#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpe h LEU 160 N 0.00 0.95 -1.66 0.27 5.85 -2.05 0.63 115.31 119.29 3kpe h LEU 160 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3kpe h LEU 160 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3kpe h LEU 160 CO 0.00 0.78 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.75 3kpe h GLU 161 N 1.06 0.15 -0.46 1.25 4.81 -2.05 -0.10 114.58 119.24 3kpe h GLU 161 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kpe h GLU 161 Cb 0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3kpe h GLU 161 CO -0.04 0.22 0.30 0.78 -0.73 0.00 0.00 179.01 179.53 3kpe h GLY 162 N 0.45 0.65 0.88 1.92 0.00 -1.33 -0.39 103.07 105.26 3kpe h GLY 162 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3kpe h GLY 162 CO 0.01 0.24 0.02 0.83 0.00 0.00 0.00 176.54 177.65 3kpe h GLU 163 N 0.62 0.07 -0.97 4.80 4.39 -0.75 -1.27 114.58 121.47 3kpe h GLU 163 Ca 0.17 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.97 3kpe h GLU 163 Cb -0.05 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.51 3kpe h GLU 163 CO -0.03 0.17 0.62 0.28 -1.16 0.00 0.00 179.01 178.89 3kpe h VAL 164 N -0.04 0.93 -0.40 3.13 2.07 -0.92 -1.11 116.25 119.91 3kpe h VAL 164 Ca 0.02 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3kpe h VAL 164 Cb 0.13 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 3kpe h VAL 164 CO -0.00 0.17 -0.17 -1.13 0.02 0.00 0.00 177.57 176.46 3kpe h ASN 165 N 0.95 0.75 -0.69 0.57 -0.73 -0.55 -1.47 115.58 114.41 3kpe h ASN 165 Ca 0.47 -0.25 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 3kpe h ASN 165 Cb 0.47 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.83 3kpe h ASN 165 CO -0.23 0.92 0.33 0.11 -0.37 0.00 0.00 177.43 178.19 3kpe h LYS 166 N 0.67 1.00 -0.63 6.67 1.57 -0.07 -1.48 116.57 124.30 3kpe h LYS 166 Ca 0.10 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3kpe h LYS 166 Cb 0.65 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3kpe h LYS 166 CO 0.05 0.79 0.06 0.82 -0.57 0.00 0.00 179.45 180.60 3kpe h ILE 167 N 0.97 1.26 -0.22 1.86 2.04 -0.96 0.68 117.51 123.14 3kpe h ILE 167 Ca 0.24 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3kpe h ILE 167 Cb 0.12 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3kpe h ILE 167 CO -0.03 0.40 0.14 0.50 0.00 0.00 0.00 178.15 179.16 3kpe h LYS 168 N 0.99 0.29 -0.73 2.37 3.64 -1.03 -0.11 116.57 121.99 3kpe h LYS 168 Ca 0.19 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kpe h LYS 168 Cb 0.49 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 3kpe h LYS 168 CO 0.02 0.22 0.43 0.77 -2.27 0.00 0.00 179.45 178.62 3kpe h SER 169 N 0.28 0.88 -0.27 4.20 0.02 -1.03 -0.90 113.55 116.72 3kpe h SER 169 Ca 0.08 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3kpe h SER 169 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3kpe h SER 169 CO -0.02 0.69 0.17 0.00 -1.14 0.00 0.00 176.83 176.53 3kpe h ALA 170 N 1.22 0.34 -0.40 3.77 0.00 -0.49 -1.88 119.26 121.83 3kpe h ALA 170 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kpe h ALA 170 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kpe h ALA 170 CO -0.05 -0.16 -0.15 1.25 0.00 0.00 0.00 179.25 180.14 3kpe h LEU 171 N 0.35 0.73 -1.09 0.00 5.85 -0.69 0.01 115.31 120.47 3kpe h LEU 171 Ca 0.10 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3kpe h LEU 171 Cb -0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3kpe h LEU 171 CO -0.02 0.89 0.62 -0.07 -0.34 0.00 0.00 178.44 179.52 3kpe h LEU 172 N 0.65 1.01 -0.21 2.25 3.38 -0.94 0.38 115.31 121.84 3kpe h LEU 172 Ca 0.11 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kpe h LEU 172 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kpe h LEU 172 CO 0.04 0.69 -0.11 -1.28 0.09 0.00 0.00 178.44 177.88 3kpe h SER 173 N 1.17 0.46 -0.98 -0.43 0.87 -0.59 -2.28 113.55 111.77 3kpe h SER 173 Ca 0.38 -0.42 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3kpe h SER 173 Cb 0.03 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 61.78 3kpe h SER 173 CO -0.12 0.77 0.62 0.74 -0.53 0.00 0.00 176.83 178.31 3kpe h THR 174 N 0.14 0.97 -0.55 2.23 2.02 -0.63 -0.92 112.91 116.17 3kpe h THR 174 Ca 0.05 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 3kpe h THR 174 Cb 0.60 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3kpe h THR 174 CO 0.03 0.19 0.12 0.78 0.37 0.00 0.00 175.52 177.01 3kpe h ASN 175 N 1.03 0.86 -0.63 4.18 2.35 -0.77 -1.58 115.58 121.02 3kpe h ASN 175 Ca 0.47 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3kpe h ASN 175 Cb 0.37 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3kpe h ASN 175 CO -0.23 0.88 0.37 0.11 -1.65 0.00 0.00 177.43 176.91 3kpe h LYS 176 N 0.80 0.87 -0.65 0.81 1.57 -0.79 -1.16 116.57 118.02 3kpe h LYS 176 Ca 0.17 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3kpe h LYS 176 Cb 0.37 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3kpe h LYS 176 CO 0.01 0.62 0.41 0.00 -0.57 0.00 0.00 179.45 179.92 3kpe h ALA 177 N 1.53 0.85 -0.28 3.86 0.00 -0.32 -0.88 119.26 124.01 3kpe h ALA 177 Ca 0.23 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3kpe h ALA 177 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kpe h ALA 177 CO -0.04 0.18 -0.50 0.28 0.00 0.00 0.00 179.25 179.16 3kpe h VAL 178 N 0.81 1.29 -0.30 0.00 2.07 -0.62 -1.02 116.25 118.47 3kpe h VAL 178 Ca 0.26 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3kpe h VAL 178 Cb 0.00 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kpe h VAL 178 CO -0.10 0.55 0.20 0.58 0.02 0.00 0.00 177.57 178.82 3kpe h VAL 179 N 0.62 1.08 -0.21 2.57 2.07 -1.06 0.06 116.25 121.38 3kpe h VAL 179 Ca 0.03 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3kpe h VAL 179 Cb 1.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3kpe h VAL 179 CO 0.11 0.08 0.02 -1.28 0.02 0.00 0.00 177.57 176.51 3kpe h SER 180 N 0.41 -0.04 -0.67 0.57 0.87 -0.96 -0.18 113.55 113.56 3kpe h SER 180 Ca 0.11 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3kpe h SER 180 Cb -0.05 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3kpe h SER 180 CO -0.02 0.01 0.23 0.25 -0.53 0.00 0.00 176.83 176.77 3kpe h LEU 181 N 0.09 0.95 -0.80 2.23 5.85 -1.05 -1.48 115.31 121.10 3kpe h LEU 181 Ca 0.10 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3kpe h LEU 181 Cb 0.11 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3kpe h LEU 181 CO -0.15 0.89 0.53 0.28 -0.34 0.00 0.00 178.44 179.65 3kpe h SER 182 N 0.96 0.91 -0.67 1.25 0.02 -0.59 -0.32 113.55 115.11 3kpe h SER 182 Ca 0.22 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3kpe h SER 182 Cb 0.26 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3kpe h SER 182 CO -0.01 0.65 0.09 0.78 -1.14 0.00 0.00 176.83 177.20 3kpe h ASN 183 N 1.07 1.07 -0.47 3.07 2.35 -0.61 -0.62 115.58 121.45 3kpe h ASN 183 Ca 0.30 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3kpe h ASN 183 Cb -0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.96 3kpe h ASN 183 CO -0.07 1.07 0.27 1.23 -1.65 0.00 0.00 177.43 178.27 3kpe h GLY 184 N 1.04 0.70 1.38 2.83 0.00 -0.78 -1.95 103.07 106.29 3kpe h GLY 184 Ca 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3kpe h GLY 184 CO 0.02 0.30 0.28 -2.08 0.00 0.00 0.00 176.54 175.06 3kpe h VAL 185 N 0.63 1.19 -0.12 4.60 2.07 -0.86 -0.69 116.25 123.07 3kpe h VAL 185 Ca 0.17 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3kpe h VAL 185 Cb 0.04 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3kpe h VAL 185 CO -0.03 0.22 0.01 0.28 0.02 0.00 0.00 177.57 178.07 3kpe h SER 186 N 0.81 -0.03 -0.35 0.57 0.02 -0.69 0.61 113.55 114.50 3kpe h SER 186 Ca 0.20 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3kpe h SER 186 Cb 0.08 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3kpe h SER 186 CO -0.03 0.00 0.13 0.58 -1.14 0.00 0.00 176.83 176.38 3kpe h VAL 187 N 0.05 1.19 -0.63 2.27 2.07 -1.09 -2.07 116.25 118.05 3kpe h VAL 187 Ca 0.05 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3kpe h VAL 187 Cb 0.06 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3kpe h VAL 187 CO -0.09 0.21 0.41 0.25 0.02 0.00 0.00 177.57 178.37 3kpe h LEU 188 N 0.41 0.68 -0.58 2.57 5.85 -0.81 -1.82 115.31 121.62 3kpe h LEU 188 Ca 0.12 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3kpe h LEU 188 Cb 0.20 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3kpe h LEU 188 CO -0.01 0.49 0.30 0.74 -0.34 0.00 0.00 178.44 179.62 3kpe h THR 189 N 0.82 0.95 -0.83 1.05 2.02 -0.62 -0.95 112.91 115.35 3kpe h THR 189 Ca 0.24 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3kpe h THR 189 Cb -0.04 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 3kpe h THR 189 CO -0.08 0.10 0.53 -1.28 0.37 0.00 0.00 175.52 175.17 3kpe h SER 190 N 0.57 0.88 0.00 4.18 0.87 -0.87 -1.36 113.55 117.83 3kpe h SER 190 Ca 0.26 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3kpe h SER 190 Cb 0.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3kpe h SER 190 CO -0.17 0.61 -0.40 0.11 -0.53 0.00 0.00 176.83 176.45 3kpe h LYS 191 N 1.04 0.51 -0.41 2.24 1.79 -0.69 -0.78 116.57 120.25 3kpe h LYS 191 Ca 0.33 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3kpe h LYS 191 Cb -0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3kpe h LYS 191 CO -0.11 0.82 0.02 0.28 -1.08 0.00 0.00 179.45 179.38 3kpe h VAL 192 N 0.42 1.26 -0.88 0.50 2.07 -0.82 -1.23 116.25 117.57 3kpe h VAL 192 Ca 0.04 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3kpe h VAL 192 Cb 0.88 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3kpe h VAL 192 CO 0.07 0.34 0.47 0.25 0.02 0.00 0.00 177.57 178.72 3kpe h LEU 193 N 0.56 1.11 -0.68 2.57 5.85 -1.09 -1.20 115.31 122.43 3kpe h LEU 193 Ca 0.12 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kpe h LEU 193 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kpe h LEU 193 CO 0.02 0.90 0.41 0.44 -0.34 0.00 0.00 178.44 179.86 3kpe h ASP 194 N 1.23 0.81 -0.53 1.25 3.32 -0.90 -0.80 116.42 120.81 3kpe h ASP 194 Ca 0.31 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3kpe h ASP 194 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3kpe h ASP 194 CO -0.05 0.64 0.12 0.25 -1.72 0.00 0.00 179.24 178.48 3kpe h LEU 195 N 0.92 0.81 -0.35 1.55 5.85 -0.85 0.67 115.31 123.91 3kpe h LEU 195 Ca 0.24 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kpe h LEU 195 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3kpe h LEU 195 CO -0.05 0.84 0.22 0.50 -0.34 0.00 0.00 178.44 179.61 3kpe h LYS 196 N 0.74 0.47 -0.67 1.25 3.11 -0.66 -0.95 116.57 119.86 3kpe h LYS 196 Ca 0.16 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 3kpe h LYS 196 Cb 0.35 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 3kpe h LYS 196 CO 0.00 0.34 0.12 -0.91 -2.81 0.00 0.00 179.45 176.19 3kpe h ASN 197 N 0.47 1.05 -0.27 4.20 2.35 -0.97 -1.68 115.58 120.72 3kpe h ASN 197 Ca 0.13 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3kpe h ASN 197 Cb -0.02 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 3kpe h ASN 197 CO -0.03 1.03 0.15 0.22 -1.65 0.00 0.00 177.43 177.16 3kpe h TYR 198 N 1.03 0.29 -0.08 1.19 3.20 -0.61 0.93 116.97 122.91 3kpe h TYR 198 Ca 0.21 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3kpe h TYR 198 Cb 0.42 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3kpe h TYR 198 CO 0.03 0.17 -0.02 0.82 -1.64 0.00 0.00 178.16 177.52 3kpe h ILE 199 N 0.32 0.93 -0.06 1.81 2.04 -1.01 0.20 117.51 121.74 3kpe h ILE 199 Ca 0.11 -0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 3kpe h ILE 199 Cb 0.01 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3kpe h ILE 199 CO -0.06 0.00 -0.57 0.44 0.00 0.00 0.00 178.15 177.97 3kpe h ASP 200 N 0.00 0.21 0.00 1.72 3.45 -1.09 -0.39 116.42 120.31 3kpe h ASP 200 Ca 0.04 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3kpe h ASP 200 Cb 0.06 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kpe h ASP 200 CO -0.08 0.73 -1.19 0.29 -1.57 0.00 0.00 179.24 177.42 3kpe n LYS 201 N -3.89 1.32 -0.07 3.56 5.02 0.30 -4.29 118.16 120.11 3kpe n LYS 201 Ca -0.02 -0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.09 3kpe n LYS 201 Cb 0.59 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 3kpe n LYS 201 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kpe n GLN 202 N -1.68 0.32 -0.06 1.97 1.13 0.66 -4.69 117.38 115.02 3kpe n GLN 202 Ca -0.01 0.09 -0.07 0.00 -1.94 0.00 0.00 57.00 55.07 3kpe n GLN 202 Cb 0.25 -1.17 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 3kpe n GLN 202 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3kpe h LEU 203 N -0.17 0.00 -0.89 1.08 -0.00 -1.19 -3.35 115.31 110.79 3kpe h LEU 203 Ca -0.31 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.88 57.11 3kpe h LEU 203 Cb 1.41 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.02 3kpe h LEU 203 CO -0.10 0.78 0.46 -0.07 -0.00 0.00 0.00 178.44 179.51 3kpe h LEU 204 N -1.00 1.13 -1.87 1.67 3.38 -1.26 -1.83 115.31 115.53 3kpe h LEU 204 Ca -0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kpe h LEU 204 Cb 0.51 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kpe h LEU 204 CO -0.01 0.92 -0.12 -0.65 0.09 0.00 0.00 178.44 178.67 3kpe h PRO 205 N 1.25 0.00 -0.00 1.13 0.11 -1.75 -2.53 132.00 130.20 3kpe h PRO 205 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3kpe h PRO 205 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3kpe h PRO 205 CO -0.05 0.12 -0.64 0.44 -0.21 0.00 0.00 178.00 177.67 3kpe n ILE 206 N -3.64 0.00 1.44 4.15 -5.35 -0.96 -5.13 119.36 109.86 3kpe n ILE 206 Ca -0.02 -0.07 0.14 0.00 -0.27 0.00 0.00 62.75 62.53 3kpe n ILE 206 Cb 0.25 0.73 0.48 0.00 -1.74 0.00 0.00 39.64 39.35 3kpe n ILE 206 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12