#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si2 s ALA 225 N 0.00 3.58 -0.18 3.17 0.00 -1.26 -4.68 121.76 122.38 1si2 s ALA 225 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 1si2 s ALA 225 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1si2 s ALA 225 CO 0.00 0.33 0.11 -1.14 0.00 0.00 0.00 175.76 175.06 1si2 s GLN 226 N -0.79 4.03 0.32 0.00 0.74 -1.14 -4.83 119.66 117.98 1si2 s GLN 226 Ca 0.28 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.15 1si2 s GLN 226 Cb -0.19 -3.32 -0.12 0.00 1.10 0.00 0.00 33.01 30.48 1si2 s GLN 226 CO 0.17 0.35 1.46 -2.30 -0.55 0.00 0.00 175.29 174.42 1si2 n PRO 227 N 3.33 2.46 0.27 1.67 -0.02 -1.26 0.10 135.00 141.55 1si2 n PRO 227 Ca -0.17 0.87 0.15 0.00 -2.02 0.00 0.00 63.50 62.33 1si2 n PRO 227 Cb 0.52 -2.57 0.67 0.00 -0.02 0.00 0.00 33.50 32.11 1si2 n PRO 227 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1si2 h VAL 228 N 2.98 0.24 -0.23 -1.45 -1.51 -1.17 -1.99 116.25 113.12 1si2 h VAL 228 Ca -0.48 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.34 1si2 h VAL 228 Cb 1.25 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 1si2 h VAL 228 CO 0.70 0.08 0.11 0.40 -1.23 0.00 0.00 177.57 177.63 1si2 h ILE 229 N 0.00 1.14 -0.64 7.19 1.08 -1.79 0.12 117.51 124.61 1si2 h ILE 229 Ca -0.00 -0.42 -0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1si2 h ILE 229 Cb 0.51 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1si2 h ILE 229 CO 0.01 0.14 0.17 -0.33 -0.69 0.00 0.00 178.15 177.45 1si2 h GLU 230 N 0.24 1.01 -0.48 2.37 5.08 -1.79 -0.96 114.58 120.05 1si2 h GLU 230 Ca 0.08 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1si2 h GLU 230 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1si2 h GLU 230 CO -0.01 0.89 0.23 0.35 -1.00 0.00 0.00 179.01 179.47 1si2 h PHE 231 N 0.96 0.69 0.56 4.33 3.57 -1.02 -1.52 116.94 124.51 1si2 h PHE 231 Ca 0.21 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1si2 h PHE 231 Cb 0.33 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1si2 h PHE 231 CO 0.02 0.55 -0.37 1.98 -2.23 0.00 0.00 178.31 178.26 1si2 h MET 232 N 0.63 -0.86 -0.99 1.11 4.05 -0.40 -0.04 114.93 118.45 1si2 h MET 232 Ca 0.17 0.06 0.22 0.00 -0.28 0.00 0.00 59.70 59.87 1si2 h MET 232 Cb 0.12 0.19 -0.09 0.00 -0.80 0.00 0.00 31.60 31.02 1si2 h MET 232 CO -0.02 -0.57 0.63 0.00 0.23 0.00 0.00 176.91 177.18 1si2 h GLU 234 N 0.52 0.90 -0.31 0.00 5.08 -0.66 0.42 114.58 120.53 1si2 h GLU 234 Ca 0.55 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1si2 h GLU 234 Cb 1.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1si2 h GLU 234 CO -0.29 1.06 -0.02 0.28 -1.00 0.00 0.00 179.01 179.05 1si2 h VAL 235 N 0.73 1.26 -0.09 3.13 2.07 0.13 -3.07 116.25 120.41 1si2 h VAL 235 Ca 0.09 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1si2 h VAL 235 Cb 0.81 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1si2 h VAL 235 CO 0.07 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.16 1si2 n LEU 236 N -4.54 1.15 -3.37 2.57 4.77 0.57 -4.95 117.00 113.22 1si2 n LEU 236 Ca -0.02 -0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 55.34 1si2 n LEU 236 Cb 0.27 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1si2 n LEU 236 CO 0.39 0.23 0.07 0.47 -1.33 0.00 0.00 177.39 177.22 1si2 n ASP 237 N -0.04 -3.95 -4.53 -1.43 10.43 0.09 -5.03 116.55 112.08 1si2 n ASP 237 Ca 0.17 -0.67 -0.30 0.00 2.57 0.00 0.00 54.79 56.57 1si2 n ASP 237 Cb 0.26 -5.12 -0.11 0.00 1.84 0.00 0.00 41.12 38.00 1si2 n ASP 237 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1si2 s ILE 238 N -3.38 3.10 0.00 0.53 1.01 0.12 -4.99 121.20 117.59 1si2 s ILE 238 Ca 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1si2 s ILE 238 Cb -0.03 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1si2 s ILE 238 CO 0.74 0.13 0.00 0.54 0.00 0.00 0.00 174.94 176.34 1si2 n ARG 239 N 0.82 2.35 -1.52 2.79 1.74 -1.26 -4.54 116.66 117.04 1si2 n ARG 239 Ca -0.15 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.59 1si2 n ARG 239 Cb 0.52 -0.72 0.07 0.00 -1.02 0.00 0.00 32.46 31.31 1si2 n ARG 239 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1si2 n ASN 240 N -0.96 7.31 -0.02 0.55 6.94 -1.26 -4.73 115.26 123.09 1si2 n ASN 240 Ca 0.00 -3.79 0.23 0.00 -0.02 0.00 0.00 54.58 51.00 1si2 n ASN 240 Cb 0.14 -0.91 0.72 0.00 -2.36 0.00 0.00 39.78 37.37 1si2 n ASN 240 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1si2 h ILE 241 N 1.32 0.52 -0.93 1.53 2.10 -1.91 0.33 117.51 120.46 1si2 h ILE 241 Ca 0.57 0.00 -0.51 0.00 1.08 0.00 0.00 64.86 66.00 1si2 h ILE 241 Cb 0.78 0.63 -0.29 0.00 -1.09 0.00 0.00 36.82 36.85 1si2 h ILE 241 CO 1.46 0.00 0.65 0.47 -1.08 0.00 0.00 178.15 179.65 1si2 n ASP 242 N -4.05 4.30 0.00 2.19 10.43 -1.26 -3.88 116.55 124.28 1si2 n ASP 242 Ca 0.12 -3.53 0.00 0.00 2.57 0.00 0.00 54.79 53.94 1si2 n ASP 242 Cb 0.73 -0.84 0.00 0.00 1.84 0.00 0.00 41.12 42.85 1si2 n ASP 242 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1si2 n GLU 243 N -1.00 1.34 -3.68 -1.24 2.13 0.11 -4.92 120.64 113.39 1si2 n GLU 243 Ca 0.56 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 58.03 1si2 n GLU 243 Cb 1.45 -0.68 -0.07 0.00 0.27 0.00 0.00 31.44 32.41 1si2 n GLU 243 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1si2 s GLN 244 N -1.36 3.13 0.00 5.31 -0.21 -0.95 -4.90 119.66 120.67 1si2 s GLN 244 Ca 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 55.36 52.13 1si2 s GLN 244 Cb 0.00 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1si2 s GLN 244 CO 0.00 -1.26 0.46 -2.30 -2.12 0.00 0.00 175.29 170.06 1si2 n PRO 245 N 2.34 0.50 -2.78 2.91 -0.02 -1.26 -4.78 135.00 131.92 1si2 n PRO 245 Ca 0.20 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 1si2 n PRO 245 Cb 0.37 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 1si2 n PRO 245 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1si2 s LYS 246 N 0.21 4.64 0.92 -0.52 1.02 -1.26 -4.95 119.74 119.81 1si2 s LYS 246 Ca 0.00 1.36 -0.15 0.00 0.02 0.00 0.00 55.97 57.19 1si2 s LYS 246 Cb 0.00 -2.90 0.23 0.00 -0.52 0.00 0.00 37.83 34.64 1si2 s LYS 246 CO 0.00 0.33 0.77 -2.30 -0.92 0.00 0.00 175.35 173.23 1si2 n PRO 247 N 0.76 -2.80 -3.41 -1.68 -0.02 -1.26 -4.91 135.00 121.68 1si2 n PRO 247 Ca 0.01 -1.24 -0.34 0.00 -2.02 0.00 0.00 63.50 59.91 1si2 n PRO 247 Cb 0.49 -1.22 -0.06 0.00 -0.02 0.00 0.00 33.50 32.70 1si2 n PRO 247 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1si2 s LEU 248 N 0.00 4.28 0.74 2.45 1.43 -1.26 -5.07 118.68 121.25 1si2 s LEU 248 Ca 0.51 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1si2 s LEU 248 Cb -0.06 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1si2 s LEU 248 CO 0.40 0.06 1.08 0.42 0.23 0.00 0.00 176.35 178.53 1si2 s THR 249 N -1.57 3.58 0.38 5.49 -4.23 -1.26 -4.82 115.64 113.21 1si2 s THR 249 Ca 0.40 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1si2 s THR 249 Cb -0.14 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.58 1si2 s THR 249 CO 0.20 -0.67 1.92 0.44 -0.54 0.00 0.00 174.62 175.97 1si2 h ASP 250 N -0.86 0.32 -0.20 3.99 3.32 -1.99 0.32 116.42 121.32 1si2 h ASP 250 Ca -0.45 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1si2 h ASP 250 Cb 1.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1si2 h ASP 250 CO 0.59 0.42 0.02 -1.28 -1.72 0.00 0.00 179.24 177.27 1si2 h SER 251 N 0.33 0.33 -0.56 6.45 0.87 -1.99 -1.72 113.55 117.25 1si2 h SER 251 Ca 0.07 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1si2 h SER 251 Cb 0.32 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1si2 h SER 251 CO 0.01 0.52 0.10 1.56 -0.53 0.00 0.00 176.83 178.50 1si2 h GLN 252 N 0.13 0.93 -0.41 2.24 4.20 -1.70 -1.63 115.11 118.87 1si2 h GLN 252 Ca 0.06 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1si2 h GLN 252 Cb 0.34 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1si2 h GLN 252 CO 0.01 0.89 0.20 -0.09 -0.67 0.00 0.00 178.83 179.16 1si2 h ARG 253 N 0.82 0.58 -0.83 1.46 2.43 -0.91 0.53 114.38 118.47 1si2 h ARG 253 Ca 0.17 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1si2 h ARG 253 Cb 0.40 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1si2 h ARG 253 CO 0.01 0.50 0.41 0.28 -1.51 0.00 0.00 179.97 179.65 1si2 h VAL 254 N 0.52 1.25 -0.31 0.20 2.07 -1.17 0.23 116.25 119.03 1si2 h VAL 254 Ca 0.14 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1si2 h VAL 254 Cb 0.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1si2 h VAL 254 CO -0.02 0.30 -0.37 0.03 0.02 0.00 0.00 177.57 177.54 1si2 h ARG 255 N 1.18 0.72 -0.16 1.57 3.08 -0.93 -2.79 114.38 117.04 1si2 h ARG 255 Ca 0.29 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1si2 h ARG 255 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1si2 h ARG 255 CO -0.04 0.97 -0.39 0.35 -1.07 0.00 0.00 179.97 179.80 1si2 h PHE 256 N 0.60 0.70 -0.52 3.04 -0.00 -0.51 -3.29 116.94 116.96 1si2 h PHE 256 Ca 0.06 -0.27 0.08 0.00 -0.00 0.00 0.00 57.97 57.84 1si2 h PHE 256 Cb 0.90 -0.12 -0.06 0.00 -0.00 0.00 0.00 35.95 36.66 1si2 h PHE 256 CO 0.05 1.01 0.18 1.15 -0.00 0.00 0.00 178.31 180.70 1si2 h THR 257 N 0.18 0.81 -0.86 4.41 2.02 -0.53 -1.67 112.91 117.27 1si2 h THR 257 Ca -0.00 -0.12 0.17 0.00 0.77 0.00 0.00 66.41 67.22 1si2 h THR 257 Cb 1.00 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1si2 h THR 257 CO 0.08 0.07 0.56 0.11 0.37 0.00 0.00 175.52 176.71 1si2 h LYS 258 N 0.36 0.51 0.13 6.66 1.57 -1.56 0.44 116.57 124.68 1si2 h LYS 258 Ca 0.26 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.70 1si2 h LYS 258 Cb 0.29 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1si2 h LYS 258 CO -0.27 0.34 -1.52 0.93 -0.57 0.00 0.00 179.45 178.36 1si2 h GLU 259 N 0.53 0.28 0.00 3.15 4.39 -1.41 -3.37 114.58 118.15 1si2 h GLU 259 Ca 0.44 -0.47 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 1si2 h GLU 259 Cb 0.90 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1si2 h GLU 259 CO -0.18 1.16 -1.18 0.97 -1.16 0.00 0.00 179.01 178.62 1si2 h ILE 260 N 0.08 0.83 -2.39 3.13 6.09 -1.00 -3.43 117.51 120.80 1si2 h ILE 260 Ca -0.24 -2.38 -0.54 0.00 -1.37 0.00 0.00 64.86 60.32 1si2 h ILE 260 Cb 2.03 2.31 0.03 0.00 0.47 0.00 0.00 36.82 41.67 1si2 h ILE 260 CO 0.17 0.47 1.12 1.17 -3.07 0.00 0.00 178.15 178.01 1si2 n LYS 261 N -3.07 2.70 0.00 2.19 4.81 0.11 -1.68 118.16 123.23 1si2 n LYS 261 Ca -0.07 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1si2 n LYS 261 Cb 0.87 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1si2 n LYS 261 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1si2 n GLY 262 N 4.27 1.95 3.86 3.14 0.00 0.90 -4.98 105.19 114.34 1si2 n GLY 262 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1si2 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1si2 s LEU 263 N 0.00 3.35 -0.15 0.99 1.43 -0.67 -4.78 118.68 118.84 1si2 s LEU 263 Ca 0.00 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 1si2 s LEU 263 Cb 0.00 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 1si2 s LEU 263 CO 0.00 -0.78 0.13 -0.75 0.23 0.00 0.00 176.35 175.17 1si2 s LYS 264 N -4.88 3.74 0.16 1.70 2.20 -1.26 -1.40 119.74 120.00 1si2 s LYS 264 Ca 0.56 -0.19 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1si2 s LYS 264 Cb -0.11 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1si2 s LYS 264 CO 0.48 0.57 -0.16 0.14 -0.36 0.00 0.00 175.35 176.01 1si2 s VAL 265 N -0.42 1.67 -0.07 4.02 -7.23 0.12 -0.32 120.40 118.17 1si2 s VAL 265 Ca 0.12 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1si2 s VAL 265 Cb -0.12 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.00 1si2 s VAL 265 CO 0.01 -0.42 -0.21 -1.83 -0.31 0.00 0.00 175.10 172.35 1si2 s GLU 266 N -3.01 2.37 0.41 4.82 -1.05 0.21 0.23 118.70 122.69 1si2 s GLU 266 Ca 0.16 -0.74 -0.25 0.00 -0.15 0.00 0.00 54.97 53.98 1si2 s GLU 266 Cb -0.04 -1.93 -0.08 0.00 -0.44 0.00 0.00 34.13 31.64 1si2 s GLU 266 CO 0.06 0.23 1.26 0.08 0.95 0.00 0.00 175.26 177.83 1si2 s VAL 267 N 0.18 2.76 0.00 1.83 1.01 -0.43 -2.00 120.40 123.76 1si2 s VAL 267 Ca -0.10 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1si2 s VAL 267 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1si2 s VAL 267 CO 0.05 0.08 0.34 0.35 0.00 0.00 0.00 175.10 175.91 1si2 n THR 268 N 0.02 0.00 1.06 3.92 -2.24 0.38 -4.45 114.28 112.97 1si2 n THR 268 Ca 0.04 -0.49 0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1si2 n THR 268 Cb 0.45 1.01 0.29 0.00 -2.10 0.00 0.00 70.33 69.98 1si2 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1si2 n HIS 269 N -0.31 0.32 -1.48 4.78 1.44 -1.26 -4.12 115.22 114.59 1si2 n HIS 269 Ca 0.00 -0.16 0.05 0.00 -2.01 0.00 0.00 57.72 55.60 1si2 n HIS 269 Cb 0.00 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.31 1si2 n HIS 269 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1si2 n GLY 271 N -1.16 3.11 0.71 0.00 0.00 -1.26 -2.29 105.19 104.30 1si2 n GLY 271 Ca 0.20 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1si2 n GLY 271 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1si2 n GLN 272 N 11.42 1.96 -2.56 1.61 1.13 -1.26 -4.47 117.38 125.21 1si2 n GLN 272 Ca 0.00 -1.41 -0.43 0.00 -1.94 0.00 0.00 57.00 53.22 1si2 n GLN 272 Cb 0.00 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1si2 n GLN 272 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1si2 n MET 273 N 0.68 3.59 -1.89 -1.09 1.56 -0.97 -4.88 117.12 114.12 1si2 n MET 273 Ca 0.17 -3.68 -0.42 0.00 -0.27 0.00 0.00 57.70 53.50 1si2 n MET 273 Cb 0.44 -2.93 -0.00 0.00 2.15 0.00 0.00 33.22 32.88 1si2 n MET 273 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1si2 n LYS 274 N 4.24 3.22 -1.72 2.12 5.02 -1.26 -4.60 118.16 125.17 1si2 n LYS 274 Ca 0.38 -2.88 -0.43 0.00 -2.02 0.00 0.00 58.31 53.36 1si2 n LYS 274 Cb 0.38 -3.12 -0.02 0.00 -0.02 0.00 0.00 35.03 32.26 1si2 n LYS 274 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1si2 n ARG 275 N 5.05 2.46 -3.89 1.97 0.63 -1.26 -4.55 116.66 117.07 1si2 n ARG 275 Ca 0.51 0.87 -0.36 0.00 -0.92 0.00 0.00 57.85 57.95 1si2 n ARG 275 Cb 0.36 -2.60 -0.06 0.00 0.45 0.00 0.00 32.46 30.62 1si2 n ARG 275 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1si2 s LYS 276 N -0.77 3.44 0.10 -0.14 1.02 -1.26 -1.31 119.74 120.82 1si2 s LYS 276 Ca 0.63 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.48 1si2 s LYS 276 Cb -0.54 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1si2 s LYS 276 CO 0.52 0.76 -0.08 0.71 -0.92 0.00 0.00 175.35 176.34 1si2 s TYR 277 N -1.09 0.96 -0.24 3.18 1.51 0.14 -4.97 117.35 116.83 1si2 s TYR 277 Ca 0.17 -0.82 -0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1si2 s TYR 277 Cb -0.12 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1si2 s TYR 277 CO 0.07 -0.08 0.10 0.50 -1.11 0.00 0.00 175.55 175.03 1si2 s ARG 278 N -3.49 3.80 -0.08 -0.62 6.06 -1.26 0.10 118.95 123.46 1si2 s ARG 278 Ca 0.10 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.63 1si2 s ARG 278 Cb 0.02 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.60 1si2 s ARG 278 CO -0.03 -0.09 1.30 0.08 -2.50 0.00 0.00 175.30 174.06 1si2 s VAL 279 N 1.41 4.09 -0.43 7.11 1.01 -0.49 -2.39 120.40 130.71 1si2 s VAL 279 Ca 0.06 1.39 0.12 0.00 0.00 0.00 0.00 61.98 63.55 1si2 s VAL 279 Cb -0.15 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 1si2 s VAL 279 CO 0.05 -0.05 0.44 0.00 0.00 0.00 0.00 175.10 175.54 1si2 s ASN 281 N -2.37 -0.05 -0.07 0.00 3.04 -1.17 -4.83 114.94 109.48 1si2 s ASN 281 Ca 0.02 -0.22 0.04 0.00 0.04 0.00 0.00 52.86 52.74 1si2 s ASN 281 Cb 0.08 0.22 0.00 0.00 -1.54 0.00 0.00 41.25 40.02 1si2 s ASN 281 CO 0.48 -0.42 -0.20 -0.69 -3.04 0.00 0.00 177.10 173.23 1si2 s VAL 282 N -2.41 1.72 0.74 -5.21 1.01 -1.26 -0.41 120.40 114.59 1si2 s VAL 282 Ca 0.18 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1si2 s VAL 282 Cb 0.03 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1si2 s VAL 282 CO -0.02 0.49 1.10 0.42 0.00 0.00 0.00 175.10 177.09 1si2 s THR 283 N 0.27 3.24 -0.04 3.92 -4.23 -0.06 -4.94 115.64 113.79 1si2 s THR 283 Ca -0.12 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 1si2 s THR 283 Cb -0.15 -2.93 -0.24 0.00 1.34 0.00 0.00 72.50 70.51 1si2 s THR 283 CO 0.06 -0.48 0.67 0.03 -0.54 0.00 0.00 174.62 174.36 1si2 h ARG 284 N -0.81 0.08 -6.55 3.99 3.08 -2.01 -3.42 114.38 108.74 1si2 h ARG 284 Ca -0.44 -0.13 -0.52 0.00 0.07 0.00 0.00 59.98 58.95 1si2 h ARG 284 Cb 1.24 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 1si2 h ARG 284 CO 0.52 0.73 0.05 1.03 -1.07 0.00 0.00 179.97 181.23 1si2 s ARG 285 N -2.60 4.10 0.82 0.04 0.52 -1.26 -4.93 118.95 115.64 1si2 s ARG 285 Ca -0.08 0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 55.71 1si2 s ARG 285 Cb 0.08 -2.75 0.09 0.00 0.52 0.00 0.00 34.95 32.88 1si2 s ARG 285 CO 0.82 0.34 1.09 -2.14 0.02 0.00 0.00 175.30 175.43 1si2 s PRO 286 N -2.30 1.85 0.52 3.54 0.02 -1.26 -4.18 135.00 133.18 1si2 s PRO 286 Ca 0.45 0.91 0.20 0.00 0.02 0.00 0.00 61.00 62.59 1si2 s PRO 286 Cb -0.14 -1.87 1.32 0.00 0.02 0.00 0.00 34.50 33.83 1si2 s PRO 286 CO 0.20 -1.86 2.07 0.00 -0.33 0.00 0.00 177.00 177.08 1si2 h ALA 287 N -1.27 2.24 -0.06 -1.55 0.00 -0.81 0.86 119.26 118.67 1si2 h ALA 287 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1si2 h ALA 287 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1si2 h ALA 287 CO 0.54 -0.32 -0.10 0.66 0.00 0.00 0.00 179.25 180.03 1si2 h SER 288 N 0.02 0.07 0.00 0.00 4.64 -0.95 -2.82 113.55 114.52 1si2 h SER 288 Ca 0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1si2 h SER 288 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1si2 h SER 288 CO -0.00 0.19 -1.08 1.41 -0.87 0.00 0.00 176.83 176.48 1si2 n HIS 289 N -4.37 0.00 -1.68 4.77 8.25 0.72 -4.83 115.22 118.09 1si2 n HIS 289 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1si2 n HIS 289 Cb 0.20 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1si2 n HIS 289 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1si2 n GLN 290 N -1.59 2.74 -4.20 -0.41 -0.06 0.26 -4.91 117.38 109.21 1si2 n GLN 290 Ca -0.01 1.00 -0.23 0.00 -2.00 0.00 0.00 57.00 55.76 1si2 n GLN 290 Cb 0.14 -2.91 -0.06 0.00 -4.06 0.00 0.00 30.24 23.35 1si2 n GLN 290 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1si2 s THR 291 N 3.39 3.95 0.05 1.69 -1.32 -1.26 -2.14 115.64 120.00 1si2 s THR 291 Ca 0.85 -1.58 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 1si2 s THR 291 Cb -0.49 -3.09 0.06 0.00 -1.51 0.00 0.00 72.50 67.46 1si2 s THR 291 CO 0.40 -0.30 0.56 0.72 -2.21 0.00 0.00 174.62 173.79 1si2 s PHE 292 N -2.11 -0.48 -0.79 9.09 -0.71 -0.27 -4.96 117.98 117.76 1si2 s PHE 292 Ca 0.31 0.54 -0.25 0.00 -1.04 0.00 0.00 56.93 56.49 1si2 s PHE 292 Cb -0.08 0.39 -0.08 0.00 -1.21 0.00 0.00 43.02 42.05 1si2 s PHE 292 CO 0.22 -0.68 2.16 -2.14 -1.34 0.00 0.00 175.22 173.44 1si2 s PRO 293 N -2.52 2.15 -0.15 1.99 0.02 -1.26 -1.34 135.00 133.89 1si2 s PRO 293 Ca -0.05 0.28 -0.14 0.00 0.02 0.00 0.00 61.00 61.11 1si2 s PRO 293 Cb -0.01 -4.83 -0.05 0.00 0.02 0.00 0.00 34.50 29.64 1si2 s PRO 293 CO -0.02 -3.71 0.30 -1.17 -0.33 0.00 0.00 177.00 172.07 1si2 s LEU 294 N 11.99 4.25 -0.95 -5.54 2.96 -1.26 -4.95 118.68 125.18 1si2 s LEU 294 Ca 0.81 0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 55.08 1si2 s LEU 294 Cb -0.11 -2.38 0.16 0.00 0.50 0.00 0.00 46.19 44.36 1si2 s LEU 294 CO 0.08 0.11 1.09 0.00 -1.32 0.00 0.00 176.35 176.31 1si2 s GLN 295 N 0.39 3.69 0.34 1.98 -2.07 -1.26 -4.49 119.66 118.24 1si2 s GLN 295 Ca 0.17 -2.07 0.00 0.00 -1.82 0.00 0.00 55.36 51.64 1si2 s GLN 295 Cb -0.13 -4.83 0.00 0.00 -1.09 0.00 0.00 33.01 26.96 1si2 s GLN 295 CO 0.04 -1.66 0.00 1.33 -1.32 0.00 0.00 175.29 173.69 1si2 n VAL 302 N 4.97 -4.90 -2.51 3.63 0.24 -1.26 -5.25 118.33 113.24 1si2 n VAL 302 Ca 0.24 2.18 -0.36 0.00 -2.04 0.00 0.00 64.34 64.35 1si2 n VAL 302 Cb 0.47 -3.01 -0.04 0.00 -1.47 0.00 0.00 33.84 29.80 1si2 n VAL 302 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1si2 s GLU 303 N -2.72 4.06 0.19 7.34 2.02 -1.26 -4.76 118.70 123.56 1si2 s GLU 303 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1si2 s GLU 303 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1si2 s GLU 303 CO 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 175.26 175.11 1si2 s THR 305 N -3.90 5.36 0.42 0.00 2.01 -1.26 -1.11 115.64 117.16 1si2 s THR 305 Ca 0.30 0.38 0.13 0.00 0.31 0.00 0.00 61.69 62.82 1si2 s THR 305 Cb 0.07 -3.53 0.33 0.00 0.01 0.00 0.00 72.50 69.38 1si2 s THR 305 CO 0.07 0.49 1.95 -0.37 -0.69 0.00 0.00 174.62 176.07 1si2 h VAL 306 N 4.38 0.87 -0.61 3.82 -1.51 -1.55 0.25 116.25 121.90 1si2 h VAL 306 Ca -0.46 -0.16 -0.06 0.00 -1.23 0.00 0.00 66.70 64.79 1si2 h VAL 306 Cb 1.18 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 1si2 h VAL 306 CO 0.69 0.08 0.14 0.00 -1.23 0.00 0.00 177.57 177.26 1si2 h ALA 307 N 1.66 0.80 0.06 5.19 0.00 -1.78 -2.53 119.26 122.67 1si2 h ALA 307 Ca 0.32 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1si2 h ALA 307 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1si2 h ALA 307 CO -0.10 0.52 -0.09 1.96 0.00 0.00 0.00 179.25 181.54 1si2 h GLN 308 N 0.89 -0.17 -0.51 0.00 4.20 -1.30 -2.70 115.11 115.51 1si2 h GLN 308 Ca 0.19 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1si2 h GLN 308 Cb 0.37 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 1si2 h GLN 308 CO 0.00 -0.12 -0.41 -0.92 -0.67 0.00 0.00 178.83 176.71 1si2 h TYR 309 N -0.18 -1.20 0.00 2.96 3.20 -0.86 0.77 116.97 121.66 1si2 h TYR 309 Ca 0.01 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1si2 h TYR 309 Cb 0.19 0.60 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1si2 h TYR 309 CO -0.13 -0.42 0.00 1.19 -1.64 0.00 0.00 178.16 177.16 1si2 n PHE 310 N -5.41 0.00 -0.08 -3.82 3.01 -0.98 -0.26 117.46 109.91 1si2 n PHE 310 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 1si2 n PHE 310 Cb 0.35 -0.47 -0.14 0.00 -0.01 0.00 0.00 39.48 39.21 1si2 n PHE 310 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1si2 n LYS 311 N -1.47 0.68 -0.05 -1.08 0.00 0.70 0.85 118.16 117.79 1si2 n LYS 311 Ca 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 58.31 58.47 1si2 n LYS 311 Cb 0.16 -1.59 -0.00 0.00 0.00 0.00 0.00 35.03 33.59 1si2 n LYS 311 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1si2 h GLN 312 N 0.01 0.00 -0.12 1.64 4.20 0.83 -2.59 115.11 119.07 1si2 h GLN 312 Ca -0.50 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.06 1si2 h GLN 312 Cb 2.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.83 1si2 h GLN 312 CO 0.00 0.00 -0.56 -0.22 -0.67 0.00 0.00 178.83 177.39 1si2 h LYS 313 N -0.91 0.37 -0.00 1.46 3.64 -0.84 -3.31 116.57 116.97 1si2 h LYS 313 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1si2 h LYS 313 Cb 0.13 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1si2 h LYS 313 CO 0.00 0.83 -0.11 0.66 -2.27 0.00 0.00 179.45 178.55 1si2 n TYR 314 N -3.93 0.00 -3.59 1.91 4.01 -1.23 -5.03 117.16 109.31 1si2 n TYR 314 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 1si2 n TYR 314 Cb 0.60 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.66 1si2 n TYR 314 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1si2 n ASN 315 N -0.30 -5.68 -3.46 7.72 2.85 -0.86 -4.90 115.26 110.64 1si2 n ASN 315 Ca 0.02 -0.89 -0.18 0.00 -0.11 0.00 0.00 54.58 53.42 1si2 n ASN 315 Cb 0.12 -3.58 -0.12 0.00 1.24 0.00 0.00 39.78 37.45 1si2 n ASN 315 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1si2 s LEU 316 N -5.99 -0.12 0.15 1.20 0.05 0.25 -4.92 118.68 109.30 1si2 s LEU 316 Ca 0.39 -0.50 -0.31 0.00 0.05 0.00 0.00 54.13 53.75 1si2 s LEU 316 Cb -0.13 0.39 -0.10 0.00 -2.05 0.00 0.00 46.19 44.31 1si2 s LEU 316 CO 0.84 -0.36 1.56 -1.10 -0.55 0.00 0.00 176.35 176.74 1si2 s GLN 317 N 2.33 4.22 0.25 1.48 -1.52 -1.26 -3.81 119.66 121.35 1si2 s GLN 317 Ca 0.08 2.33 -0.30 0.00 -1.95 0.00 0.00 55.36 55.53 1si2 s GLN 317 Cb -0.15 -3.19 -0.09 0.00 -0.22 0.00 0.00 33.01 29.36 1si2 s GLN 317 CO -0.22 -0.60 1.22 -0.51 -0.25 0.00 0.00 175.29 174.92 1si2 s LEU 318 N 1.24 4.47 0.26 2.90 1.43 -1.26 -4.93 118.68 122.78 1si2 s LEU 318 Ca 0.70 2.38 0.06 0.00 -1.03 0.00 0.00 54.13 56.24 1si2 s LEU 318 Cb -0.43 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.50 1si2 s LEU 318 CO 0.31 -0.38 1.61 0.11 0.23 0.00 0.00 176.35 178.24 1si2 h LYS 319 N 4.46 0.21 -2.13 1.70 1.57 -2.01 -3.37 116.57 117.00 1si2 h LYS 319 Ca -0.46 -0.13 -0.58 0.00 -1.87 0.00 0.00 60.65 57.62 1si2 h LYS 319 Cb 1.22 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.13 1si2 h LYS 319 CO 0.71 0.70 -0.80 0.66 -0.57 0.00 0.00 179.45 180.15 1si2 n TYR 320 N -3.91 2.24 0.35 -1.35 4.02 -1.26 -4.89 117.16 112.36 1si2 n TYR 320 Ca -0.02 -3.93 0.10 0.00 -0.01 0.00 0.00 57.90 54.04 1si2 n TYR 320 Cb 0.57 -0.48 0.43 0.00 -0.02 0.00 0.00 39.34 39.84 1si2 n TYR 320 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1si2 n PRO 321 N 0.79 0.13 0.17 -0.72 -0.02 -1.26 -2.29 135.00 131.80 1si2 n PRO 321 Ca 0.27 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1si2 n PRO 321 Cb 0.46 -1.77 0.09 0.00 -0.02 0.00 0.00 33.50 32.27 1si2 n PRO 321 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1si2 h HIS 322 N 0.00 0.00 -3.71 6.00 2.07 -1.92 0.18 115.15 117.77 1si2 h HIS 322 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 1si2 h HIS 322 Cb 0.25 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.26 1si2 h HIS 322 CO 0.00 0.00 0.15 -0.51 -3.07 0.00 0.00 177.93 174.50 1si2 s LEU 323 N -5.81 3.64 1.21 6.12 1.43 -0.97 -4.54 118.68 119.76 1si2 s LEU 323 Ca 0.04 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 1si2 s LEU 323 Cb 0.07 -4.00 0.29 0.00 0.03 0.00 0.00 46.19 42.58 1si2 s LEU 323 CO 0.72 -0.56 1.09 -2.84 0.23 0.00 0.00 176.35 174.99 1si2 s PRO 324 N -4.51 -1.27 0.24 1.29 0.02 -1.26 -1.90 135.00 127.61 1si2 s PRO 324 Ca 0.50 0.02 0.09 0.00 0.02 0.00 0.00 61.00 61.63 1si2 s PRO 324 Cb -0.10 -1.58 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 1si2 s PRO 324 CO 0.42 -3.76 0.00 0.00 -0.33 0.00 0.00 177.00 173.33 1si2 s LEU 326 N -3.49 4.31 -0.18 0.00 1.43 0.11 -0.88 118.68 119.97 1si2 s LEU 326 Ca 0.30 0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1si2 s LEU 326 Cb -0.07 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1si2 s LEU 326 CO 0.20 0.12 0.07 -1.58 0.23 0.00 0.00 176.35 175.39 1si2 s GLN 327 N -2.21 4.01 0.21 1.70 0.74 0.46 -0.54 119.66 124.02 1si2 s GLN 327 Ca 0.36 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.54 1si2 s GLN 327 Cb -0.13 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 1si2 s GLN 327 CO 0.20 0.28 -0.15 0.14 -0.55 0.00 0.00 175.29 175.21 1si2 s VAL 328 N 0.35 1.85 0.00 1.34 -7.23 -0.32 -0.64 120.40 115.74 1si2 s VAL 328 Ca 0.04 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1si2 s VAL 328 Cb -0.12 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1si2 s VAL 328 CO -0.00 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 1si2 n GLY 329 N -0.38 -1.17 3.77 2.32 0.00 -1.01 -4.14 105.19 104.58 1si2 n GLY 329 Ca -0.08 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1si2 n GLY 329 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1si2 n GLN 330 N -0.10 2.71 0.01 1.61 6.02 -1.26 -4.75 117.38 121.61 1si2 n GLN 330 Ca 0.00 0.95 -0.02 0.00 -0.01 0.00 0.00 57.00 57.93 1si2 n GLN 330 Cb 0.00 -2.71 -0.01 0.00 1.02 0.00 0.00 30.24 28.54 1si2 n GLN 330 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1si2 h GLU 331 N 3.53 -0.07 0.00 -1.09 5.08 -2.00 -1.71 114.58 118.31 1si2 h GLU 331 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1si2 h GLU 331 Cb 1.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1si2 h GLU 331 CO 0.69 -0.05 0.30 1.04 -1.00 0.00 0.00 179.01 179.99 1si2 n GLN 332 N -2.85 0.00 0.10 2.33 6.02 -1.26 -0.09 117.38 121.63 1si2 n GLN 332 Ca -0.01 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.27 1si2 n GLN 332 Cb 0.04 -1.80 0.10 0.00 1.02 0.00 0.00 30.24 29.60 1si2 n GLN 332 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1si2 h LYS 333 N 0.00 0.00 -6.77 -1.09 3.64 -1.68 -3.48 116.57 107.19 1si2 h LYS 333 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1si2 h LYS 333 Cb 0.61 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1si2 h LYS 333 CO 0.00 0.00 -0.98 0.72 -2.27 0.00 0.00 179.45 176.92 1si2 n HIS 334 N -2.52 -1.50 -3.49 1.91 8.25 0.87 -4.95 115.22 113.80 1si2 n HIS 334 Ca 0.02 0.33 -0.38 0.00 -0.26 0.00 0.00 57.72 57.42 1si2 n HIS 334 Cb 0.50 -3.03 -0.10 0.00 1.12 0.00 0.00 29.99 28.48 1si2 n HIS 334 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1si2 s THR 335 N -3.73 5.24 -0.09 1.59 2.01 -1.26 -4.98 115.64 114.43 1si2 s THR 335 Ca 0.34 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.73 1si2 s THR 335 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1si2 s THR 335 CO 0.95 0.21 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.66 1si2 s TYR 336 N 1.87 2.80 -0.04 4.92 1.51 -1.26 -1.17 117.35 125.98 1si2 s TYR 336 Ca 0.11 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1si2 s TYR 336 Cb -0.16 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1si2 s TYR 336 CO 0.10 0.06 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.92 1si2 s LEU 337 N -0.31 1.94 0.38 -1.29 1.02 0.30 -4.91 118.68 115.82 1si2 s LEU 337 Ca 0.03 -0.36 -0.26 0.00 0.02 0.00 0.00 54.13 53.56 1si2 s LEU 337 Cb -0.13 -0.98 -0.09 0.00 0.02 0.00 0.00 46.19 45.01 1si2 s LEU 337 CO 0.03 0.17 1.21 -2.84 0.02 0.00 0.00 176.35 174.94 1si2 s PRO 338 N -0.05 4.11 0.27 1.29 0.02 -1.26 0.06 135.00 139.44 1si2 s PRO 338 Ca -0.02 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 1si2 s PRO 338 Cb -0.11 -2.78 0.47 0.00 0.02 0.00 0.00 34.50 32.10 1si2 s PRO 338 CO 0.02 -0.31 1.87 -0.07 -0.33 0.00 0.00 177.00 178.17 1si2 h LEU 339 N 2.82 1.00 -0.86 -5.54 3.38 -1.92 -2.86 115.31 111.33 1si2 h LEU 339 Ca -0.49 0.02 0.22 0.00 0.09 0.00 0.00 57.88 57.72 1si2 h LEU 339 Cb 1.24 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1si2 h LEU 339 CO 0.63 0.60 0.25 -0.33 0.09 0.00 0.00 178.44 179.68 1si2 h GLU 340 N 1.11 0.24 -0.07 1.13 5.08 -1.92 0.09 114.58 120.25 1si2 h GLU 340 Ca 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1si2 h GLU 340 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1si2 h GLU 340 CO -0.20 0.16 0.00 1.33 -1.00 0.00 0.00 179.01 179.30 1si2 n VAL 341 N -5.19 0.09 -4.71 3.13 0.24 -1.08 -4.88 118.33 105.93 1si2 n VAL 341 Ca 0.20 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.34 62.05 1si2 n VAL 341 Cb 0.64 -0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 32.85 1si2 n VAL 341 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1si2 s ASN 343 N -0.75 2.19 0.00 0.00 -0.87 -0.85 -0.76 114.94 113.90 1si2 s ASN 343 Ca 0.11 -0.34 -0.30 0.00 -1.57 0.00 0.00 52.86 50.76 1si2 s ASN 343 Cb -0.11 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.25 40.74 1si2 s ASN 343 CO 0.01 0.21 1.10 -0.63 -2.57 0.00 0.00 177.10 175.22 1si2 s ILE 344 N -0.32 4.47 -0.31 0.60 1.01 0.29 -0.62 121.20 126.32 1si2 s ILE 344 Ca 0.04 1.77 -0.23 0.00 0.00 0.00 0.00 60.65 62.23 1si2 s ILE 344 Cb -0.08 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 1si2 s ILE 344 CO 0.00 0.10 0.77 -0.69 0.00 0.00 0.00 174.94 175.12 1si2 s VAL 345 N 1.34 4.81 0.20 2.92 1.01 0.56 -2.91 120.40 128.34 1si2 s VAL 345 Ca 0.55 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1si2 s VAL 345 Cb -0.24 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 1si2 s VAL 345 CO 0.26 -0.24 0.99 0.00 0.00 0.00 0.00 175.10 176.11 1si2 s ALA 346 N 2.92 3.33 0.98 5.51 0.00 -1.26 -4.63 121.76 128.62 1si2 s ALA 346 Ca 0.32 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1si2 s ALA 346 Cb -0.14 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 19.90 1si2 s ALA 346 CO 0.13 0.04 1.12 0.20 0.00 0.00 0.00 175.76 177.24 1si2 s GLY 347 N -0.69 1.65 -0.14 0.00 0.00 -1.26 -4.99 107.32 101.89 1si2 s GLY 347 Ca 0.44 0.43 0.19 0.00 0.00 0.00 0.00 44.72 45.78 1si2 s GLY 347 CO 0.33 0.92 1.18 -1.06 0.00 0.00 0.00 173.10 174.47 1si2 n GLN 348 N -4.43 1.18 0.00 2.90 6.02 -1.26 -5.13 117.38 116.66 1si2 n GLN 348 Ca 0.10 -2.89 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 1si2 n GLN 348 Cb 0.53 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1si2 n GLN 348 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59