#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w7x h VAL 92 N 0.00 0.57 -3.68 0.00 3.04 -1.98 -3.11 116.25 111.10 1w7x h VAL 92 Ca -0.00 -1.34 -0.66 0.00 -1.01 0.00 0.00 66.70 63.70 1w7x h VAL 92 Cb 0.41 1.92 -0.17 0.00 -2.01 0.00 0.00 31.29 31.44 1w7x h VAL 92 CO 0.03 0.26 -0.28 0.21 -1.01 0.00 0.00 177.57 176.78 1w7x s ASN 93 N -6.24 6.19 -1.66 3.17 3.84 -0.96 -4.49 114.94 114.79 1w7x s ASN 93 Ca 0.02 -0.16 -0.17 0.00 0.21 0.00 0.00 52.86 52.76 1w7x s ASN 93 Cb 0.09 -2.20 0.14 0.00 -0.55 0.00 0.00 41.25 38.73 1w7x s ASN 93 CO 0.66 -0.32 0.84 -0.62 -2.79 0.00 0.00 177.10 174.87 1w7x n GLU 94 N 5.38 -3.77 -1.76 0.43 1.02 -1.26 -0.94 120.64 119.74 1w7x n GLU 94 Ca -0.09 0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 57.28 1w7x n GLU 94 Cb 0.50 -5.20 -0.07 0.00 -0.02 0.00 0.00 31.44 26.65 1w7x n GLU 94 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1w7x n ASN 95 N -2.70 -5.32 -0.66 1.62 5.15 -1.20 -1.24 115.26 110.90 1w7x n ASN 95 Ca 0.06 0.38 -0.09 0.00 -0.60 0.00 0.00 54.58 54.34 1w7x n ASN 95 Cb 0.50 -4.66 -0.04 0.00 -0.53 0.00 0.00 39.78 35.06 1w7x n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1w7x n GLY 96 N -0.51 0.93 1.99 8.20 0.00 -0.11 -1.41 105.19 114.27 1w7x n GLY 96 Ca -0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1w7x n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w7x n GLY 97 N -0.55 1.80 3.77 -0.02 0.00 -0.38 -4.88 105.19 104.93 1w7x n GLY 97 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1w7x n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w7x h GLU 99 N 2.44 0.89 0.00 0.00 4.81 -1.45 -3.46 114.58 117.81 1w7x h GLU 99 Ca -0.49 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.19 1w7x h GLU 99 Cb 1.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1w7x h GLU 99 CO 0.62 1.19 0.00 1.04 -0.73 0.00 0.00 179.01 181.13 1w7x n GLN 100 N -4.01 0.00 -3.54 1.92 6.02 -1.26 -5.03 117.38 111.49 1w7x n GLN 100 Ca -0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 1w7x n GLN 100 Cb 0.63 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.85 1w7x n GLN 100 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1w7x s TYR 101 N 1.59 3.48 -0.02 1.08 2.02 -0.78 -4.94 117.35 119.78 1w7x s TYR 101 Ca 0.00 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 1w7x s TYR 101 Cb 0.00 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1w7x s TYR 101 CO 0.00 0.30 -0.01 0.00 -1.57 0.00 0.00 175.55 174.27 1w7x s SER 103 N 0.65 2.62 0.32 0.00 0.01 0.65 -4.98 113.70 112.98 1w7x s SER 103 Ca -0.07 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.52 1w7x s SER 103 Cb -0.10 -1.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.91 1w7x s SER 103 CO -0.01 0.13 0.85 -1.81 0.41 0.00 0.00 173.24 172.81 1w7x s ASP 104 N 0.37 7.07 0.15 2.44 1.01 -1.26 -0.75 116.67 125.70 1w7x s ASP 104 Ca -0.15 1.60 0.00 0.00 0.71 0.00 0.00 52.55 54.71 1w7x s ASP 104 Cb -0.16 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1w7x s ASP 104 CO 0.06 -0.13 0.00 1.41 0.21 0.00 0.00 175.17 176.72 1w7x n HIS 105 N 0.16 -1.07 -0.51 4.23 8.25 -1.26 -4.93 115.22 120.08 1w7x n HIS 105 Ca 0.02 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1w7x n HIS 105 Cb 0.52 0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1w7x n HIS 105 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1w7x n LYS 109 N -3.24 -1.44 -3.74 -0.41 5.02 -1.26 -5.12 118.16 107.98 1w7x n LYS 109 Ca 0.00 1.08 -0.12 0.00 -2.02 0.00 0.00 58.31 57.25 1w7x n LYS 109 Cb 0.07 -1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 1w7x n LYS 109 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1w7x s ARG 110 N -5.05 0.24 -0.14 1.97 3.00 -1.26 -4.93 118.95 112.78 1w7x s ARG 110 Ca 0.00 0.51 0.02 0.00 -1.00 0.00 0.00 55.73 55.26 1w7x s ARG 110 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 34.95 34.91 1w7x s ARG 110 CO 0.00 -0.13 -0.20 -1.12 0.00 0.00 0.00 175.30 173.84 1w7x s SER 111 N 1.01 2.99 0.31 -2.12 0.01 0.07 -4.99 113.70 110.98 1w7x s SER 111 Ca -0.07 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.50 1w7x s SER 111 Cb -0.08 -1.38 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 1w7x s SER 111 CO -0.07 0.05 0.67 0.00 0.41 0.00 0.00 173.24 174.30 1w7x s ARG 113 N -3.16 1.03 0.13 0.00 0.52 0.39 -4.96 118.95 112.90 1w7x s ARG 113 Ca 0.51 -1.49 0.09 0.00 -0.52 0.00 0.00 55.73 54.31 1w7x s ARG 113 Cb -0.11 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1w7x s ARG 113 CO 0.22 -0.18 -0.20 0.00 0.02 0.00 0.00 175.30 175.17 1w7x n HIS 115 N 0.70 0.84 -1.56 0.00 -0.00 -1.26 -4.87 115.22 109.07 1w7x n HIS 115 Ca -0.16 0.40 -0.43 0.00 0.46 0.00 0.00 57.72 57.98 1w7x n HIS 115 Cb 0.55 -2.00 -0.00 0.00 -0.12 0.00 0.00 29.99 28.41 1w7x n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1w7x n GLU 116 N -4.11 1.12 -0.69 1.57 2.13 -1.26 -2.04 120.64 117.37 1w7x n GLU 116 Ca 0.12 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1w7x n GLU 116 Cb 0.52 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1w7x n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w7x n GLY 117 N 1.36 0.70 3.16 8.31 0.00 -1.26 -4.70 105.19 112.75 1w7x n GLY 117 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1w7x n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w7x s TYR 118 N -2.34 0.85 0.10 1.61 1.51 -0.87 -0.42 117.35 117.81 1w7x s TYR 118 Ca 0.00 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1w7x s TYR 118 Cb 0.00 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1w7x s TYR 118 CO 0.00 -0.16 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.62 1w7x s SER 119 N -2.92 1.65 0.06 2.29 1.04 0.06 -4.76 113.70 111.12 1w7x s SER 119 Ca 0.10 -0.78 -0.26 0.00 0.48 0.00 0.00 55.95 55.49 1w7x s SER 119 Cb 0.04 -0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 1w7x s SER 119 CO -0.05 -0.20 0.81 -0.22 0.98 0.00 0.00 173.24 174.57 1w7x s LEU 120 N -2.33 4.46 0.71 2.42 2.96 -1.26 -0.99 118.68 124.65 1w7x s LEU 120 Ca 0.05 1.53 -0.10 0.00 -0.22 0.00 0.00 54.13 55.39 1w7x s LEU 120 Cb -0.05 -3.31 0.03 0.00 0.50 0.00 0.00 46.19 43.37 1w7x s LEU 120 CO 0.01 -0.00 1.08 -0.76 -1.32 0.00 0.00 176.35 175.36 1w7x s LEU 121 N -0.04 2.85 0.47 -0.68 1.43 0.68 -4.93 118.68 118.45 1w7x s LEU 121 Ca 0.40 0.91 0.32 0.00 -1.03 0.00 0.00 54.13 54.73 1w7x s LEU 121 Cb -0.21 -3.62 1.65 0.00 0.03 0.00 0.00 46.19 44.04 1w7x s LEU 121 CO 0.24 -1.46 1.97 0.00 0.23 0.00 0.00 176.35 177.33 1w7x h ALA 122 N -0.67 1.00 0.00 4.21 0.00 -1.97 0.15 119.26 121.99 1w7x h ALA 122 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1w7x h ALA 122 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1w7x h ALA 122 CO 0.63 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1w7x n ASP 123 N -2.65 0.33 0.00 0.00 5.68 -1.26 -4.88 116.55 113.77 1w7x n ASP 123 Ca -0.01 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1w7x n ASP 123 Cb 0.09 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1w7x n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1w7x n GLY 124 N -0.21 0.67 0.00 6.12 0.00 0.54 -4.79 105.19 107.51 1w7x n GLY 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1w7x n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1w7x n VAL 125 N -2.42 0.00 -3.18 1.61 0.24 -1.26 -4.14 118.33 109.17 1w7x n VAL 125 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 1w7x n VAL 125 Cb 0.03 -0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 31.84 1w7x n VAL 125 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1w7x s SER 126 N -2.60 6.84 -0.09 -1.34 0.01 -1.26 -1.14 113.70 114.12 1w7x s SER 126 Ca 0.00 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.56 1w7x s SER 126 Cb 0.00 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1w7x s SER 126 CO 0.00 -0.10 -0.21 0.00 0.41 0.00 0.00 173.24 173.34 1w7x s THR 128 N 0.08 1.84 0.39 0.00 -1.32 -0.16 -4.92 115.64 111.55 1w7x s THR 128 Ca -0.09 -0.98 -0.27 0.00 -1.21 0.00 0.00 61.69 59.14 1w7x s THR 128 Cb -0.15 -1.54 -0.11 0.00 -1.51 0.00 0.00 72.50 69.19 1w7x s THR 128 CO 0.06 0.52 1.37 -2.65 -2.21 0.00 0.00 174.62 171.71 1w7x n PRO 129 N 2.68 2.29 0.00 7.08 -0.02 -1.26 -0.76 135.00 145.00 1w7x n PRO 129 Ca -0.16 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 1w7x n PRO 129 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1w7x n PRO 129 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1w7x n THR 130 N 0.17 0.00 -4.49 3.45 -2.24 0.45 -4.80 114.28 106.80 1w7x n THR 130 Ca 0.04 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 1w7x n THR 130 Cb 0.39 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1w7x n THR 130 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1w7x s VAL 131 N -1.61 1.45 0.19 2.28 -7.23 -1.24 -5.01 120.40 109.22 1w7x s VAL 131 Ca 0.06 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1w7x s VAL 131 Cb 0.07 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1w7x s VAL 131 CO 0.31 -0.02 1.55 -0.08 -0.31 0.00 0.00 175.10 176.55 1w7x h GLU 132 N 2.04 0.76 -2.15 4.82 4.81 -1.96 -3.36 114.58 119.53 1w7x h GLU 132 Ca -0.42 -0.38 -0.59 0.00 -0.13 0.00 0.00 59.36 57.85 1w7x h GLU 132 Cb 1.24 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.21 1w7x h GLU 132 CO 0.73 1.00 -0.73 0.66 -0.73 0.00 0.00 179.01 179.93 1w7x n TYR 133 N -4.05 2.54 -1.91 0.92 4.01 -1.26 -5.04 117.16 112.37 1w7x n TYR 133 Ca -0.02 -3.99 -0.34 0.00 -0.16 0.00 0.00 57.90 53.39 1w7x n TYR 133 Cb 0.52 -0.50 0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1w7x n TYR 133 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1w7x s PRO 134 N -2.11 2.92 0.64 -0.72 0.04 -1.26 -4.97 135.00 129.55 1w7x s PRO 134 Ca 0.38 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1w7x s PRO 134 Cb 0.15 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1w7x s PRO 134 CO -0.04 -1.19 1.21 0.00 0.04 0.00 0.00 177.00 177.02 1w7x n GLY 136 N 0.42 0.37 3.40 0.00 0.00 -1.26 -5.00 105.19 103.12 1w7x n GLY 136 Ca 0.14 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1w7x n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w7x s LYS 137 N -0.68 1.94 -0.45 1.61 -0.14 -1.23 -5.11 119.74 115.68 1w7x s LYS 137 Ca 0.00 -1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 53.49 1w7x s LYS 137 Cb 0.00 -2.09 0.11 0.00 -1.68 0.00 0.00 37.83 34.17 1w7x s LYS 137 CO 0.00 0.53 0.31 0.42 -0.76 0.00 0.00 175.35 175.85 1w7x s ILE 138 N -0.86 4.06 0.25 2.17 1.01 -1.26 -4.91 121.20 121.66 1w7x s ILE 138 Ca 0.13 -1.77 -0.05 0.00 0.00 0.00 0.00 60.65 58.96 1w7x s ILE 138 Cb -0.10 -3.66 0.27 0.00 0.01 0.00 0.00 42.46 38.98 1w7x s ILE 138 CO 0.04 -0.72 1.65 -0.65 0.00 0.00 0.00 174.94 175.26 1w7x h PRO 139 N 8.38 0.16 0.00 2.79 0.11 -1.96 0.33 132.00 141.81 1w7x h PRO 139 Ca -0.20 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1w7x h PRO 139 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1w7x h PRO 139 CO 0.82 0.11 -0.18 -0.84 -0.21 0.00 0.00 178.00 177.70 1w7x h ILE 140 N 0.17 0.67 0.11 4.15 3.07 -1.95 0.06 117.51 123.79 1w7x h ILE 140 Ca 0.44 -0.77 -0.31 0.00 1.55 0.00 0.00 64.86 65.77 1w7x h ILE 140 Cb 0.79 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 1w7x h ILE 140 CO -0.62 0.18 -1.57 -0.07 -1.05 0.00 0.00 178.15 175.02 1w7x h LEU 141 N 0.00 0.37 -0.98 0.16 3.38 -1.44 -2.64 115.31 114.15 1w7x h LEU 141 Ca -0.00 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1w7x h LEU 141 Cb 0.47 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1w7x h LEU 141 CO 0.02 1.45 0.65 -0.33 0.09 0.00 0.00 178.44 180.32 1w7x h GLU 142 N 0.06 1.26 -0.72 1.13 4.39 -0.51 -0.96 114.58 119.25 1w7x h GLU 142 Ca -0.26 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 1w7x h GLU 142 Cb 2.02 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 30.35 1w7x h GLU 142 CO 0.15 0.83 0.29 0.87 -1.16 0.00 0.00 179.01 180.00 1w7x h LYS 143 N 1.30 1.07 0.00 2.33 6.56 -1.10 -3.51 116.57 123.21 1w7x h LYS 143 Ca 0.37 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1w7x h LYS 143 Cb -0.10 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.39 1w7x h LYS 143 CO -0.10 0.88 0.00 0.54 -2.06 0.00 0.00 179.45 178.71