#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2j n PHE 169 N 0.00 2.83 0.21 1.39 3.01 -1.26 -4.70 117.46 118.95 1j2j n PHE 169 Ca 0.00 -2.45 0.11 0.00 1.01 0.00 0.00 57.45 56.12 1j2j n PHE 169 Cb 0.00 -0.70 0.19 0.00 -0.01 0.00 0.00 39.48 38.96 1j2j n PHE 169 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1j2j h GLU 170 N 2.07 0.00 -6.46 -1.08 4.11 -2.04 -3.43 114.58 107.74 1j2j h GLU 170 Ca 0.44 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.31 1j2j h GLU 170 Cb 1.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1j2j h GLU 170 CO 1.01 0.08 1.10 0.34 0.07 0.00 0.00 179.01 181.61 1j2j s ASP 171 N -6.21 6.21 0.29 3.06 -1.08 -1.26 -4.87 116.67 112.81 1j2j s ASP 171 Ca 0.06 0.65 -0.02 0.00 -0.52 0.00 0.00 52.55 52.73 1j2j s ASP 171 Cb 0.06 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.42 1j2j s ASP 171 CO 0.67 -1.57 1.95 -0.33 0.52 0.00 0.00 175.17 176.41 1j2j h GLU 172 N 11.08 1.09 -0.40 4.34 5.08 -1.99 -1.30 114.58 132.48 1j2j h GLU 172 Ca -0.27 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1j2j h GLU 172 Cb 1.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1j2j h GLU 172 CO 1.12 0.72 -0.11 0.93 -1.00 0.00 0.00 179.01 180.67 1j2j h GLU 173 N 1.13 0.78 -0.23 2.33 4.39 -1.98 -0.79 114.58 120.20 1j2j h GLU 173 Ca 0.34 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1j2j h GLU 173 Cb -0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1j2j h GLU 173 CO -0.09 0.92 -0.14 0.87 -1.16 0.00 0.00 179.01 179.41 1j2j h LYS 174 N 0.60 0.39 -0.74 2.33 1.57 -1.87 -2.26 116.57 116.58 1j2j h LYS 174 Ca 0.10 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1j2j h LYS 174 Cb 0.64 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1j2j h LYS 174 CO 0.04 0.54 0.22 0.77 -0.57 0.00 0.00 179.45 180.45 1j2j h SER 175 N 0.36 1.09 -0.56 0.86 0.02 -0.88 -0.85 113.55 113.59 1j2j h SER 175 Ca 0.07 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1j2j h SER 175 Cb 0.47 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1j2j h SER 175 CO 0.03 1.02 0.21 0.11 -1.14 0.00 0.00 176.83 177.06 1j2j h LYS 176 N 1.11 0.89 -0.16 3.45 1.57 -0.68 0.15 116.57 122.90 1j2j h LYS 176 Ca 0.24 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1j2j h LYS 176 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1j2j h LYS 176 CO -0.00 0.75 -0.00 1.98 -0.57 0.00 0.00 179.45 181.60 1j2j h MET 177 N 0.87 0.29 -0.41 3.15 4.05 -0.94 -1.64 114.93 120.30 1j2j h MET 177 Ca 0.20 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1j2j h MET 177 Cb 0.22 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1j2j h MET 177 CO -0.01 0.52 0.26 1.25 0.23 0.00 0.00 176.91 179.16 1j2j h LEU 178 N 0.03 0.44 -0.57 3.39 5.85 -0.85 -1.50 115.31 122.11 1j2j h LEU 178 Ca 0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1j2j h LEU 178 Cb 0.39 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1j2j h LEU 178 CO 0.01 0.32 0.38 0.00 -0.34 0.00 0.00 178.44 178.80 1j2j h ALA 179 N 1.17 0.72 -0.06 1.25 0.00 -0.64 -0.69 119.26 121.01 1j2j h ALA 179 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1j2j h ALA 179 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j2j h ALA 179 CO -0.05 0.15 -0.46 0.07 0.00 0.00 0.00 179.25 178.96 1j2j h ARG 180 N 0.77 0.14 -0.27 0.00 0.11 -0.90 -2.26 114.38 111.98 1j2j h ARG 180 Ca 0.21 -0.07 -0.18 0.00 0.10 0.00 0.00 59.98 60.03 1j2j h ARG 180 Cb -0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.00 1j2j h ARG 180 CO -0.05 0.58 -0.56 -0.07 0.10 0.00 0.00 179.97 179.97 1j2j h LEU 181 N 0.11 0.92 -1.46 0.08 3.38 -0.79 -2.73 115.31 114.83 1j2j h LEU 181 Ca 0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1j2j h LEU 181 Cb 0.87 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1j2j h LEU 181 CO 0.07 1.29 -0.08 -0.07 0.09 0.00 0.00 178.44 179.74 1j2j h LEU 182 N 0.63 0.00 -2.27 1.67 3.38 -0.93 -2.94 115.31 114.84 1j2j h LEU 182 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1j2j h LEU 182 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1j2j h LEU 182 CO 0.12 0.08 0.00 0.29 0.09 0.00 0.00 178.44 179.02 1j2j n LYS 183 N -3.23 2.37 -2.72 1.13 5.02 -0.87 -4.98 118.16 114.88 1j2j n LYS 183 Ca 0.00 -2.17 -0.32 0.00 -2.02 0.00 0.00 58.31 53.80 1j2j n LYS 183 Cb 0.33 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1j2j n LYS 183 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2j s SER 184 N -1.45 6.79 0.00 4.39 0.15 -1.04 -4.97 113.70 117.57 1j2j s SER 184 Ca 0.35 1.58 0.26 0.00 0.70 0.00 0.00 55.95 58.84 1j2j s SER 184 Cb 0.21 -2.50 0.77 0.00 -1.71 0.00 0.00 66.02 62.79 1j2j s SER 184 CO 0.29 -0.42 1.59 -1.54 1.20 0.00 0.00 173.24 174.36 1j2j n SER 185 N -0.96 0.54 -4.67 5.45 3.41 -1.26 -4.84 113.62 111.29 1j2j n SER 185 Ca 0.06 -0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 1j2j n SER 185 Cb 0.54 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1j2j n SER 185 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1j2j s HIS 186 N -2.81 3.44 0.43 7.33 3.76 -1.26 -4.94 115.29 121.24 1j2j s HIS 186 Ca 0.17 1.30 0.13 0.00 -0.15 0.00 0.00 55.06 56.50 1j2j s HIS 186 Cb 0.18 -3.03 1.00 0.00 1.11 0.00 0.00 32.58 31.85 1j2j s HIS 186 CO 0.60 -0.23 1.99 -1.00 -0.85 0.00 0.00 174.74 175.26 1j2j h PRO 187 N 7.28 0.42 -0.11 8.40 0.13 -1.99 -1.33 132.00 144.80 1j2j h PRO 187 Ca -0.30 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1j2j h PRO 187 Cb 1.13 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1j2j h PRO 187 CO 0.84 0.28 -0.29 0.93 -0.23 0.00 0.00 178.00 179.53 1j2j h GLU 188 N 0.43 0.20 -0.53 0.86 3.07 -1.99 -1.72 114.58 114.89 1j2j h GLU 188 Ca 0.26 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.93 1j2j h GLU 188 Cb 0.45 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1j2j h GLU 188 CO -0.07 0.47 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.44 1j2j h ASP 189 N 0.18 1.03 -0.61 1.42 3.32 -1.57 -0.51 116.42 119.68 1j2j h ASP 189 Ca 0.03 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 1j2j h ASP 189 Cb 0.60 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1j2j h ASP 189 CO 0.04 1.15 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.63 1j2j h LEU 190 N 0.90 1.07 -0.71 1.55 3.38 -1.25 -0.33 115.31 119.92 1j2j h LEU 190 Ca 0.14 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1j2j h LEU 190 Cb 0.70 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1j2j h LEU 190 CO 0.05 1.12 0.20 0.03 0.09 0.00 0.00 178.44 179.93 1j2j h ARG 191 N 0.99 1.12 -0.92 1.13 3.08 -1.15 -1.95 114.38 116.68 1j2j h ARG 191 Ca 0.17 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1j2j h ARG 191 Cb 0.58 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1j2j h ARG 191 CO 0.03 0.98 0.53 0.00 -1.07 0.00 0.00 179.97 180.44 1j2j h ALA 192 N 1.10 1.20 -0.38 0.04 0.00 -0.74 -2.34 119.26 118.15 1j2j h ALA 192 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1j2j h ALA 192 Cb 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1j2j h ALA 192 CO -0.00 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.01 1j2j h ALA 193 N 1.30 0.50 -0.62 0.00 0.00 -0.69 0.38 119.26 120.13 1j2j h ALA 193 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j2j h ALA 193 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1j2j h ALA 193 CO -0.06 0.17 0.36 -0.97 0.00 0.00 0.00 179.25 178.74 1j2j h ASN 194 N 0.46 0.76 -0.42 0.00 -0.73 -1.20 -0.79 115.58 113.66 1j2j h ASN 194 Ca 0.12 -0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.08 1j2j h ASN 194 Cb 0.30 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1j2j h ASN 194 CO 0.00 0.61 -0.22 0.50 -0.37 0.00 0.00 177.43 177.95 1j2j h LYS 195 N 0.84 0.92 -0.65 6.67 3.64 -1.30 -2.78 116.57 123.91 1j2j h LYS 195 Ca 0.22 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1j2j h LYS 195 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1j2j h LYS 195 CO -0.04 1.05 0.38 1.25 -2.27 0.00 0.00 179.45 179.81 1j2j h LEU 196 N 0.80 0.58 -0.47 5.20 5.85 -0.39 0.49 115.31 127.37 1j2j h LEU 196 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1j2j h LEU 196 Cb 0.78 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1j2j h LEU 196 CO 0.06 0.39 0.13 0.40 -0.34 0.00 0.00 178.44 179.09 1j2j h ILE 197 N 0.72 1.23 -0.80 4.05 2.04 -1.06 -0.86 117.51 122.82 1j2j h ILE 197 Ca 0.28 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1j2j h ILE 197 Cb 0.11 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1j2j h ILE 197 CO -0.15 0.29 0.38 0.11 0.00 0.00 0.00 178.15 178.78 1j2j h LYS 198 N 0.63 1.15 -0.50 2.37 1.57 -1.17 -1.17 116.57 119.44 1j2j h LYS 198 Ca 0.15 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j2j h LYS 198 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1j2j h LYS 198 CO -0.00 0.89 0.21 0.93 -0.57 0.00 0.00 179.45 180.91 1j2j h GLU 199 N 1.13 0.74 -0.52 3.15 4.39 -0.38 0.49 114.58 123.57 1j2j h GLU 199 Ca 0.27 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1j2j h GLU 199 Cb 0.12 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1j2j h GLU 199 CO -0.03 0.65 0.09 0.52 -1.16 0.00 0.00 179.01 179.08 1j2j h MET 200 N 0.66 0.86 -0.39 2.33 2.86 -0.87 0.23 114.93 120.61 1j2j h MET 200 Ca 0.17 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1j2j h MET 200 Cb 0.18 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1j2j h MET 200 CO -0.02 0.84 0.05 0.28 1.06 0.00 0.00 176.91 179.12 1j2j h VAL 201 N 0.75 1.25 -0.63 -2.22 2.07 -1.06 -1.97 116.25 114.43 1j2j h VAL 201 Ca 0.16 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1j2j h VAL 201 Cb 0.39 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1j2j h VAL 201 CO 0.01 0.31 0.19 -0.61 0.02 0.00 0.00 177.57 177.49 1j2j h GLN 202 N 0.50 0.98 -0.35 1.57 4.15 -0.58 0.82 115.11 122.20 1j2j h GLN 202 Ca 0.12 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1j2j h GLN 202 Cb 0.40 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1j2j h GLN 202 CO 0.01 0.87 -0.08 0.93 -1.93 0.00 0.00 178.83 178.64 1j2j h GLU 203 N 0.91 0.59 0.00 1.69 5.08 -0.45 -0.66 114.58 121.74 1j2j h GLU 203 Ca 0.20 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1j2j h GLU 203 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1j2j h GLU 203 CO -0.01 0.67 -0.52 0.22 -1.00 0.00 0.00 179.01 178.38 1j2j h ASP 204 N 0.55 0.00 -0.53 1.42 3.58 -0.87 -2.45 116.42 118.12 1j2j h ASP 204 Ca 0.11 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 1j2j h ASP 204 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1j2j h ASP 204 CO 0.02 0.52 -0.01 -0.61 -2.88 0.00 0.00 179.24 176.28 1j2j h GLN 205 N 0.00 0.95 -7.31 0.28 5.75 0.32 -3.41 115.11 111.70 1j2j h GLN 205 Ca -0.01 -0.31 -0.47 0.00 -0.15 0.00 0.00 58.65 57.72 1j2j h GLN 205 Cb 0.93 -0.08 0.16 0.00 1.07 0.00 0.00 27.48 29.56 1j2j h GLN 205 CO 0.07 0.96 0.20 0.15 -2.65 0.00 0.00 178.83 177.56 1j2j s LYS 206 N -5.00 0.71 -0.70 1.69 -0.14 -0.37 -3.96 119.74 111.97 1j2j s LYS 206 Ca -0.12 0.81 -0.02 0.00 -1.36 0.00 0.00 55.97 55.28 1j2j s LYS 206 Cb 0.12 -1.75 -0.02 0.00 -1.68 0.00 0.00 37.83 34.50 1j2j s LYS 206 CO 0.84 -2.61 0.64 -2.13 -0.76 0.00 0.00 175.35 171.32 1j2j n ARG 207 N -4.14 -1.36 0.00 1.68 0.63 -1.26 -4.86 116.66 107.36 1j2j n ARG 207 Ca 0.06 1.09 0.00 0.00 -0.92 0.00 0.00 57.85 58.08 1j2j n ARG 207 Cb 0.55 -5.00 0.00 0.00 0.45 0.00 0.00 32.46 28.46 1j2j n ARG 207 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12