#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqc s THR 221 N 0.00 2.28 0.31 1.96 -4.23 -1.26 -4.89 115.64 109.81 1pqc s THR 221 Ca 0.00 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1pqc s THR 221 Cb 0.00 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1pqc s THR 221 CO 0.00 -0.12 1.76 0.00 -0.54 0.00 0.00 174.62 175.72 1pqc h ALA 222 N -1.70 1.19 -0.03 3.99 0.00 -2.05 -2.38 119.26 118.27 1pqc h ALA 222 Ca -0.52 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 53.91 1pqc h ALA 222 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1pqc h ALA 222 CO 0.58 0.53 -0.63 0.00 0.00 0.00 0.00 179.25 179.72 1pqc h ALA 223 N 1.40 0.89 -0.11 0.00 0.00 -1.98 0.23 119.26 119.69 1pqc h ALA 223 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1pqc h ALA 223 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pqc h ALA 223 CO 0.05 0.76 -0.25 1.96 0.00 0.00 0.00 179.25 181.77 1pqc h GLN 224 N 0.09 0.36 -0.72 0.00 4.20 -1.92 -2.59 115.11 114.53 1pqc h GLN 224 Ca -0.01 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.58 1pqc h GLN 224 Cb 1.13 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.86 1pqc h GLN 224 CO 0.09 0.84 0.31 0.93 -0.67 0.00 0.00 178.83 180.33 1pqc h GLU 225 N -0.07 0.48 -0.61 1.46 5.08 -1.32 -0.68 114.58 118.92 1pqc h GLU 225 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1pqc h GLU 225 Cb 0.84 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1pqc h GLU 225 CO 0.05 0.32 0.22 1.25 -1.00 0.00 0.00 179.01 179.85 1pqc h LEU 226 N 0.49 0.87 -0.27 1.33 5.85 -0.53 -1.60 115.31 121.45 1pqc h LEU 226 Ca 0.38 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 1pqc h LEU 226 Cb 0.51 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1pqc h LEU 226 CO -0.35 0.83 -0.65 0.00 -0.34 0.00 0.00 178.44 177.93 1pqc h MET 227 N 0.87 0.00 -0.52 1.25 -0.00 -1.11 -1.77 114.93 113.64 1pqc h MET 227 Ca 0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.78 1pqc h MET 227 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.83 1pqc h MET 227 CO -0.01 0.65 -0.14 0.82 -0.00 0.00 0.00 176.91 178.23 1pqc h ILE 228 N 0.00 1.27 -0.11 -0.10 2.04 -0.92 -0.74 117.51 118.95 1pqc h ILE 228 Ca -0.01 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1pqc h ILE 228 Cb 1.38 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1pqc h ILE 228 CO 0.08 0.45 0.04 -0.61 0.00 0.00 0.00 178.15 178.12 1pqc h GLN 229 N 0.88 0.17 -0.93 2.37 4.15 -1.12 -0.62 115.11 120.01 1pqc h GLN 229 Ca 0.13 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1pqc h GLN 229 Cb 0.71 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1pqc h GLN 229 CO 0.05 0.30 0.61 1.96 -1.93 0.00 0.00 178.83 179.82 1pqc h GLN 230 N 0.01 1.23 -0.75 1.69 4.20 -1.28 -0.71 115.11 119.50 1pqc h GLN 230 Ca 0.04 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1pqc h GLN 230 Cb 0.19 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1pqc h GLN 230 CO -0.00 0.83 0.34 -0.07 -0.67 0.00 0.00 178.83 179.26 1pqc h LEU 231 N 1.27 0.98 -0.13 1.46 3.38 -0.80 -1.19 115.31 120.29 1pqc h LEU 231 Ca 0.34 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1pqc h LEU 231 Cb -0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 1pqc h LEU 231 CO -0.07 0.84 -0.03 0.58 0.09 0.00 0.00 178.44 179.85 1pqc h VAL 232 N 1.07 1.29 -0.72 1.22 2.07 -0.65 -2.52 116.25 118.02 1pqc h VAL 232 Ca 0.26 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1pqc h VAL 232 Cb 0.13 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1pqc h VAL 232 CO -0.03 0.28 0.46 0.00 0.02 0.00 0.00 177.57 178.30 1pqc h ALA 233 N 0.70 0.92 -0.39 1.67 0.00 -1.03 -2.00 119.26 119.13 1pqc h ALA 233 Ca 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1pqc h ALA 233 Cb 0.45 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1pqc h ALA 233 CO 0.01 0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1pqc h ALA 234 N 1.29 0.27 -0.54 0.00 0.00 -1.17 -1.49 119.26 117.61 1pqc h ALA 234 Ca 0.28 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1pqc h ALA 234 Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pqc h ALA 234 CO -0.08 -0.45 0.36 0.37 0.00 0.00 0.00 179.25 179.45 1pqc h GLN 235 N 0.01 0.54 -0.18 0.00 4.15 -0.92 -1.54 115.11 117.17 1pqc h GLN 235 Ca 0.19 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 1pqc h GLN 235 Cb 0.28 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1pqc h GLN 235 CO -0.39 0.36 -0.27 1.25 -1.93 0.00 0.00 178.83 177.85 1pqc h LEU 236 N 0.56 0.54 -1.21 -2.39 5.85 -0.78 -3.10 115.31 114.79 1pqc h LEU 236 Ca 0.23 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1pqc h LEU 236 Cb 0.19 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1pqc h LEU 236 CO -0.06 0.96 -0.25 1.56 -0.34 0.00 0.00 178.44 180.31 1pqc h GLN 237 N 0.14 0.24 0.00 1.25 4.20 -0.93 -2.52 115.11 117.49 1pqc h GLN 237 Ca 0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pqc h GLN 237 Cb 0.85 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1pqc h GLN 237 CO 0.06 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.70 1pqc s ASN 239 N -5.60 5.41 0.00 0.00 2.47 -0.95 -4.70 114.94 111.57 1pqc s ASN 239 Ca 0.05 -0.45 0.10 0.00 0.42 0.00 0.00 52.86 52.98 1pqc s ASN 239 Cb 0.08 -2.55 0.24 0.00 -1.45 0.00 0.00 41.25 37.56 1pqc s ASN 239 CO 0.58 -2.42 1.15 0.29 -3.72 0.00 0.00 177.10 172.98 1pqc n LYS 240 N 9.00 2.40 0.14 0.43 5.02 -1.26 -4.70 118.16 129.18 1pqc n LYS 240 Ca 0.31 -1.82 -0.15 0.00 -2.02 0.00 0.00 58.31 54.63 1pqc n LYS 240 Cb 0.49 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 1pqc n LYS 240 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pqc h ARG 241 N 1.86 -0.65 -0.04 1.97 3.08 -1.97 -1.90 114.38 116.73 1pqc h ARG 241 Ca 0.00 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1pqc h ARG 241 Cb 0.65 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1pqc h ARG 241 CO 0.00 -0.43 0.12 0.66 -1.07 0.00 0.00 179.97 179.25 1pqc h SER 242 N -0.67 0.00 -2.58 7.04 4.64 -2.00 -3.52 113.55 116.45 1pqc h SER 242 Ca 0.01 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.74 1pqc h SER 242 Cb 0.68 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.38 1pqc h SER 242 CO -0.21 0.00 -0.87 0.72 -0.87 0.00 0.00 176.83 175.60 1pqc s PHE 243 N -4.31 1.65 0.00 4.77 -0.00 -0.72 -5.24 117.98 114.13 1pqc s PHE 243 Ca -0.05 -2.52 0.00 0.00 -0.00 0.00 0.00 56.93 54.36 1pqc s PHE 243 Cb 0.13 -1.35 0.00 0.00 -0.00 0.00 0.00 43.02 41.80 1pqc s PHE 243 CO 0.43 -0.76 0.00 1.63 -0.00 0.00 0.00 175.22 176.51 1pqc n LYS 248 N 2.74 0.00 -4.08 1.99 4.76 -1.26 -5.01 118.16 117.29 1pqc n LYS 248 Ca 0.26 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.37 1pqc n LYS 248 Cb 0.44 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.56 1pqc n LYS 248 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pqc s VAL 249 N 0.00 4.82 -0.14 -0.18 1.01 -1.26 -5.03 120.40 119.62 1pqc s VAL 249 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 61.98 61.22 1pqc s VAL 249 Cb 0.00 -3.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.99 1pqc s VAL 249 CO 0.00 0.38 1.26 0.41 0.00 0.00 0.00 175.10 177.14 1pqc n THR 250 N 1.25 0.01 -1.76 3.92 -1.04 -1.26 -4.81 114.28 110.59 1pqc n THR 250 Ca -0.13 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1pqc n THR 250 Cb 0.53 -0.24 0.01 0.00 -1.82 0.00 0.00 70.33 68.81 1pqc n THR 250 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1pqc n PRO 251 N 2.38 2.47 -2.21 -2.82 -0.02 -1.26 -4.71 135.00 128.84 1pqc n PRO 251 Ca 0.23 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.16 1pqc n PRO 251 Cb 0.05 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 30.88 1pqc n PRO 251 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1pqc s TRP 252 N -1.15 2.39 -0.89 6.00 -0.11 -1.26 -4.88 118.94 119.05 1pqc s TRP 252 Ca 0.56 0.58 -0.24 0.00 1.22 0.00 0.00 56.10 58.23 1pqc s TRP 252 Cb -0.47 -3.72 -0.19 0.00 -1.50 0.00 0.00 33.47 27.59 1pqc s TRP 252 CO 0.61 -2.82 2.14 -0.35 -4.62 0.00 0.00 176.95 171.91 1pqc n PRO 253 N 6.87 0.25 -2.04 5.86 -0.04 -1.26 -5.15 135.00 139.49 1pqc n PRO 253 Ca 0.16 -1.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.02 1pqc n PRO 253 Cb 0.44 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 1pqc n PRO 253 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pqc n LEU 254 N 17.61 6.61 0.00 1.53 4.77 -1.26 -5.13 117.00 141.13 1pqc n LEU 254 Ca 0.41 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 52.07 1pqc n LEU 254 Cb 0.44 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1pqc n LEU 254 CO 0.59 1.13 0.00 0.00 -1.33 0.00 0.00 177.39 177.79 1pqc n GLN 259 N 5.42 0.00 -2.08 3.23 6.02 -1.26 -5.29 117.38 123.42 1pqc n GLN 259 Ca 0.47 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 57.05 1pqc n GLN 259 Cb 0.39 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.62 1pqc n GLN 259 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pqc s SER 260 N 0.00 6.72 -0.01 1.08 0.15 -1.26 -4.96 113.70 115.43 1pqc s SER 260 Ca 0.00 2.68 -0.17 0.00 0.70 0.00 0.00 55.95 59.16 1pqc s SER 260 Cb 0.00 -2.64 -0.34 0.00 -1.71 0.00 0.00 66.02 61.33 1pqc s SER 260 CO 0.00 -0.60 0.91 0.03 1.20 0.00 0.00 173.24 174.77 1pqc h ARG 261 N 4.04 0.45 -0.45 5.44 -0.00 -2.01 -1.13 114.38 120.73 1pqc h ARG 261 Ca -0.48 -0.76 -0.01 0.00 -0.50 0.00 0.00 59.98 58.23 1pqc h ARG 261 Cb 1.22 0.28 -0.02 0.00 0.00 0.00 0.00 29.97 31.45 1pqc h ARG 261 CO 0.70 1.37 0.25 -0.44 0.00 0.00 0.00 179.97 181.84 1pqc h ASP 262 N -0.02 0.54 0.98 7.04 3.45 -2.00 -2.14 116.42 124.26 1pqc h ASP 262 Ca -0.24 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.06 1pqc h ASP 262 Cb 2.00 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 40.62 1pqc h ASP 262 CO 0.22 0.43 -0.59 0.00 -1.57 0.00 0.00 179.24 177.73 1pqc h ALA 263 N 1.66 0.78 0.48 3.45 0.00 -1.95 -2.17 119.26 121.50 1pqc h ALA 263 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1pqc h ALA 263 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pqc h ALA 263 CO -0.03 0.74 -0.23 -0.09 0.00 0.00 0.00 179.25 179.64 1pqc h ARG 264 N 0.00 -0.63 -0.55 0.00 2.43 -0.79 -2.08 114.38 112.76 1pqc h ARG 264 Ca -0.01 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1pqc h ARG 264 Cb 1.24 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1pqc h ARG 264 CO 0.08 -0.33 0.37 0.37 -1.51 0.00 0.00 179.97 178.94 1pqc h GLN 265 N -0.88 0.57 -0.27 0.20 4.15 -1.42 -1.55 115.11 115.91 1pqc h GLN 265 Ca -0.07 -0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.14 1pqc h GLN 265 Cb 0.59 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1pqc h GLN 265 CO 0.11 0.38 -0.55 0.37 -1.93 0.00 0.00 178.83 177.21 1pqc h GLN 266 N 0.59 0.83 -0.26 1.69 4.15 -1.37 -2.05 115.11 118.68 1pqc h GLN 266 Ca 0.23 -0.52 -0.08 0.00 0.77 0.00 0.00 58.65 59.04 1pqc h GLN 266 Cb 0.17 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1pqc h GLN 266 CO -0.06 1.16 -0.19 0.00 -1.93 0.00 0.00 178.83 177.81 1pqc h ARG 267 N 0.63 0.46 -0.32 1.69 3.08 -0.63 -1.75 114.38 117.54 1pqc h ARG 267 Ca 0.01 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1pqc h ARG 267 Cb 1.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1pqc h ARG 267 CO 0.12 0.63 -0.07 0.35 -1.07 0.00 0.00 179.97 179.93 1pqc h PHE 268 N 0.42 0.69 -0.11 3.04 3.57 -1.24 -2.19 116.94 121.12 1pqc h PHE 268 Ca 0.07 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1pqc h PHE 268 Cb 0.57 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1pqc h PHE 268 CO 0.02 0.79 0.01 0.00 -2.23 0.00 0.00 178.31 176.89 1pqc h ALA 269 N 0.80 0.10 -0.73 2.41 0.00 -1.24 0.37 119.26 120.97 1pqc h ALA 269 Ca 0.08 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1pqc h ALA 269 Cb 0.56 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 1pqc h ALA 269 CO 0.03 -0.45 -0.10 1.25 0.00 0.00 0.00 179.25 179.98 1pqc h HIS 270 N 0.05 -0.24 -0.57 0.00 -0.00 -1.20 0.60 115.15 113.79 1pqc h HIS 270 Ca 0.05 0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 1pqc h HIS 270 Cb 0.05 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 1pqc h HIS 270 CO -0.12 -0.28 0.05 0.74 -0.00 0.00 0.00 177.93 178.32 1pqc h PHE 271 N 0.04 1.01 -0.60 5.26 -1.00 -0.73 -2.04 116.94 118.88 1pqc h PHE 271 Ca 0.37 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 1pqc h PHE 271 Cb 0.61 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1pqc h PHE 271 CO -0.51 0.88 0.24 1.15 -1.61 0.00 0.00 178.31 178.46 1pqc h THR 272 N 0.89 1.21 0.00 -1.55 2.02 0.12 -1.46 112.91 114.14 1pqc h THR 272 Ca 0.17 -0.66 -0.22 0.00 0.77 0.00 0.00 66.41 66.48 1pqc h THR 272 Cb 0.45 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1pqc h THR 272 CO 0.02 0.26 -1.07 -0.33 0.37 0.00 0.00 175.52 174.77 1pqc h GLU 273 N 0.86 0.00 -0.20 6.66 5.08 -0.72 -1.47 114.58 124.79 1pqc h GLU 273 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1pqc h GLU 273 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pqc h GLU 273 CO -0.02 0.92 0.01 -0.07 -1.00 0.00 0.00 179.01 178.85 1pqc h LEU 274 N 0.00 0.34 -0.97 1.33 3.38 -1.17 -2.40 115.31 115.82 1pqc h LEU 274 Ca -0.04 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1pqc h LEU 274 Cb 1.79 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.38 1pqc h LEU 274 CO 0.12 0.55 0.62 0.00 0.09 0.00 0.00 178.44 179.83 1pqc h ALA 275 N 0.80 1.33 -0.52 1.53 0.00 -1.22 -1.91 119.26 119.27 1pqc h ALA 275 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pqc h ALA 275 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pqc h ALA 275 CO 0.01 0.43 0.33 0.82 0.00 0.00 0.00 179.25 180.84 1pqc h ILE 276 N 1.15 1.14 -0.98 0.00 2.04 -1.20 0.35 117.51 120.02 1pqc h ILE 276 Ca 0.41 -0.29 0.16 0.00 1.00 0.00 0.00 64.86 66.14 1pqc h ILE 276 Cb 0.13 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1pqc h ILE 276 CO -0.16 0.14 0.61 0.40 0.00 0.00 0.00 178.15 179.15 1pqc h ILE 277 N 0.70 0.81 -0.26 -0.67 2.04 -0.84 -2.10 117.51 117.20 1pqc h ILE 277 Ca 0.19 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 1pqc h ILE 277 Cb -0.05 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 35.94 1pqc h ILE 277 CO -0.04 0.15 -0.27 0.28 0.00 0.00 0.00 178.15 178.27 1pqc h SER 278 N 0.82 0.68 -0.66 1.72 0.02 -0.60 -2.48 113.55 113.04 1pqc h SER 278 Ca 0.52 -0.48 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1pqc h SER 278 Cb 0.73 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.99 1pqc h SER 278 CO -0.29 1.02 0.24 0.58 -1.14 0.00 0.00 176.83 177.24 1pqc h VAL 279 N 0.36 0.70 -0.11 2.27 2.07 -0.45 -0.04 116.25 121.05 1pqc h VAL 279 Ca 0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1pqc h VAL 279 Cb 0.84 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1pqc h VAL 279 CO 0.07 0.07 0.05 1.56 0.02 0.00 0.00 177.57 179.34 1pqc h GLN 280 N 0.40 0.15 -0.65 1.57 4.20 -1.31 -1.62 115.11 117.85 1pqc h GLN 280 Ca 0.35 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.05 1pqc h GLN 280 Cb 0.49 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1pqc h GLN 280 CO -0.36 0.21 0.42 0.93 -0.67 0.00 0.00 178.83 179.36 1pqc h GLU 281 N 0.05 0.83 -0.36 1.46 5.08 -0.94 -1.89 114.58 118.82 1pqc h GLU 281 Ca 0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1pqc h GLU 281 Cb 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1pqc h GLU 281 CO -0.00 0.55 -0.02 0.82 -1.00 0.00 0.00 179.01 179.36 1pqc h ILE 282 N 0.86 1.21 -0.42 3.13 2.04 -0.85 -0.08 117.51 123.40 1pqc h ILE 282 Ca 0.24 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 1pqc h ILE 282 Cb -0.07 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1pqc h ILE 282 CO -0.06 0.29 -0.15 0.58 0.00 0.00 0.00 178.15 178.81 1pqc h VAL 283 N 0.54 1.28 -0.56 1.67 2.07 -0.70 -1.41 116.25 119.14 1pqc h VAL 283 Ca 0.11 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 1pqc h VAL 283 Cb 0.37 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1pqc h VAL 283 CO 0.01 0.43 -0.06 0.44 0.02 0.00 0.00 177.57 178.41 1pqc h ASP 284 N 0.66 1.02 -0.24 0.57 3.45 -1.15 -2.87 116.42 117.85 1pqc h ASP 284 Ca 0.10 -0.33 -0.02 0.00 0.43 0.00 0.00 57.03 57.20 1pqc h ASP 284 Cb 0.70 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1pqc h ASP 284 CO 0.05 1.11 0.07 0.15 -1.57 0.00 0.00 179.24 179.05 1pqc h PHE 285 N 0.91 0.40 -0.91 4.55 3.57 -0.90 -2.99 116.94 121.57 1pqc h PHE 285 Ca 0.15 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1pqc h PHE 285 Cb 0.63 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1pqc h PHE 285 CO 0.04 0.46 0.59 0.00 -2.23 0.00 0.00 178.31 177.17 1pqc h ALA 286 N 0.89 1.53 0.00 2.41 0.00 -1.18 0.50 119.26 123.42 1pqc h ALA 286 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pqc h ALA 286 Cb 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pqc h ALA 286 CO -0.00 0.32 -0.05 0.87 0.00 0.00 0.00 179.25 180.39 1pqc h LYS 287 N 1.01 0.00 -0.01 0.00 6.56 -1.37 -1.83 116.57 120.93 1pqc h LYS 287 Ca 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.99 1pqc h LYS 287 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1pqc h LYS 287 CO -0.16 0.05 -0.10 1.04 -2.06 0.00 0.00 179.45 178.23 1pqc n GLN 288 N -4.14 1.49 -2.80 3.15 1.13 0.15 -4.74 117.38 111.62 1pqc n GLN 288 Ca -0.03 -0.96 -0.42 0.00 -1.94 0.00 0.00 57.00 53.65 1pqc n GLN 288 Cb 0.13 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 1pqc n GLN 288 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pqc s VAL 289 N -2.17 4.74 0.31 5.09 1.01 -0.69 -4.93 120.40 123.78 1pqc s VAL 289 Ca 0.32 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1pqc s VAL 289 Cb 0.20 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 1pqc s VAL 289 CO 0.40 -0.18 1.46 -2.65 0.00 0.00 0.00 175.10 174.13 1pqc n PRO 290 N 6.23 2.43 0.00 2.72 -0.02 -1.26 -2.06 135.00 143.03 1pqc n PRO 290 Ca 0.08 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1pqc n PRO 290 Cb 0.47 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1pqc n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pqc n GLY 291 N 1.45 3.05 0.25 -1.23 0.00 -1.26 -4.91 105.19 102.53 1pqc n GLY 291 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1pqc n GLY 291 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pqc h PHE 292 N 0.00 -0.55 0.00 1.61 3.57 -1.68 -1.45 116.94 118.44 1pqc h PHE 292 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pqc h PHE 292 Cb 0.00 0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1pqc h PHE 292 CO 0.00 -0.31 0.00 1.28 -2.23 0.00 0.00 178.31 177.05 1pqc n LEU 293 N -5.33 0.00 -0.04 0.59 4.77 -1.26 -2.20 117.00 113.53 1pqc n LEU 293 Ca -0.07 0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 1pqc n LEU 293 Cb 0.25 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1pqc n LEU 293 CO 0.28 -0.12 0.39 1.56 -1.33 0.00 0.00 177.39 178.17 1pqc h GLN 294 N 0.00 0.62 -6.88 3.23 7.50 -1.64 -3.45 115.11 114.48 1pqc h GLN 294 Ca 0.00 -0.46 -0.56 0.00 0.50 0.00 0.00 58.65 58.13 1pqc h GLN 294 Cb 0.20 0.08 0.18 0.00 0.05 0.00 0.00 27.48 27.99 1pqc h GLN 294 CO 0.00 1.08 0.03 1.28 -1.50 0.00 0.00 178.83 179.73 1pqc n LEU 295 N -4.18 3.17 -4.73 1.46 4.77 -0.93 -4.98 117.00 111.59 1pqc n LEU 295 Ca -0.07 0.69 -0.30 0.00 -0.03 0.00 0.00 56.01 56.30 1pqc n LEU 295 Cb 0.60 -1.37 0.13 0.00 -2.33 0.00 0.00 43.42 40.45 1pqc n LEU 295 CO 0.47 -2.16 0.68 -0.83 -1.33 0.00 0.00 177.39 174.22 1pqc s GLY 296 N -1.52 1.64 0.31 -0.72 0.00 -1.26 -4.77 107.32 100.99 1pqc s GLY 296 Ca 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1pqc s GLY 296 CO 0.50 0.50 1.98 -0.09 0.00 0.00 0.00 173.10 175.99 1pqc h ARG 297 N -1.44 1.05 -0.95 2.90 2.43 -1.94 -2.11 114.38 114.32 1pqc h ARG 297 Ca -0.48 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.72 1pqc h ARG 297 Cb 1.27 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 1pqc h ARG 297 CO 0.53 0.70 0.60 0.93 -1.51 0.00 0.00 179.97 181.22 1pqc h GLU 298 N 1.09 1.00 0.05 0.20 3.07 -1.99 -1.41 114.58 116.58 1pqc h GLU 298 Ca 0.29 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.85 1pqc h GLU 298 Cb -0.12 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.56 1pqc h GLU 298 CO -0.06 0.66 -1.04 -0.44 -1.40 0.00 0.00 179.01 176.72 1pqc h ASP 299 N 1.03 0.49 -0.47 1.42 3.32 -1.79 -2.28 116.42 118.14 1pqc h ASP 299 Ca 0.44 -0.43 0.08 0.00 0.02 0.00 0.00 57.03 57.14 1pqc h ASP 299 Cb 0.30 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1pqc h ASP 299 CO -0.21 1.26 0.07 1.56 -1.72 0.00 0.00 179.24 180.20 1pqc h GLN 300 N 0.17 0.20 -0.15 3.56 4.20 -0.70 -1.18 115.11 121.21 1pqc h GLN 300 Ca -0.10 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1pqc h GLN 300 Cb 1.71 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 1pqc h GLN 300 CO 0.18 0.13 0.01 0.82 -0.67 0.00 0.00 178.83 179.30 1pqc h ILE 301 N 0.20 1.24 -0.05 2.54 2.04 -1.24 -1.81 117.51 120.44 1pqc h ILE 301 Ca 0.23 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pqc h ILE 301 Cb 0.31 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1pqc h ILE 301 CO -0.32 0.23 0.03 0.00 0.00 0.00 0.00 178.15 178.08 1pqc h ALA 302 N 0.79 0.06 0.13 1.87 0.00 -1.26 0.92 119.26 121.76 1pqc h ALA 302 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pqc h ALA 302 Cb 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1pqc h ALA 302 CO 0.01 -0.43 -0.31 -0.07 0.00 0.00 0.00 179.25 178.44 1pqc h LEU 303 N 0.04 -0.89 -1.55 0.00 3.38 -1.22 -2.27 115.31 112.80 1pqc h LEU 303 Ca 0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1pqc h LEU 303 Cb 0.02 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pqc h LEU 303 CO -0.00 -0.40 -0.10 -0.07 0.09 0.00 0.00 178.44 177.96 1pqc h LEU 304 N -0.54 0.16 -0.30 1.67 3.38 -1.30 -1.01 115.31 117.38 1pqc h LEU 304 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pqc h LEU 304 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1pqc h LEU 304 CO -0.18 0.28 0.16 0.50 0.09 0.00 0.00 178.44 179.29 1pqc h LYS 305 N 0.17 0.41 0.11 1.13 3.64 -0.36 -1.93 116.57 119.75 1pqc h LYS 305 Ca 0.04 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1pqc h LYS 305 Cb 0.28 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1pqc h LYS 305 CO 0.02 0.36 -1.22 0.00 -2.27 0.00 0.00 179.45 176.34 1pqc h ALA 306 N 1.03 0.06 0.00 5.00 0.00 -1.23 -3.28 119.26 120.84 1pqc h ALA 306 Ca 0.10 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1pqc h ALA 306 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pqc h ALA 306 CO -0.02 0.76 -0.31 0.77 0.00 0.00 0.00 179.25 180.45 1pqc h SER 307 N 0.23 0.00 -0.38 0.00 0.02 -1.16 -3.38 113.55 108.88 1pqc h SER 307 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1pqc h SER 307 Cb 1.90 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 1pqc h SER 307 CO 0.23 0.31 0.24 0.74 -1.14 0.00 0.00 176.83 177.21 1pqc h THR 308 N 0.00 1.12 -0.24 -2.27 2.02 -1.40 0.12 112.91 112.26 1pqc h THR 308 Ca -0.00 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1pqc h THR 308 Cb 0.65 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1pqc h THR 308 CO 0.04 0.11 -0.24 -0.29 0.37 0.00 0.00 175.52 175.51 1pqc h ILE 309 N 0.51 1.26 -0.31 3.11 6.09 -1.81 -1.86 117.51 124.50 1pqc h ILE 309 Ca 0.14 -1.23 -0.13 0.00 -1.37 0.00 0.00 64.86 62.27 1pqc h ILE 309 Cb -0.02 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.61 1pqc h ILE 309 CO -0.03 0.39 -0.30 -0.33 -3.07 0.00 0.00 178.15 174.81 1pqc h GLU 310 N 0.40 0.76 -0.16 2.19 5.08 -1.44 -1.57 114.58 119.84 1pqc h GLU 310 Ca 0.06 -0.40 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 1pqc h GLU 310 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1pqc h GLU 310 CO 0.05 1.02 -0.41 0.82 -1.00 0.00 0.00 179.01 179.49 1pqc h ILE 311 N 0.52 1.31 -0.32 3.13 2.04 -0.60 -1.65 117.51 121.94 1pqc h ILE 311 Ca 0.05 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.31 1pqc h ILE 311 Cb 0.88 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1pqc h ILE 311 CO 0.08 0.47 -0.03 0.24 0.00 0.00 0.00 178.15 178.91 1pqc h MET 312 N 0.30 0.50 -0.41 2.37 2.86 -1.13 0.08 114.93 119.50 1pqc h MET 312 Ca 0.03 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 1pqc h MET 312 Cb 0.85 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1pqc h MET 312 CO 0.07 0.55 -0.32 -0.07 1.06 0.00 0.00 176.91 178.20 1pqc h LEU 313 N 0.48 0.96 0.15 1.22 3.38 -0.44 0.33 115.31 121.40 1pqc h LEU 313 Ca 0.10 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1pqc h LEU 313 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pqc h LEU 313 CO 0.01 1.19 -0.07 -0.07 0.09 0.00 0.00 178.44 179.60 1pqc h LEU 314 N 0.77 -0.17 -1.02 1.67 4.07 -1.04 -0.45 115.31 119.14 1pqc h LEU 314 Ca 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1pqc h LEU 314 Cb 0.90 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 1pqc h LEU 314 CO 0.08 0.05 0.44 -0.33 -1.08 0.00 0.00 178.44 177.61 1pqc h GLU 315 N -0.39 1.13 0.46 1.13 4.39 -0.90 0.70 114.58 121.10 1pqc h GLU 315 Ca -0.02 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1pqc h GLU 315 Cb 0.31 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1pqc h GLU 315 CO 0.03 0.83 -0.32 1.15 -1.16 0.00 0.00 179.01 179.54 1pqc h THR 316 N 1.14 0.34 -0.20 1.13 2.02 -0.34 -2.51 112.91 114.50 1pqc h THR 316 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 1pqc h THR 316 Cb 0.03 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1pqc h THR 316 CO -0.05 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.72 1pqc h ALA 317 N -0.30 0.04 -0.54 6.16 0.00 -0.74 -0.72 119.26 123.16 1pqc h ALA 317 Ca -0.05 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1pqc h ALA 317 Cb 0.63 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1pqc h ALA 317 CO 0.02 -0.55 0.48 -0.09 0.00 0.00 0.00 179.25 179.11 1pqc h ARG 318 N -0.11 0.00 -0.28 0.00 2.43 -0.77 -0.32 114.38 115.33 1pqc h ARG 318 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1pqc h ARG 318 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1pqc h ARG 318 CO -0.27 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.73 1pqc n ARG 319 N -3.97 2.39 -2.10 0.20 1.74 -0.34 -4.96 116.66 109.64 1pqc n ARG 319 Ca 0.10 -2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 54.68 1pqc n ARG 319 Cb 0.69 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1pqc n ARG 319 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1pqc s TYR 320 N -1.65 2.70 -0.31 -1.55 5.04 -0.13 -2.34 117.35 119.11 1pqc s TYR 320 Ca 0.36 0.62 -0.10 0.00 -2.44 0.00 0.00 57.07 55.51 1pqc s TYR 320 Cb 0.22 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 1pqc s TYR 320 CO 0.31 -3.03 0.16 1.21 -1.34 0.00 0.00 175.55 172.86 1pqc s ASN 321 N 2.04 5.59 0.29 4.32 2.47 -0.06 -4.97 114.94 124.61 1pqc s ASN 321 Ca 0.68 -0.52 0.24 0.00 0.42 0.00 0.00 52.86 53.67 1pqc s ASN 321 Cb -0.35 -2.01 0.33 0.00 -1.45 0.00 0.00 41.25 37.76 1pqc s ASN 321 CO 0.29 -0.20 1.44 -0.74 -3.72 0.00 0.00 177.10 174.17 1pqc h HIS 322 N 8.36 0.00 -0.48 0.43 -0.00 -1.94 0.86 115.15 122.38 1pqc h HIS 322 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1pqc h HIS 322 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.53 1pqc h HIS 322 CO 0.64 0.00 0.31 1.49 -0.00 0.00 0.00 177.93 180.38 1pqc h GLU 323 N 0.00 0.63 -0.00 5.26 4.81 -1.96 -3.26 114.58 120.06 1pqc h GLU 323 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pqc h GLU 323 Cb 0.92 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1pqc h GLU 323 CO 0.00 0.42 -0.28 0.25 -0.73 0.00 0.00 179.01 178.67 1pqc n THR 324 N -4.46 0.00 -3.68 0.32 -2.24 -1.20 -5.02 114.28 98.01 1pqc n THR 324 Ca 0.04 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 1pqc n THR 324 Cb 0.06 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1pqc n THR 324 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pqc n GLU 325 N -1.02 -5.06 -4.12 -0.78 1.02 0.25 -4.94 120.64 106.00 1pqc n GLU 325 Ca 0.02 0.64 -0.15 0.00 -0.02 0.00 0.00 57.16 57.65 1pqc n GLU 325 Cb 0.11 -5.24 -0.14 0.00 -0.02 0.00 0.00 31.44 26.15 1pqc n GLU 325 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pqc s ILE 327 N -0.28 4.94 -0.83 0.00 1.01 0.18 -0.89 121.20 125.34 1pqc s ILE 327 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1pqc s ILE 327 Cb -0.03 -4.20 0.23 0.00 0.01 0.00 0.00 42.46 38.48 1pqc s ILE 327 CO -0.00 0.19 0.83 0.41 0.00 0.00 0.00 174.94 176.37 1pqc n THR 328 N 3.90 2.98 -0.30 2.92 -1.04 -0.99 -0.90 114.28 120.85 1pqc n THR 328 Ca 0.03 -5.22 0.11 0.00 -2.04 0.00 0.00 64.05 56.93 1pqc n THR 328 Cb 0.51 -2.24 0.27 0.00 -1.82 0.00 0.00 70.33 67.05 1pqc n THR 328 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1pqc h PHE 329 N 5.37 0.72 -4.04 -1.42 3.57 -1.82 -3.45 116.94 115.88 1pqc h PHE 329 Ca 0.18 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 1pqc h PHE 329 Cb 0.74 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.17 1pqc h PHE 329 CO 0.75 0.07 -0.37 -0.51 -2.23 0.00 0.00 178.31 176.02 1pqc s LEU 330 N -10.42 0.91 0.12 0.59 1.43 -1.12 -5.02 118.68 105.17 1pqc s LEU 330 Ca -0.12 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 51.71 1pqc s LEU 330 Cb 0.24 1.07 -0.06 0.00 0.03 0.00 0.00 46.19 47.47 1pqc s LEU 330 CO 0.78 -0.93 1.40 0.11 0.23 0.00 0.00 176.35 177.94 1pqc h LYS 331 N 2.51 -0.04 -0.05 1.70 1.57 -2.02 -0.56 116.57 119.68 1pqc h LYS 331 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1pqc h LYS 331 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pqc h LYS 331 CO 0.47 -0.03 0.00 -0.25 -0.57 0.00 0.00 179.45 179.07 1pqc n ASP 332 N -4.69 1.59 -4.15 0.86 8.00 -1.26 -4.72 116.55 112.18 1pqc n ASP 332 Ca 0.01 -1.55 -0.38 0.00 0.71 0.00 0.00 54.79 53.57 1pqc n ASP 332 Cb 0.20 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.19 1pqc n ASP 332 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pqc s PHE 333 N -1.96 3.49 0.19 1.24 0.40 -0.22 -5.06 117.98 116.07 1pqc s PHE 333 Ca 0.37 -2.36 0.10 0.00 -0.60 0.00 0.00 56.93 54.44 1pqc s PHE 333 Cb 0.20 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 1pqc s PHE 333 CO 0.32 -0.93 -0.22 0.95 0.70 0.00 0.00 175.22 176.05 1pqc s THR 334 N 0.61 2.17 -0.13 0.64 -4.23 -1.26 -2.77 115.64 110.66 1pqc s THR 334 Ca 0.12 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1pqc s THR 334 Cb -0.21 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.65 1pqc s THR 334 CO -0.03 -0.21 0.16 -0.31 -0.54 0.00 0.00 174.62 173.68 1pqc s TYR 335 N -1.88 -0.12 0.98 3.99 1.51 -0.07 -4.94 117.35 116.80 1pqc s TYR 335 Ca 0.20 0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 56.41 1pqc s TYR 335 Cb -0.07 -0.39 0.18 0.00 -0.11 0.00 0.00 41.96 41.58 1pqc s TYR 335 CO 0.09 -0.41 1.20 -1.54 -1.11 0.00 0.00 175.55 173.78 1pqc s SER 336 N 2.27 2.92 0.19 2.29 1.04 -1.26 -0.65 113.70 120.50 1pqc s SER 336 Ca 0.04 0.65 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1pqc s SER 336 Cb -0.14 -0.97 0.12 0.00 0.10 0.00 0.00 66.02 65.13 1pqc s SER 336 CO -0.08 -2.89 1.75 0.11 0.98 0.00 0.00 173.24 173.11 1pqc h LYS 337 N -1.74 1.06 -0.99 4.02 1.57 -1.97 -1.54 116.57 116.98 1pqc h LYS 337 Ca -0.47 -0.20 0.12 0.00 -1.87 0.00 0.00 60.65 58.23 1pqc h LYS 337 Cb 1.29 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.35 1pqc h LYS 337 CO 0.49 0.88 0.62 -0.44 -0.57 0.00 0.00 179.45 180.43 1pqc h ASP 338 N 1.01 0.91 -0.67 0.86 3.32 -1.95 -0.39 116.42 119.50 1pqc h ASP 338 Ca 0.23 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1pqc h ASP 338 Cb 0.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1pqc h ASP 338 CO -0.02 0.48 0.36 0.44 -1.72 0.00 0.00 179.24 178.78 1pqc h ASP 339 N 0.98 0.84 -0.44 6.45 3.32 -1.65 -0.48 116.42 125.44 1pqc h ASP 339 Ca 0.49 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 1pqc h ASP 339 Cb 0.49 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1pqc h ASP 339 CO -0.27 0.70 0.10 -0.26 -1.72 0.00 0.00 179.24 177.80 1pqc h PHE 340 N 0.91 0.74 -0.89 4.55 -1.00 -0.99 -2.37 116.94 117.91 1pqc h PHE 340 Ca 0.23 -0.09 0.08 0.00 2.81 0.00 0.00 57.97 61.00 1pqc h PHE 340 Cb 0.06 -0.21 -0.07 0.00 3.61 0.00 0.00 35.95 39.34 1pqc h PHE 340 CO -0.00 0.69 0.54 1.25 -1.61 0.00 0.00 178.31 179.18 1pqc h HIS 341 N 0.58 1.00 0.00 -0.55 -0.00 -0.15 -1.91 115.15 114.12 1pqc h HIS 341 Ca 0.14 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1pqc h HIS 341 Cb 0.32 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1pqc h HIS 341 CO 0.02 0.47 -0.16 0.00 -0.00 0.00 0.00 177.93 178.26 1pqc h ARG 342 N 0.95 0.00 0.00 5.26 3.08 -0.93 -1.36 114.38 121.38 1pqc h ARG 342 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1pqc h ARG 342 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1pqc h ARG 342 CO -0.21 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 1pqc n ALA 343 N -2.18 2.28 -0.84 0.04 0.00 -0.74 -4.56 120.51 114.51 1pqc n ALA 343 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1pqc n ALA 343 Cb 0.42 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1pqc n ALA 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqc n GLY 344 N 0.31 0.55 3.81 0.00 0.00 -0.51 -4.22 105.19 105.12 1pqc n GLY 344 Ca 0.06 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1pqc n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pqc s LEU 345 N 0.00 4.29 0.57 0.99 1.43 -1.11 -4.98 118.68 119.88 1pqc s LEU 345 Ca 0.00 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 1pqc s LEU 345 Cb 0.00 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1pqc s LEU 345 CO 0.00 -0.03 1.16 -1.10 0.23 0.00 0.00 176.35 176.60 1pqc s GLN 346 N -2.16 3.17 0.38 1.70 -0.21 -1.26 -4.43 119.66 116.85 1pqc s GLN 346 Ca 0.47 1.68 0.10 0.00 0.02 0.00 0.00 55.36 57.62 1pqc s GLN 346 Cb -0.16 -1.97 0.76 0.00 1.00 0.00 0.00 33.01 32.64 1pqc s GLN 346 CO 0.21 -1.01 1.89 -0.24 -2.12 0.00 0.00 175.29 174.02 1pqc h VAL 347 N 1.01 1.19 0.00 1.09 3.04 -1.98 -1.75 116.25 118.85 1pqc h VAL 347 Ca -0.50 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1pqc h VAL 347 Cb 1.27 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1pqc h VAL 347 CO 0.56 0.27 0.00 -0.33 -1.01 0.00 0.00 177.57 177.06 1pqc h GLU 348 N 0.20 0.00 0.00 4.17 3.07 -2.00 -1.15 114.58 118.87 1pqc h GLU 348 Ca 0.04 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.47 1pqc h GLU 348 Cb 0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.27 1pqc h GLU 348 CO 0.03 0.00 -2.47 0.34 -1.40 0.00 0.00 179.01 175.51 1pqc n PHE 349 N -2.58 0.00 -0.15 4.33 7.35 -1.06 -4.53 117.46 120.81 1pqc n PHE 349 Ca -0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.64 1pqc n PHE 349 Cb 0.16 -0.95 0.05 0.00 0.35 0.00 0.00 39.48 39.09 1pqc n PHE 349 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1pqc h ILE 350 N -0.80 0.92 0.05 -2.13 2.04 -1.06 -2.77 117.51 113.76 1pqc h ILE 350 Ca -0.65 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1pqc h ILE 350 Cb 1.63 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1pqc h ILE 350 CO -0.36 0.08 -0.02 0.78 0.00 0.00 0.00 178.15 178.63 1pqc h ASN 351 N 0.42 -0.06 -0.21 1.72 2.35 -1.48 -2.10 115.58 116.22 1pqc h ASN 351 Ca 0.22 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1pqc h ASN 351 Cb 0.16 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1pqc h ASN 351 CO -0.18 0.29 0.19 -0.65 -1.65 0.00 0.00 177.43 175.43 1pqc h PRO 352 N -0.41 0.00 -0.09 0.81 0.11 -1.77 0.19 132.00 130.85 1pqc h PRO 352 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 1pqc h PRO 352 Cb 0.37 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1pqc h PRO 352 CO 0.01 0.00 -0.61 0.82 -0.21 0.00 0.00 178.00 178.01 1pqc h ILE 353 N 0.00 1.35 -0.05 4.15 2.04 -1.28 -1.75 117.51 121.98 1pqc h ILE 353 Ca 0.10 -1.93 -0.13 0.00 1.00 0.00 0.00 64.86 63.90 1pqc h ILE 353 Cb 0.47 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1pqc h ILE 353 CO -0.00 0.58 -0.56 -0.26 0.00 0.00 0.00 178.15 177.91 1pqc h PHE 354 N 0.18 0.19 0.34 1.37 -1.00 -0.65 -1.76 116.94 115.61 1pqc h PHE 354 Ca -0.05 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1pqc h PHE 354 Cb 1.27 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1pqc h PHE 354 CO 0.11 0.68 -0.17 0.93 -1.61 0.00 0.00 178.31 178.26 1pqc h GLU 355 N 0.11 -0.44 -0.97 1.51 5.08 -0.54 -1.77 114.58 117.55 1pqc h GLU 355 Ca -0.00 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.63 1pqc h GLU 355 Cb 1.03 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 1pqc h GLU 355 CO 0.08 -0.15 0.54 0.35 -1.00 0.00 0.00 179.01 178.83 1pqc h PHE 356 N -0.75 0.91 -0.11 4.33 3.57 -1.37 -0.71 116.94 122.81 1pqc h PHE 356 Ca -0.05 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1pqc h PHE 356 Cb 0.50 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1pqc h PHE 356 CO 0.01 0.01 -0.01 0.77 -2.23 0.00 0.00 178.31 176.86 1pqc h SER 357 N 0.51 0.21 -0.69 0.41 0.02 -0.91 0.11 113.55 113.21 1pqc h SER 357 Ca 0.63 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1pqc h SER 357 Cb 1.22 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1pqc h SER 357 CO -0.50 0.50 0.45 0.03 -1.14 0.00 0.00 176.83 176.17 1pqc h ARG 358 N -0.08 0.66 0.00 3.45 3.08 -0.69 -1.99 114.38 118.82 1pqc h ARG 358 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1pqc h ARG 358 Cb 0.40 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1pqc h ARG 358 CO 0.01 0.44 -0.03 0.00 -1.07 0.00 0.00 179.97 179.32 1pqc h ALA 359 N 1.63 0.00 -0.90 0.04 0.00 -0.86 -3.07 119.26 116.10 1pqc h ALA 359 Ca 0.30 -0.44 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1pqc h ALA 359 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1pqc h ALA 359 CO -0.10 -0.04 0.46 0.52 0.00 0.00 0.00 179.25 180.09 1pqc h MET 360 N -0.84 0.55 -0.81 0.00 2.86 -0.75 -2.06 114.93 113.87 1pqc h MET 360 Ca -0.00 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1pqc h MET 360 Cb 0.90 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.37 1pqc h MET 360 CO 0.01 0.36 0.48 -0.09 1.06 0.00 0.00 176.91 178.73 1pqc h ARG 361 N 0.56 0.84 -0.95 1.72 2.43 -1.32 -1.27 114.38 116.39 1pqc h ARG 361 Ca 0.53 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.76 1pqc h ARG 361 Cb 0.89 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1pqc h ARG 361 CO -0.43 0.56 0.58 -0.09 -1.51 0.00 0.00 179.97 179.07 1pqc h ARG 362 N 0.86 0.91 -0.48 0.20 2.43 -1.29 -1.26 114.38 115.76 1pqc h ARG 362 Ca 0.36 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1pqc h ARG 362 Cb 0.22 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1pqc h ARG 362 CO -0.19 0.60 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.74 1pqc h LEU 363 N 0.94 0.81 -2.28 3.80 3.38 -0.89 -3.48 115.31 117.59 1pqc h LEU 363 Ca 0.47 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1pqc h LEU 363 Cb 0.45 -0.22 0.17 0.00 0.09 0.00 0.00 40.66 41.15 1pqc h LEU 363 CO -0.26 0.91 -0.75 0.61 0.09 0.00 0.00 178.44 179.04 1pqc n GLY 364 N -0.51 -0.77 3.77 0.83 0.00 -0.48 -4.97 105.19 103.06 1pqc n GLY 364 Ca 0.02 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 1pqc n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pqc s LEU 365 N -5.36 4.38 0.69 0.99 1.43 -1.26 -5.06 118.68 114.49 1pqc s LEU 365 Ca 0.30 2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 55.69 1pqc s LEU 365 Cb -0.04 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.45 1pqc s LEU 365 CO 0.66 -0.41 0.97 1.51 0.23 0.00 0.00 176.35 179.32 1pqc s ASP 366 N -0.97 4.70 0.34 2.29 1.47 -1.26 -4.90 116.67 118.35 1pqc s ASP 366 Ca 0.50 0.14 0.15 0.00 1.18 0.00 0.00 52.55 54.53 1pqc s ASP 366 Cb -0.32 -0.75 1.08 0.00 -0.34 0.00 0.00 42.92 42.59 1pqc s ASP 366 CO 0.41 -1.62 1.67 0.44 0.68 0.00 0.00 175.17 176.75 1pqc h ASP 367 N -0.49 0.52 -0.36 2.11 3.32 -2.00 -1.65 116.42 117.88 1pqc h ASP 367 Ca -0.42 0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1pqc h ASP 367 Cb 1.29 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1pqc h ASP 367 CO 0.52 -0.10 -0.08 0.00 -1.72 0.00 0.00 179.24 177.86 1pqc h ALA 368 N 1.82 0.50 -0.28 3.45 0.00 -1.94 -2.57 119.26 120.23 1pqc h ALA 368 Ca 0.72 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 1pqc h ALA 368 Cb 1.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1pqc h ALA 368 CO -0.57 0.34 -0.51 0.93 0.00 0.00 0.00 179.25 179.44 1pqc h GLU 369 N 0.49 0.79 -0.35 0.00 5.08 -1.70 -2.30 114.58 116.58 1pqc h GLU 369 Ca 0.09 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1pqc h GLU 369 Cb 0.58 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1pqc h GLU 369 CO 0.03 1.11 0.09 1.88 -1.00 0.00 0.00 179.01 181.12 1pqc h TYR 370 N 0.62 0.59 -0.27 4.33 -1.99 -1.39 -1.26 116.97 117.60 1pqc h TYR 370 Ca 0.02 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.55 1pqc h TYR 370 Cb 1.09 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1pqc h TYR 370 CO 0.06 0.59 -0.38 0.00 -0.00 0.00 0.00 178.16 178.44 1pqc h ALA 371 N 0.93 0.83 -0.57 3.88 0.00 -1.42 -0.63 119.26 122.28 1pqc h ALA 371 Ca 0.11 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1pqc h ALA 371 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pqc h ALA 371 CO 0.00 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.86 1pqc h LEU 372 N 0.52 0.96 -0.83 0.00 3.38 -1.37 -1.66 115.31 116.31 1pqc h LEU 372 Ca 0.05 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1pqc h LEU 372 Cb 0.89 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1pqc h LEU 372 CO 0.08 1.01 -0.10 0.25 0.09 0.00 0.00 178.44 179.78 1pqc h LEU 373 N 0.88 0.76 -0.56 1.67 6.46 -0.76 0.01 115.31 123.76 1pqc h LEU 373 Ca 0.17 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1pqc h LEU 373 Cb 0.50 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1pqc h LEU 373 CO 0.02 0.88 0.14 0.40 -0.62 0.00 0.00 178.44 179.26 1pqc h ILE 374 N 0.70 1.25 -0.39 4.05 2.04 -1.03 0.25 117.51 124.39 1pqc h ILE 374 Ca 0.12 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 1pqc h ILE 374 Cb 0.57 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1pqc h ILE 374 CO 0.04 0.33 -0.11 0.00 0.00 0.00 0.00 178.15 178.40 1pqc h ALA 375 N 1.02 0.54 -0.57 1.87 0.00 -1.09 -0.08 119.26 120.95 1pqc h ALA 375 Ca 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1pqc h ALA 375 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pqc h ALA 375 CO 0.00 0.42 0.37 0.82 0.00 0.00 0.00 179.25 180.86 1pqc h ILE 376 N 0.57 1.13 -0.08 0.00 2.04 -0.87 -2.81 117.51 117.49 1pqc h ILE 376 Ca 0.10 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1pqc h ILE 376 Cb 0.63 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1pqc h ILE 376 CO 0.04 0.14 0.05 -1.13 0.00 0.00 0.00 178.15 177.25 1pqc h ASN 377 N 0.75 0.09 -0.60 1.72 -0.73 -0.44 -2.69 115.58 113.68 1pqc h ASN 377 Ca 0.21 -0.00 0.12 0.00 1.87 0.00 0.00 56.30 58.50 1pqc h ASN 377 Cb -0.06 -0.02 -0.11 0.00 0.27 0.00 0.00 38.32 38.39 1pqc h ASN 377 CO -0.06 0.06 -0.15 0.40 -0.37 0.00 0.00 177.43 177.32 1pqc h ILE 378 N 0.10 0.40 -0.88 2.57 2.04 -0.92 -3.13 117.51 117.69 1pqc h ILE 378 Ca 0.03 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.42 1pqc h ILE 378 Cb -0.01 0.40 -0.15 0.00 -0.74 0.00 0.00 36.82 36.32 1pqc h ILE 378 CO -0.01 0.00 0.50 0.49 0.00 0.00 0.00 178.15 179.14 1pqc n PHE 379 N -5.41 1.43 -3.45 1.37 0.99 -1.02 -4.81 117.46 106.56 1pqc n PHE 379 Ca 0.07 -1.97 -0.43 0.00 -0.00 0.00 0.00 57.45 55.12 1pqc n PHE 379 Cb 0.31 -1.48 -0.10 0.00 -1.00 0.00 0.00 39.48 37.22 1pqc n PHE 379 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1pqc s SER 380 N 0.66 6.09 0.51 4.37 0.01 -1.19 -4.46 113.70 119.69 1pqc s SER 380 Ca 0.60 -1.00 0.34 0.00 1.31 0.00 0.00 55.95 57.20 1pqc s SER 380 Cb 0.35 -2.16 1.73 0.00 0.21 0.00 0.00 66.02 66.16 1pqc s SER 380 CO -0.17 -0.49 2.03 0.00 0.41 0.00 0.00 173.24 175.03 1pqc h ALA 381 N 8.64 1.00 -0.36 1.44 0.00 -1.87 -2.98 119.26 125.13 1pqc h ALA 381 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pqc h ALA 381 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pqc h ALA 381 CO 0.76 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1pqc n ASP 382 N -2.76 3.52 -4.79 0.00 5.75 -1.26 -4.67 116.55 112.34 1pqc n ASP 382 Ca -0.01 -2.44 -0.32 0.00 -0.01 0.00 0.00 54.79 52.01 1pqc n ASP 382 Cb 0.12 -0.55 0.06 0.00 -1.03 0.00 0.00 41.12 39.73 1pqc n ASP 382 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pqc s ARG 383 N -1.92 2.69 0.19 0.11 1.81 -1.13 -4.98 118.95 115.73 1pqc s ARG 383 Ca 0.32 1.18 -0.33 0.00 -1.72 0.00 0.00 55.73 55.18 1pqc s ARG 383 Cb 0.23 -1.95 -0.13 0.00 -0.45 0.00 0.00 34.95 32.65 1pqc s ARG 383 CO 0.12 -1.31 1.64 -2.30 -0.68 0.00 0.00 175.30 172.76 1pqc n PRO 384 N -2.95 2.45 -1.44 3.54 -0.02 -1.26 -3.47 135.00 131.86 1pqc n PRO 384 Ca 0.09 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.34 1pqc n PRO 384 Cb 0.53 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1pqc n PRO 384 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pqc n ASN 385 N 3.53 -4.35 -4.75 2.55 3.02 -1.26 -4.84 115.26 109.16 1pqc n ASN 385 Ca 0.16 0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 54.56 1pqc n ASN 385 Cb 0.32 -2.96 -0.04 0.00 -0.61 0.00 0.00 39.78 36.49 1pqc n ASN 385 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pqc s VAL 386 N -2.45 3.77 -0.70 2.41 1.01 -1.23 -4.85 120.40 118.36 1pqc s VAL 386 Ca 0.00 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.73 1pqc s VAL 386 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1pqc s VAL 386 CO 0.00 0.34 0.52 0.00 0.00 0.00 0.00 175.10 175.97 1pqc n GLN 387 N 1.79 2.85 -3.14 2.72 6.02 -1.26 -4.60 117.38 121.76 1pqc n GLN 387 Ca 0.00 -0.36 -0.19 0.00 -0.01 0.00 0.00 57.00 56.45 1pqc n GLN 387 Cb 0.46 -1.01 -0.03 0.00 1.02 0.00 0.00 30.24 30.68 1pqc n GLN 387 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pqc n GLU 388 N -0.62 0.90 -0.23 -1.09 1.02 -1.26 -5.00 120.64 114.36 1pqc n GLU 388 Ca 0.03 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 1pqc n GLU 388 Cb 0.18 -1.52 0.12 0.00 -0.02 0.00 0.00 31.44 30.20 1pqc n GLU 388 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1pqc h PRO 389 N 3.29 0.58 -0.64 3.49 0.13 -1.83 -1.23 132.00 135.79 1pqc h PRO 389 Ca 0.07 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.29 1pqc h PRO 389 Cb 0.96 -0.13 -0.12 0.00 0.13 0.00 0.00 31.00 31.84 1pqc h PRO 389 CO 0.46 0.38 -0.20 0.78 -0.23 0.00 0.00 178.00 179.19 1pqc h GLY 390 N 0.60 0.35 0.86 1.56 0.00 -1.94 -1.08 103.07 103.41 1pqc h GLY 390 Ca 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1pqc h GLY 390 CO -0.25 -0.24 0.05 3.21 0.00 0.00 0.00 176.54 179.31 1pqc h ARG 391 N -0.04 0.19 -0.66 4.80 3.08 -1.68 -2.78 114.38 117.30 1pqc h ARG 391 Ca 0.30 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.45 1pqc h ARG 391 Cb 0.50 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.40 1pqc h ARG 391 CO -0.68 0.31 -0.06 0.28 -1.07 0.00 0.00 179.97 178.76 1pqc h VAL 392 N 0.04 0.41 -1.00 2.04 2.07 -0.73 -1.79 116.25 117.28 1pqc h VAL 392 Ca 0.04 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1pqc h VAL 392 Cb 0.20 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1pqc h VAL 392 CO -0.00 0.01 0.66 -0.08 0.02 0.00 0.00 177.57 178.18 1pqc h GLU 393 N 0.07 1.29 -0.52 1.57 4.81 -1.04 0.16 114.58 120.92 1pqc h GLU 393 Ca 0.34 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1pqc h GLU 393 Cb 0.55 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1pqc h GLU 393 CO -0.61 0.85 -0.08 0.00 -0.73 0.00 0.00 179.01 178.45 1pqc h ALA 394 N 1.38 0.72 -0.07 2.92 0.00 -1.12 -2.07 119.26 121.01 1pqc h ALA 394 Ca 0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1pqc h ALA 394 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1pqc h ALA 394 CO -0.09 0.60 -0.21 -0.07 0.00 0.00 0.00 179.25 179.48 1pqc h LEU 395 N 0.85 0.12 -0.67 0.00 3.38 -0.73 -2.49 115.31 115.76 1pqc h LEU 395 Ca 0.14 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1pqc h LEU 395 Cb 0.63 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1pqc h LEU 395 CO 0.04 0.34 -0.64 -0.61 0.09 0.00 0.00 178.44 177.66 1pqc h GLN 396 N 0.11 0.11 0.20 1.13 4.15 -0.62 -3.38 115.11 116.82 1pqc h GLN 396 Ca 0.02 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1pqc h GLN 396 Cb 0.44 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 1pqc h GLN 396 CO 0.03 0.71 -0.34 0.37 -1.93 0.00 0.00 178.83 177.67 1pqc h GLN 397 N 0.08 -0.60 -0.03 1.69 4.15 -0.90 -1.84 115.11 117.66 1pqc h GLN 397 Ca -0.01 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1pqc h GLN 397 Cb 1.14 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 1pqc h GLN 397 CO 0.09 -0.40 0.05 -1.35 -1.93 0.00 0.00 178.83 175.29 1pqc h PRO 398 N -0.62 0.00 0.03 -2.39 0.11 -1.75 -1.34 132.00 126.04 1pqc h PRO 398 Ca 0.01 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 1pqc h PRO 398 Cb 0.61 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.74 1pqc h PRO 398 CO -0.15 0.00 -0.87 1.88 -0.21 0.00 0.00 178.00 178.66 1pqc h TYR 399 N 0.00 0.81 -0.43 0.65 -1.99 -1.57 0.11 116.97 114.54 1pqc h TYR 399 Ca 0.01 -0.46 0.04 0.00 2.00 0.00 0.00 58.73 60.32 1pqc h TYR 399 Cb 0.11 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.72 1pqc h TYR 399 CO 0.00 1.30 0.21 0.28 -0.00 0.00 0.00 178.16 179.95 1pqc h VAL 400 N 0.09 0.96 -0.94 -2.88 2.07 -1.04 0.44 116.25 114.94 1pqc h VAL 400 Ca -0.12 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1pqc h VAL 400 Cb 1.56 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1pqc h VAL 400 CO 0.17 0.08 0.62 -0.33 0.02 0.00 0.00 177.57 178.13 1pqc h GLU 401 N 0.43 1.22 -0.09 1.57 5.08 -1.22 0.85 114.58 122.43 1pqc h GLU 401 Ca 0.19 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1pqc h GLU 401 Cb 0.10 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1pqc h GLU 401 CO -0.14 0.81 -0.06 0.00 -1.00 0.00 0.00 179.01 178.62 1pqc h ALA 402 N 1.42 0.12 -0.36 3.43 0.00 -0.41 -2.61 119.26 120.85 1pqc h ALA 402 Ca 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pqc h ALA 402 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pqc h ALA 402 CO -0.09 -0.09 0.14 1.25 0.00 0.00 0.00 179.25 180.46 1pqc h LEU 403 N -0.20 0.51 -0.12 0.00 5.85 -0.48 0.13 115.31 121.00 1pqc h LEU 403 Ca 0.02 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1pqc h LEU 403 Cb 0.53 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1pqc h LEU 403 CO 0.02 0.55 -0.26 0.25 -0.34 0.00 0.00 178.44 178.65 1pqc h LEU 404 N 0.44 -0.80 -0.54 2.25 5.85 -0.92 -2.06 115.31 119.53 1pqc h LEU 404 Ca 0.12 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1pqc h LEU 404 Cb 0.20 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1pqc h LEU 404 CO -0.01 -0.31 0.26 0.28 -0.34 0.00 0.00 178.44 178.32 1pqc h SER 405 N -0.33 0.36 -0.23 1.25 0.02 -1.05 -2.54 113.55 111.03 1pqc h SER 405 Ca 0.10 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1pqc h SER 405 Cb 0.48 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1pqc h SER 405 CO -0.31 0.24 -0.11 0.22 -1.14 0.00 0.00 176.83 175.74 1pqc h TYR 406 N 0.50 0.54 -0.69 3.45 3.20 -0.72 -2.91 116.97 120.34 1pqc h TYR 406 Ca 0.24 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1pqc h TYR 406 Cb 0.17 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1pqc h TYR 406 CO -0.11 0.75 0.19 1.79 -1.64 0.00 0.00 178.16 179.13 1pqc h THR 407 N 0.19 1.26 0.00 1.81 1.35 -1.34 0.34 112.91 116.51 1pqc h THR 407 Ca 0.05 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1pqc h THR 407 Cb 0.60 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1pqc h THR 407 CO 0.03 0.36 0.00 0.03 -0.25 0.00 0.00 175.52 175.69 1pqc h ARG 408 N 1.04 0.00 0.00 4.72 3.08 -1.35 -2.81 114.38 119.06 1pqc h ARG 408 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1pqc h ARG 408 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1pqc h ARG 408 CO -0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 178.01 1pqc n ILE 409 N -2.49 0.00 0.00 2.04 -0.00 -0.57 -3.94 119.36 114.39 1pqc n ILE 409 Ca -0.01 0.28 0.00 0.00 -0.00 0.00 0.00 62.75 63.02 1pqc n ILE 409 Cb 0.12 -1.22 0.00 0.00 -0.00 0.00 0.00 39.64 38.54 1pqc n ILE 409 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1pqc n LYS 410 N -1.97 0.00 -4.03 0.38 4.81 0.11 -2.58 118.16 114.88 1pqc n LYS 410 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1pqc n LYS 410 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1pqc n LYS 410 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1pqc s ARG 411 N -1.78 1.78 0.22 1.64 0.52 -1.06 -4.98 118.95 115.29 1pqc s ARG 411 Ca 0.00 -1.57 0.26 0.00 -0.52 0.00 0.00 55.73 53.89 1pqc s ARG 411 Cb 0.00 -3.00 0.84 0.00 0.52 0.00 0.00 34.95 33.31 1pqc s ARG 411 CO 0.00 -0.76 1.76 -2.30 0.02 0.00 0.00 175.30 174.02 1pqc n PRO 412 N 4.37 0.26 0.00 3.54 -0.02 -1.07 -3.63 135.00 138.45 1pqc n PRO 412 Ca -0.05 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1pqc n PRO 412 Cb 0.42 -1.83 0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1pqc n PRO 412 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1pqc n GLN 413 N -2.28 0.88 -3.03 -0.52 6.02 -1.26 -4.34 117.38 112.85 1pqc n GLN 413 Ca 0.05 -0.67 -0.43 0.00 -0.01 0.00 0.00 57.00 55.94 1pqc n GLN 413 Cb 0.39 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.18 1pqc n GLN 413 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1pqc n ASP 414 N -0.47 6.34 -0.35 1.08 2.03 -1.24 -4.85 116.55 119.09 1pqc n ASP 414 Ca 0.09 -3.39 0.25 0.00 0.52 0.00 0.00 54.79 52.26 1pqc n ASP 414 Cb 0.41 -1.27 0.52 0.00 -0.72 0.00 0.00 41.12 40.06 1pqc n ASP 414 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1pqc h GLN 415 N 5.50 0.33 -0.47 -0.67 3.07 -1.83 -2.27 115.11 118.78 1pqc h GLN 415 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1pqc h GLN 415 Cb 0.63 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1pqc h GLN 415 CO 1.31 0.22 0.00 1.28 0.09 0.00 0.00 178.83 181.73 1pqc n LEU 416 N -4.71 0.80 -0.06 0.06 4.77 -1.26 -4.17 117.00 112.44 1pqc n LEU 416 Ca 0.28 -0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 1pqc n LEU 416 Cb 0.98 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 1pqc n LEU 416 CO 0.22 0.17 0.19 -0.09 -1.33 0.00 0.00 177.39 176.55 1pqc h ARG 417 N 0.34 0.00 -0.00 3.23 2.43 -1.80 -2.22 114.38 116.36 1pqc h ARG 417 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1pqc h ARG 417 Cb 0.33 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1pqc h ARG 417 CO 0.02 0.53 -0.39 0.35 -1.51 0.00 0.00 179.97 178.97 1pqc h PHE 418 N -1.00 -1.15 -0.93 2.20 3.57 -1.81 -0.77 116.94 117.06 1pqc h PHE 418 Ca -0.00 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1pqc h PHE 418 Cb 0.54 0.50 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 1pqc h PHE 418 CO 0.14 -0.42 0.60 -1.00 -2.23 0.00 0.00 178.31 175.41 1pqc h PRO 419 N -0.49 0.53 -0.06 6.41 0.13 -1.83 -1.32 132.00 135.38 1pqc h PRO 419 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1pqc h PRO 419 Cb 0.52 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1pqc h PRO 419 CO -0.26 0.35 0.04 0.00 -0.23 0.00 0.00 178.00 177.90 1pqc h ARG 420 N 0.55 0.08 -0.91 0.86 3.08 -0.69 -2.02 114.38 115.33 1pqc h ARG 420 Ca 0.49 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.57 1pqc h ARG 420 Cb 1.02 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 1pqc h ARG 420 CO -0.23 0.08 0.59 0.52 -1.07 0.00 0.00 179.97 179.86 1pqc h MET 421 N 0.05 1.10 -0.24 0.04 2.86 -0.08 -2.75 114.93 115.91 1pqc h MET 421 Ca 0.02 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1pqc h MET 421 Cb 0.02 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1pqc h MET 421 CO -0.00 0.73 -0.27 -0.07 1.06 0.00 0.00 176.91 178.36 1pqc h LEU 422 N 1.13 0.47 -1.80 1.22 3.38 -1.22 -2.52 115.31 115.98 1pqc h LEU 422 Ca 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1pqc h LEU 422 Cb 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pqc h LEU 422 CO -0.12 0.73 -0.15 0.24 0.09 0.00 0.00 178.44 179.23 1pqc h MET 423 N 0.41 0.00 -0.36 1.13 2.86 -1.07 -0.63 114.93 117.28 1pqc h MET 423 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1pqc h MET 423 Cb 0.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1pqc h MET 423 CO 0.05 0.15 0.12 0.87 1.06 0.00 0.00 176.91 179.16 1pqc h LYS 424 N 0.00 0.50 -1.00 1.72 1.79 -1.27 -1.29 116.57 117.03 1pqc h LYS 424 Ca -0.00 -0.07 0.10 0.00 -2.18 0.00 0.00 60.65 58.50 1pqc h LYS 424 Cb 0.30 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.78 1pqc h LYS 424 CO 0.02 0.44 0.64 -0.07 -1.08 0.00 0.00 179.45 179.40 1pqc h LEU 425 N 0.50 0.96 -0.28 2.94 3.38 -1.17 0.29 115.31 121.93 1pqc h LEU 425 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pqc h LEU 425 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pqc h LEU 425 CO -0.01 0.56 0.18 0.58 0.09 0.00 0.00 178.44 179.84 1pqc h VAL 426 N 1.06 1.08 -0.72 1.22 2.07 -1.22 -2.55 116.25 117.19 1pqc h VAL 426 Ca 0.47 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.80 1pqc h VAL 426 Cb 0.35 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1pqc h VAL 426 CO -0.22 0.08 0.37 0.28 0.02 0.00 0.00 177.57 178.10 1pqc h SER 427 N 0.37 0.92 0.46 0.57 0.02 -0.97 -2.75 113.55 112.17 1pqc h SER 427 Ca 0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1pqc h SER 427 Cb -0.03 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1pqc h SER 427 CO -0.02 0.76 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.30 1pqc h LEU 428 N 1.02 0.00 -0.12 5.07 3.38 -0.62 -0.01 115.31 124.03 1pqc h LEU 428 Ca 0.25 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1pqc h LEU 428 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pqc h LEU 428 CO -0.04 0.06 -0.47 0.03 0.09 0.00 0.00 178.44 178.12 1pqc h ARG 429 N 0.00 0.53 -0.43 1.13 2.47 -1.15 -1.84 114.38 115.09 1pqc h ARG 429 Ca -0.00 -0.41 -0.12 0.00 -1.26 0.00 0.00 59.98 58.19 1pqc h ARG 429 Cb 0.31 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1pqc h ARG 429 CO 0.01 1.03 -0.21 1.15 0.56 0.00 0.00 179.97 182.51 1pqc h THR 430 N 0.15 1.28 -0.28 2.04 2.02 -1.37 -2.91 112.91 113.84 1pqc h THR 430 Ca -0.02 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.75 1pqc h THR 430 Cb 1.10 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1pqc h THR 430 CO 0.10 0.46 -0.02 -0.07 0.37 0.00 0.00 175.52 176.36 1pqc h LEU 431 N 0.72 0.39 -0.48 2.58 3.38 -1.04 -1.48 115.31 119.38 1pqc h LEU 431 Ca 0.09 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1pqc h LEU 431 Cb 0.78 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1pqc h LEU 431 CO 0.06 0.47 0.27 -1.28 0.09 0.00 0.00 178.44 178.06 1pqc h SER 432 N 0.41 0.42 -0.22 -0.43 0.87 -1.18 -0.70 113.55 112.72 1pqc h SER 432 Ca 0.09 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1pqc h SER 432 Cb 0.30 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1pqc h SER 432 CO 0.01 0.30 0.07 0.28 -0.53 0.00 0.00 176.83 176.96 1pqc h SER 433 N 0.54 0.08 -0.35 6.23 0.02 -1.21 -1.80 113.55 117.06 1pqc h SER 433 Ca 0.20 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1pqc h SER 433 Cb 0.06 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1pqc h SER 433 CO -0.11 0.07 0.23 0.58 -1.14 0.00 0.00 176.83 176.46 1pqc h VAL 434 N 0.17 1.08 -0.22 2.27 2.07 -0.77 -1.59 116.25 119.26 1pqc h VAL 434 Ca 0.10 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1pqc h VAL 434 Cb 0.07 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1pqc h VAL 434 CO -0.10 0.08 -0.11 -0.74 0.02 0.00 0.00 177.57 176.73 1pqc h HIS 435 N 0.45 0.53 -0.98 1.57 6.17 -0.77 -2.04 115.15 120.08 1pqc h HIS 435 Ca 0.13 -0.13 0.16 0.00 0.71 0.00 0.00 60.37 61.24 1pqc h HIS 435 Cb -0.03 -0.12 -0.10 0.00 2.52 0.00 0.00 27.41 29.68 1pqc h HIS 435 CO -0.00 0.74 0.59 0.77 0.71 0.00 0.00 177.93 180.74 1pqc h SER 436 N 0.17 0.79 0.17 3.26 0.02 -0.46 -0.28 113.55 117.22 1pqc h SER 436 Ca 0.05 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1pqc h SER 436 Cb 0.60 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1pqc h SER 436 CO 0.03 0.34 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.31 1pqc h GLU 437 N 0.82 0.33 -0.35 3.45 5.08 -1.08 -2.19 114.58 120.64 1pqc h GLU 437 Ca 0.53 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.62 1pqc h GLU 437 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1pqc h GLU 437 CO -0.34 0.70 -0.23 0.37 -1.00 0.00 0.00 179.01 178.51 1pqc h GLN 438 N 0.27 0.69 -0.16 2.33 5.75 -0.55 -0.89 115.11 122.54 1pqc h GLN 438 Ca 0.02 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1pqc h GLN 438 Cb 0.86 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 1pqc h GLN 438 CO 0.07 0.86 -0.04 0.28 -2.65 0.00 0.00 178.83 177.35 1pqc h VAL 439 N 0.61 1.29 -0.60 2.39 2.07 -0.84 -1.81 116.25 119.36 1pqc h VAL 439 Ca 0.09 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1pqc h VAL 439 Cb 0.71 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1pqc h VAL 439 CO 0.05 0.30 0.34 0.15 0.02 0.00 0.00 177.57 178.43 1pqc h PHE 440 N 0.01 0.81 -0.98 1.57 3.57 -1.40 -2.17 116.94 118.36 1pqc h PHE 440 Ca 0.04 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1pqc h PHE 440 Cb 0.48 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1pqc h PHE 440 CO 0.05 0.57 0.62 0.00 -2.23 0.00 0.00 178.31 177.32 1pqc h ALA 441 N 1.16 1.58 0.00 2.41 0.00 -0.98 -2.33 119.26 121.11 1pqc h ALA 441 Ca 0.21 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1pqc h ALA 441 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1pqc h ALA 441 CO -0.04 0.18 -0.63 -0.07 0.00 0.00 0.00 179.25 178.69 1pqc h LEU 442 N 0.94 0.00 -1.35 0.00 3.38 -0.73 -2.83 115.31 114.72 1pqc h LEU 442 Ca 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 1pqc h LEU 442 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1pqc h LEU 442 CO -0.25 0.63 -0.14 0.03 0.09 0.00 0.00 178.44 178.80 1pqc h ARG 443 N 0.00 0.26 0.00 1.13 3.08 -0.86 -0.72 114.38 117.27 1pqc h ARG 443 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1pqc h ARG 443 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1pqc h ARG 443 CO 0.08 0.41 0.00 1.28 -1.07 0.00 0.00 179.97 180.67 1pqc n LEU 444 N -4.25 0.34 -1.80 3.04 4.77 -1.07 -2.58 117.00 115.44 1pqc n LEU 444 Ca -0.01 0.54 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1pqc n LEU 444 Cb 0.28 -0.45 0.35 0.00 -2.33 0.00 0.00 43.42 41.27 1pqc n LEU 444 CO 0.38 -0.17 0.86 0.00 -1.33 0.00 0.00 177.39 177.13 1pqc n GLN 445 N -1.83 4.28 -2.12 3.23 6.02 -0.75 -4.94 117.38 121.28 1pqc n GLN 445 Ca 0.05 -2.84 -0.10 0.00 -0.01 0.00 0.00 57.00 54.11 1pqc n GLN 445 Cb 0.33 -2.19 -0.02 0.00 1.02 0.00 0.00 30.24 29.39 1pqc n GLN 445 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1pqc n ASP 446 N 0.40 -3.07 -4.24 1.08 9.92 -1.06 -4.96 116.55 114.62 1pqc n ASP 446 Ca 0.28 0.25 -0.41 0.00 -0.53 0.00 0.00 54.79 54.39 1pqc n ASP 446 Cb 1.16 -2.73 -0.08 0.00 -0.64 0.00 0.00 41.12 38.83 1pqc n ASP 446 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pqc s LYS 447 N -4.39 2.56 0.16 -1.24 1.02 -0.35 -5.00 119.74 112.49 1pqc s LYS 447 Ca 0.00 -1.69 0.05 0.00 0.02 0.00 0.00 55.97 54.35 1pqc s LYS 447 Cb 0.00 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1pqc s LYS 447 CO 0.00 -1.15 0.13 0.15 -0.92 0.00 0.00 175.35 173.55 1pqc s LYS 448 N 1.40 2.88 0.59 1.68 1.02 -1.26 -3.33 119.74 122.72 1pqc s LYS 448 Ca 0.05 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 1pqc s LYS 448 Cb -0.26 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1pqc s LYS 448 CO 0.00 0.49 1.04 -0.51 -0.92 0.00 0.00 175.35 175.45 1pqc s LEU 449 N -3.04 3.48 0.57 3.17 1.43 -1.26 -5.04 118.68 117.99 1pqc s LEU 449 Ca 0.31 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 1pqc s LEU 449 Cb -0.10 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.54 1pqc s LEU 449 CO 0.23 -1.05 1.00 -2.16 0.23 0.00 0.00 176.35 174.60 1pqc s PRO 450 N -4.23 3.71 0.33 1.29 0.04 -1.26 -4.69 135.00 130.19 1pqc s PRO 450 Ca 0.61 0.79 0.11 0.00 0.04 0.00 0.00 61.00 62.55 1pqc s PRO 450 Cb -0.14 -2.12 1.02 0.00 0.04 0.00 0.00 34.50 33.30 1pqc s PRO 450 CO 0.38 -0.45 1.60 -1.35 0.04 0.00 0.00 177.00 177.22 1pqc h PRO 451 N 0.14 0.07 -0.06 0.56 0.11 -1.98 -0.26 132.00 130.58 1pqc h PRO 451 Ca -0.45 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1pqc h PRO 451 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1pqc h PRO 451 CO 0.62 0.04 -0.41 1.25 -0.21 0.00 0.00 178.00 179.30 1pqc h LEU 452 N 0.07 0.14 0.00 2.35 5.85 -2.01 -2.28 115.31 119.42 1pqc h LEU 452 Ca 0.71 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 59.25 1pqc h LEU 452 Cb 1.66 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1pqc h LEU 452 CO -0.79 0.54 -1.59 0.18 -0.34 0.00 0.00 178.44 176.44 1pqc n LEU 453 N -4.04 0.54 -0.09 2.25 4.77 -0.40 -4.07 117.00 115.95 1pqc n LEU 453 Ca -0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1pqc n LEU 453 Cb 0.46 0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1pqc n LEU 453 CO 0.41 0.08 0.57 -1.28 -1.33 0.00 0.00 177.39 175.83 1pqc h SER 454 N 0.00 0.90 -0.64 -1.43 0.87 -0.90 -1.86 113.55 110.49 1pqc h SER 454 Ca -0.14 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.10 1pqc h SER 454 Cb 1.40 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1pqc h SER 454 CO 0.02 1.17 0.30 -0.08 -0.53 0.00 0.00 176.83 177.72 1pqc h GLU 455 N 0.70 0.52 -0.17 2.24 4.57 -1.56 -2.11 114.58 118.77 1pqc h GLU 455 Ca 0.06 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1pqc h GLU 455 Cb 0.95 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1pqc h GLU 455 CO 0.09 0.35 -0.41 0.82 -1.18 0.00 0.00 179.01 178.67 1pqc h ILE 456 N 0.54 1.34 0.00 2.32 2.04 -1.68 -3.41 117.51 118.65 1pqc h ILE 456 Ca 0.31 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1pqc h ILE 456 Cb 0.31 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1pqc h ILE 456 CO -0.25 0.51 -1.05 0.79 0.00 0.00 0.00 178.15 178.15 1pqc n TRP 457 N -4.26 0.00 1.78 1.37 8.01 -0.71 -4.92 117.44 118.71 1pqc n TRP 457 Ca -0.06 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.28 1pqc n TRP 457 Cb 0.54 -0.09 0.76 0.00 -2.01 0.00 0.00 31.31 30.51 1pqc n TRP 457 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43