#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 4.91 -0.10 1.12 1.01 -1.23 -4.98 121.20 121.93 1vr4 s ILE 2 Ca 0.00 1.58 0.03 0.00 0.00 0.00 0.00 60.65 62.26 1vr4 s ILE 2 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1vr4 s ILE 2 CO 0.00 0.05 -0.18 -0.69 0.00 0.00 0.00 174.94 174.13 1vr4 s VAL 3 N 2.01 1.63 -0.11 2.92 1.01 -1.26 -1.20 120.40 125.39 1vr4 s VAL 3 Ca 0.37 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1vr4 s VAL 3 Cb -0.17 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1vr4 s VAL 3 CO 0.13 0.46 0.44 0.28 0.00 0.00 0.00 175.10 176.42 1vr4 s THR 4 N 0.72 0.02 -1.03 3.92 -1.32 -0.57 -5.01 115.64 112.37 1vr4 s THR 4 Ca -0.12 -0.13 0.27 0.00 -1.21 0.00 0.00 61.69 60.50 1vr4 s THR 4 Cb -0.16 -0.68 0.14 0.00 -1.51 0.00 0.00 72.50 70.29 1vr4 s THR 4 CO 0.02 -0.07 1.69 0.35 -2.21 0.00 0.00 174.62 174.40 1vr4 n THR 5 N 2.16 0.00 -2.02 5.08 -2.24 -1.26 -1.12 114.28 114.88 1vr4 n THR 5 Ca -0.16 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1vr4 n THR 5 Cb 0.57 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.98 3.47 -0.47 4.28 -4.23 -1.26 -4.15 115.64 110.30 1vr4 s THR 6 Ca 0.13 0.75 0.20 0.00 -1.18 0.00 0.00 61.69 61.59 1vr4 s THR 6 Cb 0.18 -3.26 0.20 0.00 1.34 0.00 0.00 72.50 70.96 1vr4 s THR 6 CO 0.61 -0.36 1.61 -1.20 -0.54 0.00 0.00 174.62 174.74 1vr4 n SER 7 N -1.94 0.51 -3.15 3.99 7.64 -1.26 -0.19 113.62 119.22 1vr4 n SER 7 Ca 0.10 0.67 -0.13 0.00 1.01 0.00 0.00 58.87 60.53 1vr4 n SER 7 Cb 0.52 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 1vr4 n SER 7 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vr4 s GLY 8 N -3.45 1.08 -0.14 0.23 0.00 -1.26 -4.62 107.32 99.14 1vr4 s GLY 8 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1vr4 s GLY 8 CO 0.27 -0.75 -0.10 -0.42 0.00 0.00 0.00 173.10 172.11 1vr4 s ILE 9 N -2.81 3.29 0.11 0.90 1.01 -1.26 -4.95 121.20 117.48 1vr4 s ILE 9 Ca 0.25 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1vr4 s ILE 9 Cb -0.02 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1vr4 s ILE 9 CO 0.17 0.51 1.06 -1.58 0.00 0.00 0.00 174.94 175.10 1vr4 s GLN 10 N 0.45 4.59 0.00 2.79 0.74 -1.26 -3.94 119.66 123.04 1vr4 s GLN 10 Ca -0.08 1.60 0.00 0.00 0.05 0.00 0.00 55.36 56.93 1vr4 s GLN 10 Cb -0.15 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1vr4 s GLN 10 CO 0.04 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1vr4 n GLY 11 N 2.46 2.17 3.08 2.59 0.00 -1.26 -5.01 105.19 109.23 1vr4 n GLY 11 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.32 1.75 0.03 1.61 3.01 -1.25 -5.12 119.74 119.45 1vr4 s LYS 12 Ca 0.00 -0.52 -0.30 0.00 -1.01 0.00 0.00 55.97 54.14 1vr4 s LYS 12 Cb 0.00 -1.47 -0.04 0.00 -1.01 0.00 0.00 37.83 35.30 1vr4 s LYS 12 CO 0.00 0.14 1.10 -1.21 0.51 0.00 0.00 175.35 175.88 1vr4 s GLU 13 N 0.33 4.49 -0.30 1.68 2.02 -1.26 -4.76 118.70 120.90 1vr4 s GLU 13 Ca -0.09 1.61 -0.28 0.00 0.02 0.00 0.00 54.97 56.23 1vr4 s GLU 13 Cb -0.13 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.71 1vr4 s GLU 13 CO 0.03 -0.16 1.00 0.42 0.02 0.00 0.00 175.26 176.57 1vr4 s ILE 14 N 1.04 4.61 -0.70 -1.63 1.01 -1.26 -4.56 121.20 119.71 1vr4 s ILE 14 Ca 0.56 1.66 0.23 0.00 0.00 0.00 0.00 60.65 63.09 1vr4 s ILE 14 Cb -0.26 -4.33 -0.08 0.00 0.01 0.00 0.00 42.46 37.80 1vr4 s ILE 14 CO 0.29 -0.36 1.11 2.30 0.00 0.00 0.00 174.94 178.28 1vr4 n ILE 15 N 5.68 0.15 -3.64 2.92 -5.35 -0.68 -4.92 119.36 113.52 1vr4 n ILE 15 Ca 0.10 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.36 1vr4 n ILE 15 Cb 0.47 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.55 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 -3.15 0.62 -0.26 6.28 2.12 -1.15 -4.99 118.70 118.17 1vr4 s GLU 16 Ca 0.05 1.36 -0.22 0.00 0.36 0.00 0.00 54.97 56.53 1vr4 s GLU 16 Cb 0.15 0.61 -0.01 0.00 0.26 0.00 0.00 34.13 35.14 1vr4 s GLU 16 CO 0.78 -0.18 0.71 0.71 -0.54 0.00 0.00 175.26 176.74 1vr4 s TYR 17 N 2.45 3.28 -0.14 5.30 1.51 -1.26 -0.41 117.35 128.07 1vr4 s TYR 17 Ca -0.07 0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 56.80 1vr4 s TYR 17 Cb -0.09 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 1vr4 s TYR 17 CO -0.19 -0.38 -0.17 0.82 -1.11 0.00 0.00 175.55 174.51 1vr4 h ILE 18 N 5.45 0.00 -1.57 2.71 2.04 -1.47 -3.49 117.51 121.18 1vr4 h ILE 18 Ca -0.25 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 64.75 1vr4 h ILE 18 Cb 1.11 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 36.97 1vr4 h ILE 18 CO 0.82 0.00 0.64 -0.62 0.00 0.00 0.00 178.15 178.99 1vr4 s ASP 19 N -5.72 -0.28 0.12 1.72 3.68 -1.17 -5.02 116.67 110.00 1vr4 s ASP 19 Ca -0.14 0.23 -0.30 0.00 2.13 0.00 0.00 52.55 54.47 1vr4 s ASP 19 Cb 0.02 0.25 -0.07 0.00 -1.45 0.00 0.00 42.92 41.67 1vr4 s ASP 19 CO 0.21 -0.32 1.19 -0.63 0.13 0.00 0.00 175.17 175.75 1vr4 s ILE 20 N -1.56 3.83 0.07 4.11 1.01 -1.26 -0.77 121.20 126.63 1vr4 s ILE 20 Ca 0.02 1.42 0.09 0.00 0.00 0.00 0.00 60.65 62.18 1vr4 s ILE 20 Cb -0.01 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1vr4 s ILE 20 CO -0.02 0.17 -0.24 0.68 0.00 0.00 0.00 174.94 175.53 1vr4 s VAL 21 N 0.50 1.94 0.06 2.92 -7.23 0.14 -4.92 120.40 113.82 1vr4 s VAL 21 Ca 0.56 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1vr4 s VAL 21 Cb -0.31 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1vr4 s VAL 21 CO 0.33 0.18 -0.09 0.20 -0.31 0.00 0.00 175.10 175.40 1vr4 s ASN 22 N -1.53 1.05 0.04 4.85 0.01 -1.26 -1.71 114.94 116.39 1vr4 s ASN 22 Ca 0.10 -0.64 0.03 0.00 -0.71 0.00 0.00 52.86 51.64 1vr4 s ASN 22 Cb -0.10 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 1vr4 s ASN 22 CO 0.03 -0.23 -0.09 -0.83 -1.51 0.00 0.00 177.10 174.47 1vr4 s GLY 23 N -1.86 0.57 0.05 0.66 0.00 0.03 -4.32 107.32 102.46 1vr4 s GLY 23 Ca -0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 1vr4 s GLY 23 CO -0.00 -0.79 0.08 -0.54 0.00 0.00 0.00 173.10 171.85 1vr4 s GLU 24 N -1.42 0.64 -0.04 2.90 8.01 -1.26 -0.18 118.70 127.35 1vr4 s GLU 24 Ca -0.06 -0.92 -0.22 0.00 0.01 0.00 0.00 54.97 53.78 1vr4 s GLU 24 Cb -0.09 0.25 0.04 0.00 -4.31 0.00 0.00 34.13 30.02 1vr4 s GLU 24 CO 0.01 -0.16 0.47 0.00 0.01 0.00 0.00 175.26 175.59 1vr4 s ALA 25 N -3.21 -1.21 -0.17 5.21 0.00 -1.04 -4.55 121.76 116.80 1vr4 s ALA 25 Ca 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 1vr4 s ALA 25 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1vr4 s ALA 25 CO -0.07 -0.30 -0.07 0.42 0.00 0.00 0.00 175.76 175.74 1vr4 s ILE 26 N -1.21 3.49 0.45 0.00 1.01 -1.26 -1.67 121.20 122.01 1vr4 s ILE 26 Ca -0.12 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 1vr4 s ILE 26 Cb -0.03 -2.53 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 1vr4 s ILE 26 CO 0.06 0.48 0.65 0.23 0.00 0.00 0.00 174.94 176.37 1vr4 n MET 27 N 3.90 0.73 -1.63 2.79 2.81 -1.19 -4.79 117.12 119.73 1vr4 n MET 27 Ca -0.18 0.27 -0.31 0.00 -1.81 0.00 0.00 57.70 55.67 1vr4 n MET 27 Cb 0.52 -1.67 0.06 0.00 -0.71 0.00 0.00 33.22 31.42 1vr4 n MET 27 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1vr4 s GLY 28 N -0.95 1.65 0.94 3.03 0.00 -1.20 -4.69 107.32 106.10 1vr4 s GLY 28 Ca 0.65 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1vr4 s GLY 28 CO 0.57 0.28 1.09 0.00 0.00 0.00 0.00 173.10 175.04 1vr4 s ALA 29 N -3.12 1.20 0.20 3.20 0.00 -1.26 -4.29 121.76 117.69 1vr4 s ALA 29 Ca 0.58 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1vr4 s ALA 29 Cb -0.13 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1vr4 s ALA 29 CO 0.54 -2.65 1.24 1.21 0.00 0.00 0.00 175.76 176.10 1vr4 s ASN 30 N -3.17 7.01 -0.08 0.00 3.84 -1.26 -0.64 114.94 120.65 1vr4 s ASN 30 Ca 0.65 2.31 -0.06 0.00 0.21 0.00 0.00 52.86 55.96 1vr4 s ASN 30 Cb -0.20 -2.61 -0.02 0.00 -0.55 0.00 0.00 41.25 37.87 1vr4 s ASN 30 CO 0.58 -0.42 -0.12 -0.38 -2.79 0.00 0.00 177.10 173.96 1vr4 n ILE 31 N 2.44 0.76 -3.66 -5.21 5.41 -0.05 -4.87 119.36 114.18 1vr4 n ILE 31 Ca 0.05 0.34 -0.08 0.00 1.00 0.00 0.00 62.75 64.05 1vr4 n ILE 31 Cb 0.44 -1.96 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 1vr4 n ILE 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1vr4 s VAL 32 N -1.77 -0.09 0.00 1.39 0.11 -1.14 -5.03 120.40 113.86 1vr4 s VAL 32 Ca -0.10 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1vr4 s VAL 32 Cb 0.01 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1vr4 s VAL 32 CO 0.15 0.02 0.00 0.54 -3.33 0.00 0.00 175.10 172.48 1vr4 n ARG 33 N 4.41 0.00 0.00 1.54 5.12 -1.26 -0.48 116.66 125.99 1vr4 n ARG 33 Ca -0.20 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.81 1vr4 n ARG 33 Cb 0.56 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 32.41 1vr4 n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1vr4 n ASP 34 N 3.29 0.00 -4.70 0.55 9.92 -1.26 -4.83 116.55 119.52 1vr4 n ASP 34 Ca 0.00 -1.33 -0.38 0.00 -0.53 0.00 0.00 54.79 52.55 1vr4 n ASP 34 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1vr4 n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1vr4 s LEU 35 N -1.61 4.23 0.06 0.64 1.43 0.37 -3.97 118.68 119.83 1vr4 s LEU 35 Ca 0.28 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 1vr4 s LEU 35 Cb 0.13 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1vr4 s LEU 35 CO 0.21 -0.07 -0.25 -0.36 0.23 0.00 0.00 176.35 176.11 1vr4 s PHE 36 N 1.00 2.20 0.29 0.29 0.40 0.16 -0.88 117.98 121.45 1vr4 s PHE 36 Ca 0.26 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1vr4 s PHE 36 Cb -0.15 -1.30 -0.09 0.00 0.51 0.00 0.00 43.02 41.99 1vr4 s PHE 36 CO 0.10 0.15 1.05 0.00 0.70 0.00 0.00 175.22 177.22 1vr4 s ALA 37 N -0.84 3.34 0.38 5.36 0.00 0.19 -1.24 121.76 128.95 1vr4 s ALA 37 Ca 0.11 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 1vr4 s ALA 37 Cb -0.10 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1vr4 s ALA 37 CO 0.03 -0.07 1.12 0.45 0.00 0.00 0.00 175.76 177.28 1vr4 n SER 38 N 1.08 1.82 0.18 0.00 2.88 -1.25 -3.23 113.62 115.09 1vr4 n SER 38 Ca -0.00 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 1vr4 n SER 38 Cb 0.46 -1.39 0.62 0.00 -0.75 0.00 0.00 64.21 63.14 1vr4 n SER 38 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1vr4 h VAL 39 N 1.94 0.00 0.00 2.46 2.07 -1.88 -3.39 116.25 117.44 1vr4 h VAL 39 Ca -0.44 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1vr4 h VAL 39 Cb 1.32 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1vr4 h VAL 39 CO 0.59 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.79 1vr4 n GLY 44 N -0.70 0.00 3.76 2.17 0.00 -1.26 -4.82 105.19 104.34 1vr4 n GLY 44 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1vr4 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vr4 s GLY 45 N 0.00 2.82 -0.12 -0.02 0.00 -1.26 -5.04 107.32 103.71 1vr4 s GLY 45 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 1vr4 s GLY 45 CO 0.00 1.58 0.03 0.50 0.00 0.00 0.00 173.10 175.21 1vr4 s ARG 46 N -2.76 3.31 0.49 2.90 0.52 -1.26 -4.89 118.95 117.26 1vr4 s ARG 46 Ca 0.66 -0.37 -0.21 0.00 -0.52 0.00 0.00 55.73 55.30 1vr4 s ARG 46 Cb -0.33 -2.94 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1vr4 s ARG 46 CO 0.40 0.58 1.09 0.00 0.02 0.00 0.00 175.30 177.39 1vr4 s ALA 47 N -0.54 2.85 0.00 2.13 0.00 -1.26 -3.88 121.76 121.06 1vr4 s ALA 47 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1vr4 s ALA 47 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vr4 s ALA 47 CO 0.02 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1vr4 n GLY 48 N 0.05 2.35 3.69 0.00 0.00 -0.38 -4.95 105.19 105.96 1vr4 n GLY 48 Ca 0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 0.64 3.14 0.18 1.61 1.04 -1.26 0.40 113.70 119.45 1vr4 s SER 49 Ca 0.00 1.57 -0.13 0.00 0.48 0.00 0.00 55.95 57.88 1vr4 s SER 49 Cb 0.00 -2.24 0.18 0.00 0.10 0.00 0.00 66.02 64.06 1vr4 s SER 49 CO 0.00 -2.86 1.75 0.22 0.98 0.00 0.00 173.24 173.33 1vr4 h TYR 50 N -1.70 0.31 -0.32 5.02 3.20 -1.95 -2.04 116.97 119.49 1vr4 h TYR 50 Ca -0.50 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.30 1vr4 h TYR 50 Cb 1.29 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1vr4 h TYR 50 CO 0.42 0.09 -0.22 0.93 -1.64 0.00 0.00 178.16 177.75 1vr4 h GLU 51 N 0.35 0.60 -0.16 1.82 5.08 -1.95 -0.22 114.58 120.11 1vr4 h GLU 51 Ca 0.24 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1vr4 h GLU 51 Cb 0.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1vr4 h GLU 51 CO -0.25 0.78 0.03 0.77 -1.00 0.00 0.00 179.01 179.34 1vr4 h SER 52 N 0.54 0.25 -0.47 1.42 0.02 -1.84 -1.58 113.55 111.88 1vr4 h SER 52 Ca 0.08 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 1vr4 h SER 52 Cb 0.66 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1vr4 h SER 52 CO 0.05 0.43 0.07 0.11 -1.14 0.00 0.00 176.83 176.36 1vr4 h LYS 53 N 0.05 0.84 0.08 3.45 6.56 -1.30 -1.54 116.57 124.71 1vr4 h LYS 53 Ca 0.05 -0.20 -0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1vr4 h LYS 53 Cb 0.29 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1vr4 h LYS 53 CO 0.00 0.80 -0.04 1.25 -2.06 0.00 0.00 179.45 179.40 1vr4 h LEU 54 N 0.80 -0.09 -0.77 2.94 6.46 -0.91 -0.86 115.31 122.88 1vr4 h LEU 54 Ca 0.17 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1vr4 h LEU 54 Cb 0.37 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.26 1vr4 h LEU 54 CO 0.01 0.02 0.43 0.50 -0.62 0.00 0.00 178.44 178.79 1vr4 h LYS 55 N -0.20 0.74 -0.12 1.25 3.64 -1.13 -1.22 116.57 119.53 1vr4 h LYS 55 Ca -0.01 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1vr4 h LYS 55 Cb 0.17 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1vr4 h LYS 55 CO 0.02 0.49 -0.02 1.49 -2.27 0.00 0.00 179.45 179.15 1vr4 h GLU 56 N 0.76 0.01 -0.78 1.90 4.81 -0.96 0.12 114.58 120.44 1vr4 h GLU 56 Ca 0.36 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1vr4 h GLU 56 Cb 0.29 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1vr4 h GLU 56 CO -0.22 0.01 0.45 0.00 -0.73 0.00 0.00 179.01 178.52 1vr4 h ALA 57 N 1.12 0.99 -0.60 2.92 0.00 -0.72 -1.21 119.26 121.76 1vr4 h ALA 57 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1vr4 h ALA 57 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1vr4 h ALA 57 CO -0.12 0.48 0.08 -0.09 0.00 0.00 0.00 179.25 179.60 1vr4 h ARG 58 N 1.07 0.98 -0.44 0.00 2.43 -1.06 0.17 114.38 117.54 1vr4 h ARG 58 Ca 0.28 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1vr4 h ARG 58 Cb -0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1vr4 h ARG 58 CO -0.05 0.92 0.26 -0.44 -1.51 0.00 0.00 179.97 179.15 1vr4 h ASP 59 N 0.92 0.53 -0.25 -3.80 3.32 -0.67 -0.69 116.42 115.78 1vr4 h ASP 59 Ca 0.18 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1vr4 h ASP 59 Cb 0.43 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1vr4 h ASP 59 CO 0.01 0.43 0.13 0.40 -1.72 0.00 0.00 179.24 178.49 1vr4 h ILE 60 N 0.58 1.13 -0.46 0.35 2.04 -0.92 -1.66 117.51 118.57 1vr4 h ILE 60 Ca 0.16 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1vr4 h ILE 60 Cb -0.00 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1vr4 h ILE 60 CO -0.03 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.37 1vr4 h ALA 61 N 1.01 0.53 -0.52 1.87 0.00 -0.84 -0.88 119.26 120.42 1vr4 h ALA 61 Ca 0.09 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1vr4 h ALA 61 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1vr4 h ALA 61 CO -0.01 -0.28 0.08 1.98 0.00 0.00 0.00 179.25 181.02 1vr4 h MET 62 N 0.27 0.87 -0.26 0.00 -1.53 -0.98 -2.28 114.93 111.02 1vr4 h MET 62 Ca 0.22 -0.24 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 1vr4 h MET 62 Cb 0.26 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.20 1vr4 h MET 62 CO -0.26 0.85 0.07 -0.44 0.14 0.00 0.00 176.91 177.28 1vr4 h ASP 63 N 0.75 0.38 -1.00 1.39 3.45 -1.11 -2.08 116.42 118.21 1vr4 h ASP 63 Ca 0.16 -0.21 0.10 0.00 0.43 0.00 0.00 57.03 57.50 1vr4 h ASP 63 Cb 0.41 -0.10 -0.08 0.00 -0.56 0.00 0.00 39.33 39.00 1vr4 h ASP 63 CO 0.01 0.50 0.64 -0.08 -1.57 0.00 0.00 179.24 178.74 1vr4 h GLU 64 N 0.25 1.04 0.02 3.56 4.81 -1.06 0.36 114.58 123.56 1vr4 h GLU 64 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vr4 h GLU 64 Cb 0.26 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1vr4 h GLU 64 CO -0.00 0.68 -0.01 1.98 -0.73 0.00 0.00 179.01 180.93 1vr4 h MET 65 N 1.07 -0.03 -0.58 1.92 4.05 -1.31 -2.04 114.93 118.00 1vr4 h MET 65 Ca 0.47 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 60.00 1vr4 h MET 65 Cb 0.36 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.09 1vr4 h MET 65 CO -0.23 0.44 0.15 0.87 0.23 0.00 0.00 176.91 178.37 1vr4 h LYS 66 N -0.51 0.28 -0.41 0.39 1.57 -1.23 -0.39 116.57 116.27 1vr4 h LYS 66 Ca -0.00 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1vr4 h LYS 66 Cb 0.49 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1vr4 h LYS 66 CO 0.00 0.18 -0.01 1.49 -0.57 0.00 0.00 179.45 180.55 1vr4 h GLU 67 N 0.29 0.09 -0.55 3.15 4.81 -0.17 0.55 114.58 122.74 1vr4 h GLU 67 Ca 0.30 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1vr4 h GLU 67 Cb 0.43 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1vr4 h GLU 67 CO -0.37 0.06 -0.00 1.25 -0.73 0.00 0.00 179.01 179.22 1vr4 h LEU 68 N 0.09 0.91 -0.44 1.64 5.85 -1.03 -2.69 115.31 119.65 1vr4 h LEU 68 Ca 0.20 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1vr4 h LEU 68 Cb 0.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1vr4 h LEU 68 CO -0.35 0.97 0.27 0.00 -0.34 0.00 0.00 178.44 178.99 1vr4 h ALA 69 N 1.12 0.57 -0.45 1.25 0.00 -0.03 -2.63 119.26 119.08 1vr4 h ALA 69 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1vr4 h ALA 69 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1vr4 h ALA 69 CO 0.03 0.06 -0.09 0.87 0.00 0.00 0.00 179.25 180.11 1vr4 h LYS 70 N 0.59 0.86 0.00 0.00 1.57 -0.83 -1.64 116.57 117.12 1vr4 h LYS 70 Ca 0.16 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1vr4 h LYS 70 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1vr4 h LYS 70 CO -0.03 0.96 -0.11 -0.56 -0.57 0.00 0.00 179.45 179.14 1vr4 h GLN 71 N 0.70 0.00 -0.46 3.15 3.07 -1.44 0.20 115.11 120.33 1vr4 h GLN 71 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1vr4 h GLN 71 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1vr4 h GLN 71 CO 0.04 0.11 0.00 1.63 0.09 0.00 0.00 178.83 180.70 1vr4 n LYS 72 N -3.64 1.77 -2.21 0.06 5.02 -1.00 -4.91 118.16 113.24 1vr4 n LYS 72 Ca -0.02 -0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 55.26 1vr4 n LYS 72 Cb 0.23 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 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 0.61 -0.09 3.86 0.72 0.00 0.70 -5.03 105.19 105.97 1vr4 n GLY 73 Ca 0.08 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.73 3.38 -0.11 4.61 0.00 -0.64 -4.84 121.76 121.43 1vr4 s ALA 74 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 51.96 52.05 1vr4 s ALA 74 Cb 0.00 -2.68 0.25 0.00 0.00 0.00 0.00 23.12 20.69 1vr4 s ALA 74 CO 0.00 0.33 1.13 0.27 0.00 0.00 0.00 175.76 177.49 1vr4 n ASN 75 N -0.45 2.31 -3.58 0.00 0.23 -0.83 -4.41 115.26 108.53 1vr4 n ASN 75 Ca 0.03 -2.93 -0.13 0.00 -0.53 0.00 0.00 54.58 51.02 1vr4 n ASN 75 Cb 0.53 -0.37 -0.06 0.00 -2.08 0.00 0.00 39.78 37.80 1vr4 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vr4 s ALA 76 N -2.60 -1.88 -0.11 -2.53 0.00 -0.97 -3.52 121.76 110.15 1vr4 s ALA 76 Ca 0.27 1.62 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1vr4 s ALA 76 Cb 0.24 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1vr4 s ALA 76 CO 0.03 -0.31 -0.17 0.42 0.00 0.00 0.00 175.76 175.72 1vr4 s ILE 77 N -0.70 1.60 0.31 0.00 1.01 -0.34 0.13 121.20 123.20 1vr4 s ILE 77 Ca -0.03 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1vr4 s ILE 77 Cb -0.02 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 1vr4 s ILE 77 CO 0.02 0.46 -0.07 -0.69 0.00 0.00 0.00 174.94 174.67 1vr4 s VAL 78 N 0.85 1.84 -1.44 2.92 1.01 -0.49 -1.51 120.40 123.57 1vr4 s VAL 78 Ca -0.09 -2.14 -0.09 0.00 0.00 0.00 0.00 61.98 59.65 1vr4 s VAL 78 Cb -0.15 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1vr4 s VAL 78 CO 0.00 -0.25 1.01 0.61 0.00 0.00 0.00 175.10 176.47 1vr4 n GLY 79 N -0.67 -0.53 3.77 4.51 0.00 0.73 -0.51 105.19 112.49 1vr4 n GLY 79 Ca -0.05 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.27 3.19 -0.07 1.61 1.01 -0.27 -4.30 120.40 118.29 1vr4 s VAL 80 Ca 0.55 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.37 1vr4 s VAL 80 Cb -0.25 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1vr4 s VAL 80 CO 0.68 0.02 0.23 -0.62 0.00 0.00 0.00 175.10 175.41 1vr4 s ASP 81 N -1.31 -0.21 -0.11 3.32 2.15 -0.03 -4.40 116.67 116.07 1vr4 s ASP 81 Ca 0.61 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.96 1vr4 s ASP 81 Cb -0.28 0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.76 1vr4 s ASP 81 CO 0.35 -0.15 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.35 1vr4 s VAL 82 N -0.19 2.86 0.08 1.11 1.01 -1.26 -1.03 120.40 122.98 1vr4 s VAL 82 Ca -0.03 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1vr4 s VAL 82 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1vr4 s VAL 82 CO 0.01 0.54 -0.25 -1.81 0.00 0.00 0.00 175.10 173.59 1vr4 s ASP 83 N 0.17 3.05 0.02 3.32 1.01 0.14 -4.98 116.67 119.40 1vr4 s ASP 83 Ca -0.09 -0.65 0.06 0.00 0.71 0.00 0.00 52.55 52.58 1vr4 s ASP 83 Cb -0.15 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.52 1vr4 s ASP 83 CO 0.05 0.19 -0.18 -0.31 0.21 0.00 0.00 175.17 175.14 1vr4 s TYR 84 N -0.94 1.55 -0.27 4.23 1.51 -1.26 -1.04 117.35 121.13 1vr4 s TYR 84 Ca 0.11 -0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 55.62 1vr4 s TYR 84 Cb -0.10 -0.95 0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1vr4 s TYR 84 CO 0.04 0.03 0.70 -2.00 -1.11 0.00 0.00 175.55 173.21 1vr4 s GLU 85 N -0.84 0.79 0.18 -0.62 2.56 -0.89 -5.02 118.70 114.85 1vr4 s GLU 85 Ca 0.06 1.06 -0.30 0.00 0.00 0.00 0.00 54.97 55.78 1vr4 s GLU 85 Cb -0.08 0.32 -0.07 0.00 2.00 0.00 0.00 34.13 36.30 1vr4 s GLU 85 CO 0.01 -0.11 1.06 0.08 -0.56 0.00 0.00 175.26 175.74 1vr4 s VAL 86 N 0.76 3.97 0.00 3.70 1.01 -1.26 -2.29 120.40 126.29 1vr4 s VAL 86 Ca -0.03 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1vr4 s VAL 86 Cb -0.05 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1vr4 s VAL 86 CO -0.05 0.31 0.00 1.33 0.00 0.00 0.00 175.10 176.68 1vr4 n VAL 87 N 2.32 0.00 -1.52 2.92 0.24 -0.80 -4.93 118.33 116.56 1vr4 n VAL 87 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 1vr4 n VAL 87 Cb 0.47 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.71 1vr4 n VAL 87 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1vr4 n ARG 88 N 0.00 0.32 -3.54 7.34 1.85 -1.26 -3.54 116.66 117.82 1vr4 n ARG 88 Ca 0.00 -0.60 -0.25 0.00 -1.00 0.00 0.00 57.85 56.00 1vr4 n ARG 88 Cb 0.00 -2.72 0.01 0.00 -1.05 0.00 0.00 32.46 28.71 1vr4 n ARG 88 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1vr4 n ASP 89 N 13.91 -5.66 -1.67 2.89 9.92 -1.26 -4.50 116.55 130.18 1vr4 n ASP 89 Ca 0.52 -0.49 -0.01 0.00 -0.53 0.00 0.00 54.79 54.28 1vr4 n ASP 89 Cb 0.34 -2.41 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 1vr4 n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vr4 n GLY 90 N -1.10 -1.84 0.00 0.44 0.00 -1.23 -5.11 105.19 96.35 1vr4 n GLY 90 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1vr4 n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vr4 n MET 91 N -0.20 0.00 -2.77 1.61 2.81 -1.26 -4.82 117.12 112.49 1vr4 n MET 91 Ca 0.01 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1vr4 n MET 91 Cb 0.03 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.51 1vr4 n MET 91 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1vr4 s LEU 92 N 0.00 4.13 0.19 4.03 2.96 -1.26 -1.91 118.68 126.82 1vr4 s LEU 92 Ca 0.00 -1.09 -0.32 0.00 -0.22 0.00 0.00 54.13 52.49 1vr4 s LEU 92 Cb 0.00 -2.46 -0.12 0.00 0.50 0.00 0.00 46.19 44.11 1vr4 s LEU 92 CO 0.00 -1.48 1.72 0.80 -1.32 0.00 0.00 176.35 176.08 1vr4 n MET 93 N 8.01 2.69 -4.09 1.98 0.00 -0.97 -3.18 117.12 121.56 1vr4 n MET 93 Ca 0.06 0.97 -0.33 0.00 -0.00 0.00 0.00 57.70 58.40 1vr4 n MET 93 Cb 0.47 -2.82 -0.07 0.00 0.00 0.00 0.00 33.22 30.81 1vr4 n MET 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1vr4 s VAL 94 N 1.41 4.77 -0.05 1.12 1.01 -0.67 -2.10 120.40 125.89 1vr4 s VAL 94 Ca 0.77 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1vr4 s VAL 94 Cb -0.53 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1vr4 s VAL 94 CO 0.34 0.35 0.12 0.00 0.00 0.00 0.00 175.10 175.91 1vr4 s ALA 95 N -1.20 -0.21 -0.03 5.51 0.00 -0.21 -2.51 121.76 123.12 1vr4 s ALA 95 Ca 0.23 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.83 1vr4 s ALA 95 Cb -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1vr4 s ALA 95 CO 0.14 -0.13 -0.25 0.08 0.00 0.00 0.00 175.76 175.60 1vr4 s VAL 96 N 0.99 2.02 0.08 0.00 1.01 0.75 -0.68 120.40 124.57 1vr4 s VAL 96 Ca -0.08 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.85 1vr4 s VAL 96 Cb -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1vr4 s VAL 96 CO -0.05 0.57 -0.09 -0.55 0.00 0.00 0.00 175.10 174.98 1vr4 s SER 97 N -0.50 1.24 -0.06 3.32 0.15 -0.19 -0.79 113.70 116.87 1vr4 s SER 97 Ca 0.07 -0.79 -0.31 0.00 0.70 0.00 0.00 55.95 55.61 1vr4 s SER 97 Cb -0.11 0.03 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 1vr4 s SER 97 CO 0.00 -0.29 1.15 -0.83 1.20 0.00 0.00 173.24 174.47 1vr4 s GLY 98 N -2.37 -0.35 -0.28 9.45 0.00 -0.70 -0.85 107.32 112.22 1vr4 s GLY 98 Ca 0.03 1.01 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 1vr4 s GLY 98 CO -0.01 0.30 0.04 -1.59 0.00 0.00 0.00 173.10 171.83 1vr4 s THR 99 N -2.65 3.66 -0.03 0.90 2.01 0.33 -0.68 115.64 119.18 1vr4 s THR 99 Ca 0.11 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1vr4 s THR 99 Cb 0.01 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1vr4 s THR 99 CO -0.04 0.13 0.93 0.00 -0.69 0.00 0.00 174.62 174.96 1vr4 s ALA 100 N 1.46 3.24 0.09 7.40 0.00 0.05 -1.40 121.76 132.59 1vr4 s ALA 100 Ca 0.02 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1vr4 s ALA 100 Cb -0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1vr4 s ALA 100 CO 0.00 -0.28 -0.07 0.14 0.00 0.00 0.00 175.76 175.55 1vr4 s VAL 101 N 1.17 0.69 -0.25 0.00 -7.23 0.12 -1.09 120.40 113.82 1vr4 s VAL 101 Ca 0.49 -1.71 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 1vr4 s VAL 101 Cb -0.20 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 1vr4 s VAL 101 CO 0.24 -0.72 0.15 -0.60 -0.31 0.00 0.00 175.10 173.86 1vr4 s ARG 102 N -3.19 3.93 0.00 4.82 6.06 0.45 -1.96 118.95 129.05 1vr4 s ARG 102 Ca 0.06 -0.34 0.00 0.00 -2.50 0.00 0.00 55.73 52.95 1vr4 s ARG 102 Cb 0.01 -3.52 0.00 0.00 0.06 0.00 0.00 34.95 31.50 1vr4 s ARG 102 CO -0.03 -0.06 0.38 0.44 -2.50 0.00 0.00 175.30 173.52