#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcm s GLU 224 N 0.00 4.36 0.08 2.12 0.41 -1.26 -5.02 118.70 119.39 2qcm s GLU 224 Ca 0.00 2.13 0.03 0.00 -0.41 0.00 0.00 54.97 56.71 2qcm s GLU 224 Cb 0.00 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2qcm s GLU 224 CO 0.00 -0.27 0.09 -0.51 -0.49 0.00 0.00 175.26 174.08 2qcm s LEU 225 N -0.44 3.83 0.87 1.80 1.43 -1.26 -5.08 118.68 119.83 2qcm s LEU 225 Ca 0.56 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 2qcm s LEU 225 Cb -0.38 -2.50 0.12 0.00 0.03 0.00 0.00 46.19 43.45 2qcm s LEU 225 CO 0.41 0.17 1.14 -0.94 0.23 0.00 0.00 176.35 177.36 2qcm s SER 226 N -2.43 3.38 0.25 2.29 1.04 -1.26 -4.78 113.70 112.19 2qcm s SER 226 Ca 0.30 2.12 -0.03 0.00 0.48 0.00 0.00 55.95 58.81 2qcm s SER 226 Cb -0.12 -2.56 0.44 0.00 0.10 0.00 0.00 66.02 63.88 2qcm s SER 226 CO 0.22 -2.80 1.80 -0.26 0.98 0.00 0.00 173.24 173.19 2qcm h PHE 227 N -1.59 0.88 -0.98 5.02 0.05 -1.99 0.30 116.94 118.63 2qcm h PHE 227 Ca -0.43 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.40 2qcm h PHE 227 Cb 1.26 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 38.90 2qcm h PHE 227 CO 0.52 0.33 0.65 0.78 -0.18 0.00 0.00 178.31 180.41 2qcm h GLY 228 N 0.79 1.39 1.27 -1.45 0.00 -1.92 -0.99 103.07 102.16 2qcm h GLY 228 Ca 0.42 -0.51 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 2qcm h GLY 228 CO -0.27 0.49 -0.76 0.00 0.00 0.00 0.00 176.54 176.00 2qcm h ALA 229 N 1.37 0.38 -0.01 3.60 0.00 -1.80 -2.99 119.26 119.82 2qcm h ALA 229 Ca 0.36 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qcm h ALA 229 Cb -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qcm h ALA 229 CO -0.09 0.70 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 2qcm h ARG 230 N 0.49 0.01 0.00 0.00 3.08 -0.51 -1.30 114.38 116.16 2qcm h ARG 230 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2qcm h ARG 230 Cb 1.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2qcm h ARG 230 CO 0.15 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 2qcm h ALA 231 N 1.95 1.00 -0.15 0.04 0.00 -1.03 -2.26 119.26 118.81 2qcm h ALA 231 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qcm h ALA 231 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qcm h ALA 231 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2qcm n GLU 232 N -2.97 1.80 -1.77 0.00 1.02 -0.49 -4.67 120.64 113.57 2qcm n GLU 232 Ca -0.02 -1.76 -0.40 0.00 -0.02 0.00 0.00 57.16 54.96 2qcm n GLU 232 Cb 0.14 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2qcm n GLU 232 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qcm n LEU 233 N 1.04 5.14 -0.33 -4.62 4.77 -0.85 -4.86 117.00 117.28 2qcm n LEU 233 Ca 0.12 1.13 0.17 0.00 -0.03 0.00 0.00 56.01 57.41 2qcm n LEU 233 Cb 0.47 -1.61 0.37 0.00 -2.33 0.00 0.00 43.42 40.32 2qcm n LEU 233 CO 0.12 -0.09 1.12 -0.65 -1.33 0.00 0.00 177.39 176.55 2qcm h PRO 234 N 2.38 0.47 -0.50 3.23 0.11 -1.95 -1.82 132.00 133.92 2qcm h PRO 234 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qcm h PRO 234 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qcm h PRO 234 CO 0.61 0.31 0.00 0.54 -0.21 0.00 0.00 178.00 179.25 2qcm n ARG 235 N -4.96 2.42 -1.90 1.05 1.74 -1.26 -4.97 116.66 108.78 2qcm n ARG 235 Ca 0.26 -2.18 -0.40 0.00 -0.77 0.00 0.00 57.85 54.76 2qcm n ARG 235 Cb 0.75 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2qcm n ARG 235 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2qcm s ILE 236 N -1.34 2.26 0.28 0.55 1.10 -0.69 -4.99 121.20 118.37 2qcm s ILE 236 Ca 0.40 0.25 -0.27 0.00 -0.51 0.00 0.00 60.65 60.52 2qcm s ILE 236 Cb 0.22 -3.15 -0.09 0.00 0.15 0.00 0.00 42.46 39.58 2qcm s ILE 236 CO 0.30 0.05 0.92 -2.28 -2.11 0.00 0.00 174.94 171.83 2qcm s HIS 237 N -1.16 3.80 0.41 3.50 5.65 -1.26 -4.92 115.29 121.31 2qcm s HIS 237 Ca 0.54 1.80 0.12 0.00 0.25 0.00 0.00 55.06 57.77 2qcm s HIS 237 Cb -0.44 -2.92 0.94 0.00 -1.18 0.00 0.00 32.58 28.99 2qcm s HIS 237 CO 0.58 0.31 1.94 -1.35 -0.65 0.00 0.00 174.74 175.58 2qcm h PRO 238 N 3.56 0.51 -0.28 2.88 0.11 -1.95 0.14 132.00 136.95 2qcm h PRO 238 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2qcm h PRO 238 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qcm h PRO 238 CO 0.66 0.34 -0.29 0.28 -0.21 0.00 0.00 178.00 178.78 2qcm h VAL 239 N 0.52 1.30 -0.64 3.15 2.07 -1.93 -1.69 116.25 119.03 2qcm h VAL 239 Ca 0.34 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2qcm h VAL 239 Cb 0.60 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2qcm h VAL 239 CO -0.11 0.46 0.41 0.00 0.02 0.00 0.00 177.57 178.35 2qcm h ALA 240 N 0.70 0.82 -0.38 1.67 0.00 -1.62 -1.79 119.26 118.67 2qcm h ALA 240 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qcm h ALA 240 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2qcm h ALA 240 CO 0.07 0.20 0.23 1.03 0.00 0.00 0.00 179.25 180.78 2qcm h SER 241 N 0.82 0.45 -0.54 0.00 0.87 -0.61 0.85 113.55 115.39 2qcm h SER 241 Ca 0.24 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2qcm h SER 241 Cb -0.05 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 2qcm h SER 241 CO -0.07 0.36 0.29 0.50 -0.53 0.00 0.00 176.83 177.38 2qcm h LYS 242 N 0.50 0.54 0.07 2.24 3.64 -1.16 -0.25 116.57 122.15 2qcm h LYS 242 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2qcm h LYS 242 Cb -0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2qcm h LYS 242 CO -0.03 0.36 -0.03 1.25 -2.27 0.00 0.00 179.45 178.73 2qcm h LEU 243 N 0.56 -0.08 -0.95 5.20 5.85 -0.93 -2.25 115.31 122.71 2qcm h LEU 243 Ca 0.24 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qcm h LEU 243 Cb 0.12 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2qcm h LEU 243 CO -0.15 0.06 0.58 -0.07 -0.34 0.00 0.00 178.44 178.52 2qcm h LEU 244 N -0.21 1.14 -0.21 2.25 3.38 -0.56 -0.41 115.31 120.70 2qcm h LEU 244 Ca -0.01 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2qcm h LEU 244 Cb 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2qcm h LEU 244 CO 0.02 0.87 0.07 0.03 0.09 0.00 0.00 178.44 179.52 2qcm h ARG 245 N 1.31 0.16 -0.01 1.13 3.08 -0.96 -2.14 114.38 116.95 2qcm h ARG 245 Ca 0.34 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.23 2qcm h ARG 245 Cb -0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2qcm h ARG 245 CO -0.07 0.11 -0.69 1.37 -1.07 0.00 0.00 179.97 179.62 2qcm h LEU 246 N 0.17 0.08 -0.27 3.04 8.10 -0.93 -0.90 115.31 124.60 2qcm h LEU 246 Ca 0.09 -0.05 0.03 0.00 0.11 0.00 0.00 57.88 58.06 2qcm h LEU 246 Cb 0.06 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.23 2qcm h LEU 246 CO -0.09 0.74 0.09 0.24 -4.11 0.00 0.00 178.44 175.31 2qcm h MET 247 N 0.04 0.21 -0.26 0.17 2.86 -0.89 -0.74 114.93 116.31 2qcm h MET 247 Ca -0.01 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2qcm h MET 247 Cb 1.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2qcm h MET 247 CO 0.09 0.14 0.03 0.37 1.06 0.00 0.00 176.91 178.60 2qcm h GLN 248 N 0.21 0.44 -0.64 1.72 5.75 -1.19 0.97 115.11 122.38 2qcm h GLN 248 Ca 0.12 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2qcm h GLN 248 Cb 0.08 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 2qcm h GLN 248 CO -0.12 0.58 0.41 -0.22 -2.65 0.00 0.00 178.83 176.83 2qcm h LYS 249 N 0.25 0.79 -0.01 1.69 3.64 -1.04 -3.15 116.57 118.74 2qcm h LYS 249 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qcm h LYS 249 Cb 0.36 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2qcm h LYS 249 CO 0.01 0.52 -0.40 1.63 -2.27 0.00 0.00 179.45 178.94 2qcm n LYS 250 N -4.68 0.93 -3.68 1.90 5.02 -0.30 -4.96 118.16 112.39 2qcm n LYS 250 Ca 0.06 -0.67 -0.21 0.00 -2.02 0.00 0.00 58.31 55.47 2qcm n LYS 250 Cb 0.06 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2qcm n LYS 250 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qcm n GLU 251 N -0.45 -4.88 -3.76 1.97 1.02 0.27 -5.00 120.64 109.80 2qcm n GLU 251 Ca 0.10 0.63 -0.14 0.00 -0.02 0.00 0.00 57.16 57.73 2qcm n GLU 251 Cb 0.40 -5.20 -0.15 0.00 -0.02 0.00 0.00 31.44 26.46 2qcm n GLU 251 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2qcm s THR 252 N -3.64 -0.05 -0.22 2.62 -1.32 -0.81 -4.89 115.64 107.32 2qcm s THR 252 Ca 0.02 0.19 0.13 0.00 -1.21 0.00 0.00 61.69 60.82 2qcm s THR 252 Cb -0.00 -0.15 0.45 0.00 -1.51 0.00 0.00 72.50 71.29 2qcm s THR 252 CO 0.81 0.08 1.19 -0.46 -2.21 0.00 0.00 174.62 174.02 2qcm n ASN 253 N 4.14 2.85 -4.61 8.08 6.94 -1.26 -4.41 115.26 126.99 2qcm n ASN 253 Ca -0.27 -3.32 -0.35 0.00 -0.02 0.00 0.00 54.58 50.63 2qcm n ASN 253 Cb 0.51 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.41 2qcm n ASN 253 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qcm s LEU 254 N -3.05 3.75 -0.25 -4.53 2.96 -1.26 -1.75 118.68 114.54 2qcm s LEU 254 Ca 0.41 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2qcm s LEU 254 Cb 0.38 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2qcm s LEU 254 CO -0.04 0.16 0.03 0.00 -1.32 0.00 0.00 176.35 175.18 2qcm s LEU 256 N 1.54 4.30 -0.61 0.00 2.96 -0.64 -1.66 118.68 124.56 2qcm s LEU 256 Ca 0.05 1.63 -0.20 0.00 -0.22 0.00 0.00 54.13 55.40 2qcm s LEU 256 Cb -0.15 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.07 2qcm s LEU 256 CO 0.01 -0.40 0.76 -0.55 -1.32 0.00 0.00 176.35 174.84 2qcm s SER 257 N 1.11 6.19 -1.33 3.68 0.15 0.19 -0.06 113.70 123.64 2qcm s SER 257 Ca 0.51 -1.38 -0.10 0.00 0.70 0.00 0.00 55.95 55.68 2qcm s SER 257 Cb -0.20 -2.32 0.13 0.00 -1.71 0.00 0.00 66.02 61.91 2qcm s SER 257 CO 0.22 -1.17 2.02 0.00 1.20 0.00 0.00 173.24 175.51 2qcm n ALA 258 N 6.57 5.61 -2.46 5.45 0.00 -0.24 -4.36 120.51 131.08 2qcm n ALA 258 Ca -0.08 -4.20 -0.43 0.00 0.00 0.00 0.00 53.44 48.73 2qcm n ALA 258 Cb 0.43 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.82 2qcm n ALA 258 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qcm n ASP 259 N 4.02 4.97 -4.34 0.00 8.00 -1.26 -4.59 116.55 123.34 2qcm n ASP 259 Ca 0.45 -3.02 -0.19 0.00 0.71 0.00 0.00 54.79 52.74 2qcm n ASP 259 Cb 0.35 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.80 2qcm n ASP 259 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qcm s VAL 260 N 1.38 1.74 -0.64 2.53 -7.23 -1.26 -5.06 120.40 111.85 2qcm s VAL 260 Ca 0.43 -2.17 0.20 0.00 -1.81 0.00 0.00 61.98 58.63 2qcm s VAL 260 Cb 0.06 -2.01 -0.25 0.00 0.56 0.00 0.00 36.38 34.74 2qcm s VAL 260 CO -0.00 -0.56 0.72 -1.20 -0.31 0.00 0.00 175.10 173.75 2qcm n SER 261 N -0.28 0.73 -4.41 4.85 7.64 -1.26 -4.38 113.62 116.50 2qcm n SER 261 Ca -0.09 -0.65 -0.35 0.00 1.01 0.00 0.00 58.87 58.79 2qcm n SER 261 Cb 0.60 1.31 -0.13 0.00 -1.01 0.00 0.00 64.21 64.98 2qcm n SER 261 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2qcm s LEU 262 N -3.43 3.13 0.29 -3.43 2.96 -1.26 -0.73 118.68 116.21 2qcm s LEU 262 Ca 0.03 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2qcm s LEU 262 Cb 0.14 -1.79 0.69 0.00 0.50 0.00 0.00 46.19 45.73 2qcm s LEU 262 CO 0.83 0.05 1.77 0.00 -1.32 0.00 0.00 176.35 177.69 2qcm h ALA 263 N 7.58 1.57 -0.65 5.97 0.00 -1.91 -1.12 119.26 130.70 2qcm h ALA 263 Ca -0.36 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2qcm h ALA 263 Cb 1.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2qcm h ALA 263 CO 0.60 -0.06 0.12 -0.09 0.00 0.00 0.00 179.25 179.83 2qcm h ARG 264 N 0.73 1.04 -0.43 0.00 2.43 -1.97 -0.50 114.38 115.68 2qcm h ARG 264 Ca 0.55 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2qcm h ARG 264 Cb 0.84 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2qcm h ARG 264 CO -0.38 0.94 -0.04 1.49 -1.51 0.00 0.00 179.97 180.48 2qcm h GLU 265 N 0.98 0.79 -0.20 0.20 4.81 -1.74 0.11 114.58 119.55 2qcm h GLU 265 Ca 0.20 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2qcm h GLU 265 Cb 0.40 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2qcm h GLU 265 CO 0.01 0.88 -0.10 1.25 -0.73 0.00 0.00 179.01 180.31 2qcm h LEU 266 N 0.63 -0.34 -0.43 1.64 5.85 -0.78 0.46 115.31 122.34 2qcm h LEU 266 Ca 0.12 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 2qcm h LEU 266 Cb 0.55 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2qcm h LEU 266 CO 0.03 -0.13 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.69 2qcm h LEU 267 N -0.08 0.95 -0.85 2.25 3.38 -1.00 -0.05 115.31 119.91 2qcm h LEU 267 Ca 0.11 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2qcm h LEU 267 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qcm h LEU 267 CO -0.25 1.15 0.04 1.56 0.09 0.00 0.00 178.44 181.04 2qcm h GLN 268 N 0.75 0.91 -0.21 1.13 4.20 -0.76 -1.06 115.11 120.06 2qcm h GLN 268 Ca 0.09 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2qcm h GLN 268 Cb 0.81 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2qcm h GLN 268 CO 0.07 0.87 0.06 -0.07 -0.67 0.00 0.00 178.83 179.09 2qcm h LEU 269 N 0.85 0.32 -0.87 1.46 3.38 -0.75 -1.86 115.31 117.84 2qcm h LEU 269 Ca 0.17 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2qcm h LEU 269 Cb 0.44 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2qcm h LEU 269 CO 0.02 0.45 0.54 0.00 0.09 0.00 0.00 178.44 179.53 2qcm h ALA 270 N 0.88 1.20 -0.05 1.53 0.00 -0.73 0.11 119.26 122.19 2qcm h ALA 270 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qcm h ALA 270 Cb 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qcm h ALA 270 CO -0.00 0.27 -0.05 0.22 0.00 0.00 0.00 179.25 179.69 2qcm h ASP 271 N 0.97 0.14 -0.01 0.00 3.58 -1.15 -0.77 116.42 119.18 2qcm h ASP 271 Ca 0.38 -0.49 -0.16 0.00 0.42 0.00 0.00 57.03 57.18 2qcm h ASP 271 Cb 0.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2qcm h ASP 271 CO -0.18 0.60 -0.54 0.00 -2.88 0.00 0.00 179.24 176.24 2qcm h ALA 272 N 0.55 0.68 0.00 -0.78 0.00 -1.14 -3.24 119.26 115.32 2qcm h ALA 272 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qcm h ALA 272 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qcm h ALA 272 CO 0.01 0.69 -0.81 1.28 0.00 0.00 0.00 179.25 180.41 2qcm n LEU 273 N -3.97 0.78 -0.19 0.00 4.32 0.36 -4.50 117.00 113.80 2qcm n LEU 273 Ca -0.03 -0.28 -0.01 0.00 -0.02 0.00 0.00 56.01 55.67 2qcm n LEU 273 Cb 0.60 -0.10 0.07 0.00 -1.62 0.00 0.00 43.42 42.37 2qcm n LEU 273 CO 0.47 0.19 0.78 1.23 -1.22 0.00 0.00 177.39 178.84 2qcm h GLY 274 N 4.97 0.49 1.89 -0.72 0.00 -1.15 0.12 103.07 108.68 2qcm h GLY 274 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2qcm h GLY 274 CO 0.00 -0.21 0.05 -2.55 0.00 0.00 0.00 176.54 173.83 2qcm h PRO 275 N 0.04 0.00 -0.00 4.80 0.11 -1.80 -2.83 132.00 132.32 2qcm h PRO 275 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2qcm h PRO 275 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2qcm h PRO 275 CO -0.56 0.00 -0.57 0.43 -0.21 0.00 0.00 178.00 177.09 2qcm n SER 276 N -3.43 0.94 -4.40 -2.05 7.64 0.41 -4.98 113.62 107.76 2qcm n SER 276 Ca -0.02 -0.75 -0.28 0.00 1.01 0.00 0.00 58.87 58.83 2qcm n SER 276 Cb 0.13 0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 2qcm n SER 276 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2qcm s ILE 277 N -2.82 2.28 -0.81 0.44 -4.36 -1.07 -4.66 121.20 110.21 2qcm s ILE 277 Ca 0.14 -1.86 0.23 0.00 -0.26 0.00 0.00 60.65 58.91 2qcm s ILE 277 Cb 0.18 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.77 2qcm s ILE 277 CO 0.68 0.01 1.17 0.00 0.24 0.00 0.00 174.94 177.04 2qcm s MET 279 N -3.09 0.94 -0.14 0.00 -2.45 -1.23 -1.92 119.30 111.40 2qcm s MET 279 Ca 0.07 0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.82 2qcm s MET 279 Cb 0.16 0.44 0.02 0.00 1.25 0.00 0.00 34.83 36.70 2qcm s MET 279 CO 0.77 -0.28 -0.16 -1.17 1.05 0.00 0.00 175.02 175.23 2qcm s LEU 280 N -1.03 1.78 -0.20 4.11 0.20 -0.12 -1.62 118.68 121.81 2qcm s LEU 280 Ca -0.08 -0.50 -0.11 0.00 0.69 0.00 0.00 54.13 54.12 2qcm s LEU 280 Cb -0.01 -1.22 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 2qcm s LEU 280 CO 0.07 -0.02 0.19 -0.75 -0.29 0.00 0.00 176.35 175.55 2qcm s LYS 281 N 1.29 4.19 0.12 1.98 2.20 0.92 -1.32 119.74 129.12 2qcm s LYS 281 Ca 0.01 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2qcm s LYS 281 Cb -0.14 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2qcm s LYS 281 CO -0.08 0.23 -0.04 0.95 -0.36 0.00 0.00 175.35 176.05 2qcm s THR 282 N 0.54 3.66 -0.58 3.43 -4.23 0.52 -1.08 115.64 117.90 2qcm s THR 282 Ca 0.10 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2qcm s THR 282 Cb -0.12 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.10 2qcm s THR 282 CO 0.01 0.05 0.34 -1.00 -0.54 0.00 0.00 174.62 173.48 2qcm s HIS 283 N -1.39 3.30 0.47 3.99 3.76 -1.26 -1.06 115.29 123.09 2qcm s HIS 283 Ca 0.24 -3.18 0.34 0.00 -0.15 0.00 0.00 55.06 52.32 2qcm s HIS 283 Cb -0.11 -2.84 1.81 0.00 1.11 0.00 0.00 32.58 32.56 2qcm s HIS 283 CO 0.17 -0.70 2.18 0.28 -0.85 0.00 0.00 174.74 175.81 2qcm h VAL 284 N 5.19 0.29 0.00 -0.90 2.07 -1.96 -1.95 116.25 118.99 2qcm h VAL 284 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2qcm h VAL 284 Cb 0.86 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2qcm h VAL 284 CO 0.70 0.04 0.00 -0.90 0.02 0.00 0.00 177.57 177.44 2qcm n ASP 285 N -3.41 0.00 -0.12 0.57 5.75 -1.26 -2.19 116.55 115.89 2qcm n ASP 285 Ca -0.02 -1.11 0.07 0.00 -0.01 0.00 0.00 54.79 53.72 2qcm n ASP 285 Cb 0.17 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 2qcm n ASP 285 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2qcm n ILE 286 N -0.90 0.00 -2.32 2.12 5.41 -0.73 -4.95 119.36 117.99 2qcm n ILE 286 Ca 0.18 -0.23 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 2qcm n ILE 286 Cb 0.08 1.06 -0.02 0.00 -0.71 0.00 0.00 39.64 40.05 2qcm n ILE 286 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2qcm s LEU 287 N -2.41 3.87 0.46 1.39 1.43 -0.93 -4.42 118.68 118.06 2qcm s LEU 287 Ca 0.08 1.32 0.20 0.00 -1.03 0.00 0.00 54.13 54.70 2qcm s LEU 287 Cb 0.11 -3.54 1.10 0.00 0.03 0.00 0.00 46.19 43.90 2qcm s LEU 287 CO 0.51 -1.16 1.97 0.78 0.23 0.00 0.00 176.35 178.68 2qcm h ASN 288 N 9.86 0.00 -0.53 2.29 2.35 -1.25 -3.10 115.58 125.19 2qcm h ASN 288 Ca -0.29 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.08 2qcm h ASN 288 Cb 1.12 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.14 2qcm h ASN 288 CO 1.03 0.21 -0.81 -0.90 -1.65 0.00 0.00 177.43 175.30 2qcm n ASP 289 N -3.95 3.66 -4.63 5.81 5.68 -1.26 -5.05 116.55 116.81 2qcm n ASP 289 Ca -0.02 -3.45 -0.47 0.00 -0.50 0.00 0.00 54.79 50.35 2qcm n ASP 289 Cb 0.29 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 39.85 2qcm n ASP 289 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2qcm n PHE 290 N -0.72 1.82 -4.00 2.11 7.35 -1.18 -4.80 117.46 118.04 2qcm n PHE 290 Ca 0.32 0.52 -0.09 0.00 -0.76 0.00 0.00 57.45 57.44 2qcm n PHE 290 Cb 0.90 -2.39 -0.08 0.00 0.35 0.00 0.00 39.48 38.26 2qcm n PHE 290 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qcm s THR 291 N -0.05 0.08 0.35 -2.13 -4.23 -1.26 -5.03 115.64 103.38 2qcm s THR 291 Ca 0.71 -1.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.96 2qcm s THR 291 Cb -0.74 -1.84 0.25 0.00 1.34 0.00 0.00 72.50 71.51 2qcm s THR 291 CO 0.50 -0.38 1.98 -0.07 -0.54 0.00 0.00 174.62 176.11 2qcm h LEU 292 N 2.65 0.00 -0.94 4.79 3.38 -1.94 -1.85 115.31 121.41 2qcm h LEU 292 Ca -0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2qcm h LEU 292 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2qcm h LEU 292 CO 0.52 0.18 -0.45 0.44 0.09 0.00 0.00 178.44 179.22 2qcm h ASP 293 N 0.00 0.19 -0.67 -0.43 3.32 -1.99 -0.92 116.42 115.93 2qcm h ASP 293 Ca -0.00 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2qcm h ASP 293 Cb 0.47 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2qcm h ASP 293 CO 0.02 0.62 0.40 0.58 -1.72 0.00 0.00 179.24 179.14 2qcm h VAL 294 N 0.15 1.04 -0.40 -1.35 2.07 -1.70 -1.70 116.25 114.36 2qcm h VAL 294 Ca 0.01 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2qcm h VAL 294 Cb 0.85 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2qcm h VAL 294 CO 0.07 0.14 -0.09 0.24 0.02 0.00 0.00 177.57 177.95 2qcm h MET 295 N 0.77 0.69 -0.43 1.57 2.86 -1.29 -0.62 114.93 118.47 2qcm h MET 295 Ca 0.28 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2qcm h MET 295 Cb 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2qcm h MET 295 CO -0.14 0.76 0.26 -0.22 1.06 0.00 0.00 176.91 178.64 2qcm h LYS 296 N 0.63 0.51 -0.55 1.72 3.64 -0.79 0.10 116.57 121.84 2qcm h LYS 296 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2qcm h LYS 296 Cb 0.52 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2qcm h LYS 296 CO 0.03 0.34 0.12 0.93 -2.27 0.00 0.00 179.45 178.60 2qcm h GLU 297 N 0.53 0.86 -0.58 1.90 4.39 -0.84 -1.36 114.58 119.47 2qcm h GLU 297 Ca 0.17 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2qcm h GLU 297 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2qcm h GLU 297 CO -0.07 0.79 0.15 1.25 -1.16 0.00 0.00 179.01 179.97 2qcm h LEU 298 N 0.82 0.88 -0.91 1.33 5.85 -0.66 -2.33 115.31 120.29 2qcm h LEU 298 Ca 0.18 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2qcm h LEU 298 Cb 0.33 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2qcm h LEU 298 CO 0.00 0.88 0.53 0.40 -0.34 0.00 0.00 178.44 179.92 2qcm h ILE 299 N 0.84 1.25 -0.60 4.05 2.04 -0.41 0.28 117.51 124.97 2qcm h ILE 299 Ca 0.18 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2qcm h ILE 299 Cb 0.34 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2qcm h ILE 299 CO 0.00 0.27 0.35 0.74 0.00 0.00 0.00 178.15 179.51 2qcm h THR 300 N 1.25 1.03 -0.46 -0.27 2.02 -0.91 -0.17 112.91 115.41 2qcm h THR 300 Ca 0.32 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2qcm h THR 300 Cb -0.03 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2qcm h THR 300 CO -0.06 0.12 0.02 -0.07 0.37 0.00 0.00 175.52 175.91 2qcm h LEU 301 N 0.68 0.78 -0.57 2.58 3.38 -0.94 -3.11 115.31 118.11 2qcm h LEU 301 Ca 0.25 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qcm h LEU 301 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2qcm h LEU 301 CO -0.13 0.88 0.32 0.00 0.09 0.00 0.00 178.44 179.60 2qcm h ALA 302 N 0.93 0.75 0.00 1.53 0.00 -0.46 0.10 119.26 122.11 2qcm h ALA 302 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qcm h ALA 302 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qcm h ALA 302 CO 0.02 -0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 2qcm n LYS 303 N -4.82 0.38 0.00 0.00 5.02 -0.12 -0.39 118.16 118.23 2qcm n LYS 303 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2qcm n LYS 303 Cb 0.13 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2qcm n LYS 303 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qcm n HIS 305 N 0.42 0.00 -2.63 2.13 8.25 0.36 -4.87 115.22 118.88 2qcm n HIS 305 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2qcm n HIS 305 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2qcm n HIS 305 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qcm n GLU 306 N 0.00 -1.33 -3.98 -0.41 1.02 0.47 -4.57 120.64 111.84 2qcm n GLU 306 Ca 0.00 1.45 -0.08 0.00 -0.02 0.00 0.00 57.16 58.51 2qcm n GLU 306 Cb 0.00 -4.74 -0.09 0.00 -0.02 0.00 0.00 31.44 26.58 2qcm n GLU 306 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2qcm s PHE 307 N -2.70 0.32 0.37 -0.32 -0.12 -0.69 -4.80 117.98 110.05 2qcm s PHE 307 Ca 0.08 -0.72 -0.09 0.00 -0.05 0.00 0.00 56.93 56.14 2qcm s PHE 307 Cb -0.02 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.08 2qcm s PHE 307 CO 0.58 -0.37 0.71 -0.51 -0.05 0.00 0.00 175.22 175.58 2qcm s LEU 308 N -2.43 3.90 -0.22 -1.99 1.02 -0.81 -4.61 118.68 113.54 2qcm s LEU 308 Ca -0.01 1.04 -0.08 0.00 0.02 0.00 0.00 54.13 55.10 2qcm s LEU 308 Cb 0.02 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.29 2qcm s LEU 308 CO -0.07 -0.34 0.08 -0.63 0.02 0.00 0.00 176.35 175.41 2qcm s ILE 309 N -2.28 4.62 -0.24 -0.59 1.01 -1.26 -0.94 121.20 121.52 2qcm s ILE 309 Ca 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.09 2qcm s ILE 309 Cb -0.10 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.29 2qcm s ILE 309 CO 0.30 0.39 -0.13 0.12 0.00 0.00 0.00 174.94 175.62 2qcm s PHE 310 N 1.01 3.12 -0.28 3.97 5.36 -0.43 -0.98 117.98 129.75 2qcm s PHE 310 Ca 0.04 -2.14 -0.19 0.00 -0.96 0.00 0.00 56.93 53.68 2qcm s PHE 310 Cb -0.14 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2qcm s PHE 310 CO 0.03 -0.86 0.55 -2.00 -1.46 0.00 0.00 175.22 171.49 2qcm s GLU 311 N 1.16 4.00 -1.38 10.12 2.56 -0.47 -0.35 118.70 134.34 2qcm s GLU 311 Ca -0.05 0.31 -0.08 0.00 0.00 0.00 0.00 54.97 55.15 2qcm s GLU 311 Cb -0.18 -3.68 0.09 0.00 2.00 0.00 0.00 34.13 32.35 2qcm s GLU 311 CO -0.07 -0.43 2.37 -1.71 -0.56 0.00 0.00 175.26 174.85 2qcm n ASN 312 N 5.65 7.26 0.16 -1.70 2.85 -0.23 -3.75 115.26 125.50 2qcm n ASN 312 Ca -0.03 -3.01 0.04 0.00 -0.11 0.00 0.00 54.58 51.47 2qcm n ASN 312 Cb 0.49 -1.44 0.06 0.00 1.24 0.00 0.00 39.78 40.13 2qcm n ASN 312 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2qcm h ARG 313 N 5.02 0.00 -6.16 1.20 9.65 -1.84 -3.47 114.38 118.78 2qcm h ARG 313 Ca 0.66 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 59.10 2qcm h ARG 313 Cb 0.39 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.01 2qcm h ARG 313 CO 1.59 0.40 -0.84 1.63 2.80 0.00 0.00 179.97 185.56 2qcm n LYS 314 N -3.21 -4.64 -1.58 0.20 5.02 -1.15 -4.88 118.16 107.93 2qcm n LYS 314 Ca 0.02 0.58 -0.47 0.00 -2.02 0.00 0.00 58.31 56.42 2qcm n LYS 314 Cb 0.69 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.60 2qcm n LYS 314 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2qcm n PHE 315 N -4.29 1.28 -2.69 2.13 3.72 -0.85 -4.49 117.46 112.26 2qcm n PHE 315 Ca -0.30 0.68 -0.05 0.00 -0.05 0.00 0.00 57.45 57.73 2qcm n PHE 315 Cb 0.68 -2.27 0.12 0.00 -0.94 0.00 0.00 39.48 37.07 2qcm n PHE 315 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qcm n ALA 316 N 1.06 2.00 -3.72 4.37 0.00 -1.26 -0.87 120.51 122.09 2qcm n ALA 316 Ca 0.13 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.26 2qcm n ALA 316 Cb 0.27 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 2qcm n ALA 316 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qcm n ASP 317 N -1.02 -0.65 -4.72 0.00 -0.08 -1.26 -4.80 116.55 104.02 2qcm n ASP 317 Ca -0.09 -2.29 -0.35 0.00 -1.51 0.00 0.00 54.79 50.54 2qcm n ASP 317 Cb 0.86 1.33 0.09 0.00 2.34 0.00 0.00 41.12 45.75 2qcm n ASP 317 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qcm s ILE 318 N -2.76 2.03 0.28 5.18 -4.36 -1.26 -4.30 121.20 116.00 2qcm s ILE 318 Ca 0.22 0.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.63 2qcm s ILE 318 Cb 0.00 -2.75 0.28 0.00 1.25 0.00 0.00 42.46 41.24 2qcm s ILE 318 CO 0.15 -0.01 1.84 1.23 0.24 0.00 0.00 174.94 178.39 2qcm h GLY 319 N -0.08 1.65 1.37 6.27 0.00 -1.88 -1.85 103.07 108.55 2qcm h GLY 319 Ca -0.49 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 2qcm h GLY 319 CO 0.50 0.16 0.29 -0.57 0.00 0.00 0.00 176.54 176.92 2qcm h ASN 320 N 1.00 0.74 -0.01 0.19 -0.73 -1.90 -2.29 115.58 112.57 2qcm h ASN 320 Ca 0.50 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.57 2qcm h ASN 320 Cb 0.49 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2qcm h ASN 320 CO -0.27 0.62 -0.10 0.74 -0.37 0.00 0.00 177.43 178.05 2qcm h THR 321 N 0.82 1.55 -0.14 -3.57 2.02 -1.71 -3.33 112.91 108.55 2qcm h THR 321 Ca 0.21 -1.76 -0.05 0.00 0.77 0.00 0.00 66.41 65.58 2qcm h THR 321 Cb 0.07 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2qcm h THR 321 CO -0.03 0.47 -0.12 -0.37 0.37 0.00 0.00 175.52 175.84 2qcm h VAL 322 N -0.59 1.17 -0.57 3.16 -1.51 -1.29 -1.85 116.25 114.76 2qcm h VAL 322 Ca -0.01 -0.73 -0.03 0.00 -1.23 0.00 0.00 66.70 64.70 2qcm h VAL 322 Cb 0.83 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 2qcm h VAL 322 CO 0.02 0.23 0.22 0.07 -1.23 0.00 0.00 177.57 176.87 2qcm h LYS 323 N 0.21 0.82 -0.20 5.19 2.10 -1.53 0.14 116.57 123.30 2qcm h LYS 323 Ca 0.04 -0.13 -0.19 0.00 -2.00 0.00 0.00 60.65 58.37 2qcm h LYS 323 Cb 0.35 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2qcm h LYS 323 CO 0.02 0.68 -0.64 0.87 -2.00 0.00 0.00 179.45 178.39 2qcm h LYS 324 N 0.81 0.72 -0.13 0.07 1.57 -1.47 -2.62 116.57 115.52 2qcm h LYS 324 Ca 0.19 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 2qcm h LYS 324 Cb 0.18 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2qcm h LYS 324 CO -0.02 1.13 -0.21 1.96 -0.57 0.00 0.00 179.45 181.75 2qcm h GLN 325 N 0.53 0.21 0.04 3.15 4.20 -0.78 -0.04 115.11 122.42 2qcm h GLN 325 Ca -0.01 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2qcm h GLN 325 Cb 1.23 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.01 2qcm h GLN 325 CO 0.13 0.42 -0.73 -0.92 -0.67 0.00 0.00 178.83 177.06 2qcm h TYR 326 N 0.20 0.66 0.17 2.96 3.20 -0.92 -3.38 116.97 119.86 2qcm h TYR 326 Ca 0.04 -0.39 -0.34 0.00 3.14 0.00 0.00 58.73 61.18 2qcm h TYR 326 Cb 0.49 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.70 2qcm h TYR 326 CO 0.01 1.23 -1.65 1.49 -1.64 0.00 0.00 178.16 177.60 2qcm h GLU 327 N -0.10 0.37 0.00 1.82 4.81 -1.42 -0.77 114.58 119.28 2qcm h GLU 327 Ca -0.10 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2qcm h GLU 327 Cb 1.46 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2qcm h GLU 327 CO 0.14 1.27 0.00 0.41 -0.73 0.00 0.00 179.01 180.10 2qcm n GLY 328 N 1.78 3.71 7.00 1.92 0.00 -0.04 -4.39 105.19 115.17 2qcm n GLY 328 Ca -0.21 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2qcm n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qcm n GLY 329 N 5.00 -1.05 0.16 -0.02 0.00 -1.26 -2.29 105.19 105.73 2qcm n GLY 329 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.96 2qcm n GLY 329 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2qcm h ILE 330 N 0.00 0.86 0.00 -0.61 3.07 -1.98 -3.30 117.51 115.56 2qcm h ILE 330 Ca 0.00 -1.92 -0.18 0.00 1.55 0.00 0.00 64.86 64.30 2qcm h ILE 330 Cb 0.00 2.21 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 2qcm h ILE 330 CO 0.00 0.44 -0.87 -0.26 -1.05 0.00 0.00 178.15 176.41 2qcm h PHE 331 N 0.00 0.00 -6.98 0.16 0.04 -1.96 -3.46 116.94 104.74 2qcm h PHE 331 Ca -0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 2qcm h PHE 331 Cb 1.18 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 2qcm h PHE 331 CO 0.00 0.87 -1.01 1.63 -0.60 0.00 0.00 178.31 179.20 2qcm n LYS 332 N -3.34 -0.38 -0.31 1.51 5.02 -0.97 -4.82 118.16 114.88 2qcm n LYS 332 Ca 0.00 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 2qcm n LYS 332 Cb 0.88 -2.72 0.16 0.00 -0.02 0.00 0.00 35.03 33.34 2qcm n LYS 332 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2qcm h ILE 333 N -2.49 0.97 0.00 -0.18 2.04 -1.74 -0.91 117.51 115.21 2qcm h ILE 333 Ca -0.71 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 2qcm h ILE 333 Cb 1.41 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2qcm h ILE 333 CO 0.56 0.16 -0.05 0.00 0.00 0.00 0.00 178.15 178.83 2qcm h ALA 334 N 1.44 1.23 0.00 1.87 0.00 -1.42 -0.98 119.26 121.41 2qcm h ALA 334 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2qcm h ALA 334 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qcm h ALA 334 CO -0.21 0.06 -0.09 0.77 0.00 0.00 0.00 179.25 179.78 2qcm h SER 335 N 0.00 0.00 0.00 0.00 0.02 -1.44 -3.37 113.55 108.76 2qcm h SER 335 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qcm h SER 335 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2qcm h SER 335 CO 0.01 0.09 -0.43 -2.67 -1.14 0.00 0.00 176.83 172.68 2qcm n TRP 336 N -3.17 0.00 -3.14 3.45 4.27 -0.90 -5.04 117.44 112.90 2qcm n TRP 336 Ca 0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.22 2qcm n TRP 336 Cb 0.43 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.32 2qcm n TRP 336 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2qcm s ALA 337 N -1.03 3.55 0.19 -1.67 0.00 -0.42 -4.83 121.76 117.54 2qcm s ALA 337 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2qcm s ALA 337 Cb 0.00 -3.05 0.10 0.00 0.00 0.00 0.00 23.12 20.17 2qcm s ALA 337 CO 0.00 -0.99 1.83 -0.44 0.00 0.00 0.00 175.76 176.15 2qcm h ASP 338 N 8.14 0.75 -4.29 0.00 3.32 -1.40 -3.44 116.42 119.50 2qcm h ASP 338 Ca -0.27 -0.06 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 2qcm h ASP 338 Cb 1.12 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 40.23 2qcm h ASP 338 CO 0.78 0.58 -0.82 -0.76 -1.72 0.00 0.00 179.24 177.30 2qcm s LEU 339 N -10.05 2.17 0.39 1.55 1.43 -0.76 -1.69 118.68 111.71 2qcm s LEU 339 Ca -0.13 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2qcm s LEU 339 Cb 0.13 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 2qcm s LEU 339 CO 0.77 0.11 0.11 0.68 0.23 0.00 0.00 176.35 178.25 2qcm s VAL 340 N -0.83 0.73 0.22 -1.59 -7.23 -0.99 -1.36 120.40 109.34 2qcm s VAL 340 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2qcm s VAL 340 Cb -0.08 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2qcm s VAL 340 CO 0.02 0.00 -0.01 0.54 -0.31 0.00 0.00 175.10 175.33 2qcm s ASN 341 N -3.57 1.79 -0.03 4.85 4.22 -1.25 -0.75 114.94 120.20 2qcm s ASN 341 Ca 0.27 -1.20 -0.07 0.00 -2.14 0.00 0.00 52.86 49.72 2qcm s ASN 341 Cb 0.04 0.02 0.01 0.00 1.28 0.00 0.00 41.25 42.59 2qcm s ASN 341 CO 0.14 -0.50 0.15 0.00 -2.04 0.00 0.00 177.10 174.86 2qcm s ALA 342 N -3.43 -0.37 0.43 3.54 0.00 -0.42 -2.02 121.76 119.50 2qcm s ALA 342 Ca 0.27 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.17 2qcm s ALA 342 Cb 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 2qcm s ALA 342 CO 0.08 -0.15 0.96 -1.01 0.00 0.00 0.00 175.76 175.64 2qcm s HIS 343 N -0.71 3.30 -2.05 0.00 3.76 -0.04 -1.54 115.29 118.02 2qcm s HIS 343 Ca -0.08 1.62 0.25 0.00 -0.15 0.00 0.00 55.06 56.69 2qcm s HIS 343 Cb -0.05 -2.88 0.37 0.00 1.11 0.00 0.00 32.58 31.13 2qcm s HIS 343 CO 0.01 -0.18 1.33 1.33 -0.85 0.00 0.00 174.74 176.39 2qcm n VAL 344 N -0.59 0.00 -0.25 -0.90 0.24 -1.26 -4.47 118.33 111.10 2qcm n VAL 344 Ca 0.07 -0.23 0.22 0.00 -2.04 0.00 0.00 64.34 62.35 2qcm n VAL 344 Cb 0.53 0.90 0.55 0.00 -1.47 0.00 0.00 33.84 34.35 2qcm n VAL 344 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2qcm h VAL 345 N 2.16 0.62 0.00 3.34 3.04 -1.94 -0.79 116.25 122.69 2qcm h VAL 345 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2qcm h VAL 345 Cb 0.66 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2qcm h VAL 345 CO 0.00 0.06 0.00 -2.65 -1.01 0.00 0.00 177.57 173.97 2qcm n PRO 346 N -4.49 0.14 0.00 4.17 -0.02 -1.26 -5.02 135.00 128.52 2qcm n PRO 346 Ca 0.20 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2qcm n PRO 346 Cb 0.78 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 2qcm n PRO 346 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qcm n GLY 347 N 0.58 -0.20 0.12 -1.23 0.00 -0.30 -4.64 105.19 99.52 2qcm n GLY 347 Ca 0.07 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.35 2qcm n GLY 347 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qcm n SER 348 N -0.60 0.55 0.04 1.61 3.41 -1.26 -1.85 113.62 115.51 2qcm n SER 348 Ca 0.00 0.67 0.20 0.00 -0.26 0.00 0.00 58.87 59.48 2qcm n SER 348 Cb 0.00 -0.77 0.72 0.00 -0.26 0.00 0.00 64.21 63.89 2qcm n SER 348 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qcm h GLY 349 N 1.62 0.00 1.25 5.00 0.00 -1.95 -1.25 103.07 107.74 2qcm h GLY 349 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2qcm h GLY 349 CO 0.00 0.00 -0.00 -0.24 0.00 0.00 0.00 176.54 176.30 2qcm h VAL 350 N 0.00 1.25 -0.13 4.60 3.04 -1.56 -0.60 116.25 122.86 2qcm h VAL 350 Ca 0.22 -1.08 -0.08 0.00 -1.01 0.00 0.00 66.70 64.76 2qcm h VAL 350 Cb 0.97 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2qcm h VAL 350 CO -0.00 0.39 -0.23 0.58 -1.01 0.00 0.00 177.57 177.29 2qcm h VAL 351 N 0.84 1.37 -0.89 1.51 2.07 -1.50 -2.59 116.25 117.06 2qcm h VAL 351 Ca 0.16 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.21 2qcm h VAL 351 Cb 0.50 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2qcm h VAL 351 CO 0.02 0.44 0.59 0.11 0.02 0.00 0.00 177.57 178.75 2qcm h LYS 352 N -0.02 1.15 -0.30 1.57 1.57 -1.08 0.25 116.57 119.71 2qcm h LYS 352 Ca 0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2qcm h LYS 352 Cb 0.81 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qcm h LYS 352 CO 0.05 0.76 0.06 0.78 -0.57 0.00 0.00 179.45 180.53 2qcm h GLY 353 N 1.19 0.53 1.13 3.86 0.00 -1.15 -2.87 103.07 105.76 2qcm h GLY 353 Ca 0.34 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 2qcm h GLY 353 CO -0.09 0.32 0.13 1.41 0.00 0.00 0.00 176.54 178.32 2qcm h LEU 354 N 0.33 1.02 -1.58 3.11 3.38 -1.02 -2.78 115.31 117.75 2qcm h LEU 354 Ca 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2qcm h LEU 354 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qcm h LEU 354 CO 0.00 1.00 -0.15 0.06 0.09 0.00 0.00 178.44 179.44 2qcm h GLN 355 N 1.01 0.00 -0.81 1.13 3.07 -0.87 0.44 115.11 119.08 2qcm h GLN 355 Ca 0.21 0.00 0.13 0.00 0.09 0.00 0.00 58.65 59.07 2qcm h GLN 355 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.90 2qcm h GLN 355 CO 0.01 0.15 0.53 1.49 0.09 0.00 0.00 178.83 181.10 2qcm h GLU 356 N 0.00 0.59 0.06 0.06 4.81 -1.27 -0.22 114.58 118.60 2qcm h GLU 356 Ca -0.00 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 58.83 2qcm h GLU 356 Cb 0.51 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 2qcm h GLU 356 CO 0.02 0.39 -2.11 0.28 -0.73 0.00 0.00 179.01 176.86 2qcm n VAL 357 N -4.52 1.64 0.07 0.32 0.31 -0.76 -4.56 118.33 110.83 2qcm n VAL 357 Ca 0.15 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2qcm n VAL 357 Cb 0.44 -1.69 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 2qcm n VAL 357 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2qcm h GLY 358 N 0.91 0.41 0.83 2.92 0.00 -0.73 -3.15 103.07 104.27 2qcm h GLY 358 Ca -0.49 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.15 2qcm h GLY 358 CO -0.06 0.61 -0.02 1.41 0.00 0.00 0.00 176.54 178.49 2qcm h LEU 359 N 0.22 -0.04 -1.98 3.11 3.38 -1.27 -0.04 115.31 118.68 2qcm h LEU 359 Ca -0.06 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qcm h LEU 359 Cb 1.51 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2qcm h LEU 359 CO 0.15 0.14 0.22 -0.65 0.09 0.00 0.00 178.44 178.39 2qcm h PRO 360 N -0.22 0.02 -0.46 1.13 0.11 -1.77 -1.45 132.00 129.38 2qcm h PRO 360 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2qcm h PRO 360 Cb 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2qcm h PRO 360 CO 0.01 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.09 2qcm n LEU 361 N -4.45 2.70 -2.53 2.35 4.77 -0.94 -4.94 117.00 113.96 2qcm n LEU 361 Ca 0.04 -1.30 -0.19 0.00 -0.03 0.00 0.00 56.01 54.53 2qcm n LEU 361 Cb 0.37 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2qcm n LEU 361 CO 0.36 0.65 -0.01 1.41 -1.33 0.00 0.00 177.39 178.47 2qcm n HIS 362 N 0.98 -1.61 -2.91 -1.77 8.25 -0.40 -4.99 115.22 112.75 2qcm n HIS 362 Ca 0.17 0.42 -0.19 0.00 -0.26 0.00 0.00 57.72 57.87 2qcm n HIS 362 Cb 0.44 -3.92 0.02 0.00 1.12 0.00 0.00 29.99 27.65 2qcm n HIS 362 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qcm s ARG 363 N -5.48 2.76 0.26 -0.41 1.81 -0.17 -4.81 118.95 112.91 2qcm s ARG 363 Ca 0.24 -1.06 0.07 0.00 -1.72 0.00 0.00 55.73 53.26 2qcm s ARG 363 Cb -0.11 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.67 2qcm s ARG 363 CO 0.30 -0.40 -0.08 0.20 -0.68 0.00 0.00 175.30 174.65 2qcm s GLY 364 N -4.36 1.72 0.04 -3.53 0.00 -0.68 -4.69 107.32 95.82 2qcm s GLY 364 Ca 0.55 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 43.47 2qcm s GLY 364 CO 0.35 -1.81 -0.11 0.00 0.00 0.00 0.00 173.10 171.53 2qcm s LEU 366 N -1.28 2.68 -0.12 0.00 1.43 0.07 -0.64 118.68 120.82 2qcm s LEU 366 Ca -0.03 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2qcm s LEU 366 Cb -0.08 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2qcm s LEU 366 CO 0.01 0.31 0.09 -0.76 0.23 0.00 0.00 176.35 176.23 2qcm s LEU 367 N -0.55 4.08 -0.66 1.79 1.43 -0.34 -1.30 118.68 123.14 2qcm s LEU 367 Ca 0.08 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 2qcm s LEU 367 Cb -0.11 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.17 2qcm s LEU 367 CO 0.01 0.37 1.09 -0.63 0.23 0.00 0.00 176.35 177.43 2qcm s ILE 368 N -0.82 4.09 -0.08 -0.59 1.01 -0.59 -1.19 121.20 123.04 2qcm s ILE 368 Ca 0.13 0.15 0.14 0.00 0.00 0.00 0.00 60.65 61.07 2qcm s ILE 368 Cb -0.12 -4.74 -0.23 0.00 0.01 0.00 0.00 42.46 37.38 2qcm s ILE 368 CO 0.03 -1.52 0.56 0.00 0.00 0.00 0.00 174.94 174.00 2qcm n ALA 369 N 8.32 1.54 -2.68 9.38 0.00 -0.24 -4.48 120.51 132.35 2qcm n ALA 369 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 2qcm n ALA 369 Cb 0.47 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2qcm n ALA 369 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qcm s GLU 370 N -2.61 0.70 0.16 0.00 2.02 -1.14 -4.17 118.70 113.66 2qcm s GLU 370 Ca -0.06 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.21 2qcm s GLU 370 Cb 0.08 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.55 2qcm s GLU 370 CO 0.83 -0.20 -0.16 -1.64 0.02 0.00 0.00 175.26 174.10 2qcm s MET 371 N -3.05 1.23 0.00 1.61 -1.94 -1.26 -4.17 119.30 111.72 2qcm s MET 371 Ca -0.01 -1.41 0.27 0.00 -1.71 0.00 0.00 55.69 52.82 2qcm s MET 371 Cb 0.01 -1.19 0.87 0.00 2.01 0.00 0.00 34.83 36.53 2qcm s MET 371 CO -0.07 0.23 1.67 -1.13 -0.01 0.00 0.00 175.02 175.71 2qcm n SER 372 N 0.19 0.25 -4.92 3.03 3.41 -1.26 -4.87 113.62 109.46 2qcm n SER 372 Ca -0.12 0.12 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 2qcm n SER 372 Cb 0.58 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2qcm n SER 372 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qcm s SER 373 N -3.00 6.40 0.08 4.04 1.04 -1.26 -3.51 113.70 117.49 2qcm s SER 373 Ca 0.12 0.59 -0.31 0.00 0.48 0.00 0.00 55.95 56.84 2qcm s SER 373 Cb 0.18 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 2qcm s SER 373 CO 0.62 -0.17 1.57 -0.89 0.98 0.00 0.00 173.24 175.34 2qcm s THR 374 N -2.07 3.12 0.00 2.02 2.01 0.55 -2.09 115.64 119.17 2qcm s THR 374 Ca 0.42 0.63 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2qcm s THR 374 Cb -0.11 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2qcm s THR 374 CO 0.31 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2qcm n GLY 375 N 3.84 0.74 3.58 4.40 0.00 -1.26 -4.99 105.19 111.51 2qcm n GLY 375 Ca 0.15 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.66 2qcm n GLY 375 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qcm n SER 376 N 0.00 1.42 -0.90 1.61 2.88 -0.89 -4.88 113.62 112.87 2qcm n SER 376 Ca 0.00 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.79 2qcm n SER 376 Cb 0.00 -1.19 0.27 0.00 -0.75 0.00 0.00 64.21 62.53 2qcm n SER 376 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2qcm n LEU 377 N 2.23 2.72 -3.96 2.46 4.77 -1.26 -4.67 117.00 119.29 2qcm n LEU 377 Ca 0.17 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 54.60 2qcm n LEU 377 Cb 0.22 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2qcm n LEU 377 CO 0.62 0.56 1.97 0.00 -1.33 0.00 0.00 177.39 179.21 2qcm n ALA 378 N 1.03 5.11 -2.18 -1.18 0.00 -1.26 -4.82 120.51 117.21 2qcm n ALA 378 Ca 0.18 -4.23 -0.11 0.00 0.00 0.00 0.00 53.44 49.27 2qcm n ALA 378 Cb 0.50 -3.09 -0.10 0.00 0.00 0.00 0.00 19.45 16.77 2qcm n ALA 378 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qcm s THR 379 N 1.05 0.15 0.00 0.00 -4.23 -1.26 -4.30 115.64 107.05 2qcm s THR 379 Ca 0.41 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2qcm s THR 379 Cb 0.08 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2qcm s THR 379 CO -0.01 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 2qcm n GLY 380 N -0.18 3.56 0.26 3.99 0.00 -1.26 -1.44 105.19 110.13 2qcm n GLY 380 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2qcm n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qcm h ASP 381 N 0.00 0.00 -0.11 1.61 3.32 -1.99 -1.98 116.42 117.27 2qcm h ASP 381 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qcm h ASP 381 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qcm h ASP 381 CO 0.00 0.10 0.01 0.22 -1.72 0.00 0.00 179.24 177.85 2qcm h TYR 382 N 0.00 0.20 -0.64 4.55 3.20 -1.56 -0.79 116.97 121.93 2qcm h TYR 382 Ca -0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2qcm h TYR 382 Cb 0.23 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 2qcm h TYR 382 CO 0.00 0.40 0.38 1.15 -1.64 0.00 0.00 178.16 178.44 2qcm h THR 383 N -0.06 1.19 -0.91 1.81 2.02 -1.34 -1.32 112.91 114.30 2qcm h THR 383 Ca 0.03 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2qcm h THR 383 Cb 0.31 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2qcm h THR 383 CO 0.00 0.20 0.60 0.03 0.37 0.00 0.00 175.52 176.73 2qcm h ARG 384 N 0.87 1.18 -0.46 6.66 3.08 -1.28 -1.64 114.38 122.79 2qcm h ARG 384 Ca 0.23 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2qcm h ARG 384 Cb -0.01 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 2qcm h ARG 384 CO -0.04 0.78 -0.10 0.00 -1.07 0.00 0.00 179.97 179.54 2qcm h ALA 385 N 1.44 0.96 -0.58 0.04 0.00 -0.60 -1.06 119.26 119.46 2qcm h ALA 385 Ca 0.34 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qcm h ALA 385 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2qcm h ALA 385 CO -0.08 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.00 2qcm h ALA 386 N 1.14 0.75 -0.20 0.00 0.00 -0.57 -1.01 119.26 119.36 2qcm h ALA 386 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qcm h ALA 386 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qcm h ALA 386 CO 0.04 0.38 0.05 0.28 0.00 0.00 0.00 179.25 180.00 2qcm h VAL 387 N 0.80 1.20 -0.57 0.00 2.07 -1.00 -0.91 116.25 117.84 2qcm h VAL 387 Ca 0.19 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2qcm h VAL 387 Cb 0.22 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2qcm h VAL 387 CO -0.01 0.20 0.32 -0.09 0.02 0.00 0.00 177.57 178.01 2qcm h ARG 388 N 0.15 0.61 -0.81 1.57 2.43 -1.10 -0.69 114.38 116.53 2qcm h ARG 388 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2qcm h ARG 388 Cb 0.26 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2qcm h ARG 388 CO -0.00 0.40 0.39 1.98 -1.51 0.00 0.00 179.97 181.23 2qcm h MET 389 N 0.63 1.17 -0.06 0.20 4.05 -0.92 -0.83 114.93 119.16 2qcm h MET 389 Ca 0.24 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2qcm h MET 389 Cb 0.09 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2qcm h MET 389 CO -0.13 0.90 0.02 0.00 0.23 0.00 0.00 176.91 177.92 2qcm h ALA 390 N 1.27 0.08 0.00 0.39 0.00 -0.82 -2.76 119.26 117.42 2qcm h ALA 390 Ca 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qcm h ALA 390 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qcm h ALA 390 CO -0.03 -0.31 -0.25 0.93 0.00 0.00 0.00 179.25 179.58 2qcm h GLU 391 N -0.10 0.00 -0.00 0.00 5.08 -0.77 -1.35 114.58 117.44 2qcm h GLU 391 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qcm h GLU 391 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qcm h GLU 391 CO -0.00 0.25 -0.12 0.39 -1.00 0.00 0.00 179.01 178.53 2qcm n GLU 392 N -4.04 0.66 -2.56 2.33 1.02 -0.35 -4.03 120.64 113.67 2qcm n GLU 392 Ca -0.02 -0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 56.77 2qcm n GLU 392 Cb 0.32 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2qcm n GLU 392 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qcm n HIS 393 N -0.98 1.91 0.42 -0.32 8.25 -0.52 -4.91 115.22 119.07 2qcm n HIS 393 Ca 0.14 -2.54 0.09 0.00 -0.26 0.00 0.00 57.72 55.16 2qcm n HIS 393 Cb 0.28 -0.27 0.40 0.00 1.12 0.00 0.00 29.99 31.52 2qcm n HIS 393 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qcm n SER 394 N -0.43 0.34 0.19 0.41 3.41 -1.14 -0.71 113.62 115.69 2qcm n SER 394 Ca 0.21 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.55 2qcm n SER 394 Cb 0.81 -0.66 0.54 0.00 -0.26 0.00 0.00 64.21 64.65 2qcm n SER 394 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2qcm h GLU 395 N 0.00 0.00 0.00 4.33 9.09 -1.91 -3.37 114.58 122.72 2qcm h GLU 395 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2qcm h GLU 395 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2qcm h GLU 395 CO 0.00 0.00 -0.47 0.34 0.05 0.00 0.00 179.01 178.93 2qcm n PHE 396 N -2.64 0.00 -2.93 2.06 7.35 -0.65 -4.99 117.46 115.65 2qcm n PHE 396 Ca 0.02 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.30 2qcm n PHE 396 Cb 0.30 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.08 2qcm n PHE 396 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2qcm s VAL 397 N -1.47 4.91 -0.98 -2.13 1.01 0.11 -1.10 120.40 120.76 2qcm s VAL 397 Ca 0.00 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.62 2qcm s VAL 397 Cb 0.00 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2qcm s VAL 397 CO 0.00 0.05 0.69 1.33 0.00 0.00 0.00 175.10 177.17 2qcm n VAL 398 N 4.70 0.00 -2.70 2.92 0.24 0.18 -4.48 118.33 119.20 2qcm n VAL 398 Ca 0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2qcm n VAL 398 Cb 0.49 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 2qcm n VAL 398 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qcm n GLY 399 N 0.65 -0.52 3.07 7.63 0.00 -1.23 -1.19 105.19 113.59 2qcm n GLY 399 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 2qcm n GLY 399 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qcm s PHE 400 N -3.29 0.65 -0.21 1.61 0.08 0.41 -1.20 117.98 116.03 2qcm s PHE 400 Ca 0.00 -0.57 -0.19 0.00 0.12 0.00 0.00 56.93 56.29 2qcm s PHE 400 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2qcm s PHE 400 CO 0.00 -0.11 0.53 0.42 -0.10 0.00 0.00 175.22 175.95 2qcm s ILE 401 N -1.76 5.09 0.25 0.64 -1.09 -0.33 -1.17 121.20 122.83 2qcm s ILE 401 Ca -0.07 0.96 -0.22 0.00 -2.23 0.00 0.00 60.65 59.09 2qcm s ILE 401 Cb -0.07 -3.85 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2qcm s ILE 401 CO -0.01 0.16 0.73 -0.94 -1.23 0.00 0.00 174.94 173.65 2qcm s SER 402 N 1.22 -0.28 0.00 3.58 1.04 -0.48 -1.08 113.70 117.69 2qcm s SER 402 Ca 0.24 -0.53 0.24 0.00 0.48 0.00 0.00 55.95 56.38 2qcm s SER 402 Cb -0.15 0.69 0.34 0.00 0.10 0.00 0.00 66.02 66.99 2qcm s SER 402 CO 0.09 -1.26 1.30 0.61 0.98 0.00 0.00 173.24 174.96 2qcm n GLY 403 N -0.45 -1.15 3.79 7.32 0.00 -1.26 -3.78 105.19 109.65 2qcm n GLY 403 Ca -0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 2qcm n GLY 403 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qcm s SER 404 N -2.97 -0.17 0.07 1.61 0.01 -1.26 -4.85 113.70 106.13 2qcm s SER 404 Ca 0.11 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 2qcm s SER 404 Cb 0.17 0.71 -0.09 0.00 0.21 0.00 0.00 66.02 67.02 2qcm s SER 404 CO 0.73 -1.34 1.88 -0.60 0.41 0.00 0.00 173.24 174.32 2qcm s ARG 405 N -3.74 4.14 -0.03 12.44 3.52 -0.22 -4.77 118.95 130.30 2qcm s ARG 405 Ca 0.14 2.57 0.05 0.00 -0.13 0.00 0.00 55.73 58.36 2qcm s ARG 405 Cb -0.05 -3.91 -0.07 0.00 -1.56 0.00 0.00 34.95 29.37 2qcm s ARG 405 CO 0.08 -0.90 0.06 1.33 -0.81 0.00 0.00 175.30 175.07 2qcm n VAL 406 N 5.20 0.16 -4.08 7.11 0.24 -1.26 -5.00 118.33 120.70 2qcm n VAL 406 Ca 0.19 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.34 61.97 2qcm n VAL 406 Cb 0.40 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.44 2qcm n VAL 406 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qcm s SER 407 N -3.09 5.93 0.00 -1.34 0.15 -1.26 -5.00 113.70 109.09 2qcm s SER 407 Ca -0.02 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.25 2qcm s SER 407 Cb 0.02 -1.83 1.19 0.00 -1.71 0.00 0.00 66.02 63.70 2qcm s SER 407 CO 0.20 0.39 1.83 0.23 1.20 0.00 0.00 173.24 177.09 2qcm n MET 408 N 1.99 0.91 -3.18 5.44 0.00 -1.26 -4.83 117.12 116.19 2qcm n MET 408 Ca -0.19 -0.37 -0.40 0.00 0.00 0.00 0.00 57.70 56.73 2qcm n MET 408 Cb 0.54 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 32.20 2qcm n MET 408 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2qcm s LYS 409 N -2.35 4.13 0.00 0.03 1.02 -1.26 -4.96 119.74 116.35 2qcm s LYS 409 Ca 0.32 0.46 0.14 0.00 0.02 0.00 0.00 55.97 56.91 2qcm s LYS 409 Cb 0.20 -3.62 0.60 0.00 -0.52 0.00 0.00 37.83 34.49 2qcm s LYS 409 CO 0.45 -0.32 1.45 -0.35 -0.92 0.00 0.00 175.35 175.66 2qcm n PRO 410 N 5.37 0.01 0.00 -1.68 -0.04 -1.26 -2.54 135.00 134.86 2qcm n PRO 410 Ca -0.03 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 2qcm n PRO 410 Cb 0.50 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.03 2qcm n PRO 410 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2qcm n GLU 411 N -1.49 0.06 -3.77 0.54 0.00 -1.26 -4.74 120.64 109.97 2qcm n GLU 411 Ca 0.03 0.05 -0.37 0.00 0.00 0.00 0.00 57.16 56.87 2qcm n GLU 411 Cb 0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.04 2qcm n GLU 411 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2qcm s PHE 412 N -2.93 3.61 0.17 -1.84 0.40 -1.05 -4.73 117.98 111.60 2qcm s PHE 412 Ca 0.15 0.62 -0.14 0.00 -0.60 0.00 0.00 56.93 56.96 2qcm s PHE 412 Cb 0.17 -2.05 -0.07 0.00 0.51 0.00 0.00 43.02 41.58 2qcm s PHE 412 CO 0.47 0.67 0.57 -0.51 0.70 0.00 0.00 175.22 177.12 2qcm s LEU 413 N -0.88 4.31 -0.21 -0.37 2.01 -0.33 -4.94 118.68 118.27 2qcm s LEU 413 Ca 0.17 1.10 -0.02 0.00 0.01 0.00 0.00 54.13 55.38 2qcm s LEU 413 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 46.19 42.69 2qcm s LEU 413 CO 0.06 0.06 -0.09 -1.00 1.01 0.00 0.00 176.35 176.39 2qcm s HIS 414 N -1.53 2.90 -0.13 0.29 3.76 -1.26 -0.45 115.29 118.87 2qcm s HIS 414 Ca 0.40 -1.16 -0.00 0.00 -0.15 0.00 0.00 55.06 54.15 2qcm s HIS 414 Cb -0.15 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2qcm s HIS 414 CO 0.19 -0.63 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.81 2qcm s LEU 415 N 1.42 2.67 -0.20 0.89 1.02 -0.32 -1.47 118.68 122.70 2qcm s LEU 415 Ca 0.06 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.87 2qcm s LEU 415 Cb -0.14 -1.60 0.04 0.00 0.02 0.00 0.00 46.19 44.51 2qcm s LEU 415 CO -0.06 0.15 -0.13 -0.89 0.02 0.00 0.00 176.35 175.44 2qcm s THR 416 N 0.41 1.79 0.78 5.49 2.01 -0.08 -1.39 115.64 124.66 2qcm s THR 416 Ca -0.11 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 2qcm s THR 416 Cb -0.16 -1.79 0.14 0.00 0.01 0.00 0.00 72.50 70.71 2qcm s THR 416 CO 0.05 0.27 1.08 -2.16 -0.69 0.00 0.00 174.62 173.17 2qcm s PRO 417 N 1.35 1.42 -0.24 4.92 0.04 -1.26 -0.62 135.00 140.60 2qcm s PRO 417 Ca 0.00 -0.90 -0.00 0.00 0.04 0.00 0.00 61.00 60.14 2qcm s PRO 417 Cb -0.15 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 2qcm s PRO 417 CO -0.09 -1.70 0.20 0.41 0.04 0.00 0.00 177.00 175.86 2qcm n GLY 418 N -3.09 0.30 3.03 0.56 0.00 -1.26 -4.82 105.19 99.91 2qcm n GLY 418 Ca 0.15 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2qcm n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qcm s VAL 419 N -3.07 1.25 0.15 1.61 1.01 -1.26 -1.09 120.40 118.99 2qcm s VAL 419 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2qcm s VAL 419 Cb -0.00 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2qcm s VAL 419 CO 0.15 0.39 0.37 0.00 0.00 0.00 0.00 175.10 176.00 2qcm s GLN 420 N 0.81 1.14 0.14 2.72 -2.07 -0.83 -4.72 119.66 116.85 2qcm s GLN 420 Ca -0.11 -0.92 -0.11 0.00 -1.82 0.00 0.00 55.36 52.40 2qcm s GLN 420 Cb -0.15 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2qcm s GLN 420 CO 0.02 -0.44 1.50 -0.07 -1.32 0.00 0.00 175.29 174.98 2qcm h LEU 421 N 2.43 1.00-10.03 2.60 3.38 -1.97 -3.25 115.31 109.46 2qcm h LEU 421 Ca -0.32 -0.44 -0.53 0.00 0.09 0.00 0.00 57.88 56.68 2qcm h LEU 421 Cb 1.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2qcm h LEU 421 CO 0.46 1.23 -0.16 -1.61 0.09 0.00 0.00 178.44 178.45 2qcm s GLU 422 N -4.50 3.69 0.58 1.13 0.41 -1.26 -4.76 118.70 113.98 2qcm s GLU 422 Ca -0.11 0.08 -0.19 0.00 -0.41 0.00 0.00 54.97 54.34 2qcm s GLU 422 Cb 0.11 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.74 2qcm s GLU 422 CO 0.87 0.29 1.19 0.00 -0.49 0.00 0.00 175.26 177.12 2qcm s ALA 423 N -1.92 2.59 0.00 5.21 0.00 -1.26 -4.87 121.76 121.50 2qcm s ALA 423 Ca 0.45 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2qcm s ALA 423 Cb -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2qcm s ALA 423 CO 0.26 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2qcm n GLY 424 N 0.42 -0.17 0.00 0.00 0.00 -1.26 -5.06 105.19 99.12 2qcm n GLY 424 Ca 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2qcm n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qcm n GLY 425 N 0.00 1.94 1.87 -0.02 0.00 -1.26 -1.63 105.19 106.10 2qcm n GLY 425 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 2qcm n GLY 425 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qcm n ASP 426 N -0.68 2.67 -0.72 1.61 5.68 -0.82 -4.96 116.55 119.33 2qcm n ASP 426 Ca 0.00 -2.13 0.06 0.00 -0.50 0.00 0.00 54.79 52.22 2qcm n ASP 426 Cb 0.00 0.17 0.17 0.00 -1.14 0.00 0.00 41.12 40.32 2qcm n ASP 426 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qcm n ASN 427 N -1.21 2.08 -2.27 -1.12 3.02 -1.26 -3.93 115.26 110.57 2qcm n ASN 427 Ca -0.10 -2.02 -0.06 0.00 -0.03 0.00 0.00 54.58 52.37 2qcm n ASN 427 Cb 0.33 -0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 2qcm n ASN 427 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qcm n LEU 428 N 0.59 2.52 0.00 3.41 4.77 -1.26 -4.99 117.00 122.04 2qcm n LEU 428 Ca 0.13 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.67 2qcm n LEU 428 Cb 0.34 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2qcm n LEU 428 CO 0.09 1.29 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2qcm n GLY 429 N -0.52 0.87 3.76 -0.72 0.00 -1.25 -4.95 105.19 102.39 2qcm n GLY 429 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2qcm n GLY 429 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qcm s GLN 430 N -0.46 4.49 -0.03 1.61 2.00 -1.26 -0.33 119.66 125.67 2qcm s GLN 430 Ca 0.00 1.77 0.04 0.00 -2.00 0.00 0.00 55.36 55.17 2qcm s GLN 430 Cb 0.00 -3.02 -0.01 0.00 0.80 0.00 0.00 33.01 30.78 2qcm s GLN 430 CO 0.00 0.09 -0.15 -0.65 -0.50 0.00 0.00 175.29 174.07 2qcm s GLN 431 N -1.73 1.40 0.01 1.67 -0.21 -1.23 -1.95 119.66 117.63 2qcm s GLN 431 Ca 0.48 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.35 2qcm s GLN 431 Cb -0.30 -1.29 -0.04 0.00 1.00 0.00 0.00 33.01 32.38 2qcm s GLN 431 CO 0.39 0.26 -0.03 0.71 -2.12 0.00 0.00 175.29 174.50 2qcm s TYR 432 N -0.12 2.98 0.16 0.91 2.02 -0.64 -4.59 117.35 118.07 2qcm s TYR 432 Ca 0.01 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.78 2qcm s TYR 432 Cb -0.08 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2qcm s TYR 432 CO 0.01 0.43 -0.11 -0.80 -1.57 0.00 0.00 175.55 173.50 2qcm s ASN 433 N -1.59 2.02 0.61 2.29 -0.87 -0.25 -4.52 114.94 112.63 2qcm s ASN 433 Ca 0.19 -1.01 -0.10 0.00 -1.57 0.00 0.00 52.86 50.37 2qcm s ASN 433 Cb -0.11 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 41.04 2qcm s ASN 433 CO 0.10 -0.28 1.00 -0.94 -2.57 0.00 0.00 177.10 174.41 2qcm s SER 434 N -3.21 6.08 0.25 -1.22 1.04 -1.23 -1.96 113.70 113.45 2qcm s SER 434 Ca 0.18 1.28 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 2qcm s SER 434 Cb 0.02 -2.32 0.43 0.00 0.10 0.00 0.00 66.02 64.24 2qcm s SER 434 CO 0.02 -0.92 1.80 -0.65 0.98 0.00 0.00 173.24 174.48 2qcm h PRO 435 N -0.30 0.74 -0.90 4.02 0.11 -1.93 -0.91 132.00 132.83 2qcm h PRO 435 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2qcm h PRO 435 Cb 1.21 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 2qcm h PRO 435 CO 0.62 0.49 0.51 0.37 -0.21 0.00 0.00 178.00 179.78 2qcm h GLN 436 N 0.76 1.25 0.04 1.05 4.15 -1.94 -0.08 115.11 120.35 2qcm h GLN 436 Ca 0.41 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 2qcm h GLN 436 Cb 0.42 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2qcm h GLN 436 CO -0.27 0.91 -0.02 1.49 -1.93 0.00 0.00 178.83 179.01 2qcm h GLU 437 N 1.26 -0.06 0.12 1.69 4.57 -1.74 0.08 114.58 120.50 2qcm h GLU 437 Ca 0.32 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.23 2qcm h GLU 437 Cb 0.01 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2qcm h GLU 437 CO -0.05 0.18 -1.22 -0.39 -1.18 0.00 0.00 179.01 176.35 2qcm h VAL 438 N -0.28 1.42 0.03 0.32 -1.51 -0.91 -0.00 116.25 115.31 2qcm h VAL 438 Ca -0.01 -2.80 -0.15 0.00 -1.23 0.00 0.00 66.70 62.52 2qcm h VAL 438 Cb 0.26 2.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 2qcm h VAL 438 CO 0.01 0.83 -0.77 0.40 -1.23 0.00 0.00 177.57 176.81 2qcm h ILE 439 N 0.14 1.31 0.40 7.19 1.08 -1.13 -1.56 117.51 124.95 2qcm h ILE 439 Ca -0.15 -2.30 -0.02 0.00 -0.39 0.00 0.00 64.86 62.00 2qcm h ILE 439 Cb 1.91 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 38.48 2qcm h ILE 439 CO 0.21 0.52 -0.19 1.23 -0.69 0.00 0.00 178.15 179.23 2qcm h GLY 440 N -0.78 -0.56 1.19 5.37 0.00 -1.07 -2.98 103.07 104.24 2qcm h GLY 440 Ca -0.19 0.21 -0.33 0.00 0.00 0.00 0.00 47.33 47.01 2qcm h GLY 440 CO -0.06 -0.20 -1.55 0.50 0.00 0.00 0.00 176.54 175.22 2qcm h LYS 441 N -1.12 0.45 -0.01 4.80 1.79 -0.87 -3.36 116.57 118.25 2qcm h LYS 441 Ca -0.05 -0.77 0.00 0.00 -2.18 0.00 0.00 60.65 57.64 2qcm h LYS 441 Cb 0.41 0.29 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2qcm h LYS 441 CO 0.09 1.36 -0.51 0.54 -1.08 0.00 0.00 179.45 179.85 2qcm n ARG 442 N -3.64 0.51 -1.03 3.15 1.74 -0.09 -4.97 116.66 112.33 2qcm n ARG 442 Ca -0.18 -0.36 -0.01 0.00 -0.77 0.00 0.00 57.85 56.53 2qcm n ARG 442 Cb 1.09 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2qcm n ARG 442 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qcm n GLY 443 N 1.43 0.48 3.76 -0.13 0.00 -1.02 -1.05 105.19 108.65 2qcm n GLY 443 Ca 0.08 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2qcm n GLY 443 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qcm s SER 444 N -2.77 3.88 -0.24 1.61 0.01 -0.62 -4.13 113.70 111.44 2qcm s SER 444 Ca 0.00 1.32 -0.03 0.00 1.31 0.00 0.00 55.95 58.54 2qcm s SER 444 Cb 0.00 -2.01 -0.18 0.00 0.21 0.00 0.00 66.02 64.05 2qcm s SER 444 CO 0.00 -2.36 -0.14 0.47 0.41 0.00 0.00 173.24 171.62 2qcm n ASP 445 N -3.68 1.99 -4.00 2.44 8.00 -0.54 -4.52 116.55 116.24 2qcm n ASP 445 Ca 0.07 0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.41 2qcm n ASP 445 Cb 0.56 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 2qcm n ASP 445 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qcm s ILE 446 N -2.52 0.66 -0.09 0.53 1.01 -0.67 -4.83 121.20 115.30 2qcm s ILE 446 Ca -0.33 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 2qcm s ILE 446 Cb 0.10 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 2qcm s ILE 446 CO 0.61 0.20 0.25 0.27 0.00 0.00 0.00 174.94 176.27 2qcm s ILE 447 N -0.01 5.31 -0.25 2.92 -4.36 -0.72 -0.90 121.20 123.20 2qcm s ILE 447 Ca 0.00 0.47 -0.08 0.00 -0.26 0.00 0.00 60.65 60.79 2qcm s ILE 447 Cb -0.05 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.08 2qcm s ILE 447 CO -0.00 0.56 0.09 -0.63 0.24 0.00 0.00 174.94 175.20 2qcm s ILE 448 N -0.72 4.56 -0.08 8.37 1.01 0.21 -0.27 121.20 134.27 2qcm s ILE 448 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 2qcm s ILE 448 Cb -0.14 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.23 2qcm s ILE 448 CO 0.07 0.34 -0.05 -0.69 0.00 0.00 0.00 174.94 174.60 2qcm s VAL 449 N 1.46 0.75 0.00 2.92 1.01 -0.67 -4.12 120.40 121.75 2qcm s VAL 449 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2qcm s VAL 449 Cb -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2qcm s VAL 449 CO 0.05 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2qcm n GLY 450 N 4.66 0.16 0.36 4.51 0.00 -1.26 -0.64 105.19 112.98 2qcm n GLY 450 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2qcm n GLY 450 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qcm h ARG 451 N 0.00 0.38 -0.88 1.61 3.08 -1.93 0.99 114.38 117.63 2qcm h ARG 451 Ca 0.00 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.25 2qcm h ARG 451 Cb 0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 2qcm h ARG 451 CO 0.00 0.25 0.60 0.78 -1.07 0.00 0.00 179.97 180.54 2qcm h GLY 452 N 0.40 0.51 0.00 0.04 0.00 -1.89 -1.61 103.07 100.51 2qcm h GLY 452 Ca 0.29 -0.11 -0.34 0.00 0.00 0.00 0.00 47.33 47.17 2qcm h GLY 452 CO -0.08 -0.01 -2.03 1.39 0.00 0.00 0.00 176.54 175.81 2qcm n ILE 453 N -4.42 1.52 0.07 2.60 5.41 -0.08 -4.47 119.36 120.00 2qcm n ILE 453 Ca 0.19 -0.22 0.01 0.00 1.00 0.00 0.00 62.75 63.72 2qcm n ILE 453 Cb 0.80 -2.00 0.33 0.00 -0.71 0.00 0.00 39.64 38.05 2qcm n ILE 453 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qcm h ILE 454 N -1.00 1.21 0.00 1.39 1.08 -0.81 -1.87 117.51 117.50 2qcm h ILE 454 Ca -0.51 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 2qcm h ILE 454 Cb 1.43 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2qcm h ILE 454 CO -0.31 0.29 -0.27 -1.20 -0.69 0.00 0.00 178.15 175.98 2qcm n SER 455 N -4.23 0.33 -4.77 1.72 7.64 -0.61 -4.88 113.62 108.82 2qcm n SER 455 Ca -0.00 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.70 2qcm n SER 455 Cb 0.30 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 2qcm n SER 455 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qcm s ALA 456 N -3.02 2.55 0.02 -0.43 0.00 -0.70 -4.99 121.76 115.18 2qcm s ALA 456 Ca 0.12 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 2qcm s ALA 456 Cb 0.17 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 2qcm s ALA 456 CO 0.62 -1.10 1.24 0.00 0.00 0.00 0.00 175.76 176.52 2qcm h ALA 457 N 0.44 -0.68 -2.15 0.00 0.00 -1.90 -3.37 119.26 111.60 2qcm h ALA 457 Ca -0.48 -0.19 -0.73 0.00 0.00 0.00 0.00 54.91 53.51 2qcm h ALA 457 Cb 1.25 0.26 -0.21 0.00 0.00 0.00 0.00 17.79 19.09 2qcm h ALA 457 CO 0.55 -0.75 0.23 0.34 0.00 0.00 0.00 179.25 179.62 2qcm s ASP 458 N -4.75 6.42 0.45 0.00 -1.08 -1.26 -4.90 116.67 111.55 2qcm s ASP 458 Ca -0.15 -1.89 0.24 0.00 -0.52 0.00 0.00 52.55 50.23 2qcm s ASP 458 Cb 0.02 -2.29 1.00 0.00 -1.46 0.00 0.00 42.92 40.19 2qcm s ASP 458 CO 0.51 -0.95 1.86 0.03 0.52 0.00 0.00 175.17 177.14 2qcm h ARG 459 N 8.75 0.00 -0.02 4.34 -0.00 -1.81 -1.61 114.38 124.03 2qcm h ARG 459 Ca -0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.37 2qcm h ARG 459 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.03 2qcm h ARG 459 CO 1.01 0.22 -0.01 1.25 0.00 0.00 0.00 179.97 182.44 2qcm h LEU 460 N 0.00 0.04 -0.88 3.04 5.85 -1.93 -1.26 115.31 120.17 2qcm h LEU 460 Ca -0.00 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2qcm h LEU 460 Cb 0.69 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2qcm h LEU 460 CO 0.03 0.49 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.53 2qcm h GLU 461 N -0.41 0.82 -0.41 1.25 4.57 -1.97 -0.15 114.58 118.30 2qcm h GLU 461 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2qcm h GLU 461 Cb 0.47 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2qcm h GLU 461 CO 0.00 0.83 0.27 0.00 -1.18 0.00 0.00 179.01 178.94 2qcm h ALA 462 N 1.22 0.52 -0.85 2.92 0.00 -1.24 -0.11 119.26 121.73 2qcm h ALA 462 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qcm h ALA 462 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2qcm h ALA 462 CO 0.02 -0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.78 2qcm h ALA 463 N 1.15 1.07 -0.70 0.00 0.00 -0.72 -1.12 119.26 118.94 2qcm h ALA 463 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2qcm h ALA 463 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2qcm h ALA 463 CO -0.03 0.51 0.18 0.93 0.00 0.00 0.00 179.25 180.84 2qcm h GLU 464 N 1.15 1.11 -0.41 0.00 4.39 -0.43 0.23 114.58 120.63 2qcm h GLU 464 Ca 0.31 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2qcm h GLU 464 Cb -0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 2qcm h GLU 464 CO -0.06 0.97 0.25 0.52 -1.16 0.00 0.00 179.01 179.53 2qcm h MET 465 N 1.06 0.56 -0.54 2.33 2.86 -0.35 -0.20 114.93 120.64 2qcm h MET 465 Ca 0.22 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 2qcm h MET 465 Cb 0.36 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2qcm h MET 465 CO 0.00 0.41 -0.08 1.88 1.06 0.00 0.00 176.91 180.18 2qcm h TYR 466 N 0.54 1.10 0.28 -0.22 0.05 -0.76 -1.77 116.97 116.19 2qcm h TYR 466 Ca 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2qcm h TYR 466 Cb -0.01 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 2qcm h TYR 466 CO -0.04 1.01 -0.17 -0.09 -1.05 0.00 0.00 178.16 177.82 2qcm h ARG 467 N 0.89 -0.41 -0.67 4.88 2.43 -0.32 -0.99 114.38 120.19 2qcm h ARG 467 Ca 0.15 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2qcm h ARG 467 Cb 0.63 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2qcm h ARG 467 CO 0.04 -0.28 0.28 0.87 -1.51 0.00 0.00 179.97 179.37 2qcm h LYS 468 N -0.43 0.97 0.10 0.20 1.57 -0.99 0.12 116.57 118.10 2qcm h LYS 468 Ca -0.03 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2qcm h LYS 468 Cb 0.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qcm h LYS 468 CO 0.03 0.78 -0.05 0.00 -0.57 0.00 0.00 179.45 179.65 2qcm h ALA 469 N 1.35 -0.13 -0.36 3.86 0.00 -1.16 -1.86 119.26 120.96 2qcm h ALA 469 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2qcm h ALA 469 Cb 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qcm h ALA 469 CO -0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 179.25 178.51 2qcm h ALA 470 N 0.69 1.02 -0.18 0.00 0.00 -0.95 -2.07 119.26 117.78 2qcm h ALA 470 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2qcm h ALA 470 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qcm h ALA 470 CO 0.02 0.58 -0.22 2.35 0.00 0.00 0.00 179.25 181.99 2qcm h TRP 471 N 0.59 0.56 -0.20 0.00 2.91 -0.93 -2.07 115.95 116.81 2qcm h TRP 471 Ca 0.09 -0.18 -0.10 0.00 1.13 0.00 0.00 58.89 59.83 2qcm h TRP 471 Cb 0.63 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 2qcm h TRP 471 CO 0.03 0.85 -0.31 1.49 -1.03 0.00 0.00 178.44 179.47 2qcm h GLU 472 N 0.11 0.39 -0.76 2.65 4.57 -1.32 -0.72 114.58 119.50 2qcm h GLU 472 Ca 0.02 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 2qcm h GLU 472 Cb 0.78 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 2qcm h GLU 472 CO 0.05 0.67 0.27 0.00 -1.18 0.00 0.00 179.01 178.82 2qcm h ALA 473 N 1.33 0.99 0.16 2.92 0.00 -1.28 -0.51 119.26 122.86 2qcm h ALA 473 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qcm h ALA 473 Cb 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qcm h ALA 473 CO 0.06 0.65 -0.07 -0.92 0.00 0.00 0.00 179.25 178.96 2qcm h TYR 474 N 1.12 -0.19 -0.79 0.00 3.20 -0.93 -2.26 116.97 117.12 2qcm h TYR 474 Ca 0.25 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.14 2qcm h TYR 474 Cb 0.27 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 2qcm h TYR 474 CO 0.02 -0.03 0.50 -0.07 -1.64 0.00 0.00 178.16 176.94 2qcm h LEU 475 N -0.32 0.84 -0.74 2.82 3.38 -0.86 -0.79 115.31 119.65 2qcm h LEU 475 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2qcm h LEU 475 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2qcm h LEU 475 CO 0.04 0.58 0.19 0.77 0.09 0.00 0.00 178.44 180.11 2qcm h SER 476 N 0.99 1.08 0.10 -0.43 4.64 -1.05 -0.33 113.55 118.54 2qcm h SER 476 Ca 0.31 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2qcm h SER 476 Cb -0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 2qcm h SER 476 CO -0.10 1.02 -0.34 -0.09 -0.87 0.00 0.00 176.83 176.45 2qcm h ARG 477 N 1.09 0.35 -0.05 4.77 2.43 -0.98 -2.50 114.38 119.48 2qcm h ARG 477 Ca 0.23 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2qcm h ARG 477 Cb 0.35 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2qcm h ARG 477 CO -0.00 0.65 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.53 2qcm h LEU 478 N 0.30 0.14 0.00 3.80 3.38 -0.49 -3.51 115.31 118.93 2qcm h LEU 478 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qcm h LEU 478 Cb 0.74 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2qcm h LEU 478 CO 0.06 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.82