#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r54 s ALA 205 N 0.00 0.17 -0.15 0.62 0.00 -1.26 -5.15 121.76 116.00 1r54 s ALA 205 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1r54 s ALA 205 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 1r54 s ALA 205 CO 0.00 -0.40 0.24 1.03 0.00 0.00 0.00 175.76 176.64 1r54 s ARG 206 N -3.58 4.10 0.13 0.00 1.81 -1.26 -5.08 118.95 115.08 1r54 s ARG 206 Ca 0.03 0.01 -0.23 0.00 -1.72 0.00 0.00 55.73 53.83 1r54 s ARG 206 Cb 0.05 -3.38 -0.07 0.00 -0.45 0.00 0.00 34.95 31.10 1r54 s ARG 206 CO -0.09 0.36 0.69 1.03 -0.68 0.00 0.00 175.30 176.61 1r54 s ARG 207 N 0.12 4.41 -0.01 3.54 3.00 -1.26 -5.01 118.95 123.73 1r54 s ARG 207 Ca 0.15 0.98 -0.30 0.00 0.00 0.00 0.00 55.73 56.55 1r54 s ARG 207 Cb -0.13 -3.24 -0.05 0.00 0.00 0.00 0.00 34.95 31.53 1r54 s ARG 207 CO 0.03 0.59 1.46 0.95 0.00 0.00 0.00 175.30 178.34 1r54 s THR 208 N -1.15 3.65 0.63 0.02 -4.23 -1.26 -4.99 115.64 108.32 1r54 s THR 208 Ca 0.33 0.99 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1r54 s THR 208 Cb -0.21 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 1r54 s THR 208 CO 0.23 -0.02 1.08 -0.60 -0.54 0.00 0.00 174.62 174.76 1r54 s ARG 209 N 2.81 3.05 0.17 3.99 6.06 -1.26 -5.04 118.95 128.71 1r54 s ARG 209 Ca 0.66 1.25 0.11 0.00 -2.50 0.00 0.00 55.73 55.24 1r54 s ARG 209 Cb -0.32 -1.99 -0.04 0.00 0.06 0.00 0.00 34.95 32.66 1r54 s ARG 209 CO 0.27 -1.04 -0.23 0.15 -2.50 0.00 0.00 175.30 171.95 1r54 s LYS 210 N -4.21 1.54 -0.06 5.12 -0.14 -0.90 -4.98 119.74 116.11 1r54 s LYS 210 Ca 0.64 -1.42 0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1r54 s LYS 210 Cb -0.17 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.08 1r54 s LYS 210 CO 0.41 0.42 -0.12 0.71 -0.76 0.00 0.00 175.35 176.02 1r54 s TYR 211 N -1.44 1.43 -0.38 3.18 1.51 -0.54 -0.70 117.35 120.42 1r54 s TYR 211 Ca 0.19 -0.52 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 1r54 s TYR 211 Cb -0.09 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1r54 s TYR 211 CO 0.09 -0.27 0.21 -1.17 -1.11 0.00 0.00 175.55 173.29 1r54 s LEU 212 N 0.67 4.75 -0.53 -1.29 2.96 -0.22 -4.40 118.68 120.61 1r54 s LEU 212 Ca -0.15 -1.07 -0.28 0.00 -0.22 0.00 0.00 54.13 52.41 1r54 s LEU 212 Cb -0.16 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1r54 s LEU 212 CO 0.04 -0.40 1.13 -1.61 -1.32 0.00 0.00 176.35 174.18 1r54 s GLU 213 N 1.53 3.57 -0.14 1.98 2.02 -1.26 -1.04 118.70 125.35 1r54 s GLU 213 Ca 0.02 0.30 -0.05 0.00 0.02 0.00 0.00 54.97 55.26 1r54 s GLU 213 Cb -0.20 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1r54 s GLU 213 CO 0.06 -1.52 0.04 -1.17 0.02 0.00 0.00 175.26 172.68 1r54 s LEU 214 N 4.59 3.74 -0.19 1.80 2.96 0.21 -0.18 118.68 131.62 1r54 s LEU 214 Ca 0.43 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1r54 s LEU 214 Cb -0.08 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1r54 s LEU 214 CO 0.27 0.27 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.97 1r54 s TYR 215 N -0.23 2.85 -0.06 5.38 5.04 -0.57 -0.25 117.35 129.52 1r54 s TYR 215 Ca 0.07 -1.28 0.04 0.00 -2.44 0.00 0.00 57.07 53.45 1r54 s TYR 215 Cb -0.12 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1r54 s TYR 215 CO 0.02 -0.66 -0.16 -1.50 -1.34 0.00 0.00 175.55 171.91 1r54 s ILE 216 N 1.31 2.89 -0.04 3.14 2.07 -0.60 -0.65 121.20 129.33 1r54 s ILE 216 Ca 0.04 -0.78 0.05 0.00 -1.41 0.00 0.00 60.65 58.56 1r54 s ILE 216 Cb -0.14 -2.13 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 1r54 s ILE 216 CO -0.07 0.58 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.64 1r54 s VAL 217 N -0.51 1.65 -0.21 4.00 1.01 0.04 -1.78 120.40 124.60 1r54 s VAL 217 Ca 0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1r54 s VAL 217 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1r54 s VAL 217 CO 0.01 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.61 1r54 s ALA 218 N -0.18 3.11 1.01 5.51 0.00 -0.19 -0.07 121.76 130.96 1r54 s ALA 218 Ca -0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1r54 s ALA 218 Cb -0.11 -1.85 0.21 0.00 0.00 0.00 0.00 23.12 21.37 1r54 s ALA 218 CO 0.02 -0.16 1.21 0.16 0.00 0.00 0.00 175.76 176.99 1r54 s ASP 219 N 1.01 2.63 0.23 0.00 -4.77 -0.95 -1.47 116.67 113.35 1r54 s ASP 219 Ca 0.02 0.55 -0.07 0.00 -3.30 0.00 0.00 52.55 49.76 1r54 s ASP 219 Cb -0.14 -0.79 0.21 0.00 -1.09 0.00 0.00 42.92 41.11 1r54 s ASP 219 CO 0.02 -3.06 1.84 -0.74 0.70 0.00 0.00 175.17 173.94 1r54 h HIS 220 N -1.85 1.22 -0.74 2.11 -0.00 -1.88 -2.39 115.15 111.62 1r54 h HIS 220 Ca -0.46 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 59.84 1r54 h HIS 220 Cb 1.28 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.27 1r54 h HIS 220 CO -1.05 0.86 0.35 1.15 -0.00 0.00 0.00 177.93 179.24 1r54 h THR 221 N 1.23 1.23 -0.59 6.26 2.02 -1.93 0.85 112.91 121.98 1r54 h THR 221 Ca 0.30 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1r54 h THR 221 Cb 0.07 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1r54 h THR 221 CO -0.04 0.28 -0.01 0.25 0.37 0.00 0.00 175.52 176.37 1r54 h LEU 222 N 1.05 1.02 -0.51 2.58 5.85 -1.80 0.49 115.31 123.99 1r54 h LEU 222 Ca 0.25 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1r54 h LEU 222 Cb 0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1r54 h LEU 222 CO -0.03 1.08 0.32 0.15 -0.34 0.00 0.00 178.44 179.62 1r54 h PHE 223 N 0.95 0.66 -0.60 1.25 3.57 -0.86 -1.00 116.94 120.92 1r54 h PHE 223 Ca 0.17 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1r54 h PHE 223 Cb 0.56 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1r54 h PHE 223 CO 0.04 0.44 0.14 -0.07 -2.23 0.00 0.00 178.31 176.63 1r54 h LEU 224 N 0.68 0.88 -1.14 0.59 3.38 -0.47 -0.52 115.31 118.71 1r54 h LEU 224 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1r54 h LEU 224 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1r54 h LEU 224 CO -0.04 0.85 0.33 0.71 0.09 0.00 0.00 178.44 180.39 1r54 h THR 225 N 0.90 1.21 -0.37 0.22 1.35 -0.31 -2.05 112.91 113.85 1r54 h THR 225 Ca 0.19 -0.57 -0.22 0.00 -0.55 0.00 0.00 66.41 65.26 1r54 h THR 225 Cb 0.32 0.35 -0.11 0.00 -1.73 0.00 0.00 68.15 66.98 1r54 h THR 225 CO -0.00 0.24 0.28 0.54 -0.25 0.00 0.00 175.52 176.33 1r54 n ARG 226 N -4.35 1.53 -4.12 4.72 5.12 -0.43 -4.84 116.66 114.28 1r54 n ARG 226 Ca 0.06 -1.16 -0.34 0.00 -1.93 0.00 0.00 57.85 54.48 1r54 n ARG 226 Cb 0.12 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.96 1r54 n ARG 226 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1r54 n HIS 227 N 0.19 -1.93 -2.87 -1.55 8.25 -0.77 -1.23 115.22 115.31 1r54 n HIS 227 Ca 0.23 0.84 -0.19 0.00 -0.26 0.00 0.00 57.72 58.34 1r54 n HIS 227 Cb 0.78 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 28.59 1r54 n HIS 227 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r54 n ARG 228 N -4.49 -3.11 -3.31 -0.41 1.74 -0.26 -4.92 116.66 101.90 1r54 n ARG 228 Ca 0.06 0.64 -0.44 0.00 -0.77 0.00 0.00 57.85 57.34 1r54 n ARG 228 Cb 0.50 -5.33 -0.07 0.00 -1.02 0.00 0.00 32.46 26.54 1r54 n ARG 228 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1r54 s ASN 229 N -2.40 6.17 0.09 0.55 3.84 -0.36 -4.95 114.94 117.88 1r54 s ASN 229 Ca 0.20 -1.21 -0.25 0.00 0.21 0.00 0.00 52.86 51.81 1r54 s ASN 229 Cb -0.10 -2.22 -0.13 0.00 -0.55 0.00 0.00 41.25 38.25 1r54 s ASN 229 CO 0.24 -0.74 1.70 0.25 -2.79 0.00 0.00 177.10 175.77 1r54 h LEU 230 N 9.08 -0.26 -0.49 3.21 5.85 -1.91 -0.79 115.31 129.99 1r54 h LEU 230 Ca -0.28 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1r54 h LEU 230 Cb 1.10 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1r54 h LEU 230 CO 0.91 -0.16 0.17 -0.61 -0.34 0.00 0.00 178.44 178.41 1r54 h GLN 231 N -0.23 0.33 0.00 1.25 5.75 -1.98 -0.57 115.11 119.65 1r54 h GLN 231 Ca 0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1r54 h GLN 231 Cb 0.22 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1r54 h GLN 231 CO -0.02 0.22 -0.20 0.45 -2.65 0.00 0.00 178.83 176.63 1r54 h HIS 232 N 0.34 0.00 -0.10 3.99 3.86 -1.90 -1.15 115.15 120.19 1r54 h HIS 232 Ca 0.23 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.25 1r54 h HIS 232 Cb 0.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.73 1r54 h HIS 232 CO -0.16 0.20 -0.68 1.15 0.86 0.00 0.00 177.93 179.29 1r54 h THR 233 N 0.00 1.33 -0.54 2.45 2.02 -0.37 -2.25 112.91 115.55 1r54 h THR 233 Ca -0.00 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 65.15 1r54 h THR 233 Cb 0.84 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1r54 h THR 233 CO 0.03 0.60 0.03 0.11 0.37 0.00 0.00 175.52 176.66 1r54 h LYS 234 N 0.30 0.89 -0.74 6.66 1.57 -0.98 -2.16 116.57 122.11 1r54 h LYS 234 Ca -0.06 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1r54 h LYS 234 Cb 1.33 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1r54 h LYS 234 CO 0.14 0.87 0.33 0.37 -0.57 0.00 0.00 179.45 180.59 1r54 h GLN 235 N 0.84 1.08 -0.46 3.15 5.75 -1.15 -1.12 115.11 123.19 1r54 h GLN 235 Ca 0.16 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1r54 h GLN 235 Cb 0.45 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1r54 h GLN 235 CO 0.02 0.85 0.14 -0.09 -2.65 0.00 0.00 178.83 177.10 1r54 h ARG 236 N 1.06 0.71 -0.86 1.69 9.65 -0.93 -0.91 114.38 124.79 1r54 h ARG 236 Ca 0.25 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1r54 h ARG 236 Cb 0.15 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 1r54 h ARG 236 CO -0.03 0.68 0.45 -0.07 2.80 0.00 0.00 179.97 183.81 1r54 h LEU 237 N 0.60 1.09 -0.62 3.80 3.38 -1.00 -0.42 115.31 122.15 1r54 h LEU 237 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1r54 h LEU 237 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1r54 h LEU 237 CO -0.00 0.89 -0.00 -0.07 0.09 0.00 0.00 178.44 179.34 1r54 h LEU 238 N 1.21 1.06 -0.51 1.67 3.38 -0.93 -0.05 115.31 121.14 1r54 h LEU 238 Ca 0.30 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1r54 h LEU 238 Cb 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1r54 h LEU 238 CO -0.04 1.11 -0.38 -0.33 0.09 0.00 0.00 178.44 178.89 1r54 h GLU 239 N 0.99 0.80 -0.46 1.13 5.08 -0.81 -0.28 114.58 121.03 1r54 h GLU 239 Ca 0.17 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1r54 h GLU 239 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1r54 h GLU 239 CO 0.03 1.04 0.04 0.28 -1.00 0.00 0.00 179.01 179.40 1r54 h VAL 240 N 0.66 1.25 -0.73 3.13 2.07 -0.93 -2.36 116.25 119.35 1r54 h VAL 240 Ca 0.06 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1r54 h VAL 240 Cb 0.93 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1r54 h VAL 240 CO 0.09 0.34 0.40 0.00 0.02 0.00 0.00 177.57 178.42 1r54 h ALA 241 N 0.93 1.34 -0.54 1.67 0.00 -0.78 -1.16 119.26 120.72 1r54 h ALA 241 Ca 0.13 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1r54 h ALA 241 Cb 0.44 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1r54 h ALA 241 CO 0.02 0.54 0.29 -0.97 0.00 0.00 0.00 179.25 179.12 1r54 h ASN 242 N 1.01 0.42 0.28 0.00 -0.00 -0.64 0.75 115.58 117.41 1r54 h ASN 242 Ca 0.26 0.03 -0.13 0.00 -0.00 0.00 0.00 56.30 56.45 1r54 h ASN 242 Cb 0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 1r54 h ASN 242 CO -0.04 0.29 -0.53 1.88 -0.00 0.00 0.00 177.43 179.02 1r54 h TYR 243 N 0.55 0.34 -0.74 0.67 0.05 -0.92 -1.62 116.97 115.29 1r54 h TYR 243 Ca 0.24 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 1r54 h TYR 243 Cb 0.13 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1r54 h TYR 243 CO -0.09 0.75 0.23 0.28 -1.05 0.00 0.00 178.16 178.28 1r54 h VAL 244 N 0.21 1.26 -0.34 -2.88 2.07 -0.46 -1.29 116.25 114.83 1r54 h VAL 244 Ca 0.00 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1r54 h VAL 244 Cb 1.01 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1r54 h VAL 244 CO 0.08 0.36 0.18 -0.78 0.02 0.00 0.00 177.57 177.43 1r54 h ASP 245 N 1.11 0.44 -0.18 0.57 3.58 -0.53 -0.26 116.42 121.15 1r54 h ASP 245 Ca 0.24 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1r54 h ASP 245 Cb 0.31 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1r54 h ASP 245 CO -0.01 0.42 -0.03 1.56 -2.88 0.00 0.00 179.24 178.30 1r54 h GLN 246 N 0.42 0.02 -0.14 0.28 4.20 -0.92 -1.26 115.11 117.72 1r54 h GLN 246 Ca 0.12 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1r54 h GLN 246 Cb 0.09 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1r54 h GLN 246 CO -0.02 0.01 0.07 -0.07 -0.67 0.00 0.00 178.83 178.16 1r54 h LEU 247 N 0.02 0.18 -1.80 1.46 4.07 -1.05 -2.94 115.31 115.24 1r54 h LEU 247 Ca 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1r54 h LEU 247 Cb 0.12 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1r54 h LEU 247 CO -0.17 0.23 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.20 1r54 h LEU 248 N 0.11 0.00 -2.20 1.67 3.38 -0.88 -2.37 115.31 115.02 1r54 h LEU 248 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1r54 h LEU 248 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1r54 h LEU 248 CO -0.01 0.15 -0.06 0.03 0.09 0.00 0.00 178.44 178.64 1r54 h ARG 249 N 0.00 0.00 0.00 1.13 3.08 -0.79 0.35 114.38 118.16 1r54 h ARG 249 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r54 h ARG 249 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1r54 h ARG 249 CO 0.02 0.06 0.00 0.25 -1.07 0.00 0.00 179.97 179.23 1r54 n THR 250 N -3.78 0.32 0.08 2.04 -2.24 -0.89 -0.67 114.28 109.15 1r54 n THR 250 Ca -0.02 0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1r54 n THR 250 Cb 0.15 -0.77 0.12 0.00 -2.10 0.00 0.00 70.33 67.74 1r54 n THR 250 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r54 n LEU 251 N -1.21 2.63 -0.91 3.22 4.77 0.12 -4.75 117.00 120.86 1r54 n LEU 251 Ca 0.10 -1.60 -0.10 0.00 -0.03 0.00 0.00 56.01 54.38 1r54 n LEU 251 Cb 0.13 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1r54 n LEU 251 CO 0.14 0.61 -0.11 0.47 -1.33 0.00 0.00 177.39 177.16 1r54 n ASP 252 N 0.65 -3.84 -4.37 -1.43 9.92 0.16 -4.98 116.55 112.65 1r54 n ASP 252 Ca 0.11 0.14 -0.33 0.00 -0.53 0.00 0.00 54.79 54.17 1r54 n ASP 252 Cb 0.39 -2.58 -0.14 0.00 -0.64 0.00 0.00 41.12 38.15 1r54 n ASP 252 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1r54 s ILE 253 N -2.42 3.16 -0.12 0.53 1.01 -0.92 -2.12 121.20 120.32 1r54 s ILE 253 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1r54 s ILE 253 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1r54 s ILE 253 CO 0.00 0.51 -0.03 -1.58 0.00 0.00 0.00 174.94 173.84 1r54 s GLN 254 N 0.49 3.35 0.04 2.79 0.74 0.13 -2.28 119.66 124.93 1r54 s GLN 254 Ca -0.08 -0.49 -0.26 0.00 0.05 0.00 0.00 55.36 54.58 1r54 s GLN 254 Cb -0.15 -2.84 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1r54 s GLN 254 CO 0.04 0.43 0.79 0.08 -0.55 0.00 0.00 175.29 176.08 1r54 s VAL 255 N -0.15 4.74 -0.27 1.34 1.01 -1.26 -1.05 120.40 124.76 1r54 s VAL 255 Ca 0.03 1.68 0.03 0.00 0.00 0.00 0.00 61.98 63.73 1r54 s VAL 255 Cb -0.13 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.18 1r54 s VAL 255 CO 0.02 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 1r54 s ALA 256 N 0.08 2.56 -0.62 5.51 0.00 -0.21 -4.92 121.76 124.16 1r54 s ALA 256 Ca 0.40 -1.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.25 1r54 s ALA 256 Cb -0.21 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.29 1r54 s ALA 256 CO 0.24 -1.27 1.51 -1.17 0.00 0.00 0.00 175.76 175.07 1r54 s LEU 257 N 1.10 3.30 0.02 0.00 2.96 -1.26 -0.61 118.68 124.19 1r54 s LEU 257 Ca -0.06 0.12 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 1r54 s LEU 257 Cb -0.20 -2.78 -0.16 0.00 0.50 0.00 0.00 46.19 43.56 1r54 s LEU 257 CO -0.06 -1.94 1.31 0.74 -1.32 0.00 0.00 176.35 175.08 1r54 h THR 258 N 6.43 1.37 -3.05 3.68 2.02 -0.95 -3.47 112.91 118.94 1r54 h THR 258 Ca -0.27 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 1r54 h THR 258 Cb 1.10 1.99 -0.12 0.00 -1.74 0.00 0.00 68.15 69.38 1r54 h THR 258 CO 1.21 0.39 0.18 -0.83 0.37 0.00 0.00 175.52 176.84 1r54 s GLY 259 N -3.45 -0.55 0.02 2.16 0.00 -1.21 -5.02 107.32 99.28 1r54 s GLY 259 Ca -0.14 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.01 1r54 s GLY 259 CO 0.74 0.09 -0.15 1.08 0.00 0.00 0.00 173.10 174.86 1r54 s LEU 260 N -2.77 2.12 -0.15 0.66 1.43 -1.26 -1.56 118.68 117.15 1r54 s LEU 260 Ca 0.02 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1r54 s LEU 260 Cb -0.01 -0.71 0.05 0.00 0.03 0.00 0.00 46.19 45.55 1r54 s LEU 260 CO -0.12 0.11 0.38 -0.70 0.23 0.00 0.00 176.35 176.25 1r54 s GLU 261 N -0.85 0.40 -0.12 1.70 2.12 -0.73 -4.98 118.70 116.24 1r54 s GLU 261 Ca 0.04 0.62 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1r54 s GLU 261 Cb -0.07 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.43 1r54 s GLU 261 CO 0.01 -0.10 -0.20 0.08 -0.54 0.00 0.00 175.26 174.51 1r54 s VAL 262 N 0.73 1.84 -1.28 3.70 1.01 -1.26 -1.02 120.40 124.12 1r54 s VAL 262 Ca -0.04 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1r54 s VAL 262 Cb -0.05 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 34.80 1r54 s VAL 262 CO -0.05 0.51 1.69 0.79 0.00 0.00 0.00 175.10 178.04 1r54 n TRP 263 N 4.01 4.48 0.13 5.22 8.01 -0.54 -4.82 117.44 133.92 1r54 n TRP 263 Ca -0.20 -3.05 0.04 0.00 -1.31 0.00 0.00 57.50 52.99 1r54 n TRP 263 Cb 0.52 -2.38 0.47 0.00 -2.01 0.00 0.00 31.31 27.90 1r54 n TRP 263 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1r54 h THR 264 N 4.85 1.11 0.00 -0.99 1.35 -1.90 -3.28 112.91 114.05 1r54 h THR 264 Ca 0.41 -0.42 -0.14 0.00 -0.55 0.00 0.00 66.41 65.71 1r54 h THR 264 Cb 0.82 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1r54 h THR 264 CO 1.44 0.14 -1.54 -1.84 -0.25 0.00 0.00 175.52 173.48 1r54 n GLU 265 N -4.40 1.09 -3.72 4.72 0.28 -1.26 -5.02 120.64 112.33 1r54 n GLU 265 Ca -0.00 0.04 -0.14 0.00 -0.16 0.00 0.00 57.16 56.89 1r54 n GLU 265 Cb 0.17 -1.19 -0.09 0.00 1.43 0.00 0.00 31.44 31.76 1r54 n GLU 265 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1r54 s ARG 266 N -2.19 0.65 0.28 3.44 1.70 -1.26 -5.08 118.95 116.50 1r54 s ARG 266 Ca -0.10 0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 55.01 1r54 s ARG 266 Cb 0.03 0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 1r54 s ARG 266 CO 0.25 -0.16 1.28 -0.51 -1.08 0.00 0.00 175.30 175.09 1r54 s ASP 267 N -0.77 6.88 0.21 -2.89 1.01 -1.26 -4.81 116.67 115.04 1r54 s ASP 267 Ca -0.08 2.54 0.25 0.00 0.71 0.00 0.00 52.55 55.96 1r54 s ASP 267 Cb -0.04 -2.63 0.55 0.00 1.01 0.00 0.00 42.92 41.81 1r54 s ASP 267 CO 0.04 -0.48 1.56 0.03 0.21 0.00 0.00 175.17 176.53 1r54 h ARG 268 N 4.15 0.00 -4.17 8.23 2.47 -1.99 -3.45 114.38 119.63 1r54 h ARG 268 Ca -0.47 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.02 1r54 h ARG 268 Cb 1.22 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.31 1r54 h ARG 268 CO 0.70 0.00 -0.72 -1.54 0.56 0.00 0.00 179.97 178.97 1r54 s SER 269 N -4.67 0.45 -0.08 7.04 1.04 -1.26 -4.99 113.70 111.23 1r54 s SER 269 Ca 0.08 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 1r54 s SER 269 Cb 0.12 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 1r54 s SER 269 CO 0.66 -0.20 1.91 0.00 0.98 0.00 0.00 173.24 176.59 1r54 s ARG 270 N -1.20 3.87 -0.30 4.02 3.03 -1.26 -4.95 118.95 122.17 1r54 s ARG 270 Ca -0.10 2.26 -0.06 0.00 2.03 0.00 0.00 55.73 59.85 1r54 s ARG 270 Cb -0.08 -4.16 0.02 0.00 -1.03 0.00 0.00 34.95 29.70 1r54 s ARG 270 CO -0.00 -1.25 0.07 0.08 -1.13 0.00 0.00 175.30 173.07 1r54 s VAL 271 N 5.36 3.76 0.30 4.99 1.01 -1.26 -4.45 120.40 130.11 1r54 s VAL 271 Ca 0.86 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1r54 s VAL 271 Cb -0.36 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1r54 s VAL 271 CO 0.36 0.03 0.07 0.35 0.00 0.00 0.00 175.10 175.92 1r54 n THR 272 N 4.82 0.00 0.31 3.92 -2.24 -1.26 -5.01 114.28 114.82 1r54 n THR 272 Ca -0.14 -1.64 0.13 0.00 -2.27 0.00 0.00 64.05 60.13 1r54 n THR 272 Cb 0.47 0.52 0.60 0.00 -2.10 0.00 0.00 70.33 69.82 1r54 n THR 272 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1r54 h GLN 273 N 0.00 0.00 -5.73 -0.78 3.07 -1.99 -3.40 115.11 106.29 1r54 h GLN 273 Ca -0.24 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.89 1r54 h GLN 273 Cb 0.85 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.28 1r54 h GLN 273 CO 0.38 0.00 0.64 0.34 0.09 0.00 0.00 178.83 180.28 1r54 s ASP 274 N -4.47 6.22 0.22 0.06 -1.08 -1.26 -0.09 116.67 116.27 1r54 s ASP 274 Ca 0.01 -0.70 -0.07 0.00 -0.52 0.00 0.00 52.55 51.26 1r54 s ASP 274 Cb 0.09 -2.45 0.30 0.00 -1.46 0.00 0.00 42.92 39.40 1r54 s ASP 274 CO 0.36 -1.45 1.80 0.00 0.52 0.00 0.00 175.17 176.41 1r54 h ALA 275 N 9.57 0.99 -0.44 3.66 0.00 -1.85 0.48 119.26 131.67 1r54 h ALA 275 Ca -0.28 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1r54 h ALA 275 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1r54 h ALA 275 CO 1.17 0.04 -0.04 -0.97 0.00 0.00 0.00 179.25 179.45 1r54 h ASN 276 N 0.69 0.79 -0.48 0.00 -1.24 -1.95 0.48 115.58 113.87 1r54 h ASN 276 Ca 0.34 -0.33 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 1r54 h ASN 276 Cb 0.27 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1r54 h ASN 276 CO -0.22 0.93 0.11 0.00 -1.29 0.00 0.00 177.43 176.96 1r54 h ALA 277 N 0.89 0.63 -0.66 1.57 0.00 -1.87 -2.33 119.26 117.49 1r54 h ALA 277 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r54 h ALA 277 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1r54 h ALA 277 CO 0.03 0.33 0.43 1.15 0.00 0.00 0.00 179.25 181.20 1r54 h THR 278 N 0.65 1.17 0.39 0.00 2.02 -0.75 -1.81 112.91 114.58 1r54 h THR 278 Ca 0.15 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1r54 h THR 278 Cb 0.34 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1r54 h THR 278 CO 0.00 0.16 -0.24 0.25 0.37 0.00 0.00 175.52 176.07 1r54 h LEU 279 N 0.89 -0.60 -1.22 2.58 5.85 -0.59 -1.35 115.31 120.86 1r54 h LEU 279 Ca 0.24 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1r54 h LEU 279 Cb -0.10 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1r54 h LEU 279 CO -0.05 -0.38 -0.35 -0.50 -0.34 0.00 0.00 178.44 176.82 1r54 h TRP 280 N -0.60 0.00 -0.46 1.25 4.06 -1.36 -0.20 115.95 118.64 1r54 h TRP 280 Ca -0.04 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.78 1r54 h TRP 280 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1r54 h TRP 280 CO -0.09 0.35 -0.24 0.00 -3.56 0.00 0.00 178.44 174.90 1r54 h ALA 281 N 1.65 0.71 -0.54 1.49 0.00 -1.20 -1.68 119.26 119.70 1r54 h ALA 281 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1r54 h ALA 281 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1r54 h ALA 281 CO 0.05 0.67 -0.12 0.35 0.00 0.00 0.00 179.25 180.19 1r54 h PHE 282 N 0.81 1.16 -0.13 0.00 3.57 -0.66 -2.59 116.94 119.10 1r54 h PHE 282 Ca 0.10 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.28 1r54 h PHE 282 Cb 0.81 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1r54 h PHE 282 CO 0.05 1.07 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.88 1r54 h LEU 283 N 0.91 0.23 -0.57 0.59 3.38 -0.86 0.90 115.31 119.90 1r54 h LEU 283 Ca 0.14 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1r54 h LEU 283 Cb 0.69 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1r54 h LEU 283 CO 0.05 0.49 -0.71 0.06 0.09 0.00 0.00 178.44 178.42 1r54 h GLN 284 N 0.21 0.07 -0.21 1.13 3.07 -1.16 -2.92 115.11 115.30 1r54 h GLN 284 Ca 0.03 -0.06 -0.18 0.00 0.09 0.00 0.00 58.65 58.53 1r54 h GLN 284 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1r54 h GLN 284 CO 0.04 0.75 -0.59 2.35 0.09 0.00 0.00 178.83 181.47 1r54 h TRP 285 N 0.05 0.89 -0.69 0.06 7.01 -1.01 -3.14 115.95 119.12 1r54 h TRP 285 Ca -0.01 -0.33 0.13 0.00 2.11 0.00 0.00 58.89 60.79 1r54 h TRP 285 Cb 1.25 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.10 1r54 h TRP 285 CO 0.01 1.11 0.46 -0.09 -2.79 0.00 0.00 178.44 177.15 1r54 h ARG 286 N 0.52 0.39 -0.17 2.65 2.43 -0.65 -2.47 114.38 117.08 1r54 h ARG 286 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1r54 h ARG 286 Cb 1.17 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1r54 h ARG 286 CO 0.12 0.26 -0.06 0.00 -1.51 0.00 0.00 179.97 178.77 1r54 h ARG 287 N 0.40 -0.04 -0.66 0.20 3.08 -1.48 0.13 114.38 116.02 1r54 h ARG 287 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1r54 h ARG 287 Cb 0.74 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1r54 h ARG 287 CO -0.10 -0.02 0.40 0.78 -1.07 0.00 0.00 179.97 179.95 1r54 h GLY 288 N -0.04 0.95 1.00 0.04 0.00 -1.60 -2.78 103.07 100.64 1r54 h GLY 288 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1r54 h GLY 288 CO -0.20 0.38 0.23 -2.00 0.00 0.00 0.00 176.54 174.96 1r54 h LEU 289 N 0.89 0.41 -1.13 3.11 5.85 -1.29 -2.88 115.31 120.26 1r54 h LEU 289 Ca 0.24 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1r54 h LEU 289 Cb -0.02 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 1r54 h LEU 289 CO -0.04 0.31 0.61 -0.25 -0.34 0.00 0.00 178.44 178.72 1r54 h TRP 290 N 0.47 0.97 -0.88 1.25 7.01 -0.48 0.39 115.95 124.68 1r54 h TRP 290 Ca 0.13 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1r54 h TRP 290 Cb -0.04 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.68 1r54 h TRP 290 CO -0.05 0.31 0.52 0.00 -2.79 0.00 0.00 178.44 176.44 1r54 h ALA 291 N 1.60 1.27 0.10 2.65 0.00 -1.34 -2.28 119.26 121.26 1r54 h ALA 291 Ca 0.51 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 1r54 h ALA 291 Cb 0.75 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1r54 h ALA 291 CO -0.28 0.62 -1.68 1.96 0.00 0.00 0.00 179.25 179.87 1r54 h GLN 292 N 1.21 0.21 -2.55 0.00 1.08 -1.26 -3.43 115.11 110.37 1r54 h GLN 292 Ca 0.31 -0.36 -0.59 0.00 -1.45 0.00 0.00 58.65 56.56 1r54 h GLN 292 Cb -0.04 0.13 -0.39 0.00 -0.05 0.00 0.00 27.48 27.14 1r54 h GLN 292 CO -0.06 1.03 -0.88 1.03 -0.95 0.00 0.00 178.83 179.00 1r54 s ARG 293 N -2.60 0.99 0.37 1.46 0.52 0.12 -5.12 118.95 114.69 1r54 s ARG 293 Ca -0.12 -2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 52.84 1r54 s ARG 293 Cb 0.07 -1.66 -0.12 0.00 0.52 0.00 0.00 34.95 33.76 1r54 s ARG 293 CO 0.83 -1.31 0.93 -2.30 0.02 0.00 0.00 175.30 173.47 1r54 n PRO 294 N 3.16 1.22 -3.65 3.54 -0.02 -0.87 -4.34 135.00 134.05 1r54 n PRO 294 Ca 0.22 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1r54 n PRO 294 Cb 0.42 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1r54 n PRO 294 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1r54 s HIS 295 N -1.22 -0.27 -0.10 6.00 -3.43 -1.26 -4.98 115.29 110.03 1r54 s HIS 295 Ca 0.61 -0.00 -0.14 0.00 -0.80 0.00 0.00 55.06 54.74 1r54 s HIS 295 Cb -0.62 0.61 -0.27 0.00 -1.43 0.00 0.00 32.58 30.86 1r54 s HIS 295 CO 0.58 -0.83 0.54 -0.44 -2.00 0.00 0.00 174.74 172.59 1r54 h ASP 296 N 2.00 0.42 -3.67 7.38 3.32 -0.94 -3.48 116.42 121.46 1r54 h ASP 296 Ca -0.24 -0.87 -0.23 0.00 0.02 0.00 0.00 57.03 55.71 1r54 h ASP 296 Cb 1.25 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 40.37 1r54 h ASP 296 CO 0.29 1.69 -0.64 -0.55 -1.72 0.00 0.00 179.24 178.31 1r54 s SER 297 N -7.09 -0.07 -0.11 6.45 0.15 -0.99 -4.05 113.70 108.00 1r54 s SER 297 Ca -0.20 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1r54 s SER 297 Cb 0.05 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1r54 s SER 297 CO 0.78 -0.06 -0.06 0.00 1.20 0.00 0.00 173.24 175.09 1r54 s ALA 298 N 0.38 2.94 -0.10 5.45 0.00 -1.04 -1.51 121.76 127.88 1r54 s ALA 298 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1r54 s ALA 298 Cb -0.04 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1r54 s ALA 298 CO -0.01 0.37 -0.15 -0.65 0.00 0.00 0.00 175.76 175.32 1r54 s GLN 299 N -0.14 2.17 -0.14 0.00 -1.52 0.18 -1.82 119.66 118.39 1r54 s GLN 299 Ca 0.02 -0.55 -0.14 0.00 -1.95 0.00 0.00 55.36 52.74 1r54 s GLN 299 Cb -0.13 -1.83 -0.05 0.00 -0.22 0.00 0.00 33.01 30.78 1r54 s GLN 299 CO 0.03 -0.04 0.32 -1.17 -0.25 0.00 0.00 175.29 174.18 1r54 s LEU 300 N 0.92 4.27 -0.23 2.90 2.96 -0.00 -0.78 118.68 128.71 1r54 s LEU 300 Ca -0.08 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1r54 s LEU 300 Cb -0.15 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.12 1r54 s LEU 300 CO -0.00 0.11 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.85 1r54 s LEU 301 N 0.35 2.97 0.10 -0.68 2.96 0.90 -0.72 118.68 124.57 1r54 s LEU 301 Ca 0.18 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1r54 s LEU 301 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1r54 s LEU 301 CO 0.05 -0.07 -0.08 0.28 -1.32 0.00 0.00 176.35 175.21 1r54 s THR 302 N 1.40 3.47 -1.51 3.68 -1.32 -0.10 -2.24 115.64 119.02 1r54 s THR 302 Ca 0.03 -1.21 0.27 0.00 -1.21 0.00 0.00 61.69 59.58 1r54 s THR 302 Cb -0.15 -2.62 0.26 0.00 -1.51 0.00 0.00 72.50 68.48 1r54 s THR 302 CO -0.05 0.13 1.64 0.61 -2.21 0.00 0.00 174.62 174.74 1r54 n GLY 303 N 0.73 -0.91 3.91 6.08 0.00 -1.26 -1.41 105.19 112.32 1r54 n GLY 303 Ca -0.13 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1r54 n GLY 303 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r54 s ARG 304 N -2.64 3.55 0.03 1.61 0.52 -1.26 -4.82 118.95 115.94 1r54 s ARG 304 Ca 0.22 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.62 1r54 s ARG 304 Cb 0.19 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1r54 s ARG 304 CO 0.55 -0.16 0.07 0.00 0.02 0.00 0.00 175.30 175.77 1r54 s ALA 305 N -2.68 3.53 0.10 2.13 0.00 -1.26 -4.75 121.76 118.83 1r54 s ALA 305 Ca 0.47 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 1r54 s ALA 305 Cb -0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1r54 s ALA 305 CO 0.43 0.71 0.30 -0.06 0.00 0.00 0.00 175.76 177.14 1r54 s PHE 306 N -1.26 3.50 0.26 0.00 0.08 -1.26 -4.66 117.98 114.64 1r54 s PHE 306 Ca 0.25 0.43 -0.30 0.00 0.12 0.00 0.00 56.93 57.43 1r54 s PHE 306 Cb -0.12 -1.90 -0.09 0.00 -0.57 0.00 0.00 43.02 40.34 1r54 s PHE 306 CO 0.17 0.51 1.11 -1.14 -0.10 0.00 0.00 175.22 175.76 1r54 s GLN 307 N -2.55 4.62 0.00 0.44 0.74 0.87 -3.79 119.66 120.00 1r54 s GLN 307 Ca 0.38 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.59 1r54 s GLN 307 Cb -0.13 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1r54 s GLN 307 CO 0.26 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 1r54 n GLY 308 N 1.37 0.86 2.83 2.59 0.00 -1.26 -4.26 105.19 107.32 1r54 n GLY 308 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1r54 n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r54 n ALA 309 N -1.29 0.00 -2.14 4.61 0.00 -1.25 -4.96 120.51 115.49 1r54 n ALA 309 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1r54 n ALA 309 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1r54 n ALA 309 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r54 s THR 310 N -1.39 3.50 -0.08 0.00 2.01 -1.26 -4.93 115.64 113.49 1r54 s THR 310 Ca 0.00 1.17 0.11 0.00 0.31 0.00 0.00 61.69 63.28 1r54 s THR 310 Cb 0.00 -3.75 -0.16 0.00 0.01 0.00 0.00 72.50 68.60 1r54 s THR 310 CO 0.00 0.14 0.12 0.55 -0.69 0.00 0.00 174.62 174.75 1r54 n VAL 311 N 3.16 0.51 -3.50 3.82 3.14 -1.26 -4.16 118.33 120.03 1r54 n VAL 311 Ca 0.07 -0.42 -0.12 0.00 -2.96 0.00 0.00 64.34 60.92 1r54 n VAL 311 Cb 0.44 -0.37 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 1r54 n VAL 311 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1r54 s GLY 312 N -4.07 -0.50 -0.20 7.55 0.00 -1.26 -1.59 107.32 107.26 1r54 s GLY 312 Ca -0.05 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.78 1r54 s GLY 312 CO 0.49 0.06 0.69 -2.27 0.00 0.00 0.00 173.10 172.07 1r54 s LEU 313 N -2.63 -0.65 0.03 0.66 2.96 -0.21 -5.00 118.68 113.84 1r54 s LEU 313 Ca 0.00 1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 54.85 1r54 s LEU 313 Cb -0.00 2.43 0.06 0.00 0.50 0.00 0.00 46.19 49.18 1r54 s LEU 313 CO -0.11 -0.36 0.58 0.00 -1.32 0.00 0.00 176.35 175.15 1r54 s ALA 314 N -0.12 -1.50 0.16 5.97 0.00 -1.26 -1.35 121.76 123.66 1r54 s ALA 314 Ca -0.03 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1r54 s ALA 314 Cb -0.03 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 1r54 s ALA 314 CO 0.04 -0.50 1.24 -2.14 0.00 0.00 0.00 175.76 174.40 1r54 s PRO 315 N -2.23 4.44 0.15 0.00 0.02 -1.26 -4.86 135.00 131.26 1r54 s PRO 315 Ca -0.06 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.57 1r54 s PRO 315 Cb -0.01 -3.25 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 1r54 s PRO 315 CO 0.00 -0.19 1.36 0.08 -0.33 0.00 0.00 177.00 177.93 1r54 s VAL 316 N 0.27 3.23 -1.94 3.83 1.01 -1.26 -3.01 120.40 122.54 1r54 s VAL 316 Ca 0.56 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1r54 s VAL 316 Cb -0.33 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1r54 s VAL 316 CO 0.35 0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.93 1r54 n GLU 317 N 3.38 -1.40 -0.13 2.72 1.02 -0.36 -4.89 120.64 120.99 1r54 n GLU 317 Ca 0.09 1.11 0.09 0.00 -0.02 0.00 0.00 57.16 58.44 1r54 n GLU 317 Cb 0.42 -5.50 0.30 0.00 -0.02 0.00 0.00 31.44 26.64 1r54 n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r54 n GLY 318 N -0.72 0.56 3.68 0.62 0.00 -1.06 -4.90 105.19 103.36 1r54 n GLY 318 Ca -0.20 -0.44 -0.46 0.00 0.00 0.00 0.00 46.02 44.91 1r54 n GLY 318 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r54 n MET 319 N 0.51 2.27 0.00 1.61 0.00 -0.92 -1.50 117.12 119.08 1r54 n MET 319 Ca 0.15 0.82 0.00 0.00 0.00 0.00 0.00 57.70 58.68 1r54 n MET 319 Cb 0.35 -2.64 0.00 0.00 0.00 0.00 0.00 33.22 30.93 1r54 n MET 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r54 s ARG 321 N -0.13 4.56 0.42 0.00 0.52 -0.56 -4.93 118.95 118.83 1r54 s ARG 321 Ca 0.00 1.74 0.14 0.00 -0.52 0.00 0.00 55.73 57.09 1r54 s ARG 321 Cb 0.00 -3.28 1.00 0.00 0.52 0.00 0.00 34.95 33.19 1r54 s ARG 321 CO 0.00 0.02 1.94 0.00 0.02 0.00 0.00 175.30 177.28 1r54 h ALA 322 N 5.31 2.03 0.00 2.13 0.00 -1.95 -2.25 119.26 124.53 1r54 h ALA 322 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r54 h ALA 322 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1r54 h ALA 322 CO 0.74 -0.20 -0.72 -0.85 0.00 0.00 0.00 179.25 178.21 1r54 n GLU 323 N -4.48 0.20 -0.52 0.00 0.00 -1.26 -4.62 120.64 109.96 1r54 n GLU 323 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1r54 n GLU 323 Cb 0.45 -1.60 -0.00 0.00 0.00 0.00 0.00 31.44 30.29 1r54 n GLU 323 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1r54 n SER 324 N -1.87 0.01 -4.31 -1.84 3.41 -1.04 -4.82 113.62 103.15 1r54 n SER 324 Ca 0.03 -1.72 -0.44 0.00 -0.26 0.00 0.00 58.87 56.49 1r54 n SER 324 Cb 0.41 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1r54 n SER 324 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1r54 n SER 325 N 0.01 5.17 -3.34 4.04 2.88 -0.87 -4.49 113.62 117.02 1r54 n SER 325 Ca -0.00 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1r54 n SER 325 Cb 0.65 -1.55 0.02 0.00 -0.75 0.00 0.00 64.21 62.57 1r54 n SER 325 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r54 n GLY 326 N 3.80 0.45 3.80 0.46 0.00 -1.26 -2.50 105.19 109.94 1r54 n GLY 326 Ca 0.38 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1r54 n GLY 326 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r54 s GLY 327 N -3.53 -0.18 -0.02 -0.02 0.00 -0.76 -4.26 107.32 98.55 1r54 s GLY 327 Ca 0.24 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1r54 s GLY 327 CO 0.02 -0.03 -0.11 0.54 0.00 0.00 0.00 173.10 173.51 1r54 s VAL 328 N -3.55 0.95 0.01 1.40 0.11 -0.46 -0.82 120.40 118.04 1r54 s VAL 328 Ca 0.12 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1r54 s VAL 328 Cb -0.03 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1r54 s VAL 328 CO 0.04 0.28 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.63 1r54 s SER 329 N 0.03 0.21 0.02 3.54 0.01 0.10 -1.04 113.70 116.57 1r54 s SER 329 Ca -0.01 -0.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 1r54 s SER 329 Cb -0.08 0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.12 1r54 s SER 329 CO 0.00 -0.11 0.42 0.42 0.41 0.00 0.00 173.24 174.38 1r54 s THR 330 N -0.60 5.02 -1.30 1.44 -4.23 -0.62 -0.93 115.64 114.43 1r54 s THR 330 Ca -0.06 0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1r54 s THR 330 Cb -0.04 -3.71 0.10 0.00 1.34 0.00 0.00 72.50 70.19 1r54 s THR 330 CO -0.00 0.53 1.74 -0.67 -0.54 0.00 0.00 174.62 175.68 1r54 n ASP 331 N 1.67 4.88 0.21 3.99 -0.08 -0.50 -4.68 116.55 122.04 1r54 n ASP 331 Ca -0.13 -2.94 0.13 0.00 -1.51 0.00 0.00 54.79 50.33 1r54 n ASP 331 Cb 0.52 -1.66 0.24 0.00 2.34 0.00 0.00 41.12 42.56 1r54 n ASP 331 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1r54 h HIS 332 N 7.03 0.00 -3.24 -0.67 2.07 -1.93 -3.47 115.15 114.95 1r54 h HIS 332 Ca 0.42 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.30 1r54 h HIS 332 Cb 0.81 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.63 1r54 h HIS 332 CO 1.32 0.00 -0.78 0.45 -3.07 0.00 0.00 177.93 175.85 1r54 s SER 333 N -5.96 3.87 0.41 3.10 0.15 -1.26 -4.99 113.70 109.02 1r54 s SER 333 Ca 0.07 -0.68 0.13 0.00 0.70 0.00 0.00 55.95 56.17 1r54 s SER 333 Cb 0.06 -0.51 0.86 0.00 -1.71 0.00 0.00 66.02 64.72 1r54 s SER 333 CO 0.65 0.13 1.91 -0.33 1.20 0.00 0.00 173.24 176.80 1r54 h GLU 334 N 3.20 0.04 -6.49 5.44 4.39 -2.03 -3.41 114.58 115.71 1r54 h GLU 334 Ca -0.47 -0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.69 1r54 h GLU 334 Cb 1.20 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1r54 h GLU 334 CO 0.50 0.29 0.35 -0.51 -1.16 0.00 0.00 179.01 178.48 1r54 s LEU 335 N -8.49 4.45 0.39 1.33 1.43 -1.26 -4.95 118.68 111.58 1r54 s LEU 335 Ca -0.04 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.84 1r54 s LEU 335 Cb 0.15 -3.56 0.78 0.00 0.03 0.00 0.00 46.19 43.59 1r54 s LEU 335 CO 0.71 -0.13 2.03 -0.65 0.23 0.00 0.00 176.35 178.54 1r54 h PRO 336 N 6.03 0.60 0.00 1.29 0.11 -1.95 -2.10 132.00 135.98 1r54 h PRO 336 Ca -0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1r54 h PRO 336 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1r54 h PRO 336 CO 0.73 0.42 -0.03 0.97 -0.21 0.00 0.00 178.00 179.88 1r54 h ILE 337 N 0.61 0.23 0.45 4.15 2.10 -1.92 -2.41 117.51 120.73 1r54 h ILE 337 Ca 0.16 -0.19 -0.02 0.00 1.08 0.00 0.00 64.86 65.89 1r54 h ILE 337 Cb -0.03 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1r54 h ILE 337 CO -0.03 0.03 -0.22 1.23 -1.08 0.00 0.00 178.15 178.08 1r54 h GLY 338 N 0.49 -0.64 1.31 8.18 0.00 -1.72 0.15 103.07 110.84 1r54 h GLY 338 Ca -0.00 0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1r54 h GLY 338 CO 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 176.54 176.32 1r54 h ALA 339 N -0.21 1.06 -0.62 3.60 0.00 -1.67 -2.60 119.26 118.83 1r54 h ALA 339 Ca -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1r54 h ALA 339 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1r54 h ALA 339 CO 0.10 0.59 0.29 0.00 0.00 0.00 0.00 179.25 180.23 1r54 h ALA 340 N 1.22 0.80 -0.89 0.00 0.00 -1.32 0.13 119.26 119.19 1r54 h ALA 340 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1r54 h ALA 340 Cb 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1r54 h ALA 340 CO 0.02 0.37 0.49 0.00 0.00 0.00 0.00 179.25 180.12 1r54 h ALA 341 N 1.12 1.19 -0.31 0.00 0.00 -0.73 0.25 119.26 120.79 1r54 h ALA 341 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1r54 h ALA 341 Cb 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1r54 h ALA 341 CO -0.03 0.66 0.01 1.15 0.00 0.00 0.00 179.25 181.04 1r54 h THR 342 N 1.24 1.25 -0.57 0.00 2.02 -1.05 -1.16 112.91 114.64 1r54 h THR 342 Ca 0.31 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1r54 h THR 342 Cb 0.02 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1r54 h THR 342 CO -0.05 0.30 0.12 -0.03 0.37 0.00 0.00 175.52 176.22 1r54 h MET 343 N 0.34 0.93 -0.40 6.66 -1.53 -0.34 -1.81 114.93 118.77 1r54 h MET 343 Ca 0.09 -0.24 -0.09 0.00 -3.44 0.00 0.00 59.70 56.02 1r54 h MET 343 Cb 0.42 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 1r54 h MET 343 CO 0.01 0.88 -0.11 0.00 0.14 0.00 0.00 176.91 177.83 1r54 h ALA 344 N 1.01 1.06 -0.46 0.39 0.00 -0.44 -0.10 119.26 120.72 1r54 h ALA 344 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1r54 h ALA 344 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1r54 h ALA 344 CO 0.01 0.58 0.22 1.25 0.00 0.00 0.00 179.25 181.30 1r54 h HIS 345 N 0.64 0.66 -0.10 0.00 6.17 -0.92 -0.02 115.15 121.58 1r54 h HIS 345 Ca 0.11 -0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.04 1r54 h HIS 345 Cb 0.56 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 1r54 h HIS 345 CO 0.03 0.53 -0.48 0.93 0.71 0.00 0.00 177.93 179.65 1r54 h GLU 346 N 0.59 0.26 -0.14 5.26 4.39 -1.05 -1.69 114.58 122.20 1r54 h GLU 346 Ca 0.16 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1r54 h GLU 346 Cb 0.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1r54 h GLU 346 CO -0.02 0.69 -0.32 0.82 -1.16 0.00 0.00 179.01 179.02 1r54 h ILE 347 N 0.21 1.27 -0.41 3.13 2.04 -0.72 -0.48 117.51 122.55 1r54 h ILE 347 Ca 0.01 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1r54 h ILE 347 Cb 0.93 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1r54 h ILE 347 CO 0.08 0.40 0.18 1.23 0.00 0.00 0.00 178.15 180.04 1r54 h GLY 348 N 1.08 0.64 1.48 5.37 0.00 -0.30 -0.37 103.07 110.95 1r54 h GLY 348 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1r54 h GLY 348 CO 0.05 0.31 0.09 0.45 0.00 0.00 0.00 176.54 177.44 1r54 h HIS 349 N 0.52 0.68 -0.19 5.60 3.86 -0.85 0.13 115.15 124.88 1r54 h HIS 349 Ca 0.14 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1r54 h HIS 349 Cb 0.14 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1r54 h HIS 349 CO -0.01 0.59 -0.05 1.03 0.86 0.00 0.00 177.93 180.35 1r54 h SER 350 N 0.64 0.27 -0.33 2.45 0.87 -0.29 -0.54 113.55 116.62 1r54 h SER 350 Ca 0.14 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1r54 h SER 350 Cb 0.26 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1r54 h SER 350 CO -0.00 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 1r54 n LEU 351 N -4.33 2.88 -0.53 2.23 4.77 -0.23 -2.16 117.00 119.65 1r54 n LEU 351 Ca -0.00 -1.46 -0.07 0.00 -0.03 0.00 0.00 56.01 54.45 1r54 n LEU 351 Cb 0.22 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1r54 n LEU 351 CO 0.37 0.47 -0.07 0.61 -1.33 0.00 0.00 177.39 177.45 1r54 n GLY 352 N 0.64 0.90 3.76 -0.72 0.00 -0.36 -4.85 105.19 104.56 1r54 n GLY 352 Ca 0.14 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1r54 n GLY 352 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r54 s LEU 353 N -1.56 4.54 0.59 0.99 1.43 0.34 -4.97 118.68 120.04 1r54 s LEU 353 Ca 0.00 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1r54 s LEU 353 Cb 0.00 -3.33 0.07 0.00 0.03 0.00 0.00 46.19 42.96 1r54 s LEU 353 CO 0.00 0.11 0.81 -0.94 0.23 0.00 0.00 176.35 176.56 1r54 s SER 354 N -0.65 5.01 0.58 2.29 1.04 -1.26 -4.11 113.70 116.59 1r54 s SER 354 Ca 0.38 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 1r54 s SER 354 Cb -0.23 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 1r54 s SER 354 CO 0.26 -1.35 1.10 -1.00 0.98 0.00 0.00 173.24 173.22 1r54 s HIS 355 N -2.77 2.76 0.10 5.02 0.09 -1.26 -4.88 115.29 114.35 1r54 s HIS 355 Ca 0.61 1.54 -0.31 0.00 -0.00 0.00 0.00 55.06 56.90 1r54 s HIS 355 Cb -0.07 -3.17 -0.08 0.00 -0.00 0.00 0.00 32.58 29.26 1r54 s HIS 355 CO 0.39 -1.43 1.52 -0.51 -0.00 0.00 0.00 174.74 174.71 1r54 s ASP 356 N -2.27 6.70 0.95 1.40 1.01 0.43 -5.02 116.67 119.87 1r54 s ASP 356 Ca 0.68 2.43 0.00 0.00 0.71 0.00 0.00 52.55 56.37 1r54 s ASP 356 Cb -0.20 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1r54 s ASP 356 CO 0.33 -0.78 0.00 -2.65 0.21 0.00 0.00 175.17 172.28 1r54 n PRO 357 N 4.61 -1.15 -0.07 8.23 -0.02 -1.26 -4.84 135.00 140.50 1r54 n PRO 357 Ca 0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 1r54 n PRO 357 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.85 1r54 n PRO 357 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1r54 h ASP 358 N -1.20 -0.78 -0.45 2.55 2.03 -2.04 -3.15 116.42 113.37 1r54 h ASP 358 Ca 0.00 0.10 -0.02 0.00 -0.73 0.00 0.00 57.03 56.38 1r54 h ASP 358 Cb 0.00 0.32 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 1r54 h ASP 358 CO 0.00 -0.16 0.02 0.61 -1.03 0.00 0.00 179.24 178.68 1r54 n GLY 359 N -1.15 3.57 3.77 7.15 0.00 -1.26 -4.96 105.19 112.31 1r54 n GLY 359 Ca -0.01 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1r54 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r54 n VAL 362 N -0.19 0.00 0.72 0.00 0.24 -1.26 -4.56 118.33 113.27 1r54 n VAL 362 Ca 0.00 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 62.03 1r54 n VAL 362 Cb 0.00 0.37 0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1r54 n VAL 362 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r54 n GLU 363 N -1.78 1.27 -3.23 7.34 4.71 -1.26 -4.73 120.64 122.95 1r54 n GLU 363 Ca -0.01 -0.40 0.04 0.00 -0.01 0.00 0.00 57.16 56.77 1r54 n GLU 363 Cb 0.27 -1.29 -0.04 0.00 -1.01 0.00 0.00 31.44 29.37 1r54 n GLU 363 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r54 s ALA 364 N -0.67 -3.24 0.67 0.62 0.00 -1.26 -4.98 121.76 112.90 1r54 s ALA 364 Ca 0.07 1.79 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1r54 s ALA 364 Cb 0.06 -2.27 0.11 0.00 0.00 0.00 0.00 23.12 21.02 1r54 s ALA 364 CO 0.02 -0.88 0.93 0.00 0.00 0.00 0.00 175.76 175.83 1r54 s ALA 365 N 1.88 3.87 0.03 0.00 0.00 -1.26 -4.30 121.76 121.97 1r54 s ALA 365 Ca -0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.17 1r54 s ALA 365 Cb -0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 1r54 s ALA 365 CO -0.15 -1.27 1.12 0.00 0.00 0.00 0.00 175.76 175.46 1r54 h ALA 366 N -0.34 -0.26 0.00 0.00 0.00 -1.98 -0.21 119.26 116.47 1r54 h ALA 366 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1r54 h ALA 366 Cb 1.27 0.93 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1r54 h ALA 366 CO 0.42 -0.34 0.08 -0.85 0.00 0.00 0.00 179.25 178.56 1r54 n GLU 367 N -3.37 0.11 0.00 0.00 0.00 -1.26 -0.12 120.64 116.01 1r54 n GLU 367 Ca -0.00 0.60 0.12 0.00 0.00 0.00 0.00 57.16 57.88 1r54 n GLU 367 Cb 0.06 -1.95 0.21 0.00 0.00 0.00 0.00 31.44 29.77 1r54 n GLU 367 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1r54 n SER 368 N -2.13 1.44 0.00 -1.84 7.64 -0.13 -4.91 113.62 113.68 1r54 n SER 368 Ca -0.01 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1r54 n SER 368 Cb 0.10 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1r54 n SER 368 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r54 n GLY 369 N 1.38 1.05 7.00 0.23 0.00 0.83 -4.54 105.19 111.13 1r54 n GLY 369 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1r54 n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r54 n GLY 370 N -1.94 -0.58 3.87 -0.02 0.00 -0.99 -3.01 105.19 102.51 1r54 n GLY 370 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1r54 n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r54 h VAL 372 N 1.70 1.21 -0.21 0.00 2.07 -1.38 -2.95 116.25 116.69 1r54 h VAL 372 Ca -0.49 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 1r54 h VAL 372 Cb 1.21 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1r54 h VAL 372 CO 0.64 0.20 0.14 0.23 0.02 0.00 0.00 177.57 178.80 1r54 n MET 373 N -4.52 1.27 -2.47 1.57 0.00 -1.26 -4.70 117.12 107.02 1r54 n MET 373 Ca 0.08 -0.65 -0.34 0.00 0.00 0.00 0.00 57.70 56.79 1r54 n MET 373 Cb 0.02 -1.25 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 1r54 n MET 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r54 s ALA 374 N -0.71 2.83 0.02 3.04 0.00 -1.12 -0.43 121.76 125.38 1r54 s ALA 374 Ca 0.12 0.65 0.23 0.00 0.00 0.00 0.00 51.96 52.96 1r54 s ALA 374 Cb 0.10 -3.28 0.75 0.00 0.00 0.00 0.00 23.12 20.70 1r54 s ALA 374 CO 0.02 -0.43 1.75 0.00 0.00 0.00 0.00 175.76 177.11 1r54 h ALA 375 N 1.44 0.96 -3.32 0.00 0.00 -1.90 -3.45 119.26 113.00 1r54 h ALA 375 Ca -0.50 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 53.55 1r54 h ALA 375 Cb 1.23 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1r54 h ALA 375 CO 0.58 0.28 -0.64 0.00 0.00 0.00 0.00 179.25 179.48 1r54 s ALA 376 N -3.48 3.35 0.09 0.00 0.00 -1.26 -5.13 121.76 115.33 1r54 s ALA 376 Ca 0.02 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1r54 s ALA 376 Cb 0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1r54 s ALA 376 CO 0.65 0.68 -0.19 -0.08 0.00 0.00 0.00 175.76 176.82 1r54 s THR 377 N -1.21 1.52 0.00 0.00 -1.32 -1.26 -5.09 115.64 108.28 1r54 s THR 377 Ca 0.23 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1r54 s THR 377 Cb -0.12 -1.40 0.00 0.00 -1.51 0.00 0.00 72.50 69.48 1r54 s THR 377 CO 0.15 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1r54 n GLY 378 N 1.19 3.84 3.77 6.08 0.00 -1.26 -5.12 105.19 113.70 1r54 n GLY 378 Ca -0.20 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1r54 n GLY 378 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r54 s HIS 379 N -2.00 2.91 0.34 1.61 5.65 -1.26 -3.89 115.29 118.65 1r54 s HIS 379 Ca 0.00 1.35 -0.28 0.00 0.25 0.00 0.00 55.06 56.38 1r54 s HIS 379 Cb 0.00 -3.77 -0.09 0.00 -1.18 0.00 0.00 32.58 27.54 1r54 s HIS 379 CO 0.00 -2.17 1.18 -2.14 -0.65 0.00 0.00 174.74 170.97 1r54 s PRO 380 N -1.90 4.35 0.31 2.88 0.02 -1.26 -5.11 135.00 134.29 1r54 s PRO 380 Ca 0.50 1.93 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1r54 s PRO 380 Cb -0.41 -2.97 -0.08 0.00 0.02 0.00 0.00 34.50 31.05 1r54 s PRO 380 CO 0.55 -0.09 0.69 -0.06 -0.33 0.00 0.00 177.00 177.77 1r54 s PHE 381 N -1.25 3.40 0.43 6.54 0.40 -1.25 -4.32 117.98 121.92 1r54 s PHE 381 Ca 0.50 1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 57.69 1r54 s PHE 381 Cb -0.34 -2.45 -0.08 0.00 0.51 0.00 0.00 43.02 40.67 1r54 s PHE 381 CO 0.44 0.12 1.14 -1.25 0.70 0.00 0.00 175.22 176.36 1r54 s PRO 382 N -3.04 3.93 0.00 0.24 0.04 -1.16 -4.25 135.00 130.76 1r54 s PRO 382 Ca 0.52 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1r54 s PRO 382 Cb -0.10 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1r54 s PRO 382 CO 0.20 -0.40 0.35 0.54 0.04 0.00 0.00 177.00 177.73 1r54 n ARG 383 N -0.24 0.81 -3.95 4.56 1.74 -1.25 -4.84 116.66 113.48 1r54 n ARG 383 Ca 0.06 -0.35 -0.09 0.00 -0.77 0.00 0.00 57.85 56.70 1r54 n ARG 383 Cb 0.48 -0.84 -0.09 0.00 -1.02 0.00 0.00 32.46 30.99 1r54 n ARG 383 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1r54 s VAL 384 N -0.22 0.15 -0.06 1.55 -7.23 -1.26 -4.40 120.40 108.93 1r54 s VAL 384 Ca 0.00 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1r54 s VAL 384 Cb 0.00 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1r54 s VAL 384 CO 0.00 -0.67 0.22 -0.36 -0.31 0.00 0.00 175.10 173.98 1r54 s PHE 385 N -2.89 3.61 1.00 2.82 0.08 -1.26 -0.97 117.98 120.37 1r54 s PHE 385 Ca -0.03 0.61 -0.12 0.00 0.12 0.00 0.00 56.93 57.51 1r54 s PHE 385 Cb 0.01 -2.00 0.19 0.00 -0.57 0.00 0.00 43.02 40.64 1r54 s PHE 385 CO -0.06 0.68 1.08 -1.54 -0.10 0.00 0.00 175.22 175.28 1r54 s SER 386 N -1.28 2.49 0.35 1.36 1.04 -1.26 -4.82 113.70 111.57 1r54 s SER 386 Ca 0.21 1.50 0.08 0.00 0.48 0.00 0.00 55.95 58.22 1r54 s SER 386 Cb -0.13 -2.17 0.65 0.00 0.10 0.00 0.00 66.02 64.46 1r54 s SER 386 CO 0.10 -3.26 1.83 0.00 0.98 0.00 0.00 173.24 172.89 1r54 h ALA 387 N -1.98 1.35 -0.58 5.32 0.00 -1.97 -1.77 119.26 119.62 1r54 h ALA 387 Ca -0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1r54 h ALA 387 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1r54 h ALA 387 CO 0.53 0.45 0.32 0.00 0.00 0.00 0.00 179.25 180.55 1r54 h SER 389 N 0.78 0.86 -0.89 0.00 0.02 -1.75 -1.91 113.55 110.67 1r54 h SER 389 Ca 0.20 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1r54 h SER 389 Cb 0.03 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1r54 h SER 389 CO -0.03 0.80 0.50 0.03 -1.14 0.00 0.00 176.83 176.99 1r54 h ARG 390 N 0.88 1.22 -0.49 3.45 3.08 -0.85 -0.92 114.38 120.75 1r54 h ARG 390 Ca 0.21 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1r54 h ARG 390 Cb 0.20 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1r54 h ARG 390 CO -0.02 0.88 -0.07 0.00 -1.07 0.00 0.00 179.97 179.69 1r54 h ARG 391 N 1.23 0.91 -0.86 0.04 3.08 -0.98 -2.05 114.38 115.75 1r54 h ARG 391 Ca 0.31 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1r54 h ARG 391 Cb -0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1r54 h ARG 391 CO -0.05 0.98 0.46 1.96 -1.07 0.00 0.00 179.97 182.24 1r54 h GLN 392 N 0.76 1.21 -0.28 0.04 4.20 -0.93 -2.00 115.11 118.11 1r54 h GLN 392 Ca 0.13 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1r54 h GLN 392 Cb 0.62 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1r54 h GLN 392 CO 0.04 0.89 0.04 1.25 -0.67 0.00 0.00 178.83 180.39 1r54 h LEU 393 N 1.21 0.44 -1.44 1.46 5.85 -0.96 -0.81 115.31 121.06 1r54 h LEU 393 Ca 0.30 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1r54 h LEU 393 Cb 0.05 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1r54 h LEU 393 CO -0.05 0.59 0.25 0.03 -0.34 0.00 0.00 178.44 178.93 1r54 h ARG 394 N 0.28 0.63 -0.44 1.25 3.08 -1.16 -1.06 114.38 116.95 1r54 h ARG 394 Ca 0.08 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 1r54 h ARG 394 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1r54 h ARG 394 CO 0.01 0.47 -0.24 0.00 -1.07 0.00 0.00 179.97 179.13 1r54 h ALA 395 N 1.64 0.62 -0.07 0.04 0.00 -1.09 -1.30 119.26 119.12 1r54 h ALA 395 Ca 0.16 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1r54 h ALA 395 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1r54 h ALA 395 CO -0.03 0.63 -0.04 0.35 0.00 0.00 0.00 179.25 180.16 1r54 h PHE 396 N 0.78 -0.08 -0.25 0.00 3.57 -0.15 0.35 116.94 121.15 1r54 h PHE 396 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1r54 h PHE 396 Cb 0.82 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1r54 h PHE 396 CO 0.06 -0.06 0.12 0.74 -2.23 0.00 0.00 178.31 176.93 1r54 h PHE 397 N -0.03 0.37 -0.93 0.41 0.05 -1.20 0.83 116.94 116.44 1r54 h PHE 397 Ca 0.04 -0.02 0.08 0.00 3.82 0.00 0.00 57.97 61.89 1r54 h PHE 397 Cb 0.09 -0.11 -0.06 0.00 2.00 0.00 0.00 35.95 37.86 1r54 h PHE 397 CO -0.14 0.37 0.60 -0.09 -0.18 0.00 0.00 178.31 178.87 1r54 h ARG 398 N 0.27 0.98 -0.01 1.51 2.43 -0.99 -0.16 114.38 118.41 1r54 h ARG 398 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1r54 h ARG 398 Cb 0.14 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1r54 h ARG 398 CO -0.01 0.65 0.00 1.63 -1.51 0.00 0.00 179.97 180.73 1r54 n LYS 399 N -4.52 1.05 0.00 0.20 5.02 0.09 -4.88 118.16 115.13 1r54 n LYS 399 Ca 0.15 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1r54 n LYS 399 Cb 0.24 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1r54 n LYS 399 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r54 n GLY 400 N 0.86 0.49 3.85 0.72 0.00 -0.07 -5.06 105.19 105.98 1r54 n GLY 400 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1r54 n GLY 400 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r54 s GLY 401 N -1.15 1.84 -1.46 -0.02 0.00 0.25 -4.06 107.32 102.73 1r54 s GLY 401 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 1r54 s GLY 401 CO 0.00 0.35 0.92 0.61 0.00 0.00 0.00 173.10 174.97 1r54 n GLY 402 N -2.09 -0.52 0.35 0.20 0.00 -1.26 -4.12 105.19 97.75 1r54 n GLY 402 Ca 0.07 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1r54 n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r54 h ALA 403 N 0.99 2.19 0.00 4.61 0.00 -1.88 -2.38 119.26 122.80 1r54 h ALA 403 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1r54 h ALA 403 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1r54 h ALA 403 CO 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1r54 n LEU 405 N -1.25 1.93 0.08 0.00 4.32 -0.90 -4.24 117.00 116.95 1r54 n LEU 405 Ca 0.09 -0.95 -0.10 0.00 -0.02 0.00 0.00 56.01 55.04 1r54 n LEU 405 Cb 0.13 -0.23 -0.07 0.00 -1.62 0.00 0.00 43.42 41.64 1r54 n LEU 405 CO 0.14 0.47 0.15 0.28 -1.22 0.00 0.00 177.39 177.21 1r54 h SER 406 N 2.17 0.24 -3.68 -1.43 0.02 -1.74 -1.44 113.55 107.69 1r54 h SER 406 Ca 0.00 -0.22 -0.50 0.00 -0.84 0.00 0.00 61.79 60.23 1r54 h SER 406 Cb 0.49 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1r54 h SER 406 CO 0.00 1.09 0.35 0.54 -1.14 0.00 0.00 176.83 177.68 1r54 s ASN 407 N -6.94 7.60 -0.10 3.07 4.22 -1.26 -4.83 114.94 116.70 1r54 s ASN 407 Ca -0.02 1.89 -0.24 0.00 -2.14 0.00 0.00 52.86 52.35 1r54 s ASN 407 Cb 0.09 -2.60 -0.03 0.00 1.28 0.00 0.00 41.25 39.99 1r54 s ASN 407 CO 0.84 0.08 0.75 0.00 -2.04 0.00 0.00 177.10 176.73 1r54 s ALA 408 N -0.76 3.39 -2.00 3.54 0.00 -1.26 -4.56 121.76 120.12 1r54 s ALA 408 Ca 0.43 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1r54 s ALA 408 Cb -0.25 -3.05 0.21 0.00 0.00 0.00 0.00 23.12 20.03 1r54 s ALA 408 CO 0.31 -0.29 0.69 -0.35 0.00 0.00 0.00 175.76 176.12