ALA 74 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1vr4 s ALA 74 CO 0.00 0.12 0.73 0.27 0.00 0.00 0.00 175.76 176.88 1vr4 n ASN 75 N -0.82 1.36 -3.58 0.00 6.94 -0.45 -4.42 115.26 114.28 1vr4 n ASN 75 Ca 0.05 -1.53 -0.14 0.00 -0.02 0.00 0.00 54.58 52.94 1vr4 n ASN 75 Cb 0.54 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 1vr4 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vr4 s ALA 76 N -0.53 -1.30 -0.08 -2.53 0.00 -0.99 -3.20 121.76 113.14 1vr4 s ALA 76 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1vr4 s ALA 76 Cb 0.00 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1vr4 s ALA 76 CO 0.00 -0.50 -0.08 0.42 0.00 0.00 0.00 175.76 175.59 1vr4 s ILE 77 N -2.47 0.95 0.37 0.00 1.01 0.56 -0.81 121.20 120.82 1vr4 s ILE 77 Ca -0.05 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1vr4 s ILE 77 Cb -0.01 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 1vr4 s ILE 77 CO -0.02 0.34 0.01 0.68 0.00 0.00 0.00 174.94 175.94 1vr4 s VAL 78 N 1.23 2.32 -1.41 2.92 -7.23 -0.12 -1.62 120.40 116.49 1vr4 s VAL 78 Ca -0.05 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 1vr4 s VAL 78 Cb -0.14 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 34.00 1vr4 s VAL 78 CO -0.02 -0.12 1.12 0.61 -0.31 0.00 0.00 175.10 176.38 1vr4 n GLY 79 N -0.95 -0.53 3.74 2.32 0.00 -0.07 -0.14 105.19 109.55 1vr4 n GLY 79 Ca -0.04 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1vr4 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vr4 s VAL 80 N -3.32 3.60 0.04 1.61 1.01 -0.67 -4.43 120.40 118.24 1vr4 s VAL 80 Ca 0.59 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.98 1vr4 s VAL 80 Cb -0.27 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1vr4 s VAL 80 CO 0.76 0.21 -0.16 -0.62 0.00 0.00 0.00 175.10 175.29 1vr4 s ASP 81 N 0.13 1.90 -0.08 3.32 2.15 0.04 -4.47 116.67 119.67 1vr4 s ASP 81 Ca 0.53 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1vr4 s ASP 81 Cb -0.32 -0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.13 1vr4 s ASP 81 CO 0.36 0.07 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.67 1vr4 s VAL 82 N -0.82 3.65 0.03 1.11 1.01 -1.26 -1.49 120.40 122.64 1vr4 s VAL 82 Ca 0.03 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1vr4 s VAL 82 Cb -0.08 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1vr4 s VAL 82 CO 0.01 0.58 -0.14 -1.81 0.00 0.00 0.00 175.10 173.74 1vr4 s ASP 83 N -0.58 1.69 0.01 3.32 1.01 0.15 -4.98 116.67 117.28 1vr4 s ASP 83 Ca 0.09 -0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.00 1vr4 s ASP 83 Cb -0.12 -0.12 -0.02 0.00 1.01 0.00 0.00 42.92 43.67 1vr4 s ASP 83 CO 0.02 0.06 -0.25 -0.31 0.21 0.00 0.00 175.17 174.90 1vr4 s TYR 84 N -0.77 2.23 -0.23 4.23 1.51 -1.26 -0.65 117.35 122.41 1vr4 s TYR 84 Ca 0.02 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.49 1vr4 s TYR 84 Cb -0.08 -1.39 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 1vr4 s TYR 84 CO 0.01 0.03 0.59 -2.00 -1.11 0.00 0.00 175.55 173.07 1vr4 s GLU 85 N -0.88 0.65 -0.25 -0.62 2.56 -0.37 -5.01 118.70 114.78 1vr4 s GLU 85 Ca 0.10 0.92 -0.24 0.00 0.00 0.00 0.00 54.97 55.76 1vr4 s GLU 85 Cb -0.10 0.23 -0.01 0.00 2.00 0.00 0.00 34.13 36.26 1vr4 s GLU 85 CO 0.00 -0.11 0.81 0.08 -0.56 0.00 0.00 175.26 175.48 1vr4 s VAL 86 N 0.83 4.84 0.15 3.70 1.01 -1.26 -0.40 120.40 129.28 1vr4 s VAL 86 Ca -0.04 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1vr4 s VAL 86 Cb -0.05 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1vr4 s VAL 86 CO -0.07 -0.08 0.06 1.33 0.00 0.00 0.00 175.10 176.34 1vr4 n VAL 87 N 5.28 0.00 0.00 2.92 0.24 -0.61 -4.99 118.33 121.17 1vr4 n VAL 87 Ca 0.05 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1vr4 n VAL 87 Cb 0.48 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1vr4 n VAL 87 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vr4 n ARG 88 N -0.62 0.00 -2.44 7.34 1.74 -1.26 -2.13 116.66 119.28 1vr4 n ARG 88 Ca -0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1vr4 n ARG 88 Cb 0.19 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.62 1vr4 n ARG 88 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vr4 n ASP 89 N 0.00 -3.51 0.00 0.55 2.03 -1.26 -2.34 116.55 112.02 1vr4 n ASP 89 Ca 0.00 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1vr4 n ASP 89 Cb 0.00 -3.01 0.00 0.00 -0.72 0.00 0.00 41.12 37.39 1vr4 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vr4 n GLY 90 N -0.76 0.95 3.79 0.27 0.00 -0.91 -4.76 105.19 103.77 1vr4 n GLY 90 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1vr4 n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vr4 s MET 91 N -0.91 4.25 -0.17 1.61 -1.94 -0.99 -4.30 119.30 116.85 1vr4 s MET 91 Ca 0.00 1.37 -0.04 0.00 -1.71 0.00 0.00 55.69 55.31 1vr4 s MET 91 Cb 0.00 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1vr4 s MET 91 CO 0.00 -0.04 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.78 1vr4 s LEU 92 N -2.67 3.26 -0.14 -0.03 2.96 -0.57 -1.58 118.68 119.92 1vr4 s LEU 92 Ca 0.58 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1vr4 s LEU 92 Cb -0.18 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1vr4 s LEU 92 CO 0.23 0.13 0.06 -0.32 -1.32 0.00 0.00 176.35 175.14 1vr4 s MET 93 N 0.57 3.53 -0.17 1.98 -2.45 0.46 0.44 119.30 123.65 1vr4 s MET 93 Ca -0.02 -0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.11 1vr4 s MET 93 Cb -0.14 -3.07 -0.00 0.00 1.25 0.00 0.00 34.83 32.86 1vr4 s MET 93 CO 0.02 0.54 -0.13 0.08 1.05 0.00 0.00 175.02 176.58 1vr4 s VAL 94 N -0.39 2.80 -0.02 10.11 1.01 -0.43 -1.24 120.40 132.24 1vr4 s VAL 94 Ca 0.09 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1vr4 s VAL 94 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1vr4 s VAL 94 CO 0.02 0.50 -0.26 0.00 0.00 0.00 0.00 175.10 175.36 1vr4 s ALA 95 N 0.95 2.17 -0.00 5.51 0.00 0.18 -1.05 121.76 129.51 1vr4 s ALA 95 Ca -0.02 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1vr4 s ALA 95 Cb -0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1vr4 s ALA 95 CO -0.02 0.53 -0.20 0.14 0.00 0.00 0.00 175.76 176.22 1vr4 s VAL 96 N -0.62 1.55 0.12 0.00 -7.23 0.12 0.32 120.40 114.66 1vr4 s VAL 96 Ca 0.10 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 1vr4 s VAL 96 Cb -0.10 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1vr4 s VAL 96 CO -0.01 0.39 -0.11 -0.94 -0.31 0.00 0.00 175.10 174.13 1vr4 s SER 97 N -0.58 1.68 0.07 4.85 1.04 -0.55 -1.22 113.70 118.99 1vr4 s SER 97 Ca 0.07 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.36 1vr4 s SER 97 Cb -0.08 -0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.12 1vr4 s SER 97 CO -0.00 -0.26 1.15 -0.83 0.98 0.00 0.00 173.24 174.28 1vr4 s GLY 98 N -2.68 -0.20 -0.27 7.32 0.00 -0.52 -0.78 107.32 110.19 1vr4 s GLY 98 Ca 0.10 0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 1vr4 s GLY 98 CO 0.01 1.60 0.17 -1.59 0.00 0.00 0.00 173.10 173.28 1vr4 s THR 99 N -2.50 5.15 -0.03 0.90 2.01 0.80 -0.24 115.64 121.74 1vr4 s THR 99 Ca 0.18 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1vr4 s THR 99 Cb 0.01 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1vr4 s THR 99 CO 0.00 0.27 1.21 0.00 -0.69 0.00 0.00 174.62 175.41 1vr4 s ALA 100 N 1.70 3.47 0.20 7.40 0.00 0.17 -0.95 121.76 133.74 1vr4 s ALA 100 Ca 0.07 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1vr4 s ALA 100 Cb -0.16 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1vr4 s ALA 100 CO 0.10 -0.69 -0.03 0.14 0.00 0.00 0.00 175.76 175.28 1vr4 s VAL 101 N 1.96 0.98 -0.17 0.00 -7.23 0.01 -1.04 120.40 114.91 1vr4 s VAL 101 Ca 0.57 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.68 1vr4 s VAL 101 Cb -0.26 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1vr4 s VAL 101 CO 0.24 -0.47 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.38 1vr4 s ARG 102 N -3.85 3.57 0.00 4.82 0.52 -0.09 -1.34 118.95 122.59 1vr4 s ARG 102 Ca 0.24 -0.56 0.14 0.00 -0.52 0.00 0.00 55.73 55.03 1vr4 s ARG 102 Cb 0.05 -2.91 0.11 0.00 0.52 0.00 0.00 34.95 32.72 1vr4 s ARG 102 CO 0.05 0.13 0.95 -0.89 0.02 0.00 0.00 175.30 175.57