#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6t n HIS 0 N 0.00 2.52 -2.20 7.33 -0.00 -1.26 -4.93 115.22 116.68 3k6t n HIS 0 Ca 0.00 0.52 -0.35 0.00 -0.00 0.00 0.00 57.72 57.88 3k6t n HIS 0 Cb 0.00 -2.45 0.01 0.00 -0.00 0.00 0.00 29.99 27.54 3k6t n HIS 0 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3k6t s GLU 144 N -1.96 3.27 -0.34 1.57 -1.05 -1.26 -4.97 118.70 113.96 3k6t s GLU 144 Ca 0.55 1.67 -0.24 0.00 -0.15 0.00 0.00 54.97 56.80 3k6t s GLU 144 Cb -0.54 -1.99 0.01 0.00 -0.44 0.00 0.00 34.13 31.17 3k6t s GLU 144 CO 0.63 -0.93 0.81 0.00 0.95 0.00 0.00 175.26 176.72 3k6t s ALA 145 N -1.72 3.48 0.08 -0.84 0.00 -1.26 -4.93 121.76 116.56 3k6t s ALA 145 Ca 0.74 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3k6t s ALA 145 Cb -0.26 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3k6t s ALA 145 CO 0.28 -1.36 -0.05 0.95 0.00 0.00 0.00 175.76 175.58 3k6t s THR 146 N 3.09 0.52 0.38 0.00 -4.23 -1.26 -4.80 115.64 109.34 3k6t s THR 146 Ca 0.33 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 3k6t s THR 146 Cb -0.13 -1.57 0.17 0.00 1.34 0.00 0.00 72.50 72.30 3k6t s THR 146 CO 0.15 -0.90 1.92 0.58 -0.54 0.00 0.00 174.62 175.83 3k6t h VAL 147 N 3.10 1.17 -0.54 2.29 2.07 -1.96 -0.74 116.25 121.64 3k6t h VAL 147 Ca -0.35 -0.73 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 3k6t h VAL 147 Cb 1.16 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3k6t h VAL 147 CO 0.64 0.24 -0.08 -0.33 0.02 0.00 0.00 177.57 178.06 3k6t h GLU 148 N 0.30 1.01 -0.22 1.57 3.07 -1.99 0.57 114.58 118.90 3k6t h GLU 148 Ca 0.06 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.52 3k6t h GLU 148 Cb 0.33 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3k6t h GLU 148 CO 0.02 1.05 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.73 3k6t h TYR 149 N 0.89 0.45 -0.53 4.33 3.20 -1.73 -1.85 116.97 121.73 3k6t h TYR 149 Ca 0.14 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3k6t h TYR 149 Cb 0.64 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 3k6t h TYR 149 CO 0.05 0.61 0.17 1.25 -1.64 0.00 0.00 178.16 178.60 3k6t h LEU 150 N 0.16 0.14 -0.53 2.82 5.85 -0.99 -0.95 115.31 121.80 3k6t h LEU 150 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3k6t h LEU 150 Cb 0.45 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3k6t h LEU 150 CO 0.02 0.10 0.34 0.00 -0.34 0.00 0.00 178.44 178.56 3k6t h ALA 151 N 1.38 0.67 -0.91 1.25 0.00 -0.74 -1.47 119.26 119.45 3k6t h ALA 151 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3k6t h ALA 151 Cb 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3k6t h ALA 151 CO -0.29 0.10 0.50 -0.44 0.00 0.00 0.00 179.25 179.12 3k6t h ASP 152 N 0.70 1.13 -0.25 0.00 3.32 -0.71 -1.81 116.42 118.79 3k6t h ASP 152 Ca 0.20 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3k6t h ASP 152 Cb -0.07 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3k6t h ASP 152 CO -0.05 0.90 0.05 -0.07 -1.72 0.00 0.00 179.24 178.35 3k6t h LEU 153 N 1.27 0.40 -0.79 1.55 3.38 -0.75 -1.89 115.31 118.48 3k6t h LEU 153 Ca 0.32 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k6t h LEU 153 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3k6t h LEU 153 CO -0.05 0.55 0.34 0.58 0.09 0.00 0.00 178.44 179.95 3k6t h VAL 154 N 0.23 1.26 -0.28 1.22 2.07 -1.13 -0.09 116.25 119.53 3k6t h VAL 154 Ca 0.08 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3k6t h VAL 154 Cb 0.32 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3k6t h VAL 154 CO 0.00 0.32 0.14 0.50 0.02 0.00 0.00 177.57 178.56 3k6t h LYS 155 N 1.14 0.29 -0.35 1.57 3.64 -1.23 -1.64 116.57 119.99 3k6t h LYS 155 Ca 0.27 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3k6t h LYS 155 Cb 0.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3k6t h LYS 155 CO -0.03 0.19 -0.06 0.93 -2.27 0.00 0.00 179.45 178.21 3k6t h GLU 156 N 0.30 0.57 -0.54 1.90 5.08 -0.78 -2.74 114.58 118.37 3k6t h GLU 156 Ca 0.11 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3k6t h GLU 156 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3k6t h GLU 156 CO -0.07 0.64 0.20 -0.22 -1.00 0.00 0.00 179.01 178.56 3k6t h LYS 157 N 0.54 0.81 -0.69 2.33 3.64 -0.65 -0.65 116.57 121.90 3k6t h LYS 157 Ca 0.11 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3k6t h LYS 157 Cb 0.44 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3k6t h LYS 157 CO 0.02 0.72 0.46 0.87 -2.27 0.00 0.00 179.45 179.25 3k6t h LYS 158 N 0.73 0.81 -0.12 1.90 1.79 -1.01 -1.38 116.57 119.29 3k6t h LYS 158 Ca 0.18 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.45 3k6t h LYS 158 Cb 0.22 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3k6t h LYS 158 CO -0.01 0.54 -0.51 0.45 -1.08 0.00 0.00 179.45 178.83 3k6t h HIS 159 N 0.83 0.74 0.00 -1.35 3.86 -1.30 -3.35 115.15 114.59 3k6t h HIS 159 Ca 0.28 -0.32 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 3k6t h HIS 159 Cb 0.07 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3k6t h HIS 159 CO -0.00 1.10 -0.57 -0.07 0.86 0.00 0.00 177.93 179.24 3k6t h LEU 160 N 0.17 0.00 0.00 2.43 3.38 -0.79 -3.16 115.31 117.34 3k6t h LEU 160 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k6t h LEU 160 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3k6t h LEU 160 CO 0.11 0.57 0.00 0.35 0.09 0.00 0.00 178.44 179.56 3k6t n THR 161 N -3.83 1.15 0.31 0.22 -2.24 -0.55 -1.47 114.28 107.86 3k6t n THR 161 Ca -0.01 0.29 0.16 0.00 -2.27 0.00 0.00 64.05 62.22 3k6t n THR 161 Cb 0.58 -1.10 0.70 0.00 -2.10 0.00 0.00 70.33 68.41 3k6t n THR 161 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3k6t h LEU 162 N 0.00 0.00 -5.94 3.22 3.38 -1.75 -3.35 115.31 110.86 3k6t h LEU 162 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3k6t h LEU 162 Cb 0.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.51 3k6t h LEU 162 CO 0.00 0.00 -0.93 0.49 0.09 0.00 0.00 178.44 178.09 3k6t n PHE 163 N -2.78 1.44 0.22 1.13 3.72 -0.54 -4.94 117.46 115.71 3k6t n PHE 163 Ca 0.00 -3.84 0.07 0.00 -0.05 0.00 0.00 57.45 53.64 3k6t n PHE 163 Cb 0.23 -0.44 0.50 0.00 -0.94 0.00 0.00 39.48 38.83 3k6t n PHE 163 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3k6t h PRO 164 N 3.68 0.00 0.00 -1.08 0.11 -1.77 -2.12 132.00 130.81 3k6t h PRO 164 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k6t h PRO 164 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3k6t h PRO 164 CO 0.62 0.26 -0.41 0.72 -0.21 0.00 0.00 178.00 178.98 3k6t n HIS 165 N -3.84 0.12 -0.07 0.65 8.25 -1.26 -2.87 115.22 116.19 3k6t n HIS 165 Ca -0.02 0.03 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 3k6t n HIS 165 Cb 0.35 -0.39 -0.12 0.00 1.12 0.00 0.00 29.99 30.95 3k6t n HIS 165 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3k6t n MET 166 N -1.62 1.52 -2.28 -0.41 0.00 -1.03 -4.73 117.12 108.57 3k6t n MET 166 Ca 0.05 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.70 57.61 3k6t n MET 166 Cb 0.36 -1.39 0.04 0.00 0.00 0.00 0.00 33.22 32.22 3k6t n MET 166 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3k6t n PHE 167 N -2.56 2.07 -0.27 1.12 3.72 -0.83 -4.88 117.46 115.83 3k6t n PHE 167 Ca -0.25 -2.14 -0.06 0.00 -0.05 0.00 0.00 57.45 54.95 3k6t n PHE 167 Cb 0.99 -0.29 0.06 0.00 -0.94 0.00 0.00 39.48 39.29 3k6t n PHE 167 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3k6t h SER 168 N 2.29 1.05 -0.25 4.37 4.64 -1.76 0.18 113.55 124.05 3k6t h SER 168 Ca 0.16 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 3k6t h SER 168 Cb 1.43 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3k6t h SER 168 CO 0.51 0.94 -0.54 0.78 -0.87 0.00 0.00 176.83 177.66 3k6t h ASN 169 N 1.09 0.91 -0.53 4.97 2.35 -1.90 -2.30 115.58 120.17 3k6t h ASN 169 Ca 0.25 -0.55 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3k6t h ASN 169 Cb 0.23 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3k6t h ASN 169 CO -0.02 1.29 0.34 0.58 -1.65 0.00 0.00 177.43 177.97 3k6t h VAL 170 N 0.57 1.10 -0.98 2.81 2.07 -1.88 -0.86 116.25 119.07 3k6t h VAL 170 Ca 0.01 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3k6t h VAL 170 Cb 1.15 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3k6t h VAL 170 CO 0.12 0.12 0.65 -0.33 0.02 0.00 0.00 177.57 178.15 3k6t h GLU 171 N 0.68 1.24 -0.28 1.57 5.08 -0.58 -1.46 114.58 120.83 3k6t h GLU 171 Ca 0.20 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3k6t h GLU 171 Cb -0.03 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3k6t h GLU 171 CO -0.07 0.82 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.61 3k6t h ARG 172 N 1.28 0.53 -0.79 2.33 2.43 -0.94 -0.97 114.38 118.26 3k6t h ARG 172 Ca 0.38 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3k6t h ARG 172 Cb -0.06 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3k6t h ARG 172 CO -0.11 0.74 0.52 -0.07 -1.51 0.00 0.00 179.97 179.55 3k6t h LEU 173 N 0.29 0.88 -0.19 3.80 3.38 -0.92 -0.60 115.31 121.95 3k6t h LEU 173 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3k6t h LEU 173 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3k6t h LEU 173 CO 0.03 0.63 -0.27 0.25 0.09 0.00 0.00 178.44 179.17 3k6t h LEU 174 N 1.04 0.57 -0.72 1.67 5.85 -1.13 -1.92 115.31 120.67 3k6t h LEU 174 Ca 0.30 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3k6t h LEU 174 Cb -0.07 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 3k6t h LEU 174 CO -0.07 0.98 0.41 0.44 -0.34 0.00 0.00 178.44 179.86 3k6t h ASP 175 N 0.19 0.63 -0.50 1.25 3.32 -0.86 -0.95 116.42 119.49 3k6t h ASP 175 Ca 0.02 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3k6t h ASP 175 Cb 0.85 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3k6t h ASP 175 CO 0.06 0.40 0.33 0.44 -1.72 0.00 0.00 179.24 178.75 3k6t h ASP 176 N 0.76 0.56 -0.39 6.45 3.32 -0.96 -2.15 116.42 124.01 3k6t h ASP 176 Ca 0.32 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 3k6t h ASP 176 Cb 0.19 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3k6t h ASP 176 CO -0.18 0.40 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.45 3k6t h GLU 177 N 0.66 0.83 -0.32 3.56 4.57 -0.93 -0.40 114.58 122.55 3k6t h GLU 177 Ca 0.19 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3k6t h GLU 177 Cb -0.06 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 3k6t h GLU 177 CO -0.05 1.01 0.09 0.82 -1.18 0.00 0.00 179.01 179.70 3k6t h ILE 178 N 0.63 0.88 -0.28 2.32 2.04 -1.09 0.39 117.51 122.41 3k6t h ILE 178 Ca 0.08 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3k6t h ILE 178 Cb 0.77 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3k6t h ILE 178 CO 0.06 0.04 0.18 1.23 0.00 0.00 0.00 178.15 179.66 3k6t h GLY 179 N 0.22 0.39 0.73 5.37 0.00 -1.23 -1.31 103.07 107.24 3k6t h GLY 179 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3k6t h GLY 179 CO -0.17 0.15 -0.01 -0.09 0.00 0.00 0.00 176.54 176.42 3k6t h ARG 180 N 0.36 0.04 -0.48 4.80 2.43 -0.73 -2.46 114.38 118.34 3k6t h ARG 180 Ca 0.10 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3k6t h ARG 180 Cb -0.02 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3k6t h ARG 180 CO -0.02 0.03 -0.07 0.28 -1.51 0.00 0.00 179.97 178.68 3k6t h VAL 181 N 0.04 1.27 -0.53 0.20 2.07 -0.78 -0.95 116.25 117.57 3k6t h VAL 181 Ca 0.08 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3k6t h VAL 181 Cb 0.10 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3k6t h VAL 181 CO -0.14 0.41 0.28 -0.09 0.02 0.00 0.00 177.57 178.05 3k6t h ARG 182 N 0.75 0.74 -0.04 1.57 2.43 -1.16 -0.97 114.38 117.69 3k6t h ARG 182 Ca 0.13 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3k6t h ARG 182 Cb 0.60 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3k6t h ARG 182 CO 0.04 0.58 0.02 0.28 -1.51 0.00 0.00 179.97 179.37 3k6t h VAL 183 N 0.70 1.12 -0.93 0.20 2.07 -1.33 -3.18 116.25 114.91 3k6t h VAL 183 Ca 0.18 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3k6t h VAL 183 Cb 0.06 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3k6t h VAL 183 CO -0.03 0.10 0.56 0.00 0.02 0.00 0.00 177.57 178.23 3k6t h ALA 184 N 0.87 1.35 -0.57 1.67 0.00 -0.89 -2.08 119.26 119.62 3k6t h ALA 184 Ca 0.01 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3k6t h ALA 184 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k6t h ALA 184 CO -0.00 0.20 0.54 -0.07 0.00 0.00 0.00 179.25 179.92 3k6t h LEU 185 N 0.93 0.00 -2.91 0.00 3.38 -1.16 -0.36 115.31 115.19 3k6t h LEU 185 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3k6t h LEU 185 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3k6t h LEU 185 CO -0.24 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.78 3k6t n PHE 186 N -3.82 0.63 -0.47 1.13 3.72 -0.79 -5.12 117.46 112.74 3k6t n PHE 186 Ca 0.11 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3k6t n PHE 186 Cb 0.76 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3k6t n PHE 186 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75