#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjc s SER 207 N 0.00 -0.10 0.19 5.87 1.04 -1.26 -5.05 113.70 114.38 2rjc s SER 207 Ca 0.00 -0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.26 2rjc s SER 207 Cb 0.00 0.29 0.10 0.00 0.10 0.00 0.00 66.02 66.52 2rjc s SER 207 CO 0.00 -0.48 1.62 -0.50 0.98 0.00 0.00 173.24 174.86 2rjc h TRP 208 N 3.76 1.06 0.13 5.02 4.06 -2.03 -0.91 115.95 127.05 2rjc h TRP 208 Ca -0.31 -0.22 0.01 0.00 2.06 0.00 0.00 58.89 60.43 2rjc h TRP 208 Cb 1.19 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 29.07 2rjc h TRP 208 CO 0.52 1.01 -0.15 0.93 -3.56 0.00 0.00 178.44 177.19 2rjc h GLU 209 N 0.84 -0.31 -0.58 0.49 3.07 -1.99 -0.90 114.58 115.20 2rjc h GLU 209 Ca 0.13 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 2rjc h GLU 209 Cb 0.68 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2rjc h GLU 209 CO 0.05 -0.20 0.04 0.77 -1.40 0.00 0.00 179.01 178.27 2rjc h SER 210 N -0.32 0.94 -0.72 1.42 0.02 -1.98 -2.88 113.55 110.03 2rjc h SER 210 Ca 0.01 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2rjc h SER 210 Cb 0.31 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2rjc h SER 210 CO -0.06 0.97 0.46 0.22 -1.14 0.00 0.00 176.83 177.29 2rjc h TYR 211 N 0.91 0.88 -0.35 3.45 3.20 -0.42 -1.72 116.97 122.91 2rjc h TYR 211 Ca 0.17 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2rjc h TYR 211 Cb 0.47 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2rjc h TYR 211 CO 0.03 0.53 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.86 2rjc h LEU 212 N 0.93 0.61 0.61 2.82 3.38 -1.22 -1.23 115.31 121.21 2rjc h LEU 212 Ca 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2rjc h LEU 212 Cb -0.05 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.55 2rjc h LEU 212 CO -0.08 0.78 -0.29 -0.33 0.09 0.00 0.00 178.44 178.60 2rjc h GLU 213 N 0.56 -0.79 -0.69 1.13 5.08 -1.24 0.15 114.58 118.78 2rjc h GLU 213 Ca 0.10 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 2rjc h GLU 213 Cb 0.58 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2rjc h GLU 213 CO 0.04 -0.50 0.46 0.93 -1.00 0.00 0.00 179.01 178.94 2rjc h GLU 214 N -0.92 0.43 0.00 2.33 5.08 -1.14 -2.42 114.58 117.94 2rjc h GLU 214 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2rjc h GLU 214 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2rjc h GLU 214 CO 0.14 0.28 -0.97 1.04 -1.00 0.00 0.00 179.01 178.50 2rjc n GLN 215 N -4.48 0.02 -3.74 2.33 1.13 -0.48 -4.99 117.38 107.17 2rjc n GLN 215 Ca 0.12 -0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.94 2rjc n GLN 215 Cb 0.44 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.31 2rjc n GLN 215 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2rjc n LYS 216 N -1.53 -3.89 -4.46 -1.09 4.76 0.42 -4.98 118.16 107.39 2rjc n LYS 216 Ca 0.04 0.55 -0.23 0.00 -2.87 0.00 0.00 58.31 55.81 2rjc n LYS 216 Cb 0.34 -4.90 -0.10 0.00 -1.84 0.00 0.00 35.03 28.53 2rjc n LYS 216 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rjc s ALA 217 N -3.70 2.51 0.17 7.82 0.00 -0.67 -5.05 121.76 122.84 2rjc s ALA 217 Ca 0.09 -1.98 0.11 0.00 0.00 0.00 0.00 51.96 50.17 2rjc s ALA 217 Cb -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2rjc s ALA 217 CO 0.83 -0.07 -0.21 0.96 0.00 0.00 0.00 175.76 177.27 2rjc s ILE 218 N -2.95 2.54 0.31 0.00 -4.36 -1.26 -4.78 121.20 110.70 2rjc s ILE 218 Ca 0.31 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 2rjc s ILE 218 Cb 0.04 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 2rjc s ILE 218 CO 0.14 -0.06 0.57 0.42 0.24 0.00 0.00 174.94 176.25 2rjc s THR 219 N -1.51 5.01 0.09 8.37 -4.23 -1.26 -1.36 115.64 120.76 2rjc s THR 219 Ca 0.20 0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.46 2rjc s THR 219 Cb -0.09 -3.75 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 2rjc s THR 219 CO 0.10 -0.37 1.72 0.00 -0.54 0.00 0.00 174.62 175.53 2rjc s ALA 220 N -2.14 3.72 0.63 3.99 0.00 0.17 -4.64 121.76 123.49 2rjc s ALA 220 Ca 0.44 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 2rjc s ALA 220 Cb -0.11 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 2rjc s ALA 220 CO 0.31 -1.14 1.25 -2.30 0.00 0.00 0.00 175.76 173.87 2rjc n PRO 221 N 5.58 1.14 -0.23 0.00 -0.02 -1.26 -4.67 135.00 135.54 2rjc n PRO 221 Ca 0.17 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 2rjc n PRO 221 Cb 0.39 -2.48 0.43 0.00 -0.02 0.00 0.00 33.50 31.83 2rjc n PRO 221 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2rjc h VAL 222 N 0.62 0.80 0.00 -1.45 2.07 -1.96 -2.14 116.25 114.19 2rjc h VAL 222 Ca -0.51 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2rjc h VAL 222 Cb 1.34 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2rjc h VAL 222 CO 0.53 0.10 0.00 0.77 0.02 0.00 0.00 177.57 178.99 2rjc h SER 223 N 0.57 0.00 1.00 0.57 4.64 -1.99 -2.38 113.55 115.95 2rjc h SER 223 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2rjc h SER 223 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2rjc h SER 223 CO -0.17 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.97 2rjc n LEU 224 N -2.56 0.62 -4.87 5.97 4.77 -0.81 -4.86 117.00 115.25 2rjc n LEU 224 Ca -0.01 0.61 -0.31 0.00 -0.03 0.00 0.00 56.01 56.27 2rjc n LEU 224 Cb 0.13 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2rjc n LEU 224 CO 0.17 -0.36 -0.19 -0.36 -1.33 0.00 0.00 177.39 175.33 2rjc s PHE 225 N -3.19 3.42 0.37 -1.77 0.08 -0.90 -4.81 117.98 111.18 2rjc s PHE 225 Ca 0.07 0.22 -0.27 0.00 0.12 0.00 0.00 56.93 57.07 2rjc s PHE 225 Cb 0.11 -1.73 -0.12 0.00 -0.57 0.00 0.00 43.02 40.71 2rjc s PHE 225 CO 0.46 0.58 1.23 1.04 -0.10 0.00 0.00 175.22 178.43 2rjc n GLN 226 N 0.48 1.93 -0.27 0.44 1.13 -1.26 -4.89 117.38 114.93 2rjc n GLN 226 Ca -0.07 0.68 0.08 0.00 -1.94 0.00 0.00 57.00 55.75 2rjc n GLN 226 Cb 0.51 -2.27 0.21 0.00 0.11 0.00 0.00 30.24 28.80 2rjc n GLN 226 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2rjc h ASP 227 N 2.27 -0.22 0.13 1.08 3.58 -1.97 -1.50 116.42 119.79 2rjc h ASP 227 Ca -0.46 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 2rjc h ASP 227 Cb 1.30 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 42.66 2rjc h ASP 227 CO 0.61 -0.17 -0.11 0.77 -2.88 0.00 0.00 179.24 177.46 2rjc h SER 228 N 0.14 0.00 1.08 2.28 4.64 -1.97 -2.10 113.55 117.63 2rjc h SER 228 Ca 0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.71 2rjc h SER 228 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2rjc h SER 228 CO -0.66 0.11 -0.37 1.56 -0.87 0.00 0.00 176.83 176.60 2rjc h GLN 229 N 0.00 0.00 0.00 4.77 4.20 -1.60 -3.37 115.11 119.11 2rjc h GLN 229 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 2rjc h GLN 229 Cb 0.21 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 2rjc h GLN 229 CO 0.01 0.37 -2.19 0.00 -0.67 0.00 0.00 178.83 176.35 2rjc n ALA 230 N -2.25 1.51 -1.81 3.87 0.00 -0.85 -4.44 120.51 116.54 2rjc n ALA 230 Ca 0.01 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.86 2rjc n ALA 230 Cb 0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 2rjc n ALA 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rjc s VAL 231 N -2.53 2.46 -0.09 0.00 0.11 -0.85 -4.87 120.40 114.63 2rjc s VAL 231 Ca -0.08 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2rjc s VAL 231 Cb 0.07 -3.13 -0.08 0.00 -1.53 0.00 0.00 36.38 31.71 2rjc s VAL 231 CO 0.83 0.01 0.15 0.35 -3.33 0.00 0.00 175.10 173.11 2rjc n THR 232 N 4.28 0.00 1.22 5.04 -2.24 -1.26 -4.76 114.28 116.56 2rjc n THR 232 Ca 0.16 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2rjc n THR 232 Cb 0.38 0.58 0.48 0.00 -2.10 0.00 0.00 70.33 69.67 2rjc n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rjc n HIS 233 N -1.50 0.00 -2.69 4.78 1.44 -1.26 -4.63 115.22 111.36 2rjc n HIS 233 Ca -0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2rjc n HIS 233 Cb 0.12 -0.23 -0.04 0.00 0.12 0.00 0.00 29.99 29.97 2rjc n HIS 233 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2rjc s ASN 234 N -2.67 7.39 0.47 4.39 0.01 -1.26 -5.03 114.94 118.23 2rjc s ASN 234 Ca 0.22 1.75 -0.23 0.00 -0.71 0.00 0.00 52.86 53.89 2rjc s ASN 234 Cb 0.19 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.20 2rjc s ASN 234 CO 0.54 -0.21 1.20 -0.54 -1.51 0.00 0.00 177.10 176.58 2rjc s LYS 235 N 0.61 3.68 -0.58 -0.60 1.02 -1.26 -4.98 119.74 117.62 2rjc s LYS 235 Ca 0.51 1.85 -0.23 0.00 0.02 0.00 0.00 55.97 58.12 2rjc s LYS 235 Cb -0.23 -2.40 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2rjc s LYS 235 CO 0.29 -0.64 0.91 1.21 -0.92 0.00 0.00 175.35 176.20 2rjc s ASN 236 N -1.28 6.27 0.00 2.83 3.84 -1.26 -4.92 114.94 120.42 2rjc s ASN 236 Ca 0.64 -0.61 0.29 0.00 0.21 0.00 0.00 52.86 53.39 2rjc s ASN 236 Cb -0.31 -2.41 1.22 0.00 -0.55 0.00 0.00 41.25 39.20 2rjc s ASN 236 CO 0.37 -1.25 1.85 0.61 -2.79 0.00 0.00 177.10 175.89 2rjc n GLY 237 N 5.19 -0.86 3.74 1.21 0.00 -1.26 -4.89 105.19 108.31 2rjc n GLY 237 Ca -0.01 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2rjc n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rjc s PHE 238 N -2.42 3.02 0.11 1.61 0.08 -1.26 -5.01 117.98 114.12 2rjc s PHE 238 Ca 0.30 0.99 0.08 0.00 0.12 0.00 0.00 56.93 58.42 2rjc s PHE 238 Cb 0.20 -3.83 -0.04 0.00 -0.57 0.00 0.00 43.02 38.79 2rjc s PHE 238 CO 0.46 -2.73 -0.21 0.15 -0.10 0.00 0.00 175.22 172.79 2rjc s LYS 239 N -0.22 1.15 0.09 0.44 -0.14 -1.26 -4.98 119.74 114.82 2rjc s LYS 239 Ca 0.60 -1.20 -0.36 0.00 -1.36 0.00 0.00 55.97 53.65 2rjc s LYS 239 Cb -0.42 -1.38 -0.16 0.00 -1.68 0.00 0.00 37.83 34.19 2rjc s LYS 239 CO 0.42 0.32 1.43 1.28 -0.76 0.00 0.00 175.35 178.04 2rjc n LEU 240 N 0.96 2.14 0.00 3.17 4.77 -1.26 -1.84 117.00 124.94 2rjc n LEU 240 Ca -0.19 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2rjc n LEU 240 Cb 0.54 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2rjc n LEU 240 CO 0.23 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 2rjc n GLY 241 N 2.88 1.04 3.77 -0.72 0.00 0.49 -4.98 105.19 107.67 2rjc n GLY 241 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2rjc n GLY 241 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rjc s MET 242 N -0.25 4.04 -0.00 1.61 -1.94 -0.77 -4.48 119.30 117.51 2rjc s MET 242 Ca 0.00 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.95 2rjc s MET 242 Cb 0.00 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 2rjc s MET 242 CO 0.00 -0.37 0.05 0.15 -0.01 0.00 0.00 175.02 174.84 2rjc s LYS 243 N -2.24 2.97 0.00 2.03 1.02 -0.00 -1.43 119.74 122.08 2rjc s LYS 243 Ca 0.57 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2rjc s LYS 243 Cb -0.34 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2rjc s LYS 243 CO 0.43 0.64 0.00 1.47 -0.92 0.00 0.00 175.35 176.96 2rjc n LEU 244 N 1.23 0.00 -4.23 3.17 -0.00 0.44 -1.20 117.00 116.41 2rjc n LEU 244 Ca -0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.65 2rjc n LEU 244 Cb 0.53 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.82 2rjc n LEU 244 CO 0.37 0.00 -0.49 -1.61 -0.00 0.00 0.00 177.39 175.66 2rjc s GLU 245 N -1.33 1.06 -0.20 1.47 2.02 -0.54 -0.45 118.70 120.74 2rjc s GLU 245 Ca 0.00 -1.00 -0.36 0.00 0.02 0.00 0.00 54.97 53.64 2rjc s GLU 245 Cb 0.00 -1.19 0.14 0.00 0.10 0.00 0.00 34.13 33.18 2rjc s GLU 245 CO 0.00 0.28 1.23 0.20 0.02 0.00 0.00 175.26 177.00 2rjc s GLY 246 N -1.60 -0.28 0.49 -1.39 0.00 -0.83 -0.39 107.32 103.31 2rjc s GLY 246 Ca 0.04 1.62 -0.22 0.00 0.00 0.00 0.00 44.72 46.16 2rjc s GLY 246 CO 0.03 0.54 1.13 -0.26 0.00 0.00 0.00 173.10 174.54 2rjc s ILE 247 N -2.37 3.23 -0.28 0.90 -4.36 -0.81 -1.27 121.20 116.23 2rjc s ILE 247 Ca 0.10 0.85 -0.29 0.00 -0.26 0.00 0.00 60.65 61.05 2rjc s ILE 247 Cb -0.01 -3.40 -0.01 0.00 1.25 0.00 0.00 42.46 40.29 2rjc s ILE 247 CO -0.04 -0.08 1.43 -0.62 0.24 0.00 0.00 174.94 175.87 2rjc s ASP 248 N -1.56 6.52 0.54 4.36 -1.08 -0.96 -4.90 116.67 119.59 2rjc s ASP 248 Ca 0.67 1.32 0.32 0.00 -0.52 0.00 0.00 52.55 54.33 2rjc s ASP 248 Cb -0.25 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.15 2rjc s ASP 248 CO 0.30 -1.19 1.89 -0.65 0.52 0.00 0.00 175.17 176.05 2rjc h PRO 249 N 9.99 0.00 0.00 4.34 0.11 -1.94 -1.23 132.00 143.27 2rjc h PRO 249 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2rjc h PRO 249 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2rjc h PRO 249 CO 1.03 0.00 -0.48 1.96 -0.21 0.00 0.00 178.00 180.30 2rjc h GLN 250 N 0.00 0.00 -2.43 1.05 1.08 -1.98 -3.37 115.11 109.45 2rjc h GLN 250 Ca 0.42 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 57.03 2rjc h GLN 250 Cb 1.69 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.73 2rjc h GLN 250 CO -0.00 0.00 -0.89 0.72 -0.95 0.00 0.00 178.83 177.70 2rjc n HIS 251 N -2.59 0.37 0.15 2.96 8.25 -0.49 -4.74 115.22 119.13 2rjc n HIS 251 Ca 0.03 -3.62 0.08 0.00 -0.26 0.00 0.00 57.72 53.94 2rjc n HIS 251 Cb 0.50 -0.09 0.41 0.00 1.12 0.00 0.00 29.99 31.93 2rjc n HIS 251 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2rjc n PRO 252 N 2.24 0.10 0.00 -0.41 -0.02 -1.07 -1.49 135.00 134.36 2rjc n PRO 252 Ca 0.26 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 2rjc n PRO 252 Cb 0.46 -2.03 0.20 0.00 -0.02 0.00 0.00 33.50 32.11 2rjc n PRO 252 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2rjc n SER 253 N -2.07 1.24 -4.62 2.55 3.41 -1.26 -4.85 113.62 108.00 2rjc n SER 253 Ca -0.01 -0.99 -0.34 0.00 -0.26 0.00 0.00 58.87 57.27 2rjc n SER 253 Cb 0.22 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 2rjc n SER 253 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2rjc s MET 254 N -2.61 2.77 -0.05 4.33 -1.94 -0.55 -4.96 119.30 116.28 2rjc s MET 254 Ca 0.19 -0.56 0.05 0.00 -1.71 0.00 0.00 55.69 53.67 2rjc s MET 254 Cb 0.18 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 2rjc s MET 254 CO 0.59 0.66 -0.20 0.71 -0.01 0.00 0.00 175.02 176.77 2rjc s TYR 255 N -0.91 2.54 0.16 -0.03 2.02 -1.25 -2.26 117.35 117.63 2rjc s TYR 255 Ca 0.15 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 2rjc s TYR 255 Cb -0.11 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2rjc s TYR 255 CO 0.04 -0.02 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.82 2rjc s PHE 256 N -0.45 1.44 -0.13 2.71 0.08 -0.40 -0.40 117.98 120.82 2rjc s PHE 256 Ca 0.05 -0.65 -0.26 0.00 0.12 0.00 0.00 56.93 56.19 2rjc s PHE 256 Cb -0.12 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2rjc s PHE 256 CO 0.01 0.19 0.86 0.42 -0.10 0.00 0.00 175.22 176.60 2rjc s ILE 257 N -2.90 4.88 0.09 0.64 1.01 -1.26 -1.96 121.20 121.70 2rjc s ILE 257 Ca 0.16 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.62 2rjc s ILE 257 Cb -0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2rjc s ILE 257 CO 0.03 0.06 -0.23 -0.76 0.00 0.00 0.00 174.94 174.04 2rjc s LEU 258 N 1.89 2.26 -0.01 2.97 1.43 0.41 -2.22 118.68 125.41 2rjc s LEU 258 Ca 0.41 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2rjc s LEU 258 Cb -0.17 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 2rjc s LEU 258 CO 0.15 0.13 -0.25 -0.89 0.23 0.00 0.00 176.35 175.72 2rjc s THR 259 N -1.01 2.02 -0.39 5.49 2.01 -0.51 -0.42 115.64 122.83 2rjc s THR 259 Ca 0.09 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 60.68 2rjc s THR 259 Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2rjc s THR 259 CO 0.04 0.53 2.01 -0.69 -0.69 0.00 0.00 174.62 175.81 2rjc s VAL 260 N -0.63 3.27 -0.01 3.82 1.01 -0.51 -0.39 120.40 126.95 2rjc s VAL 260 Ca 0.10 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2rjc s VAL 260 Cb -0.10 -3.46 -0.24 0.00 0.00 0.00 0.00 36.38 32.58 2rjc s VAL 260 CO -0.00 -0.36 0.78 0.00 0.00 0.00 0.00 175.10 175.52 2rjc h ALA 261 N 14.95 0.54 -2.03 5.51 0.00 -1.04 0.14 119.26 137.33 2rjc h ALA 261 Ca -0.32 -1.28 -0.06 0.00 0.00 0.00 0.00 54.91 53.25 2rjc h ALA 261 Cb 1.20 0.35 -0.19 0.00 0.00 0.00 0.00 17.79 19.15 2rjc h ALA 261 CO 1.08 1.39 0.17 -2.00 0.00 0.00 0.00 179.25 179.90 2rjc s GLU 262 N -2.62 1.05 -0.04 0.00 2.12 -1.15 -4.91 118.70 113.15 2rjc s GLU 262 Ca -0.07 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.52 2rjc s GLU 262 Cb 0.08 0.49 0.01 0.00 0.26 0.00 0.00 34.13 34.97 2rjc s GLU 262 CO 0.82 -0.33 -0.11 0.08 -0.54 0.00 0.00 175.26 175.19 2rjc s VAL 263 N -1.24 0.94 -0.22 3.70 1.01 -1.26 -1.06 120.40 122.27 2rjc s VAL 263 Ca -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2rjc s VAL 263 Cb -0.00 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2rjc s VAL 263 CO 0.09 0.29 0.09 0.00 0.00 0.00 0.00 175.10 175.58 2rjc n GLY 265 N 5.19 3.14 1.29 0.00 0.00 -1.22 -1.78 105.19 111.80 2rjc n GLY 265 Ca -0.07 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.79 2rjc n GLY 265 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2rjc n TYR 266 N 13.71 1.17 -4.42 1.61 9.36 -1.24 -4.70 117.16 132.64 2rjc n TYR 266 Ca 0.00 -0.46 -0.23 0.00 3.32 0.00 0.00 57.90 60.53 2rjc n TYR 266 Cb 0.00 -0.35 -0.10 0.00 -0.63 0.00 0.00 39.34 38.26 2rjc n TYR 266 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2rjc s ARG 267 N -1.93 1.55 -0.01 2.98 0.52 -0.73 -0.56 118.95 120.76 2rjc s ARG 267 Ca 0.29 -1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 53.75 2rjc s ARG 267 Cb 0.23 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 34.12 2rjc s ARG 267 CO 0.08 0.29 0.15 -0.48 0.02 0.00 0.00 175.30 175.37 2rjc s LEU 268 N -3.33 1.48 -0.23 2.53 2.34 -0.21 -1.31 118.68 119.94 2rjc s LEU 268 Ca 0.26 -0.12 -0.12 0.00 0.06 0.00 0.00 54.13 54.21 2rjc s LEU 268 Cb -0.04 0.71 -0.05 0.00 -0.56 0.00 0.00 46.19 46.25 2rjc s LEU 268 CO 0.12 -0.34 0.21 -0.60 -1.06 0.00 0.00 176.35 174.68 2rjc s ARG 269 N -1.21 4.08 -0.07 1.48 3.52 -0.23 -1.50 118.95 125.02 2rjc s ARG 269 Ca -0.13 -0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2rjc s ARG 269 Cb -0.07 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2rjc s ARG 269 CO 0.02 0.03 0.03 -0.51 -0.81 0.00 0.00 175.30 174.05 2rjc s LEU 270 N 1.15 3.70 -0.06 -0.88 1.43 0.07 -0.37 118.68 123.74 2rjc s LEU 270 Ca 0.10 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 2rjc s LEU 270 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2rjc s LEU 270 CO 0.05 0.36 -0.20 -2.28 0.23 0.00 0.00 176.35 174.52 2rjc s HIS 271 N -0.95 2.56 -0.48 0.29 5.65 0.48 -2.36 115.29 120.47 2rjc s HIS 271 Ca 0.15 -0.45 -0.27 0.00 0.25 0.00 0.00 55.06 54.74 2rjc s HIS 271 Cb -0.11 -1.62 0.03 0.00 -1.18 0.00 0.00 32.58 29.69 2rjc s HIS 271 CO 0.04 -0.04 1.04 -0.06 -0.65 0.00 0.00 174.74 175.08 2rjc s PHE 272 N -0.39 2.85 0.16 3.88 0.08 -1.26 -1.42 117.98 121.87 2rjc s PHE 272 Ca 0.04 0.52 -0.34 0.00 0.12 0.00 0.00 56.93 57.26 2rjc s PHE 272 Cb -0.12 -4.22 -0.15 0.00 -0.57 0.00 0.00 43.02 37.96 2rjc s PHE 272 CO 0.02 -1.22 1.44 -0.25 -0.10 0.00 0.00 175.22 175.11 2rjc n ASP 273 N 7.56 2.45 0.00 1.36 9.92 -0.94 -1.89 116.55 135.01 2rjc n ASP 273 Ca 0.09 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 2rjc n ASP 273 Cb 0.49 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 2rjc n ASP 273 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rjc n GLY 274 N 2.79 2.93 3.97 0.44 0.00 -1.26 -2.36 105.19 111.69 2rjc n GLY 274 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2rjc n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rjc s TYR 275 N -2.10 2.24 0.35 1.61 2.02 -0.79 -4.62 117.35 116.07 2rjc s TYR 275 Ca 0.00 0.02 -0.27 0.00 -0.37 0.00 0.00 57.07 56.44 2rjc s TYR 275 Cb 0.00 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 2rjc s TYR 275 CO 0.00 -1.50 1.20 0.45 -1.57 0.00 0.00 175.55 174.13 2rjc s SER 276 N -4.62 6.77 0.59 2.29 0.15 -1.26 -4.85 113.70 112.78 2rjc s SER 276 Ca 0.63 2.44 0.31 0.00 0.70 0.00 0.00 55.95 60.03 2rjc s SER 276 Cb -0.08 -2.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.84 2rjc s SER 276 CO 0.44 -0.51 1.55 1.05 1.20 0.00 0.00 173.24 176.97 2rjc h GLU 277 N 3.15 0.00 0.00 5.44 4.11 -1.98 -2.82 114.58 122.48 2rjc h GLU 277 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 2rjc h GLU 277 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2rjc h GLU 277 CO 0.64 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.71 2rjc n HIS 279 N -3.33 0.11 -1.98 0.00 8.25 -1.07 -4.99 115.22 112.21 2rjc n HIS 279 Ca -0.03 -0.05 -0.38 0.00 -0.26 0.00 0.00 57.72 57.00 2rjc n HIS 279 Cb 0.11 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.23 2rjc n HIS 279 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2rjc s ASP 280 N -1.82 5.77 0.10 0.41 1.11 -0.74 -4.86 116.67 116.64 2rjc s ASP 280 Ca 0.35 2.60 0.02 0.00 0.18 0.00 0.00 52.55 55.71 2rjc s ASP 280 Cb 0.20 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2rjc s ASP 280 CO 0.31 -1.22 -0.07 0.72 1.18 0.00 0.00 175.17 176.09 2rjc s PHE 281 N -1.37 0.95 -0.12 4.23 -0.12 -1.00 -4.95 117.98 115.60 2rjc s PHE 281 Ca 0.66 -0.85 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 2rjc s PHE 281 Cb -0.36 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.46 2rjc s PHE 281 CO 0.44 -0.10 0.07 -1.58 -0.05 0.00 0.00 175.22 174.00 2rjc s TRP 282 N -3.39 3.36 0.22 3.49 0.52 -1.26 -0.75 118.94 121.13 2rjc s TRP 282 Ca 0.11 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.56 2rjc s TRP 282 Cb 0.04 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 2rjc s TRP 282 CO -0.03 0.51 0.03 0.14 0.02 0.00 0.00 176.95 177.61 2rjc s VAL 283 N -0.66 0.81 0.44 4.03 -7.23 -0.56 -5.00 120.40 112.22 2rjc s VAL 283 Ca 0.12 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 2rjc s VAL 283 Cb -0.12 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2rjc s VAL 283 CO 0.02 -0.27 0.77 0.20 -0.31 0.00 0.00 175.10 175.51 2rjc s ASN 284 N -3.27 6.40 0.55 4.85 0.02 -1.26 -1.04 114.94 121.18 2rjc s ASN 284 Ca 0.30 1.03 0.32 0.00 -1.02 0.00 0.00 52.86 53.49 2rjc s ASN 284 Cb 0.06 -2.29 1.57 0.00 0.02 0.00 0.00 41.25 40.62 2rjc s ASN 284 CO 0.09 -0.48 2.09 0.00 0.02 0.00 0.00 177.10 178.82 2rjc h ALA 285 N 0.81 1.15 -0.45 0.60 0.00 -1.17 -1.23 119.26 118.98 2rjc h ALA 285 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2rjc h ALA 285 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2rjc h ALA 285 CO 0.63 0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.25 2rjc n ASN 286 N -3.40 4.33 -4.65 0.00 6.94 -1.26 -4.77 115.26 112.45 2rjc n ASN 286 Ca -0.01 -2.60 -0.48 0.00 -0.02 0.00 0.00 54.58 51.47 2rjc n ASN 286 Cb 0.24 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 37.00 2rjc n ASN 286 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2rjc n SER 287 N 0.55 2.71 -0.08 0.53 2.88 -0.47 -4.80 113.62 114.95 2rjc n SER 287 Ca 0.20 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 58.99 2rjc n SER 287 Cb 0.89 -1.36 0.81 0.00 -0.75 0.00 0.00 64.21 63.81 2rjc n SER 287 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2rjc n PRO 288 N 3.23 0.95 -0.30 -1.46 -0.04 -1.26 -4.04 135.00 132.08 2rjc n PRO 288 Ca 0.17 -0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2rjc n PRO 288 Cb 0.26 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 2rjc n PRO 288 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rjc n ASP 289 N -0.88 3.44 -4.26 3.54 8.00 -1.26 -4.76 116.55 120.37 2rjc n ASP 289 Ca 0.20 -1.99 -0.16 0.00 0.71 0.00 0.00 54.79 53.55 2rjc n ASP 289 Cb 0.19 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 2rjc n ASP 289 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2rjc s ILE 290 N -1.21 1.32 0.03 0.53 -4.36 -1.26 -1.92 121.20 114.34 2rjc s ILE 290 Ca 0.43 -1.93 -0.12 0.00 -0.26 0.00 0.00 60.65 58.77 2rjc s ILE 290 Cb 0.23 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 42.22 2rjc s ILE 290 CO 0.30 -0.58 0.26 -1.00 0.24 0.00 0.00 174.94 174.16 2rjc s HIS 291 N -2.75 -0.05 0.64 1.37 3.76 0.47 -4.61 115.29 114.12 2rjc s HIS 291 Ca 0.14 -0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.79 2rjc s HIS 291 Cb -0.01 0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.72 2rjc s HIS 291 CO 0.03 -0.46 1.21 -1.25 -0.85 0.00 0.00 174.74 173.42 2rjc s PRO 292 N -2.39 2.67 0.02 8.40 0.04 -1.26 -1.46 135.00 141.02 2rjc s PRO 292 Ca -0.06 1.80 -0.38 0.00 0.04 0.00 0.00 61.00 62.41 2rjc s PRO 292 Cb -0.02 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 2rjc s PRO 292 CO -0.03 -1.44 1.38 0.00 0.04 0.00 0.00 177.00 176.95 2rjc n ALA 293 N -2.02 -1.09 0.00 8.56 0.00 -1.26 -1.30 120.51 123.40 2rjc n ALA 293 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2rjc n ALA 293 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2rjc n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjc n GLY 294 N 2.69 0.50 0.22 0.00 0.00 -1.26 -4.97 105.19 102.36 2rjc n GLY 294 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 2rjc n GLY 294 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2rjc h TRP 295 N 0.00 0.66 -0.56 1.61 7.01 -1.55 -2.92 115.95 120.20 2rjc h TRP 295 Ca 0.00 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.09 2rjc h TRP 295 Cb 0.00 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 26.78 2rjc h TRP 295 CO 0.00 0.40 0.24 0.27 -2.79 0.00 0.00 178.44 176.56 2rjc h PHE 296 N 0.70 0.43 0.00 2.65 -5.15 -1.85 -2.31 116.94 111.41 2rjc h PHE 296 Ca 0.21 0.03 -0.10 0.00 -0.20 0.00 0.00 57.97 57.90 2rjc h PHE 296 Cb -0.04 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 36.01 2rjc h PHE 296 CO -0.05 0.16 -0.49 1.49 -2.00 0.00 0.00 178.31 177.42 2rjc h GLU 297 N 0.45 0.00 -0.00 6.09 4.22 -1.73 -1.79 114.58 121.81 2rjc h GLU 297 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.71 2rjc h GLU 297 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2rjc h GLU 297 CO -0.24 0.49 -0.20 1.63 -2.18 0.00 0.00 179.01 178.52 2rjc n LYS 298 N -3.85 0.32 0.00 1.92 5.02 -0.90 -4.35 118.16 116.32 2rjc n LYS 298 Ca -0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2rjc n LYS 298 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2rjc n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2rjc n THR 299 N -1.24 0.10 -1.71 -0.18 -2.24 -1.04 -5.05 114.28 102.92 2rjc n THR 299 Ca 0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2rjc n THR 299 Cb 0.31 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 2rjc n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rjc n GLY 300 N -0.05 0.69 3.59 3.38 0.00 -1.08 -5.06 105.19 106.67 2rjc n GLY 300 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2rjc n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rjc s HIS 301 N -2.11 2.88 0.02 1.61 3.76 -0.70 -5.07 115.29 115.68 2rjc s HIS 301 Ca 0.00 -0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.59 2rjc s HIS 301 Cb 0.00 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2rjc s HIS 301 CO 0.00 0.36 0.90 0.15 -0.85 0.00 0.00 174.74 175.30 2rjc s LYS 302 N -1.31 4.56 -0.19 1.40 1.02 -1.26 -4.43 119.74 119.53 2rjc s LYS 302 Ca 0.16 1.28 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 2rjc s LYS 302 Cb -0.11 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2rjc s LYS 302 CO 0.06 0.08 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.37 2rjc s LEU 303 N 0.60 3.12 0.27 3.17 2.96 -1.26 -3.84 118.68 123.69 2rjc s LEU 303 Ca 0.46 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 2rjc s LEU 303 Cb -0.21 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.61 2rjc s LEU 303 CO 0.26 0.07 1.21 -1.10 -1.32 0.00 0.00 176.35 175.47 2rjc s GLN 304 N 0.98 4.49 0.83 1.98 -1.52 0.46 -5.01 119.66 121.87 2rjc s GLN 304 Ca 0.01 1.99 -0.10 0.00 -1.95 0.00 0.00 55.36 55.30 2rjc s GLN 304 Cb -0.14 -3.16 0.09 0.00 -0.22 0.00 0.00 33.01 29.58 2rjc s GLN 304 CO 0.01 -0.03 1.11 -2.14 -0.25 0.00 0.00 175.29 173.99 2rjc s PRO 305 N -1.16 1.76 0.63 2.91 0.02 -1.26 -4.10 135.00 133.80 2rjc s PRO 305 Ca 0.49 1.33 -0.19 0.00 0.02 0.00 0.00 61.00 62.65 2rjc s PRO 305 Cb -0.35 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 2rjc s PRO 305 CO 0.44 -2.04 1.26 -2.30 -0.33 0.00 0.00 177.00 174.03 2rjc n PRO 306 N -3.80 1.16 -1.66 5.54 -0.02 -1.26 -4.84 135.00 130.13 2rjc n PRO 306 Ca 0.10 0.45 -0.49 0.00 -2.02 0.00 0.00 63.50 61.54 2rjc n PRO 306 Cb 0.53 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 2rjc n PRO 306 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2rjc n LYS 307 N -1.66 1.79 -1.07 -0.52 4.81 -1.00 -1.73 118.16 118.79 2rjc n LYS 307 Ca 0.15 0.65 -0.03 0.00 -0.87 0.00 0.00 58.31 58.21 2rjc n LYS 307 Cb 0.47 -2.40 -0.01 0.00 0.02 0.00 0.00 35.03 33.11 2rjc n LYS 307 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rjc n GLY 308 N 3.55 0.53 0.00 3.14 0.00 -1.26 -4.73 105.19 106.41 2rjc n GLY 308 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rjc n GLY 308 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2rjc n TYR 309 N -2.66 0.00 -0.69 1.61 9.36 -0.71 -5.22 117.16 118.85 2rjc n TYR 309 Ca -0.03 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.92 2rjc n TYR 309 Cb 0.22 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.89 2rjc n TYR 309 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2rjc n GLU 313 N 0.00 0.00 -3.19 2.98 2.13 -1.26 -5.06 120.64 116.24 2rjc n GLU 313 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2rjc n GLU 313 Cb 0.00 -0.68 -0.05 0.00 0.27 0.00 0.00 31.44 30.97 2rjc n GLU 313 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2rjc s PHE 314 N 0.08 3.55 -0.12 4.31 5.36 -1.26 -5.09 117.98 124.80 2rjc s PHE 314 Ca 0.42 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2rjc s PHE 314 Cb -0.58 -2.66 0.01 0.00 -0.34 0.00 0.00 43.02 39.44 2rjc s PHE 314 CO 0.27 0.14 -0.23 0.45 -1.46 0.00 0.00 175.22 174.39 2rjc s SER 315 N 0.67 3.11 0.23 6.13 0.15 -1.26 -5.04 113.70 117.70 2rjc s SER 315 Ca 0.31 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 56.31 2rjc s SER 315 Cb -0.16 -1.43 0.29 0.00 -1.71 0.00 0.00 66.02 63.00 2rjc s SER 315 CO 0.14 0.12 1.84 -0.50 1.20 0.00 0.00 173.24 176.03 2rjc h TRP 316 N 7.05 0.87 -0.41 3.44 4.06 -1.98 -0.36 115.95 128.63 2rjc h TRP 316 Ca -0.27 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.69 2rjc h TRP 316 Cb 1.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.07 2rjc h TRP 316 CO 0.47 0.44 0.19 0.66 -3.56 0.00 0.00 178.44 176.64 2rjc h SER 317 N 0.87 0.54 -0.70 -3.49 4.64 -1.99 -1.00 113.55 112.42 2rjc h SER 317 Ca 0.34 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 2rjc h SER 317 Cb 0.16 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 2rjc h SER 317 CO -0.17 0.53 0.29 -0.61 -0.87 0.00 0.00 176.83 176.00 2rjc h GLN 318 N 0.52 1.05 -0.33 4.77 4.15 -1.97 -2.23 115.11 121.07 2rjc h GLN 318 Ca 0.14 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 2rjc h GLN 318 Cb 0.14 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2rjc h GLN 318 CO -0.02 0.86 -0.32 -0.92 -1.93 0.00 0.00 178.83 176.50 2rjc h TYR 319 N 1.00 0.83 -0.06 3.99 3.20 -0.82 -0.37 116.97 124.75 2rjc h TYR 319 Ca 0.24 -0.22 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 2rjc h TYR 319 Cb 0.20 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2rjc h TYR 319 CO 0.01 0.95 -0.67 -0.07 -1.64 0.00 0.00 178.16 176.74 2rjc h LEU 320 N 0.60 0.28 -0.25 2.82 3.38 -1.14 -1.14 115.31 119.88 2rjc h LEU 320 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2rjc h LEU 320 Cb 0.84 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2rjc h LEU 320 CO 0.07 0.87 -0.16 -0.09 0.09 0.00 0.00 178.44 179.22 2rjc h ARG 321 N 0.17 0.55 -0.17 1.13 2.43 -1.19 0.30 114.38 117.61 2rjc h ARG 321 Ca -0.02 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2rjc h ARG 321 Cb 1.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2rjc h ARG 321 CO 0.10 0.83 0.11 0.77 -1.51 0.00 0.00 179.97 180.27 2rjc h SER 322 N 0.26 0.20 1.32 -3.80 0.02 -0.96 -3.27 113.55 107.32 2rjc h SER 322 Ca 0.05 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2rjc h SER 322 Cb 0.69 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2rjc h SER 322 CO 0.04 0.16 -0.61 0.71 -1.14 0.00 0.00 176.83 176.00 2rjc h THR 323 N 0.21 0.00 -5.63 -2.27 1.35 -1.18 -3.48 112.91 101.92 2rjc h THR 323 Ca 0.06 -0.93 -0.38 0.00 -0.55 0.00 0.00 66.41 64.61 2rjc h THR 323 Cb -0.00 1.61 -0.11 0.00 -1.73 0.00 0.00 68.15 67.92 2rjc h THR 323 CO -0.01 0.00 -0.56 0.54 -0.25 0.00 0.00 175.52 175.23 2rjc n ARG 324 N -2.74 -3.12 -2.56 4.72 3.00 0.11 -4.98 116.66 111.08 2rjc n ARG 324 Ca 0.02 0.41 -0.24 0.00 -0.01 0.00 0.00 57.85 58.03 2rjc n ARG 324 Cb 0.53 -5.09 0.03 0.00 0.00 0.00 0.00 32.46 27.93 2rjc n ARG 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rjc s ALA 325 N -2.91 3.53 -0.18 7.54 0.00 -1.20 -5.05 121.76 123.48 2rjc s ALA 325 Ca 0.43 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 2rjc s ALA 325 Cb -0.23 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2rjc s ALA 325 CO 0.53 -0.78 0.09 -1.14 0.00 0.00 0.00 175.76 174.46 2rjc s GLN 326 N -4.88 3.95 0.11 0.00 0.74 -1.26 -4.87 119.66 113.45 2rjc s GLN 326 Ca 0.55 -0.28 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 2rjc s GLN 326 Cb -0.10 -3.27 -0.07 0.00 1.10 0.00 0.00 33.01 30.67 2rjc s GLN 326 CO 0.42 0.36 1.26 0.00 -0.55 0.00 0.00 175.29 176.78 2rjc s ALA 327 N 0.14 3.47 0.06 1.58 0.00 -1.26 -0.82 121.76 124.93 2rjc s ALA 327 Ca 0.07 0.97 -0.36 0.00 0.00 0.00 0.00 51.96 52.64 2rjc s ALA 327 Cb -0.12 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 2rjc s ALA 327 CO -0.00 -0.48 1.49 0.00 0.00 0.00 0.00 175.76 176.77 2rjc n ALA 328 N 3.51 -0.07 -1.70 0.00 0.00 -0.34 -4.80 120.51 117.10 2rjc n ALA 328 Ca 0.08 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2rjc n ALA 328 Cb 0.45 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 2rjc n ALA 328 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2rjc n PRO 329 N 3.33 2.15 -0.31 0.00 -0.02 -1.26 -4.67 135.00 134.22 2rjc n PRO 329 Ca 0.19 0.75 0.20 0.00 -2.02 0.00 0.00 63.50 62.62 2rjc n PRO 329 Cb 0.22 -2.36 0.46 0.00 -0.02 0.00 0.00 33.50 31.80 2rjc n PRO 329 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2rjc h LYS 330 N 2.53 0.47 0.00 -0.52 1.57 -1.98 -2.74 116.57 115.90 2rjc h LYS 330 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2rjc h LYS 330 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2rjc h LYS 330 CO 0.62 0.31 0.00 1.12 -0.57 0.00 0.00 179.45 180.94 2rjc h HIS 331 N 0.49 0.00 0.00 -1.35 2.07 -2.02 -2.06 115.15 112.27 2rjc h HIS 331 Ca 0.57 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.07 2rjc h HIS 331 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 2rjc h HIS 331 CO -0.00 0.00 -0.06 -0.07 -3.07 0.00 0.00 177.93 174.73 2rjc h LEU 332 N 0.00 0.00 -9.07 6.12 3.38 -1.86 -3.45 115.31 110.43 2rjc h LEU 332 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2rjc h LEU 332 Cb 0.35 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 2rjc h LEU 332 CO 0.00 0.06 -0.24 -0.36 0.09 0.00 0.00 178.44 177.99 2rjc s PHE 333 N -3.98 3.33 0.25 1.13 0.08 -0.78 -4.88 117.98 113.13 2rjc s PHE 333 Ca -0.02 0.51 0.19 0.00 0.12 0.00 0.00 56.93 57.73 2rjc s PHE 333 Cb 0.12 -2.51 0.79 0.00 -0.57 0.00 0.00 43.02 40.84 2rjc s PHE 333 CO 0.53 -0.07 1.80 -0.39 -0.10 0.00 0.00 175.22 176.99 2rjc h VAL 334 N 5.14 0.93 -3.78 -0.44 -1.51 -1.86 -3.41 116.25 111.32 2rjc h VAL 334 Ca -0.35 -1.36 -0.67 0.00 -1.23 0.00 0.00 66.70 63.10 2rjc h VAL 334 Cb 1.16 1.81 -0.37 0.00 -2.13 0.00 0.00 31.29 31.76 2rjc h VAL 334 CO 0.69 0.34 -0.75 -0.55 -1.23 0.00 0.00 177.57 176.07 2rjc s SER 335 N -6.51 4.66 -0.04 4.19 0.15 -1.26 -4.92 113.70 109.97 2rjc s SER 335 Ca -0.01 -1.62 0.06 0.00 0.70 0.00 0.00 55.95 55.08 2rjc s SER 335 Cb 0.12 -1.61 0.09 0.00 -1.71 0.00 0.00 66.02 62.91 2rjc s SER 335 CO 0.68 -0.27 0.99 0.00 1.20 0.00 0.00 173.24 175.83 2rjc n GLN 336 N 4.42 1.85 -3.00 5.44 6.02 -1.26 -4.58 117.38 126.28 2rjc n GLN 336 Ca -0.08 -1.68 -0.19 0.00 -0.01 0.00 0.00 57.00 55.03 2rjc n GLN 336 Cb 0.42 -1.06 0.04 0.00 1.02 0.00 0.00 30.24 30.66 2rjc n GLN 336 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2rjc n SER 337 N -0.70 -5.55 -0.04 1.08 7.64 -1.26 -4.94 113.62 109.86 2rjc n SER 337 Ca 0.05 -0.28 0.01 0.00 1.01 0.00 0.00 58.87 59.66 2rjc n SER 337 Cb 0.44 -4.35 -0.12 0.00 -1.01 0.00 0.00 64.21 59.17 2rjc n SER 337 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2rjc n HIS 338 N -4.40 0.00 -2.52 1.43 -0.00 -1.26 -4.85 115.22 103.63 2rjc n HIS 338 Ca -0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.37 2rjc n HIS 338 Cb 0.60 -0.53 0.01 0.00 -0.00 0.00 0.00 29.99 30.07 2rjc n HIS 338 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2rjc s SER 339 N -4.29 5.98 0.19 0.41 1.04 -1.26 -5.03 113.70 110.74 2rjc s SER 339 Ca -0.07 0.84 -0.33 0.00 0.48 0.00 0.00 55.95 56.88 2rjc s SER 339 Cb 0.08 -2.02 -0.14 0.00 0.10 0.00 0.00 66.02 64.04 2rjc s SER 339 CO 0.64 -0.79 1.49 -2.65 0.98 0.00 0.00 173.24 172.92 2rjc n PRO 340 N -2.41 2.05 -0.78 4.02 -0.02 -1.26 -4.59 135.00 132.01 2rjc n PRO 340 Ca 0.02 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 2rjc n PRO 340 Cb 0.56 -2.45 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 2rjc n PRO 340 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2rjc s PRO 341 N 0.35 0.05 -0.38 0.52 0.02 -1.25 -4.06 135.00 130.25 2rjc s PRO 341 Ca 0.75 0.95 -0.28 0.00 0.02 0.00 0.00 61.00 62.44 2rjc s PRO 341 Cb -0.68 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 2rjc s PRO 341 CO 0.43 -3.10 2.02 -1.25 -0.33 0.00 0.00 177.00 174.77 2rjc s PRO 342 N -4.65 2.94 -0.47 5.54 0.04 -1.23 -4.86 135.00 132.31 2rjc s PRO 342 Ca 0.67 1.43 -0.44 0.00 0.04 0.00 0.00 61.00 62.70 2rjc s PRO 342 Cb -0.22 -4.34 -0.18 0.00 0.04 0.00 0.00 34.50 29.79 2rjc s PRO 342 CO 0.61 -2.32 1.93 1.28 0.04 0.00 0.00 177.00 178.54 2rjc n LEU 343 N 12.06 1.17 0.00 -3.56 4.77 -1.26 -1.75 117.00 128.43 2rjc n LEU 343 Ca 0.27 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 2rjc n LEU 343 Cb 0.49 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2rjc n LEU 343 CO 0.69 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 2rjc n GLY 344 N 5.98 1.80 3.27 -0.72 0.00 -1.26 -4.78 105.19 109.47 2rjc n GLY 344 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 2rjc n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rjc s PHE 345 N -2.49 3.35 0.01 1.61 0.08 -0.72 -4.34 117.98 115.48 2rjc s PHE 345 Ca 0.00 -1.57 -0.01 0.00 0.12 0.00 0.00 56.93 55.47 2rjc s PHE 345 Cb 0.00 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.00 2rjc s PHE 345 CO 0.00 -0.95 0.14 -0.65 -0.10 0.00 0.00 175.22 173.67 2rjc s GLN 346 N 1.46 3.26 0.22 0.44 -1.52 -1.26 -4.75 119.66 117.51 2rjc s GLN 346 Ca 0.04 -0.42 -0.31 0.00 -1.95 0.00 0.00 55.36 52.72 2rjc s GLN 346 Cb -0.26 -2.98 -0.15 0.00 -0.22 0.00 0.00 33.01 29.40 2rjc s GLN 346 CO 0.02 0.65 1.11 0.28 -0.25 0.00 0.00 175.29 177.10 2rjc n VAL 347 N 0.92 1.29 0.00 1.09 0.31 -1.26 -1.80 118.33 118.87 2rjc n VAL 347 Ca -0.11 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2rjc n VAL 347 Cb 0.52 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2rjc n VAL 347 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rjc n GLY 348 N 1.76 3.26 3.77 2.92 0.00 0.35 -5.02 105.19 112.22 2rjc n GLY 348 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2rjc n GLY 348 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rjc s MET 349 N -0.57 2.48 0.31 1.61 -1.94 -0.75 -4.55 119.30 115.89 2rjc s MET 349 Ca 0.00 1.29 0.10 0.00 -1.71 0.00 0.00 55.69 55.37 2rjc s MET 349 Cb 0.00 -1.92 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 2rjc s MET 349 CO 0.00 -1.49 -0.14 0.15 -0.01 0.00 0.00 175.02 173.54 2rjc s LYS 350 N -4.51 1.74 0.07 2.03 1.02 -0.44 -0.99 119.74 118.66 2rjc s LYS 350 Ca 0.64 -1.85 -0.14 0.00 0.02 0.00 0.00 55.97 54.63 2rjc s LYS 350 Cb -0.19 -1.69 0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2rjc s LYS 350 CO 0.49 0.21 0.68 1.47 -0.92 0.00 0.00 175.35 177.28 2rjc n LEU 351 N -0.70 0.00 -4.33 3.17 -0.00 -0.37 -1.22 117.00 113.55 2rjc n LEU 351 Ca -0.05 -0.70 -0.32 0.00 -0.00 0.00 0.00 56.01 54.93 2rjc n LEU 351 Cb 0.62 1.55 -0.15 0.00 -0.00 0.00 0.00 43.42 45.43 2rjc n LEU 351 CO 0.41 -0.23 -0.50 -1.61 -0.00 0.00 0.00 177.39 175.46 2rjc s GLU 352 N -2.02 2.98 -0.00 1.47 2.02 -0.36 -0.97 118.70 121.81 2rjc s GLU 352 Ca 0.15 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2rjc s GLU 352 Cb -0.01 -2.41 -0.00 0.00 0.10 0.00 0.00 34.13 31.80 2rjc s GLU 352 CO 0.02 0.31 -0.03 0.00 0.02 0.00 0.00 175.26 175.59 2rjc s ALA 353 N 0.05 0.26 0.11 5.21 0.00 -0.32 -0.02 121.76 127.06 2rjc s ALA 353 Ca -0.07 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 2rjc s ALA 353 Cb -0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 2rjc s ALA 353 CO 0.05 0.06 1.46 0.08 0.00 0.00 0.00 175.76 177.41 2rjc s VAL 354 N -0.04 3.15 -0.40 0.00 1.01 0.19 -0.72 120.40 123.60 2rjc s VAL 354 Ca 0.01 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 2rjc s VAL 354 Cb -0.02 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2rjc s VAL 354 CO -0.00 0.05 1.38 -0.62 0.00 0.00 0.00 175.10 175.91 2rjc s ASP 355 N 1.28 6.41 0.53 3.32 -1.08 -0.03 -4.89 116.67 122.22 2rjc s ASP 355 Ca 0.67 0.88 0.31 0.00 -0.52 0.00 0.00 52.55 53.88 2rjc s ASP 355 Cb -0.38 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 39.96 2rjc s ASP 355 CO 0.30 -1.36 2.02 0.03 0.52 0.00 0.00 175.17 176.68 2rjc h ARG 356 N 10.39 0.00 0.03 4.34 2.47 -1.89 -1.26 114.38 128.46 2rjc h ARG 356 Ca -0.27 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.23 2rjc h ARG 356 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 2rjc h ARG 356 CO 1.08 0.09 -1.00 0.52 0.56 0.00 0.00 179.97 181.23 2rjc h MET 357 N 0.00 0.12 -2.26 0.04 2.86 -1.92 -3.39 114.93 110.38 2rjc h MET 357 Ca -0.00 -0.17 -0.58 0.00 -2.06 0.00 0.00 59.70 56.89 2rjc h MET 357 Cb 0.45 0.06 -0.40 0.00 0.06 0.00 0.00 31.60 31.77 2rjc h MET 357 CO 0.01 1.01 -0.89 0.09 1.06 0.00 0.00 176.91 178.20 2rjc n ASN 358 N -3.51 1.24 0.00 1.22 3.02 -0.55 -5.02 115.26 111.66 2rjc n ASN 358 Ca -0.03 -2.87 0.05 0.00 -0.03 0.00 0.00 54.58 51.70 2rjc n ASN 358 Cb 0.90 -0.64 0.26 0.00 -0.61 0.00 0.00 39.78 39.69 2rjc n ASN 358 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rjc n PRO 359 N 1.66 0.20 0.00 3.52 -0.02 -0.79 -1.09 135.00 138.49 2rjc n PRO 359 Ca 0.25 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2rjc n PRO 359 Cb 0.47 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.89 2rjc n PRO 359 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2rjc n SER 360 N -1.17 0.73 -4.57 2.55 3.41 -1.26 -4.80 113.62 108.51 2rjc n SER 360 Ca 0.06 -0.64 -0.38 0.00 -0.26 0.00 0.00 58.87 57.65 2rjc n SER 360 Cb 0.06 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 2rjc n SER 360 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2rjc s LEU 361 N -2.59 3.98 -0.16 1.04 1.43 -0.25 -5.02 118.68 117.11 2rjc s LEU 361 Ca 0.23 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 2rjc s LEU 361 Cb 0.19 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2rjc s LEU 361 CO 0.53 -0.06 -0.01 -0.69 0.23 0.00 0.00 176.35 176.36 2rjc s VAL 362 N 1.74 4.15 0.04 -1.59 1.01 -1.26 -0.85 120.40 123.65 2rjc s VAL 362 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2rjc s VAL 362 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2rjc s VAL 362 CO 0.10 0.49 -0.07 0.00 0.00 0.00 0.00 175.10 175.62 2rjc n VAL 364 N 1.40 0.45 -4.02 0.00 0.31 -0.20 -1.17 118.33 115.10 2rjc n VAL 364 Ca -0.22 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 2rjc n VAL 364 Cb 0.55 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 2rjc n VAL 364 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rjc s ALA 365 N 3.39 0.30 0.12 3.52 0.00 -0.14 -2.73 121.76 126.23 2rjc s ALA 365 Ca 0.90 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2rjc s ALA 365 Cb -0.72 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2rjc s ALA 365 CO 0.50 -0.20 -0.17 -1.12 0.00 0.00 0.00 175.76 174.77 2rjc s SER 366 N -1.89 2.26 -0.22 0.00 0.01 0.34 -1.23 113.70 112.97 2rjc s SER 366 Ca -0.09 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.19 2rjc s SER 366 Cb -0.05 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2rjc s SER 366 CO -0.03 -0.06 0.66 -0.69 0.41 0.00 0.00 173.24 173.53 2rjc s VAL 367 N -1.76 4.98 -0.19 3.43 1.01 -0.16 -0.38 120.40 127.33 2rjc s VAL 367 Ca 0.09 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.33 2rjc s VAL 367 Cb -0.07 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2rjc s VAL 367 CO 0.04 0.06 0.25 0.35 0.00 0.00 0.00 175.10 175.80 2rjc n THR 368 N 4.92 0.00 -3.64 3.92 -2.24 -0.82 -0.50 114.28 115.92 2rjc n THR 368 Ca 0.00 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2rjc n THR 368 Cb 0.49 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 2rjc n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rjc s ASP 369 N -0.93 -0.73 -0.10 3.42 -1.08 -1.26 -4.93 116.67 111.07 2rjc s ASP 369 Ca 0.02 1.38 -0.00 0.00 -0.52 0.00 0.00 52.55 53.42 2rjc s ASP 369 Cb 0.02 1.37 0.02 0.00 -1.46 0.00 0.00 42.92 42.88 2rjc s ASP 369 CO 0.08 -0.24 -0.06 -0.69 0.52 0.00 0.00 175.17 174.79 2rjc s VAL 370 N 0.52 0.85 -0.12 1.11 1.01 -1.26 -0.80 120.40 121.71 2rjc s VAL 370 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2rjc s VAL 370 Cb -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2rjc s VAL 370 CO -0.02 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 2rjc s VAL 371 N 1.66 0.40 0.00 2.92 1.01 0.20 -5.01 120.40 121.57 2rjc s VAL 371 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2rjc s VAL 371 Cb -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2rjc s VAL 371 CO -0.06 0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.57 2rjc n ASP 372 N 5.12 0.00 -0.88 3.32 8.00 -1.26 -0.99 116.55 129.86 2rjc n ASP 372 Ca -0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.51 2rjc n ASP 372 Cb 0.49 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.84 2rjc n ASP 372 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2rjc n SER 373 N 5.49 2.59 -4.52 -2.24 3.41 -1.26 -3.53 113.62 113.55 2rjc n SER 373 Ca 0.00 -1.95 -0.24 0.00 -0.26 0.00 0.00 58.87 56.42 2rjc n SER 373 Cb 0.00 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 2rjc n SER 373 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rjc s ARG 374 N -1.43 1.86 0.06 4.33 0.52 -0.16 -4.27 118.95 119.85 2rjc s ARG 374 Ca 0.34 -1.61 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 2rjc s ARG 374 Cb 0.18 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 2rjc s ARG 374 CO 0.24 0.35 -0.07 -0.59 0.02 0.00 0.00 175.30 175.26 2rjc s PHE 375 N -2.32 0.68 -0.26 -0.53 -0.12 -0.63 -0.63 117.98 114.18 2rjc s PHE 375 Ca 0.29 -0.68 -0.15 0.00 -0.05 0.00 0.00 56.93 56.34 2rjc s PHE 375 Cb -0.06 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 2rjc s PHE 375 CO 0.16 -0.14 0.38 -1.17 -0.05 0.00 0.00 175.22 174.39 2rjc s LEU 376 N -2.14 4.05 -0.15 -1.99 2.96 0.02 -1.62 118.68 119.82 2rjc s LEU 376 Ca -0.02 0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.95 2rjc s LEU 376 Cb -0.04 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2rjc s LEU 376 CO -0.02 -0.17 0.82 0.68 -1.32 0.00 0.00 176.35 176.34 2rjc s VAL 377 N 2.00 4.90 -0.06 1.68 -7.23 0.00 -1.93 120.40 119.76 2rjc s VAL 377 Ca 0.15 1.63 0.04 0.00 -1.81 0.00 0.00 61.98 61.99 2rjc s VAL 377 Cb -0.16 -4.13 -0.02 0.00 0.56 0.00 0.00 36.38 32.63 2rjc s VAL 377 CO 0.10 0.06 -0.18 -2.28 -0.31 0.00 0.00 175.10 172.49 2rjc s HIS 378 N 1.92 2.61 -0.36 2.82 2.46 0.49 -2.03 115.29 123.21 2rjc s HIS 378 Ca 0.39 -0.35 -0.22 0.00 0.47 0.00 0.00 55.06 55.35 2rjc s HIS 378 Cb -0.17 -1.63 0.01 0.00 -0.13 0.00 0.00 32.58 30.66 2rjc s HIS 378 CO 0.14 0.04 0.73 -0.06 -2.47 0.00 0.00 174.74 173.12 2rjc s PHE 379 N -0.49 3.13 0.01 3.88 0.08 -1.26 -0.51 117.98 122.82 2rjc s PHE 379 Ca 0.06 0.49 -0.36 0.00 0.12 0.00 0.00 56.93 57.24 2rjc s PHE 379 Cb -0.12 -3.31 -0.15 0.00 -0.57 0.00 0.00 43.02 38.87 2rjc s PHE 379 CO 0.01 -0.70 1.53 -0.25 -0.10 0.00 0.00 175.22 175.72 2rjc n ASP 380 N 6.29 2.32 -1.57 1.36 9.92 -1.10 -1.75 116.55 132.01 2rjc n ASP 380 Ca 0.02 1.09 -0.17 0.00 -0.53 0.00 0.00 54.79 55.19 2rjc n ASP 380 Cb 0.48 -1.26 -0.05 0.00 -0.64 0.00 0.00 41.12 39.66 2rjc n ASP 380 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2rjc n ASN 381 N 3.72 -5.09 -4.84 -2.24 5.15 -1.26 -3.05 115.26 107.65 2rjc n ASN 381 Ca 0.20 0.26 -0.24 0.00 -0.60 0.00 0.00 54.58 54.21 2rjc n ASN 381 Cb 0.21 -4.14 -0.04 0.00 -0.53 0.00 0.00 39.78 35.28 2rjc n ASN 381 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2rjc s TRP 382 N -2.73 2.32 0.84 1.20 0.52 -0.72 -4.43 118.94 115.95 2rjc s TRP 382 Ca 0.00 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.38 2rjc s TRP 382 Cb 0.00 -2.02 0.15 0.00 -1.15 0.00 0.00 33.47 30.46 2rjc s TRP 382 CO 0.00 -0.13 1.17 0.16 0.02 0.00 0.00 176.95 178.17 2rjc s ASP 383 N -4.10 3.81 0.00 2.95 1.47 -1.26 -4.91 116.67 114.62 2rjc s ASP 383 Ca 0.41 0.14 0.27 0.00 1.18 0.00 0.00 52.55 54.54 2rjc s ASP 383 Cb -0.00 -0.39 1.59 0.00 -0.34 0.00 0.00 42.92 43.78 2rjc s ASP 383 CO 0.24 -2.26 1.99 -0.90 0.68 0.00 0.00 175.17 174.91 2rjc n ASP 384 N -3.34 0.00 0.28 2.11 5.75 -1.26 -3.76 116.55 116.33 2rjc n ASP 384 Ca 0.14 -1.04 0.12 0.00 -0.01 0.00 0.00 54.79 54.00 2rjc n ASP 384 Cb 0.60 0.00 0.80 0.00 -1.03 0.00 0.00 41.12 41.49 2rjc n ASP 384 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2rjc h THR 385 N 0.00 0.72 0.00 2.12 2.02 -1.92 -1.79 112.91 114.06 2rjc h THR 385 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2rjc h THR 385 Cb 0.00 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2rjc h THR 385 CO 0.00 0.01 -0.99 -1.22 0.37 0.00 0.00 175.52 173.69 2rjc n TYR 386 N -4.12 0.05 -1.51 3.16 4.01 -1.25 -4.93 117.16 112.58 2rjc n TYR 386 Ca -0.03 0.02 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 2rjc n TYR 386 Cb 0.09 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 38.98 2rjc n TYR 386 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2rjc n ASP 387 N -1.66 -0.33 -3.72 7.72 9.92 -0.67 -4.78 116.55 123.03 2rjc n ASP 387 Ca 0.03 0.83 -0.14 0.00 -0.53 0.00 0.00 54.79 54.98 2rjc n ASP 387 Cb 0.37 -1.23 -0.08 0.00 -0.64 0.00 0.00 41.12 39.54 2rjc n ASP 387 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2rjc s TYR 388 N -1.57 -0.27 0.17 1.24 -0.85 -0.86 -4.79 117.35 110.41 2rjc s TYR 388 Ca 0.68 0.46 -0.26 0.00 -0.52 0.00 0.00 57.07 57.43 2rjc s TYR 388 Cb -0.49 0.15 -0.08 0.00 0.38 0.00 0.00 41.96 41.92 2rjc s TYR 388 CO 0.54 -0.41 0.80 -1.58 -1.52 0.00 0.00 175.55 173.38 2rjc s TRP 389 N -1.19 3.91 0.27 -3.49 0.52 -1.26 -0.82 118.94 116.88 2rjc s TRP 389 Ca -0.12 1.67 -0.06 0.00 0.02 0.00 0.00 56.10 57.61 2rjc s TRP 389 Cb -0.04 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.49 2rjc s TRP 389 CO 0.05 0.49 0.46 0.00 0.02 0.00 0.00 176.95 177.97 2rjc s ASP 391 N -2.57 3.76 0.59 0.00 1.47 -1.26 -1.60 116.67 117.07 2rjc s ASP 391 Ca 0.17 -1.48 0.30 0.00 1.18 0.00 0.00 52.55 52.72 2rjc s ASP 391 Cb -0.02 -0.03 1.36 0.00 -0.34 0.00 0.00 42.92 43.89 2rjc s ASP 391 CO 0.12 -0.62 1.74 -0.65 0.68 0.00 0.00 175.17 176.45 2rjc h PRO 392 N 1.67 0.00 -0.24 2.11 0.11 -1.88 -1.25 132.00 132.52 2rjc h PRO 392 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2rjc h PRO 392 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2rjc h PRO 392 CO 0.77 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 2rjc n SER 393 N -3.65 2.46 -4.65 -2.05 3.41 -1.25 -1.41 113.62 106.47 2rjc n SER 393 Ca 0.14 -1.84 -0.48 0.00 -0.26 0.00 0.00 58.87 56.44 2rjc n SER 393 Cb 0.96 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 2rjc n SER 393 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2rjc n SER 394 N 0.85 2.75 0.00 4.04 2.88 -0.48 -3.30 113.62 120.36 2rjc n SER 394 Ca 0.17 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.85 2rjc n SER 394 Cb 0.46 -1.36 0.28 0.00 -0.75 0.00 0.00 64.21 62.84 2rjc n SER 394 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2rjc n PRO 395 N 3.48 0.20 0.00 -1.46 -0.04 -1.26 -3.58 135.00 132.35 2rjc n PRO 395 Ca 0.18 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2rjc n PRO 395 Cb 0.26 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2rjc n PRO 395 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2rjc n TYR 396 N -1.20 0.00 -4.35 0.54 4.01 -1.26 -4.94 117.16 109.95 2rjc n TYR 396 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 2rjc n TYR 396 Cb 0.07 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 2rjc n TYR 396 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2rjc s ILE 397 N -2.18 2.86 0.12 -0.72 -4.36 -1.23 0.53 121.20 116.21 2rjc s ILE 397 Ca 0.21 -1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 59.07 2rjc s ILE 397 Cb 0.18 -2.30 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2rjc s ILE 397 CO 0.44 0.13 0.20 -1.00 0.24 0.00 0.00 174.94 174.96 2rjc s HIS 398 N -1.12 0.33 0.55 1.37 3.76 0.97 -4.99 115.29 116.17 2rjc s HIS 398 Ca 0.18 -0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 54.16 2rjc s HIS 398 Cb -0.11 -0.12 -0.06 0.00 1.11 0.00 0.00 32.58 33.41 2rjc s HIS 398 CO 0.10 -0.60 1.08 -1.25 -0.85 0.00 0.00 174.74 173.22 2rjc s PRO 399 N -3.92 3.45 -0.13 8.40 0.04 -1.26 -1.22 135.00 140.35 2rjc s PRO 399 Ca 0.11 1.40 -0.42 0.00 0.04 0.00 0.00 61.00 62.14 2rjc s PRO 399 Cb 0.05 -2.04 -0.20 0.00 0.04 0.00 0.00 34.50 32.35 2rjc s PRO 399 CO -0.06 -0.73 1.26 0.28 0.04 0.00 0.00 177.00 177.79 2rjc n VAL 400 N -1.47 0.01 0.00 -0.36 0.31 -1.26 -1.40 118.33 114.16 2rjc n VAL 400 Ca 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2rjc n VAL 400 Cb 0.52 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 2rjc n VAL 400 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rjc n GLY 401 N 2.35 1.47 0.21 2.92 0.00 -1.26 -4.98 105.19 105.90 2rjc n GLY 401 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2rjc n GLY 401 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2rjc h TRP 402 N 0.00 0.69 -0.37 1.61 7.01 -1.60 -2.68 115.95 120.61 2rjc h TRP 402 Ca 0.00 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2rjc h TRP 402 Cb 0.00 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 2rjc h TRP 402 CO 0.00 0.58 0.24 0.00 -2.79 0.00 0.00 178.44 176.47 2rjc h GLN 404 N 0.50 0.21 -0.09 0.00 4.15 -1.73 0.22 115.11 118.37 2rjc h GLN 404 Ca 0.14 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.55 2rjc h GLN 404 Cb -0.04 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 2rjc h GLN 404 CO -0.03 0.14 0.06 -0.22 -1.93 0.00 0.00 178.83 176.85 2rjc h LYS 405 N 0.22 0.07 0.00 1.69 1.63 -1.41 -3.05 116.57 115.72 2rjc h LYS 405 Ca 0.09 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2rjc h LYS 405 Cb 0.03 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2rjc h LYS 405 CO -0.07 0.05 -1.04 1.96 -3.45 0.00 0.00 179.45 176.90 2rjc h GLN 406 N 0.07 0.00 0.00 1.90 1.08 -0.62 -3.48 115.11 114.06 2rjc h GLN 406 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2rjc h GLN 406 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2rjc h GLN 406 CO -0.01 0.10 0.00 0.41 -0.95 0.00 0.00 178.83 178.39 2rjc n GLY 407 N 1.24 0.50 3.84 3.46 0.00 0.60 -5.07 105.19 109.77 2rjc n GLY 407 Ca -0.03 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 2rjc n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjc s LYS 408 N -1.32 3.94 0.12 1.61 -0.14 -0.18 -5.01 119.74 118.77 2rjc s LYS 408 Ca 0.00 0.44 -0.31 0.00 -1.36 0.00 0.00 55.97 54.74 2rjc s LYS 408 Cb 0.00 -3.18 -0.10 0.00 -1.68 0.00 0.00 37.83 32.87 2rjc s LYS 408 CO 0.00 0.66 1.85 -2.14 -0.76 0.00 0.00 175.35 174.96 2rjc s PRO 409 N -1.24 4.13 -0.14 -1.68 0.02 -1.26 -4.30 135.00 130.53 2rjc s PRO 409 Ca 0.26 2.62 -0.17 0.00 0.02 0.00 0.00 61.00 63.74 2rjc s PRO 409 Cb -0.17 -3.63 -0.04 0.00 0.02 0.00 0.00 34.50 30.68 2rjc s PRO 409 CO 0.15 -0.86 0.42 -1.17 -0.33 0.00 0.00 177.00 175.21 2rjc s LEU 410 N 2.85 4.25 -0.31 -5.54 2.96 -1.26 -4.46 118.68 117.17 2rjc s LEU 410 Ca 0.82 0.69 -0.21 0.00 -0.22 0.00 0.00 54.13 55.21 2rjc s LEU 410 Cb -0.46 -2.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 2rjc s LEU 410 CO 0.37 0.01 0.68 -0.89 -1.32 0.00 0.00 176.35 175.21 2rjc s THR 411 N 0.68 4.88 0.88 3.68 2.01 -0.05 -4.98 115.64 122.74 2rjc s THR 411 Ca 0.22 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 63.04 2rjc s THR 411 Cb -0.14 -4.06 0.17 0.00 0.01 0.00 0.00 72.50 68.47 2rjc s THR 411 CO 0.08 -0.20 1.21 -2.16 -0.69 0.00 0.00 174.62 172.86 2rjc s PRO 412 N 2.74 1.06 0.39 4.92 0.05 -1.26 -1.03 135.00 141.87 2rjc s PRO 412 Ca 0.27 -0.59 -0.27 0.00 0.05 0.00 0.00 61.00 60.47 2rjc s PRO 412 Cb -0.15 -2.00 -0.11 0.00 0.05 0.00 0.00 34.50 32.29 2rjc s PRO 412 CO 0.13 -2.05 1.32 -2.30 0.05 0.00 0.00 177.00 174.14 2rjc n PRO 413 N -3.44 2.12 -1.62 0.56 -0.02 -1.26 -4.77 135.00 126.56 2rjc n PRO 413 Ca 0.15 0.75 -0.57 0.00 -2.02 0.00 0.00 63.50 61.81 2rjc n PRO 413 Cb 0.60 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 2rjc n PRO 413 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2rjc n GLN 414 N 0.25 0.77 -1.17 -0.52 7.27 -1.17 -1.81 117.38 121.00 2rjc n GLN 414 Ca 0.05 0.28 -0.06 0.00 0.07 0.00 0.00 57.00 57.34 2rjc n GLN 414 Cb 0.38 -1.88 -0.02 0.00 2.41 0.00 0.00 30.24 31.13 2rjc n GLN 414 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rjc n ASP 415 N 3.21 -4.20 0.00 1.69 8.00 -1.26 -4.89 116.55 119.09 2rjc n ASP 415 Ca 0.22 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2rjc n ASP 415 Cb 0.12 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 2rjc n ASP 415 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rjc n TYR 416 N -2.66 0.00 -3.61 1.24 4.19 -0.75 -5.25 117.16 110.31 2rjc n TYR 416 Ca -0.06 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.04 2rjc n TYR 416 Cb 0.27 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.04 2rjc n TYR 416 CO 0.00 0.00 0.00 0.12 0.91 0.00 0.00 176.86 177.89 2rjc s PHE 422 N 0.00 -0.50 -0.15 2.98 5.36 -1.26 -5.09 117.98 119.32 2rjc s PHE 422 Ca 0.00 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 2rjc s PHE 422 Cb 0.00 0.38 0.05 0.00 -0.34 0.00 0.00 43.02 43.10 2rjc s PHE 422 CO 0.00 -0.30 0.02 0.00 -1.46 0.00 0.00 175.22 173.48 2rjc h TRP 424 N 8.28 0.36 0.05 0.00 -0.00 -2.04 -0.99 115.95 121.61 2rjc h TRP 424 Ca -0.18 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.75 2rjc h TRP 424 Cb 1.12 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 30.23 2rjc h TRP 424 CO 0.35 -0.01 -0.03 1.49 -0.00 0.00 0.00 178.44 180.24 2rjc h GLU 425 N 0.34 -0.08 -0.20 0.49 4.81 -2.00 -0.08 114.58 117.86 2rjc h GLU 425 Ca 0.39 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 2rjc h GLU 425 Cb 0.62 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2rjc h GLU 425 CO -0.44 -0.05 0.09 -0.22 -0.73 0.00 0.00 179.01 177.66 2rjc h LYS 426 N -0.08 0.30 -0.38 1.92 3.64 -1.94 -2.78 116.57 117.24 2rjc h LYS 426 Ca -0.00 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2rjc h LYS 426 Cb 0.07 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2rjc h LYS 426 CO 0.01 0.34 0.05 -0.92 -2.27 0.00 0.00 179.45 176.65 2rjc h TYR 427 N 0.18 0.07 -0.30 1.91 3.20 -0.95 0.15 116.97 121.24 2rjc h TYR 427 Ca 0.07 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2rjc h TYR 427 Cb 0.15 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2rjc h TYR 427 CO -0.02 -0.02 0.03 -0.07 -1.64 0.00 0.00 178.16 176.44 2rjc h LEU 428 N 0.16 0.49 0.07 2.82 3.38 -1.01 -1.81 115.31 119.42 2rjc h LEU 428 Ca 0.19 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2rjc h LEU 428 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2rjc h LEU 428 CO -0.27 0.64 -0.14 -0.08 0.09 0.00 0.00 178.44 178.69 2rjc h GLU 429 N 0.32 -0.26 -0.25 1.13 4.81 -1.30 0.47 114.58 119.50 2rjc h GLU 429 Ca 0.09 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2rjc h GLU 429 Cb 0.37 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2rjc h GLU 429 CO 0.01 -0.17 -0.01 1.05 -0.73 0.00 0.00 179.01 179.16 2rjc h GLU 430 N -0.27 0.38 -0.13 1.92 4.11 -0.65 -2.65 114.58 117.29 2rjc h GLU 430 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2rjc h GLU 430 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2rjc h GLU 430 CO -0.09 0.41 0.00 0.25 0.07 0.00 0.00 179.01 179.66 2rjc n THR 431 N -4.33 0.16 -3.33 -1.06 -2.24 -0.68 -4.94 114.28 97.85 2rjc n THR 431 Ca 0.01 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 2rjc n THR 431 Cb 0.21 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 2rjc n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rjc n GLY 432 N 1.15 -0.50 3.57 3.38 0.00 -0.46 -4.97 105.19 107.35 2rjc n GLY 432 Ca 0.17 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 2rjc n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rjc s ALA 433 N -3.03 2.95 0.02 4.61 0.00 0.03 -5.03 121.76 121.31 2rjc s ALA 433 Ca 0.40 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2rjc s ALA 433 Cb -0.20 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2rjc s ALA 433 CO 0.49 0.40 0.09 -1.12 0.00 0.00 0.00 175.76 175.62 2rjc s SER 434 N -3.08 5.68 0.42 0.00 0.01 -1.26 -4.51 113.70 110.96 2rjc s SER 434 Ca 0.27 0.11 -0.24 0.00 1.31 0.00 0.00 55.95 57.40 2rjc s SER 434 Cb -0.08 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.46 2rjc s SER 434 CO 0.16 0.24 1.12 0.00 0.41 0.00 0.00 173.24 175.17 2rjc s ALA 435 N -1.26 3.06 0.18 1.44 0.00 -1.26 -1.33 121.76 122.59 2rjc s ALA 435 Ca 0.25 0.86 -0.32 0.00 0.00 0.00 0.00 51.96 52.75 2rjc s ALA 435 Cb -0.12 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 2rjc s ALA 435 CO 0.17 -0.47 1.72 0.28 0.00 0.00 0.00 175.76 177.46 2rjc n VAL 436 N -0.20 0.06 -1.68 0.00 0.31 -0.36 -4.76 118.33 111.70 2rjc n VAL 436 Ca 0.06 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 2rjc n VAL 436 Cb 0.48 -1.93 0.02 0.00 -0.91 0.00 0.00 33.84 31.50 2rjc n VAL 436 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2rjc n PRO 437 N 4.17 1.65 -0.10 5.55 -0.04 -1.26 -4.75 135.00 140.21 2rjc n PRO 437 Ca 0.17 0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 64.21 2rjc n PRO 437 Cb 0.34 -2.31 0.25 0.00 -0.04 0.00 0.00 33.50 31.74 2rjc n PRO 437 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2rjc h THR 438 N 1.68 1.20 0.00 0.52 2.02 -1.98 -2.57 112.91 113.78 2rjc h THR 438 Ca -0.48 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2rjc h THR 438 Cb 1.31 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2rjc h THR 438 CO 0.58 0.25 -0.00 4.11 0.37 0.00 0.00 175.52 180.83 2rjc h TRP 439 N 0.74 0.00 -0.09 3.16 5.08 -2.01 -2.49 115.95 120.34 2rjc h TRP 439 Ca 0.18 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.12 2rjc h TRP 439 Cb 0.18 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.34 2rjc h TRP 439 CO 0.01 0.00 -0.08 0.00 -1.28 0.00 0.00 178.44 177.09 2rjc h ALA 440 N 2.00 1.71 -2.07 0.11 0.00 -1.76 -3.42 119.26 115.82 2rjc h ALA 440 Ca -0.00 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 54.20 2rjc h ALA 440 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2rjc h ALA 440 CO 0.00 0.22 0.82 -0.06 0.00 0.00 0.00 179.25 180.23 2rjc s PHE 441 N -4.84 3.26 -0.09 0.00 0.08 -0.94 -4.83 117.98 110.62 2rjc s PHE 441 Ca -0.05 1.38 -0.00 0.00 0.12 0.00 0.00 56.93 58.38 2rjc s PHE 441 Cb 0.16 -3.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 2rjc s PHE 441 CO 0.71 -0.66 -0.06 0.15 -0.10 0.00 0.00 175.22 175.26 2rjc s LYS 442 N 3.30 2.96 -0.18 0.44 -0.14 -0.50 -5.02 119.74 120.60 2rjc s LYS 442 Ca 0.45 -0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 2rjc s LYS 442 Cb -0.15 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 2rjc s LYS 442 CO 0.08 0.57 1.58 0.54 -0.76 0.00 0.00 175.35 177.37 2rjc s VAL 443 N -0.55 3.73 0.05 3.17 0.11 -1.26 -3.95 120.40 121.71 2rjc s VAL 443 Ca 0.08 0.85 -0.31 0.00 -2.93 0.00 0.00 61.98 59.68 2rjc s VAL 443 Cb -0.12 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.99 2rjc s VAL 443 CO 0.02 -0.23 1.24 -0.60 -3.33 0.00 0.00 175.10 172.20 2rjc s ARG 444 N 4.41 4.40 0.70 1.54 3.52 -1.21 -5.00 118.95 127.31 2rjc s ARG 444 Ca 0.70 1.81 -0.15 0.00 -0.13 0.00 0.00 55.73 57.96 2rjc s ARG 444 Cb -0.26 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2rjc s ARG 444 CO 0.28 -0.32 1.15 -1.25 -0.81 0.00 0.00 175.30 174.35 2rjc s PRO 445 N 1.25 2.43 0.75 5.12 0.04 -1.26 -4.98 135.00 138.35 2rjc s PRO 445 Ca 0.60 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2rjc s PRO 445 Cb -0.30 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2rjc s PRO 445 CO 0.28 -1.57 1.15 -2.14 0.04 0.00 0.00 177.00 174.77 2rjc s PRO 446 N -4.05 2.14 0.82 0.56 0.02 -1.26 -4.98 135.00 128.24 2rjc s PRO 446 Ca 0.70 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 2rjc s PRO 446 Cb -0.24 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.50 2rjc s PRO 446 CO 0.44 -1.79 1.10 -3.38 -0.33 0.00 0.00 177.00 173.04 2rjc s HIS 447 N -2.36 2.75 -0.19 6.54 -3.43 -0.80 -5.00 115.29 112.79 2rjc s HIS 447 Ca 0.69 1.14 0.16 0.00 -0.80 0.00 0.00 55.06 56.25 2rjc s HIS 447 Cb -0.24 -3.15 0.36 0.00 -1.43 0.00 0.00 32.58 28.13 2rjc s HIS 447 CO 0.48 -1.89 1.25 0.43 -2.00 0.00 0.00 174.74 173.02 2rjc n SER 448 N -3.51 2.95 -4.73 7.38 7.64 -1.26 -4.98 113.62 117.11 2rjc n SER 448 Ca 0.07 -2.90 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 2rjc n SER 448 Cb 0.56 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2rjc n SER 448 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rjc s PHE 449 N -2.58 3.04 0.03 1.43 0.08 -1.26 -5.02 117.98 113.70 2rjc s PHE 449 Ca 0.33 0.74 -0.00 0.00 0.12 0.00 0.00 56.93 58.11 2rjc s PHE 449 Cb 0.27 -3.91 -0.04 0.00 -0.57 0.00 0.00 43.02 38.78 2rjc s PHE 449 CO 0.06 -3.23 0.15 -0.51 -0.10 0.00 0.00 175.22 171.59 2rjc s LEU 450 N 0.69 4.18 0.23 -0.37 1.43 -1.26 -4.95 118.68 118.63 2rjc s LEU 450 Ca 0.67 0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.68 2rjc s LEU 450 Cb -0.43 -2.65 -0.14 0.00 0.03 0.00 0.00 46.19 42.99 2rjc s LEU 450 CO 0.35 0.22 1.23 0.52 0.23 0.00 0.00 176.35 178.90 2rjc n VAL 451 N 0.67 1.21 0.00 -1.59 0.31 -1.26 -2.45 118.33 115.21 2rjc n VAL 451 Ca -0.09 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2rjc n VAL 451 Cb 0.52 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 2rjc n VAL 451 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2rjc n ASN 452 N 1.82 0.00 -4.75 4.52 3.02 0.78 -4.97 115.26 115.68 2rjc n ASN 452 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 2rjc n ASN 452 Cb 0.29 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.48 2rjc n ASN 452 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2rjc n MET 453 N -2.00 2.18 -3.99 3.52 2.81 -1.03 -4.64 117.12 113.98 2rjc n MET 453 Ca 0.00 0.78 -0.31 0.00 -1.81 0.00 0.00 57.70 56.35 2rjc n MET 453 Cb 0.00 -2.59 -0.05 0.00 -0.71 0.00 0.00 33.22 29.87 2rjc n MET 453 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2rjc s LYS 454 N -2.43 3.20 0.00 0.03 -0.14 -0.46 -0.98 119.74 118.95 2rjc s LYS 454 Ca 0.62 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 2rjc s LYS 454 Cb -0.46 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 32.78 2rjc s LYS 454 CO 0.57 0.60 0.00 1.47 -0.76 0.00 0.00 175.35 177.24 2rjc n LEU 455 N 0.52 0.00 -4.23 3.17 -0.00 -0.59 0.44 117.00 116.30 2rjc n LEU 455 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.63 2rjc n LEU 455 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.77 2rjc n LEU 455 CO 0.47 0.00 -0.55 -1.61 -0.00 0.00 0.00 177.39 175.70 2rjc s GLU 456 N -1.41 2.34 -0.02 1.47 2.02 0.03 -1.23 118.70 121.89 2rjc s GLU 456 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.17 2rjc s GLU 456 Cb 0.00 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.25 2rjc s GLU 456 CO 0.00 0.35 -0.02 0.00 0.02 0.00 0.00 175.26 175.61 2rjc s ALA 457 N -0.12 0.34 0.25 5.21 0.00 -0.75 -0.54 121.76 126.16 2rjc s ALA 457 Ca -0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 2rjc s ALA 457 Cb -0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 23.12 22.67 2rjc s ALA 457 CO 0.03 0.01 1.64 0.08 0.00 0.00 0.00 175.76 177.52 2rjc s VAL 458 N 0.46 2.09 -0.31 0.00 1.01 -0.81 -0.73 120.40 122.11 2rjc s VAL 458 Ca -0.05 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2rjc s VAL 458 Cb -0.08 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2rjc s VAL 458 CO -0.01 0.01 1.72 -0.62 0.00 0.00 0.00 175.10 176.20 2rjc s ASP 459 N 0.81 6.04 0.36 3.32 -1.08 0.08 -4.89 116.67 121.30 2rjc s ASP 459 Ca 0.68 1.32 0.10 0.00 -0.52 0.00 0.00 52.55 54.13 2rjc s ASP 459 Cb -0.48 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.30 2rjc s ASP 459 CO 0.40 -1.59 1.86 0.03 0.52 0.00 0.00 175.17 176.39 2rjc h ARG 460 N 12.21 0.64 0.34 4.34 2.47 -1.92 -2.30 114.38 130.16 2rjc h ARG 460 Ca -0.33 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.33 2rjc h ARG 460 Cb 1.16 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2rjc h ARG 460 CO 1.03 0.42 -0.16 -0.09 0.56 0.00 0.00 179.97 181.73 2rjc h ARG 461 N 0.66 -0.44 -3.41 0.04 9.65 -1.98 -3.39 114.38 115.51 2rjc h ARG 461 Ca 0.47 0.03 -0.69 0.00 -1.10 0.00 0.00 59.98 58.69 2rjc h ARG 461 Cb 0.81 0.10 -0.36 0.00 -1.39 0.00 0.00 29.97 29.12 2rjc h ARG 461 CO -0.22 -0.16 -0.32 1.21 2.80 0.00 0.00 179.97 183.28 2rjc s ASN 462 N -5.08 5.37 0.00 -3.80 3.84 -1.06 -4.96 114.94 109.24 2rjc s ASN 462 Ca -0.11 -3.28 0.15 0.00 0.21 0.00 0.00 52.86 49.84 2rjc s ASN 462 Cb 0.01 -1.83 0.72 0.00 -0.55 0.00 0.00 41.25 39.60 2rjc s ASN 462 CO 0.36 -0.26 1.42 -2.65 -2.79 0.00 0.00 177.10 173.18 2rjc n PRO 463 N 2.89 0.17 0.05 0.43 -0.02 -0.89 -1.60 135.00 136.03 2rjc n PRO 463 Ca 0.14 0.17 0.21 0.00 -2.02 0.00 0.00 63.50 61.99 2rjc n PRO 463 Cb 0.37 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.08 2rjc n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rjc h ALA 464 N 2.66 2.27 -3.75 3.55 0.00 -1.93 -3.45 119.26 118.62 2rjc h ALA 464 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 2rjc h ALA 464 Cb 0.16 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.80 2rjc h ALA 464 CO 0.00 -0.68 -0.73 -0.51 0.00 0.00 0.00 179.25 177.33 2rjc s LEU 465 N -7.88 3.01 -0.07 0.00 1.43 -0.63 -5.04 118.68 109.51 2rjc s LEU 465 Ca -0.05 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2rjc s LEU 465 Cb 0.17 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.68 2rjc s LEU 465 CO 0.62 0.30 -0.20 -0.63 0.23 0.00 0.00 176.35 176.67 2rjc s ILE 466 N -0.91 1.70 0.20 -0.59 1.01 -1.26 -0.74 121.20 120.60 2rjc s ILE 466 Ca 0.15 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 60.06 2rjc s ILE 466 Cb -0.11 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2rjc s ILE 466 CO 0.05 0.48 -0.20 -0.13 0.00 0.00 0.00 174.94 175.14 2rjc s ARG 467 N 0.22 1.43 0.20 2.79 0.52 0.10 -0.62 118.95 123.59 2rjc s ARG 467 Ca -0.11 -1.53 -0.32 0.00 -0.52 0.00 0.00 55.73 53.25 2rjc s ARG 467 Cb -0.15 -1.55 -0.11 0.00 0.52 0.00 0.00 34.95 33.66 2rjc s ARG 467 CO 0.05 0.31 1.65 0.08 0.02 0.00 0.00 175.30 177.42 2rjc s VAL 468 N -2.13 2.23 0.15 3.52 1.01 -0.90 -1.80 120.40 122.48 2rjc s VAL 468 Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2rjc s VAL 468 Cb -0.06 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2rjc s VAL 468 CO 0.09 0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.24 2rjc s ALA 469 N 1.02 1.08 0.03 5.51 0.00 -0.37 -2.79 121.76 126.24 2rjc s ALA 469 Ca 0.72 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2rjc s ALA 469 Cb -0.47 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2rjc s ALA 469 CO 0.34 -0.41 -0.04 -1.12 0.00 0.00 0.00 175.76 174.52 2rjc s SER 470 N -3.10 0.43 -0.41 0.00 0.01 0.17 -1.54 113.70 109.25 2rjc s SER 470 Ca 0.24 -0.52 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2rjc s SER 470 Cb 0.07 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.39 2rjc s SER 470 CO 0.03 -0.28 1.34 -0.69 0.41 0.00 0.00 173.24 174.05 2rjc s VAL 471 N -1.48 4.01 0.03 3.43 1.01 -0.16 -0.52 120.40 126.72 2rjc s VAL 471 Ca -0.14 1.05 0.10 0.00 0.00 0.00 0.00 61.98 62.99 2rjc s VAL 471 Cb -0.10 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 2rjc s VAL 471 CO -0.01 -0.76 1.16 -0.08 0.00 0.00 0.00 175.10 175.42 2rjc h GLU 472 N 10.16 0.00 -1.80 2.72 4.57 -0.49 0.22 114.58 129.96 2rjc h GLU 472 Ca -0.26 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.13 2rjc h GLU 472 Cb 1.09 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.53 2rjc h GLU 472 CO 1.09 0.77 0.69 0.34 -1.18 0.00 0.00 179.01 180.72 2rjc s ASP 473 N -6.49 -0.19 0.03 1.04 -1.08 -1.20 -4.88 116.67 103.88 2rjc s ASP 473 Ca 0.00 -0.07 0.01 0.00 -0.52 0.00 0.00 52.55 51.98 2rjc s ASP 473 Cb 0.09 0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.79 2rjc s ASP 473 CO 0.81 -0.43 -0.06 0.68 0.52 0.00 0.00 175.17 176.69 2rjc s VAL 474 N -2.72 0.37 0.43 1.11 -7.23 -1.26 -0.66 120.40 110.43 2rjc s VAL 474 Ca 0.09 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2rjc s VAL 474 Cb -0.00 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 2rjc s VAL 474 CO -0.05 -0.32 0.12 -1.61 -0.31 0.00 0.00 175.10 172.92 2rjc s GLU 475 N -1.25 1.98 0.24 4.82 2.02 -0.01 -5.01 118.70 121.49 2rjc s GLU 475 Ca -0.09 -2.22 -0.06 0.00 0.02 0.00 0.00 54.97 52.62 2rjc s GLU 475 Cb -0.08 -0.73 0.43 0.00 0.10 0.00 0.00 34.13 33.85 2rjc s GLU 475 CO -0.00 -0.47 1.68 -0.44 0.02 0.00 0.00 175.26 176.05 2rjc h ASP 476 N 1.72 -0.03 0.00 -0.19 3.32 -2.01 -3.31 116.42 115.92 2rjc h ASP 476 Ca -0.36 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2rjc h ASP 476 Cb 1.28 0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2rjc h ASP 476 CO 0.59 -0.05 -0.07 1.41 -1.72 0.00 0.00 179.24 179.40 2rjc n HIS 477 N -5.18 0.00 -3.94 4.55 8.25 -1.26 -1.90 115.22 115.74 2rjc n HIS 477 Ca 0.13 -0.36 -0.10 0.00 -0.26 0.00 0.00 57.72 57.13 2rjc n HIS 477 Cb 0.44 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 2rjc n HIS 477 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2rjc s ARG 478 N -0.86 0.28 0.03 -0.41 0.52 -1.25 -1.62 118.95 115.64 2rjc s ARG 478 Ca 0.05 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2rjc s ARG 478 Cb 0.05 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 2rjc s ARG 478 CO 0.00 -0.05 -0.21 0.42 0.02 0.00 0.00 175.30 175.48 2rjc s ILE 479 N -1.15 1.71 -0.30 1.52 1.01 -0.34 -0.83 121.20 122.83 2rjc s ILE 479 Ca -0.13 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 2rjc s ILE 479 Cb -0.08 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2rjc s ILE 479 CO -0.00 0.30 0.17 -0.75 0.00 0.00 0.00 174.94 174.65 2rjc s LYS 480 N -0.99 3.62 -0.03 2.79 2.20 0.16 -0.37 119.74 127.13 2rjc s LYS 480 Ca 0.08 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 2rjc s LYS 480 Cb -0.09 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2rjc s LYS 480 CO 0.01 -0.31 0.48 0.42 -0.36 0.00 0.00 175.35 175.59 2rjc s ILE 481 N 1.69 5.02 -0.12 5.43 -1.09 0.14 0.28 121.20 132.56 2rjc s ILE 481 Ca 0.06 0.99 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 2rjc s ILE 481 Cb -0.16 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2rjc s ILE 481 CO 0.08 0.46 -0.18 -2.28 -1.23 0.00 0.00 174.94 171.79 2rjc s HIS 482 N -0.34 2.70 -0.42 3.97 5.65 0.32 -2.05 115.29 125.11 2rjc s HIS 482 Ca 0.26 -0.87 -0.26 0.00 0.25 0.00 0.00 55.06 54.44 2rjc s HIS 482 Cb -0.17 -1.79 0.02 0.00 -1.18 0.00 0.00 32.58 29.46 2rjc s HIS 482 CO 0.14 -0.34 0.96 -0.06 -0.65 0.00 0.00 174.74 174.79 2rjc s PHE 483 N 0.41 2.98 0.01 3.88 0.08 -1.26 -0.66 117.98 123.42 2rjc s PHE 483 Ca -0.13 0.60 -0.36 0.00 0.12 0.00 0.00 56.93 57.16 2rjc s PHE 483 Cb -0.17 -3.90 -0.15 0.00 -0.57 0.00 0.00 43.02 38.24 2rjc s PHE 483 CO 0.06 -1.00 1.56 -0.25 -0.10 0.00 0.00 175.22 175.49 2rjc n ASP 484 N 7.09 2.45 0.00 1.36 9.92 -1.12 -1.45 116.55 134.79 2rjc n ASP 484 Ca 0.07 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 2rjc n ASP 484 Cb 0.48 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 2rjc n ASP 484 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rjc n GLY 485 N 3.35 2.77 3.95 0.44 0.00 -1.26 -2.31 105.19 112.14 2rjc n GLY 485 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2rjc n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rjc s TRP 486 N -2.21 3.32 0.56 1.61 0.52 -0.53 -4.51 118.94 117.70 2rjc s TRP 486 Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 56.10 56.13 2rjc s TRP 486 Cb 0.00 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 2rjc s TRP 486 CO 0.00 -0.11 1.22 0.45 0.02 0.00 0.00 176.95 178.53 2rjc n SER 487 N -1.89 2.00 0.12 2.95 2.88 -1.26 -4.84 113.62 113.58 2rjc n SER 487 Ca -0.02 0.93 0.12 0.00 -1.33 0.00 0.00 58.87 58.57 2rjc n SER 487 Cb 0.57 -1.50 0.48 0.00 -0.75 0.00 0.00 64.21 63.00 2rjc n SER 487 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2rjc n HIS 488 N -1.23 0.78 0.09 0.66 8.25 -1.26 -2.53 115.22 119.98 2rjc n HIS 488 Ca 0.12 0.30 0.20 0.00 -0.26 0.00 0.00 57.72 58.08 2rjc n HIS 488 Cb 0.45 -0.98 0.73 0.00 1.12 0.00 0.00 29.99 31.31 2rjc n HIS 488 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2rjc h GLY 489 N 2.52 0.00 0.35 -1.41 0.00 -2.02 -1.52 103.07 101.00 2rjc h GLY 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rjc h GLY 489 CO 0.00 0.00 -0.22 -1.72 0.00 0.00 0.00 176.54 174.60 2rjc n TYR 490 N -3.61 0.00 -1.96 5.60 4.01 -1.05 -4.94 117.16 115.21 2rjc n TYR 490 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 2rjc n TYR 490 Cb 0.67 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2rjc n TYR 490 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2rjc s ASP 491 N -2.48 6.30 0.02 7.72 1.01 -0.57 -4.84 116.67 123.82 2rjc s ASP 491 Ca 0.26 2.79 -0.05 0.00 0.71 0.00 0.00 52.55 56.26 2rjc s ASP 491 Cb 0.19 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 2rjc s ASP 491 CO 0.50 -0.87 0.08 0.72 0.21 0.00 0.00 175.17 175.81 2rjc s PHE 492 N -1.20 0.16 0.04 4.23 -0.12 -0.87 -4.95 117.98 115.27 2rjc s PHE 492 Ca 0.56 -0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 56.86 2rjc s PHE 492 Cb -0.41 -0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 41.79 2rjc s PHE 492 CO 0.54 -0.30 0.57 -1.58 -0.05 0.00 0.00 175.22 174.40 2rjc s TRP 493 N -1.94 3.76 0.00 3.49 0.52 -1.26 0.28 118.94 123.79 2rjc s TRP 493 Ca -0.11 1.23 -0.03 0.00 0.02 0.00 0.00 56.10 57.21 2rjc s TRP 493 Cb -0.05 -2.53 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 2rjc s TRP 493 CO -0.02 0.51 0.06 -1.50 0.02 0.00 0.00 176.95 176.02 2rjc s ILE 494 N -0.79 0.07 0.37 2.03 2.07 0.50 -4.97 121.20 120.49 2rjc s ILE 494 Ca 0.29 -0.62 -0.27 0.00 -1.41 0.00 0.00 60.65 58.64 2rjc s ILE 494 Cb -0.19 -0.29 -0.10 0.00 0.13 0.00 0.00 42.46 42.01 2rjc s ILE 494 CO 0.18 -0.34 1.34 -1.81 -1.91 0.00 0.00 174.94 172.40 2rjc s ASP 495 N -1.08 6.48 0.57 4.50 1.01 -1.26 -1.20 116.67 125.69 2rjc s ASP 495 Ca -0.12 2.75 0.26 0.00 0.71 0.00 0.00 52.55 56.15 2rjc s ASP 495 Cb -0.07 -2.65 1.62 0.00 1.01 0.00 0.00 42.92 42.83 2rjc s ASP 495 CO 0.00 -0.74 2.16 0.00 0.21 0.00 0.00 175.17 176.80 2rjc h ALA 496 N 2.99 1.80 -0.32 5.23 0.00 -1.64 -1.92 119.26 125.41 2rjc h ALA 496 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2rjc h ALA 496 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2rjc h ALA 496 CO 0.64 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 2rjc n ASP 497 N -4.00 2.19 -4.70 0.00 5.75 -1.26 -4.85 116.55 109.67 2rjc n ASP 497 Ca -0.00 -1.88 -0.44 0.00 -0.01 0.00 0.00 54.79 52.46 2rjc n ASP 497 Cb 0.22 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2rjc n ASP 497 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2rjc n HIS 498 N 0.67 2.46 0.26 2.11 -0.00 -0.72 -4.90 115.22 115.10 2rjc n HIS 498 Ca 0.16 0.30 0.11 0.00 0.46 0.00 0.00 57.72 58.75 2rjc n HIS 498 Cb 0.38 -2.54 0.54 0.00 -0.12 0.00 0.00 29.99 28.25 2rjc n HIS 498 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2rjc n PRO 499 N 2.59 0.16 -0.96 1.57 -0.04 -1.26 -3.26 135.00 133.79 2rjc n PRO 499 Ca 0.12 0.55 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 2rjc n PRO 499 Cb 0.33 -1.92 0.33 0.00 -0.04 0.00 0.00 33.50 32.20 2rjc n PRO 499 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rjc n ASP 500 N -2.25 5.02 -4.29 3.54 8.00 -1.26 -4.85 116.55 120.47 2rjc n ASP 500 Ca 0.00 -3.15 -0.27 0.00 0.71 0.00 0.00 54.79 52.08 2rjc n ASP 500 Cb 0.12 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 2rjc n ASP 500 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2rjc s ILE 501 N -2.94 1.85 0.05 0.53 -4.36 -1.20 -1.92 121.20 113.20 2rjc s ILE 501 Ca 0.54 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 2rjc s ILE 501 Cb 0.43 -1.60 0.01 0.00 1.25 0.00 0.00 42.46 42.55 2rjc s ILE 501 CO 0.14 0.26 0.25 -1.00 0.24 0.00 0.00 174.94 174.83 2rjc s HIS 502 N -0.81 -0.01 0.59 1.37 3.76 0.30 -4.84 115.29 115.64 2rjc s HIS 502 Ca 0.09 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 2rjc s HIS 502 Cb -0.09 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 2rjc s HIS 502 CO 0.02 -0.48 1.07 -2.14 -0.85 0.00 0.00 174.74 172.35 2rjc s PRO 503 N -2.72 3.31 0.11 8.40 0.02 -1.26 -0.79 135.00 142.06 2rjc s PRO 503 Ca -0.04 1.27 -0.36 0.00 0.02 0.00 0.00 61.00 61.89 2rjc s PRO 503 Cb -0.00 -2.03 -0.17 0.00 0.02 0.00 0.00 34.50 32.32 2rjc s PRO 503 CO -0.05 -0.83 1.21 0.00 -0.33 0.00 0.00 177.00 177.01 2rjc n ALA 504 N -1.92 -1.40 0.00 -1.55 0.00 -1.26 -1.49 120.51 112.89 2rjc n ALA 504 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2rjc n ALA 504 Cb 0.53 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2rjc n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjc n GLY 505 N 2.18 2.39 0.15 0.00 0.00 -1.26 -4.98 105.19 103.67 2rjc n GLY 505 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2rjc n GLY 505 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2rjc h TRP 506 N 0.00 0.41 0.01 1.61 7.01 -1.63 -1.63 115.95 121.73 2rjc h TRP 506 Ca 0.00 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 2rjc h TRP 506 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2rjc h TRP 506 CO 0.00 0.25 -0.01 0.00 -2.79 0.00 0.00 178.44 175.89 2rjc h SER 508 N -0.03 0.67 0.89 0.00 0.87 -1.68 0.47 113.55 114.74 2rjc h SER 508 Ca -0.00 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2rjc h SER 508 Cb 0.02 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2rjc h SER 508 CO 0.00 0.62 -0.16 0.11 -0.53 0.00 0.00 176.83 176.87 2rjc h LYS 509 N 0.68 0.00 -0.00 2.24 1.57 -1.27 -3.15 116.57 116.63 2rjc h LYS 509 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2rjc h LYS 509 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2rjc h LYS 509 CO -0.02 0.16 -0.89 0.25 -0.57 0.00 0.00 179.45 178.38 2rjc n THR 510 N -3.34 0.00 -2.19 -0.16 -2.24 -0.89 -4.88 114.28 100.58 2rjc n THR 510 Ca 0.00 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 2rjc n THR 510 Cb 0.38 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2rjc n THR 510 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rjc n GLY 511 N 1.45 0.38 3.63 3.38 0.00 -0.73 -3.71 105.19 109.58 2rjc n GLY 511 Ca 0.04 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2rjc n GLY 511 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rjc s HIS 512 N -2.35 3.18 0.39 1.61 5.04 0.08 -3.44 115.29 119.79 2rjc s HIS 512 Ca 0.02 0.04 -0.27 0.00 -1.54 0.00 0.00 55.06 53.31 2rjc s HIS 512 Cb -0.01 -1.95 -0.11 0.00 0.04 0.00 0.00 32.58 30.56 2rjc s HIS 512 CO 0.02 0.24 1.43 -2.30 -2.34 0.00 0.00 174.74 171.79 2rjc n PRO 513 N 3.00 2.44 -4.24 2.88 -0.02 -1.26 -4.14 135.00 133.66 2rjc n PRO 513 Ca -0.18 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 2rjc n PRO 513 Cb 0.53 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 2rjc n PRO 513 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2rjc s LEU 514 N -2.00 3.62 -0.16 2.45 2.96 -1.26 -4.50 118.68 119.79 2rjc s LEU 514 Ca 0.56 0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 54.32 2rjc s LEU 514 Cb -0.49 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2rjc s LEU 514 CO 0.62 0.27 0.71 -1.10 -1.32 0.00 0.00 176.35 175.52 2rjc s GLN 515 N -0.20 4.28 0.79 1.98 -1.52 0.21 -5.00 119.66 120.21 2rjc s GLN 515 Ca 0.06 0.80 -0.11 0.00 -1.95 0.00 0.00 55.36 54.16 2rjc s GLN 515 Cb -0.12 -3.55 0.07 0.00 -0.22 0.00 0.00 33.01 29.18 2rjc s GLN 515 CO 0.02 -0.21 1.09 -1.25 -0.25 0.00 0.00 175.29 174.69 2rjc s PRO 516 N 1.79 2.13 0.54 2.91 0.04 -1.26 -2.12 135.00 139.03 2rjc s PRO 516 Ca 0.34 0.67 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 2rjc s PRO 516 Cb -0.16 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2rjc s PRO 516 CO 0.12 -1.60 0.48 -2.30 0.04 0.00 0.00 177.00 173.74 2rjc n PRO 517 N -3.42 0.49 -2.29 0.56 -0.02 -1.26 -4.79 135.00 124.26 2rjc n PRO 517 Ca 0.07 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 2rjc n PRO 517 Cb 0.56 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 2rjc n PRO 517 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2rjc s LEU 518 N 1.21 4.40 0.00 2.45 2.96 -0.98 -4.95 118.68 123.78 2rjc s LEU 518 Ca 0.67 2.25 0.27 0.00 -0.22 0.00 0.00 54.13 57.10 2rjc s LEU 518 Cb -0.47 -3.60 0.77 0.00 0.50 0.00 0.00 46.19 43.40 2rjc s LEU 518 CO 0.56 -0.50 1.59 0.61 -1.32 0.00 0.00 176.35 177.28