#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikr h ALA 205 N 0.00 0.67 -0.07 3.52 0.00 -2.06 0.30 119.26 121.63 3ikr h ALA 205 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ikr h ALA 205 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ikr h ALA 205 CO 0.00 0.35 -0.03 0.66 0.00 0.00 0.00 179.25 180.23 3ikr h SER 206 N 0.70 0.14 -0.72 0.00 4.64 -2.06 -2.67 113.55 113.58 3ikr h SER 206 Ca 0.16 -0.40 0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3ikr h SER 206 Cb 0.31 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 3ikr h SER 206 CO -0.00 0.51 0.48 0.25 -0.87 0.00 0.00 176.83 177.19 3ikr h LEU 207 N -0.23 0.46 -0.67 5.97 5.85 -1.96 -0.13 115.31 124.60 3ikr h LEU 207 Ca 0.02 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3ikr h LEU 207 Cb 0.45 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3ikr h LEU 207 CO 0.01 0.26 0.10 -0.09 -0.34 0.00 0.00 178.44 178.38 3ikr h ARG 208 N 0.50 1.11 -0.16 1.25 1.12 -0.75 -0.71 114.38 116.75 3ikr h ARG 208 Ca 0.34 -0.30 -0.15 0.00 -1.11 0.00 0.00 59.98 58.76 3ikr h ARG 208 Cb 0.64 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 3ikr h ARG 208 CO -0.11 1.02 -0.55 0.37 -3.11 0.00 0.00 179.97 177.58 3ikr h GLN 209 N 1.03 0.47 -0.11 0.20 4.15 -0.72 -2.65 115.11 117.48 3ikr h GLN 209 Ca 0.20 -0.30 -0.19 0.00 0.77 0.00 0.00 58.65 59.14 3ikr h GLN 209 Cb 0.45 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3ikr h GLN 209 CO 0.01 0.90 -0.71 1.96 -1.93 0.00 0.00 178.83 179.06 3ikr h GLN 210 N 0.36 0.50 -0.50 1.69 4.20 -1.06 -2.34 115.11 117.97 3ikr h GLN 210 Ca 0.01 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 3ikr h GLN 210 Cb 1.08 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3ikr h GLN 210 CO 0.10 1.02 -0.00 0.28 -0.67 0.00 0.00 178.83 179.56 3ikr h VAL 211 N 0.35 1.25 -0.17 -0.54 2.07 -1.10 0.28 116.25 118.39 3ikr h VAL 211 Ca -0.03 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 3ikr h VAL 211 Cb 1.29 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3ikr h VAL 211 CO 0.13 0.36 -0.34 -0.08 0.02 0.00 0.00 177.57 177.66 3ikr h GLU 212 N 0.77 0.35 -0.24 1.57 4.81 -1.37 0.48 114.58 120.95 3ikr h GLU 212 Ca 0.15 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3ikr h GLU 212 Cb 0.47 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3ikr h GLU 212 CO 0.02 0.65 -0.39 0.00 -0.73 0.00 0.00 179.01 178.56 3ikr h ALA 213 N 1.35 0.37 -0.52 2.92 0.00 -0.85 -1.95 119.26 120.58 3ikr h ALA 213 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3ikr h ALA 213 Cb 0.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ikr h ALA 213 CO 0.06 0.46 0.22 1.25 0.00 0.00 0.00 179.25 181.24 3ikr h LEU 214 N 0.41 0.71 -0.67 0.00 5.85 -0.68 -1.09 115.31 119.83 3ikr h LEU 214 Ca 0.02 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3ikr h LEU 214 Cb 0.98 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3ikr h LEU 214 CO 0.09 0.67 0.39 1.56 -0.34 0.00 0.00 178.44 180.81 3ikr h GLN 215 N 0.70 0.71 -0.62 1.25 4.20 -0.84 -0.42 115.11 120.10 3ikr h GLN 215 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3ikr h GLN 215 Cb 0.17 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3ikr h GLN 215 CO -0.02 0.47 0.23 0.78 -0.67 0.00 0.00 178.83 179.63 3ikr h GLY 216 N 0.73 0.98 0.98 3.46 0.00 -0.84 -0.85 103.07 107.53 3ikr h GLY 216 Ca 0.29 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3ikr h GLY 216 CO -0.16 0.49 -0.05 1.46 0.00 0.00 0.00 176.54 178.28 3ikr h GLN 217 N 0.89 0.79 -0.49 4.80 4.20 -0.15 -1.68 115.11 123.48 3ikr h GLN 217 Ca 0.21 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3ikr h GLN 217 Cb 0.20 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3ikr h GLN 217 CO -0.02 0.89 -0.05 0.28 -0.67 0.00 0.00 178.83 179.26 3ikr h VAL 218 N 0.62 1.27 -0.70 -0.54 2.07 -0.83 -1.72 116.25 116.42 3ikr h VAL 218 Ca 0.11 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3ikr h VAL 218 Cb 0.57 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3ikr h VAL 218 CO 0.03 0.40 0.22 1.56 0.02 0.00 0.00 177.57 179.81 3ikr h GLN 219 N 0.75 1.06 -0.36 1.57 1.08 -1.09 -0.44 115.11 117.69 3ikr h GLN 219 Ca 0.13 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3ikr h GLN 219 Cb 0.58 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3ikr h GLN 219 CO 0.03 0.90 0.19 1.25 -0.95 0.00 0.00 178.83 180.25 3ikr h HIS 220 N 1.03 0.51 -0.85 2.96 -0.00 -1.12 -2.30 115.15 115.38 3ikr h HIS 220 Ca 0.23 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 3ikr h HIS 220 Cb 0.28 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 3ikr h HIS 220 CO 0.02 0.42 0.41 -0.07 -0.00 0.00 0.00 177.93 178.71 3ikr h LEU 221 N 0.45 1.11 -0.87 0.26 3.38 -0.84 0.68 115.31 119.49 3ikr h LEU 221 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ikr h LEU 221 Cb 0.09 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3ikr h LEU 221 CO -0.02 0.94 0.49 1.56 0.09 0.00 0.00 178.44 181.50 3ikr h GLN 222 N 1.21 1.21 -0.19 1.13 4.20 -0.85 0.38 115.11 122.20 3ikr h GLN 222 Ca 0.29 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 3ikr h GLN 222 Cb 0.12 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3ikr h GLN 222 CO -0.04 0.88 -0.38 0.00 -0.67 0.00 0.00 178.83 178.62 3ikr h ALA 223 N 1.26 0.30 -0.46 3.87 0.00 -1.03 -2.26 119.26 120.95 3ikr h ALA 223 Ca 0.31 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3ikr h ALA 223 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ikr h ALA 223 CO -0.05 0.38 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 3ikr h ALA 224 N 0.59 0.64 -0.54 0.00 0.00 -0.62 -2.70 119.26 116.63 3ikr h ALA 224 Ca 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3ikr h ALA 224 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ikr h ALA 224 CO 0.08 0.56 0.12 0.35 0.00 0.00 0.00 179.25 180.36 3ikr h PHE 225 N 0.75 0.92 -0.78 0.00 3.57 -0.28 -1.26 116.94 119.84 3ikr h PHE 225 Ca 0.11 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3ikr h PHE 225 Cb 0.69 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3ikr h PHE 225 CO 0.05 0.80 0.51 1.03 -2.23 0.00 0.00 178.31 178.48 3ikr h SER 226 N 0.76 0.88 -0.33 0.41 0.87 -1.34 -0.19 113.55 114.62 3ikr h SER 226 Ca 0.17 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3ikr h SER 226 Cb 0.36 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3ikr h SER 226 CO 0.00 0.63 0.07 -0.61 -0.53 0.00 0.00 176.83 176.39 3ikr h GLN 227 N 1.04 0.53 -0.72 2.24 4.15 -1.28 -2.92 115.11 118.14 3ikr h GLN 227 Ca 0.30 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3ikr h GLN 227 Cb -0.08 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 3ikr h GLN 227 CO -0.08 0.60 0.48 -0.92 -1.93 0.00 0.00 178.83 176.98 3ikr h TYR 228 N 0.37 0.91 -0.52 3.99 5.03 -0.69 -2.32 116.97 123.73 3ikr h TYR 228 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 3ikr h TYR 228 Cb 0.31 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 3ikr h TYR 228 CO 0.02 0.57 0.27 0.87 -1.32 0.00 0.00 178.16 178.56 3ikr h LYS 229 N 0.97 0.74 -0.77 1.82 1.57 -0.86 0.02 116.57 120.06 3ikr h LYS 229 Ca 0.27 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3ikr h LYS 229 Cb -0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 3ikr h LYS 229 CO -0.06 0.59 0.41 0.87 -0.57 0.00 0.00 179.45 180.69 3ikr h LYS 230 N 0.69 1.09 -0.22 3.15 1.57 -1.33 -1.94 116.57 119.58 3ikr h LYS 230 Ca 0.18 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3ikr h LYS 230 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3ikr h LYS 230 CO -0.03 0.81 0.09 0.28 -0.57 0.00 0.00 179.45 180.04 3ikr h VAL 231 N 1.07 1.16 -0.32 0.50 2.07 -1.00 -2.74 116.25 117.00 3ikr h VAL 231 Ca 0.27 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3ikr h VAL 231 Cb 0.05 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3ikr h VAL 231 CO -0.04 0.16 0.09 -0.08 0.02 0.00 0.00 177.57 177.72 3ikr h GLU 232 N 0.20 0.21 0.00 1.57 4.57 -0.71 -2.55 114.58 117.88 3ikr h GLU 232 Ca 0.07 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3ikr h GLU 232 Cb 0.17 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3ikr h GLU 232 CO -0.01 0.14 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.84 3ikr h LEU 233 N 0.21 0.00 -9.15 1.64 3.38 -1.29 -3.42 115.31 106.68 3ikr h LEU 233 Ca 0.15 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.53 3ikr h LEU 233 Cb 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3ikr h LEU 233 CO -0.17 0.05 0.22 0.12 0.09 0.00 0.00 178.44 178.75 3ikr s PHE 234 N -3.93 3.41 -0.70 1.13 5.36 -0.96 -0.37 117.98 121.91 3ikr s PHE 234 Ca -0.02 1.07 0.09 0.00 -0.96 0.00 0.00 56.93 57.12 3ikr s PHE 234 Cb 0.11 -2.88 0.26 0.00 -0.34 0.00 0.00 43.02 40.17 3ikr s PHE 234 CO 0.53 -0.18 1.21 -0.35 -1.46 0.00 0.00 175.22 174.97 3ikr n PRO 235 N 5.03 2.88 -0.13 10.12 -0.04 -1.26 -4.91 135.00 146.70 3ikr n PRO 235 Ca 0.01 -1.99 0.10 0.00 -0.04 0.00 0.00 63.50 61.58 3ikr n PRO 235 Cb 0.49 -1.25 0.17 0.00 -0.04 0.00 0.00 33.50 32.87 3ikr n PRO 235 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ikr n ASN 236 N 0.25 3.13 -4.44 3.54 3.02 -1.01 -5.00 115.26 114.75 3ikr n ASN 236 Ca 0.10 -1.92 -0.22 0.00 -0.03 0.00 0.00 54.58 52.51 3ikr n ASN 236 Cb 0.42 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 3ikr n ASN 236 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ikr s GLY 237 N -1.44 1.80 -0.09 7.41 0.00 0.50 -1.43 107.32 114.07 3ikr s GLY 237 Ca 0.32 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 3ikr s GLY 237 CO 0.27 -1.89 0.20 1.20 0.00 0.00 0.00 173.10 172.88 3ikr s GLN 238 N -3.63 0.12 -0.16 2.90 -1.52 0.14 -4.73 119.66 112.78 3ikr s GLN 238 Ca 0.28 0.52 -0.08 0.00 -1.95 0.00 0.00 55.36 54.14 3ikr s GLN 238 Cb 0.00 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.59 3ikr s GLN 238 CO 0.12 -0.21 0.09 0.45 -0.25 0.00 0.00 175.29 175.49 3ikr s SER 239 N 1.63 5.93 -0.18 5.90 0.15 -1.26 -0.67 113.70 125.20 3ikr s SER 239 Ca -0.05 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 3ikr s SER 239 Cb -0.11 -1.98 0.08 0.00 -1.71 0.00 0.00 66.02 62.30 3ikr s SER 239 CO -0.07 0.25 0.23 0.54 1.20 0.00 0.00 173.24 175.39 3ikr s VAL 240 N -0.07 -0.35 0.00 4.45 0.11 -0.12 -5.02 120.40 119.40 3ikr s VAL 240 Ca 0.08 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3ikr s VAL 240 Cb -0.12 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 3ikr s VAL 240 CO 0.01 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 3ikr n GLY 241 N 5.33 2.46 0.95 6.54 0.00 -1.26 -1.51 105.19 117.71 3ikr n GLY 241 Ca -0.05 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3ikr n GLY 241 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikr n GLU 242 N 13.35 2.29 -3.76 1.61 1.02 -1.26 -4.94 120.64 128.95 3ikr n GLU 242 Ca 0.00 -1.91 -0.33 0.00 -0.02 0.00 0.00 57.16 54.90 3ikr n GLU 242 Cb 0.00 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 3ikr n GLU 242 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3ikr s LYS 243 N -1.84 3.58 -0.09 3.49 2.20 -0.57 -5.01 119.74 121.50 3ikr s LYS 243 Ca 0.32 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.82 3ikr s LYS 243 Cb 0.21 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 3ikr s LYS 243 CO 0.31 0.60 -0.10 0.42 -0.36 0.00 0.00 175.35 176.22 3ikr s ILE 244 N -1.41 1.08 -0.13 5.43 1.01 -0.60 -0.94 121.20 125.63 3ikr s ILE 244 Ca 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 3ikr s ILE 244 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3ikr s ILE 244 CO 0.20 0.36 0.16 -0.36 0.00 0.00 0.00 174.94 175.30 3ikr s PHE 245 N 1.25 3.55 -0.06 3.97 0.08 0.15 -0.46 117.98 126.47 3ikr s PHE 245 Ca -0.04 0.51 -0.02 0.00 0.12 0.00 0.00 56.93 57.50 3ikr s PHE 245 Cb -0.14 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3ikr s PHE 245 CO -0.03 0.59 0.13 0.21 -0.10 0.00 0.00 175.22 176.02 3ikr s LYS 246 N -0.60 0.07 0.12 0.44 2.20 -0.01 -0.68 119.74 121.28 3ikr s LYS 246 Ca 0.14 0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 56.03 3ikr s LYS 246 Cb -0.12 -0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 35.95 3ikr s LYS 246 CO 0.03 -0.17 0.39 -0.08 -0.36 0.00 0.00 175.35 175.16 3ikr s THR 247 N 1.17 5.14 -0.71 3.43 -1.32 -0.52 -1.10 115.64 121.73 3ikr s THR 247 Ca -0.09 0.21 0.26 0.00 -1.21 0.00 0.00 61.69 60.85 3ikr s THR 247 Cb -0.12 -3.62 0.24 0.00 -1.51 0.00 0.00 72.50 67.48 3ikr s THR 247 CO -0.06 0.14 1.68 0.00 -2.21 0.00 0.00 174.62 174.17 3ikr n ALA 248 N 0.42 2.42 -0.77 11.08 0.00 -0.46 -4.92 120.51 128.28 3ikr n ALA 248 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ikr n ALA 248 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ikr n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikr n GLY 249 N 1.31 0.76 3.19 0.00 0.00 -1.26 -5.03 105.19 104.17 3ikr n GLY 249 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3ikr n GLY 249 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ikr s PHE 250 N -2.82 0.99 0.06 1.61 -0.12 -1.26 -5.03 117.98 111.41 3ikr s PHE 250 Ca 0.00 -1.28 0.01 0.00 -0.05 0.00 0.00 56.93 55.61 3ikr s PHE 250 Cb 0.00 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 3ikr s PHE 250 CO 0.00 -0.60 0.16 0.14 -0.05 0.00 0.00 175.22 174.87 3ikr s VAL 251 N -4.11 5.07 0.10 -2.49 -7.23 -1.26 -1.59 120.40 108.89 3ikr s VAL 251 Ca 0.32 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.80 3ikr s VAL 251 Cb 0.07 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.59 3ikr s VAL 251 CO 0.07 0.15 0.42 -0.54 -0.31 0.00 0.00 175.10 174.89 3ikr s LYS 252 N -2.43 1.03 0.80 4.82 -0.14 -0.50 -4.82 119.74 118.50 3ikr s LYS 252 Ca 0.32 -0.57 -0.11 0.00 -1.36 0.00 0.00 55.97 54.25 3ikr s LYS 252 Cb -0.13 0.46 0.07 0.00 -1.68 0.00 0.00 37.83 36.55 3ikr s LYS 252 CO 0.25 -0.39 1.09 -2.14 -0.76 0.00 0.00 175.35 173.40 3ikr s PRO 253 N -3.33 2.06 0.17 -1.68 0.02 -1.26 -1.79 135.00 129.19 3ikr s PRO 253 Ca -0.00 0.98 -0.23 0.00 0.02 0.00 0.00 61.00 61.77 3ikr s PRO 253 Cb 0.01 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.70 3ikr s PRO 253 CO -0.09 -1.73 1.59 0.35 -0.33 0.00 0.00 177.00 176.80 3ikr h PHE 254 N -1.18 -0.94 -0.55 6.54 3.57 -1.39 -0.69 116.94 122.29 3ikr h PHE 254 Ca -0.46 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.17 3ikr h PHE 254 Cb 1.25 0.48 -0.06 0.00 2.79 0.00 0.00 35.95 40.41 3ikr h PHE 254 CO 0.53 -0.39 0.23 1.15 -2.23 0.00 0.00 178.31 177.60 3ikr h THR 255 N -0.25 0.86 -0.18 4.41 2.02 -1.92 0.24 112.91 118.09 3ikr h THR 255 Ca 0.18 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3ikr h THR 255 Cb 0.55 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3ikr h THR 255 CO -0.56 0.08 0.07 -0.33 0.37 0.00 0.00 175.52 175.15 3ikr h GLU 256 N 0.44 0.28 -0.61 6.66 3.07 -1.81 -1.39 114.58 121.22 3ikr h GLU 256 Ca 0.26 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3ikr h GLU 256 Cb 0.25 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 3ikr h GLU 256 CO -0.23 0.36 0.40 0.00 -1.40 0.00 0.00 179.01 178.14 3ikr h ALA 257 N 0.91 0.78 -0.50 3.43 0.00 -0.69 -1.50 119.26 121.68 3ikr h ALA 257 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ikr h ALA 257 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ikr h ALA 257 CO -0.00 0.20 0.33 0.37 0.00 0.00 0.00 179.25 180.15 3ikr h GLN 258 N 0.82 0.66 -0.66 0.00 4.15 -0.37 -2.48 115.11 117.23 3ikr h GLN 258 Ca 0.23 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 3ikr h GLN 258 Cb -0.09 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 3ikr h GLN 258 CO -0.05 0.44 0.21 1.25 -1.93 0.00 0.00 178.83 178.74 3ikr h LEU 259 N 0.68 0.95 -0.40 -2.39 5.85 -0.86 -2.05 115.31 117.08 3ikr h LEU 259 Ca 0.18 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ikr h LEU 259 Cb -0.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 3ikr h LEU 259 CO -0.04 0.91 0.18 -0.07 -0.34 0.00 0.00 178.44 179.08 3ikr h LEU 260 N 0.95 0.24 -0.35 2.25 3.38 -1.02 -0.37 115.31 120.39 3ikr h LEU 260 Ca 0.21 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3ikr h LEU 260 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ikr h LEU 260 CO -0.01 0.18 0.08 0.00 0.09 0.00 0.00 178.44 178.79 3ikr h THR 262 N 0.40 1.19 0.00 0.00 1.35 -1.11 -0.43 112.91 114.31 3ikr h THR 262 Ca 0.11 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 3ikr h THR 262 Cb 0.30 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3ikr h THR 262 CO 0.00 0.21 -0.14 1.56 -0.25 0.00 0.00 175.52 176.91 3ikr h GLN 263 N 0.74 0.00 -0.00 4.72 4.20 -1.02 -1.32 115.11 122.42 3ikr h GLN 263 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ikr h GLN 263 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ikr h GLN 263 CO -0.03 0.14 -0.03 0.00 -0.67 0.00 0.00 178.83 178.24 3ikr n ALA 264 N -2.26 2.67 -0.51 3.87 0.00 -0.79 -4.89 120.51 118.60 3ikr n ALA 264 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3ikr n ALA 264 Cb 0.28 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3ikr n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikr n GLY 265 N 1.13 0.72 0.00 0.00 0.00 -0.50 -5.03 105.19 101.51 3ikr n GLY 265 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ikr n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikr n GLY 266 N -2.51 5.38 3.75 -0.02 0.00 -0.24 -4.99 105.19 106.56 3ikr n GLY 266 Ca 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 3ikr n GLY 266 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ikr s GLN 267 N 3.33 1.64 0.65 1.61 -2.07 -1.12 -3.52 119.66 120.19 3ikr s GLN 267 Ca 0.00 -0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 52.51 3ikr s GLN 267 Cb 0.00 0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 32.51 3ikr s GLN 267 CO 0.00 -0.75 1.29 1.28 -1.32 0.00 0.00 175.29 175.80 3ikr n LEU 268 N -0.44 6.02 -4.62 2.60 4.77 -1.26 -0.31 117.00 123.76 3ikr n LEU 268 Ca -0.07 0.82 -0.56 0.00 -0.03 0.00 0.00 56.01 56.17 3ikr n LEU 268 Cb 0.61 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 3ikr n LEU 268 CO 0.14 -1.01 0.99 0.00 -1.33 0.00 0.00 177.39 176.18 3ikr n ALA 269 N -1.94 -1.26 -3.41 -1.18 0.00 -0.18 -4.23 120.51 108.31 3ikr n ALA 269 Ca 0.16 0.49 -0.26 0.00 0.00 0.00 0.00 53.44 53.83 3ikr n ALA 269 Cb 0.48 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 3ikr n ALA 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ikr n SER 270 N 3.28 1.26 -4.69 0.00 7.64 -1.26 -1.21 113.62 118.65 3ikr n SER 270 Ca 0.22 -2.86 -0.42 0.00 1.01 0.00 0.00 58.87 56.82 3ikr n SER 270 Cb 0.13 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 3ikr n SER 270 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3ikr s PRO 271 N -1.19 4.15 0.00 1.43 0.04 -1.26 -4.88 135.00 133.29 3ikr s PRO 271 Ca 0.34 2.56 0.10 0.00 0.04 0.00 0.00 61.00 64.04 3ikr s PRO 271 Cb 0.10 -3.64 0.23 0.00 0.04 0.00 0.00 34.50 31.23 3ikr s PRO 271 CO -0.12 -0.84 1.13 0.54 0.04 0.00 0.00 177.00 177.75 3ikr n ARG 272 N 5.81 2.22 -3.78 4.56 1.74 -1.26 -4.81 116.66 121.14 3ikr n ARG 272 Ca 0.18 -1.78 -0.07 0.00 -0.77 0.00 0.00 57.85 55.41 3ikr n ARG 272 Cb 0.39 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 3ikr n ARG 272 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ikr s SER 273 N -0.97 -0.28 0.30 0.55 1.04 -1.26 -4.57 113.70 108.51 3ikr s SER 273 Ca 0.19 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 3ikr s SER 273 Cb 0.11 0.66 0.45 0.00 0.10 0.00 0.00 66.02 67.33 3ikr s SER 273 CO 0.14 -1.19 1.89 0.00 0.98 0.00 0.00 173.24 175.06 3ikr h ALA 274 N 2.00 1.32 -0.46 5.32 0.00 -1.97 -0.67 119.26 124.80 3ikr h ALA 274 Ca -0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3ikr h ALA 274 Cb 1.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ikr h ALA 274 CO 0.25 0.52 0.13 0.00 0.00 0.00 0.00 179.25 180.16 3ikr h ALA 275 N 1.42 0.61 -0.40 0.00 0.00 -1.99 -0.78 119.26 118.11 3ikr h ALA 275 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3ikr h ALA 275 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ikr h ALA 275 CO -0.03 0.28 -0.30 0.93 0.00 0.00 0.00 179.25 180.13 3ikr h GLU 276 N 0.61 0.89 -0.79 0.00 5.08 -1.88 -2.56 114.58 115.93 3ikr h GLU 276 Ca 0.15 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3ikr h GLU 276 Cb 0.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3ikr h GLU 276 CO -0.00 1.06 0.36 -0.97 -1.00 0.00 0.00 179.01 178.46 3ikr h ASN 277 N 0.75 1.05 -0.36 1.42 -1.24 -0.90 -1.19 115.58 115.10 3ikr h ASN 277 Ca 0.08 -0.13 -0.09 0.00 0.71 0.00 0.00 56.30 56.87 3ikr h ASN 277 Cb 0.86 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3ikr h ASN 277 CO 0.08 0.89 -0.09 0.00 -1.29 0.00 0.00 177.43 177.02 3ikr h ALA 278 N 1.26 1.00 -0.17 1.57 0.00 -1.01 0.29 119.26 122.20 3ikr h ALA 278 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ikr h ALA 278 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ikr h ALA 278 CO -0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3ikr h ALA 279 N 1.17 0.23 -0.94 0.00 0.00 -1.03 -2.50 119.26 116.19 3ikr h ALA 279 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ikr h ALA 279 Cb 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3ikr h ALA 279 CO 0.04 -0.07 0.58 1.25 0.00 0.00 0.00 179.25 181.05 3ikr h LEU 280 N 0.05 1.12 -1.41 0.00 5.85 -1.07 -2.20 115.31 117.65 3ikr h LEU 280 Ca 0.05 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3ikr h LEU 280 Cb 0.38 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3ikr h LEU 280 CO 0.01 0.85 0.48 -0.61 -0.34 0.00 0.00 178.44 178.83 3ikr h GLN 281 N 1.29 0.67 -0.87 1.25 4.15 -0.70 -1.77 115.11 119.14 3ikr h GLN 281 Ca 0.34 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.74 3ikr h GLN 281 Cb -0.08 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.42 3ikr h GLN 281 CO -0.07 0.44 0.57 1.96 -1.93 0.00 0.00 178.83 179.81 3ikr h GLN 282 N 0.69 1.09 -0.32 1.69 4.20 -0.95 -0.36 115.11 121.15 3ikr h GLN 282 Ca 0.32 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 3ikr h GLN 282 Cb 0.36 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3ikr h GLN 282 CO -0.11 0.72 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.22 3ikr h LEU 283 N 1.12 0.97 -0.63 1.46 3.38 -1.38 -0.40 115.31 119.83 3ikr h LEU 283 Ca 0.33 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ikr h LEU 283 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3ikr h LEU 283 CO -0.09 1.29 0.32 0.58 0.09 0.00 0.00 178.44 180.64 3ikr h VAL 284 N 0.68 1.21 -0.36 1.22 2.07 -1.13 -0.88 116.25 119.06 3ikr h VAL 284 Ca 0.03 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 3ikr h VAL 284 Cb 1.08 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3ikr h VAL 284 CO 0.11 0.24 -0.11 0.58 0.02 0.00 0.00 177.57 178.41 3ikr h VAL 285 N 0.86 1.28 -0.98 2.57 2.07 -1.04 0.33 116.25 121.35 3ikr h VAL 285 Ca 0.22 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3ikr h VAL 285 Cb 0.09 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3ikr h VAL 285 CO -0.03 0.39 0.64 0.00 0.02 0.00 0.00 177.57 178.60 3ikr h ALA 286 N 0.81 1.34 -0.00 1.67 0.00 -0.73 -2.31 119.26 120.05 3ikr h ALA 286 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ikr h ALA 286 Cb 0.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ikr h ALA 286 CO 0.04 0.58 -0.67 1.63 0.00 0.00 0.00 179.25 180.83 3ikr n LYS 287 N -4.42 0.02 -3.90 0.00 4.76 -0.36 -4.96 118.16 109.29 3ikr n LYS 287 Ca 0.12 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 3ikr n LYS 287 Cb 0.06 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.78 3ikr n LYS 287 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ikr n ASN 288 N -1.48 -4.43 -3.70 4.39 5.15 0.11 -4.97 115.26 110.33 3ikr n ASN 288 Ca 0.05 -0.79 -0.18 0.00 -0.60 0.00 0.00 54.58 53.06 3ikr n ASN 288 Cb 0.33 -3.87 -0.17 0.00 -0.53 0.00 0.00 39.78 35.54 3ikr n ASN 288 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ikr s GLU 289 N -6.57 -0.03 0.56 1.20 0.41 -0.93 -5.04 118.70 108.29 3ikr s GLU 289 Ca 0.60 0.38 -0.21 0.00 -0.41 0.00 0.00 54.97 55.33 3ikr s GLU 289 Cb -0.30 -0.38 -0.04 0.00 -1.78 0.00 0.00 34.13 31.63 3ikr s GLU 289 CO 0.83 -0.28 1.36 0.00 -0.49 0.00 0.00 175.26 176.68 3ikr s ALA 290 N 1.90 2.76 0.23 5.21 0.00 -1.26 -4.65 121.76 125.95 3ikr s ALA 290 Ca 0.01 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.42 3ikr s ALA 290 Cb -0.12 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3ikr s ALA 290 CO -0.04 -1.43 -0.21 0.00 0.00 0.00 0.00 175.76 174.08 3ikr s ALA 291 N -1.30 2.57 0.30 0.00 0.00 -1.02 -0.94 121.76 121.37 3ikr s ALA 291 Ca 0.73 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 3ikr s ALA 291 Cb -0.41 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 3ikr s ALA 291 CO 0.47 0.33 0.81 -0.06 0.00 0.00 0.00 175.76 177.32 3ikr s PHE 292 N -2.13 3.54 0.46 0.00 0.08 -1.12 -0.54 117.98 118.28 3ikr s PHE 292 Ca 0.25 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.85 3ikr s PHE 292 Cb -0.06 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 3ikr s PHE 292 CO 0.12 0.18 0.52 -0.51 -0.10 0.00 0.00 175.22 175.42 3ikr s LEU 293 N -2.42 3.32 0.37 -0.37 1.43 0.07 -4.43 118.68 116.65 3ikr s LEU 293 Ca 0.50 -0.74 0.21 0.00 -1.03 0.00 0.00 54.13 53.07 3ikr s LEU 293 Cb -0.14 -2.03 0.23 0.00 0.03 0.00 0.00 46.19 44.28 3ikr s LEU 293 CO 0.19 -0.88 1.50 0.77 0.23 0.00 0.00 176.35 178.16 3ikr h SER 294 N 0.72 0.00 -3.85 2.29 4.64 -1.33 -3.43 113.55 112.59 3ikr h SER 294 Ca -0.38 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.44 3ikr h SER 294 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3ikr h SER 294 CO 0.51 0.12 0.43 -0.04 -0.87 0.00 0.00 176.83 176.98 3ikr s MET 295 N -3.17 4.51 0.14 4.77 -1.94 -1.26 -4.47 119.30 117.88 3ikr s MET 295 Ca 0.05 1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 55.61 3ikr s MET 295 Cb 0.06 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 3ikr s MET 295 CO 0.70 0.14 0.23 0.95 -0.01 0.00 0.00 175.02 177.03 3ikr s THR 296 N -1.34 0.09 -0.25 2.05 -4.23 -0.92 -3.67 115.64 107.37 3ikr s THR 296 Ca 0.49 -1.39 0.10 0.00 -1.18 0.00 0.00 61.69 59.70 3ikr s THR 296 Cb -0.28 -1.73 0.45 0.00 1.34 0.00 0.00 72.50 72.28 3ikr s THR 296 CO 0.35 -0.41 1.20 -0.90 -0.54 0.00 0.00 174.62 174.31 3ikr n ASP 297 N -0.16 3.49 0.09 3.99 5.75 -0.85 -1.25 116.55 127.61 3ikr n ASP 297 Ca -0.09 -3.69 -0.00 0.00 -0.01 0.00 0.00 54.79 51.00 3ikr n ASP 297 Cb 0.63 -0.41 0.29 0.00 -1.03 0.00 0.00 41.12 40.59 3ikr n ASP 297 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3ikr h SER 298 N 1.73 0.27 0.14 -1.12 0.02 -1.85 -3.01 113.55 109.73 3ikr h SER 298 Ca 0.20 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ikr h SER 298 Cb 1.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3ikr h SER 298 CO 0.44 0.55 -0.07 0.50 -1.14 0.00 0.00 176.83 177.10 3ikr h LYS 299 N 0.24 -0.19 -4.05 3.45 3.64 -1.89 -3.42 116.57 114.35 3ikr h LYS 299 Ca 0.04 0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.83 3ikr h LYS 299 Cb 0.62 0.04 -0.39 0.00 -0.41 0.00 0.00 32.23 32.09 3ikr h LYS 299 CO 0.04 0.25 -0.76 0.99 -2.27 0.00 0.00 179.45 177.70 3ikr s THR 300 N -3.19 1.32 0.14 1.00 2.01 -1.22 -5.10 115.64 110.59 3ikr s THR 300 Ca -0.12 -1.40 -0.35 0.00 0.31 0.00 0.00 61.69 60.13 3ikr s THR 300 Cb 0.00 -1.82 -0.15 0.00 0.01 0.00 0.00 72.50 70.54 3ikr s THR 300 CO 0.45 -0.39 1.38 1.21 -0.69 0.00 0.00 174.62 176.58 3ikr n GLU 301 N 4.70 1.51 -0.21 4.92 4.07 -1.14 -0.95 120.64 133.54 3ikr n GLU 301 Ca -0.05 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 3ikr n GLU 301 Cb 0.43 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 3ikr n GLU 301 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ikr n GLY 302 N 2.65 0.93 2.84 8.31 0.00 -1.26 -5.01 105.19 113.65 3ikr n GLY 302 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3ikr n GLY 302 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ikr s LYS 303 N -0.60 1.02 0.17 1.61 2.20 -0.13 -5.12 119.74 118.89 3ikr s LYS 303 Ca 0.00 -1.30 -0.27 0.00 -0.36 0.00 0.00 55.97 54.04 3ikr s LYS 303 Cb 0.00 -2.41 -0.08 0.00 -1.51 0.00 0.00 37.83 33.83 3ikr s LYS 303 CO 0.00 -0.93 0.84 -0.06 -0.36 0.00 0.00 175.35 174.83 3ikr s PHE 304 N 1.39 3.91 0.11 4.03 0.40 -1.26 -4.27 117.98 122.28 3ikr s PHE 304 Ca 0.09 1.71 -0.01 0.00 -0.60 0.00 0.00 56.93 58.12 3ikr s PHE 304 Cb -0.18 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 3ikr s PHE 304 CO -0.18 0.45 0.04 0.95 0.70 0.00 0.00 175.22 177.18 3ikr s THR 305 N -0.95 0.13 0.82 0.64 -4.23 -0.38 -3.61 115.64 108.06 3ikr s THR 305 Ca 0.38 -1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 3ikr s THR 305 Cb -0.24 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 71.79 3ikr s THR 305 CO 0.28 -0.59 1.18 -0.31 -0.54 0.00 0.00 174.62 174.63 3ikr s TYR 306 N -4.01 2.90 0.59 3.99 2.02 -0.58 -2.16 117.35 120.09 3ikr s TYR 306 Ca 0.19 0.76 0.28 0.00 -0.37 0.00 0.00 57.07 57.94 3ikr s TYR 306 Cb 0.07 -3.49 1.55 0.00 -0.40 0.00 0.00 41.96 39.69 3ikr s TYR 306 CO -0.01 -1.85 1.99 -1.35 -1.57 0.00 0.00 175.55 172.76 3ikr h PRO 307 N -1.11 0.00 -0.00 -1.71 0.11 -1.91 -0.69 132.00 126.69 3ikr h PRO 307 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3ikr h PRO 307 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3ikr h PRO 307 CO 0.65 0.00 -0.81 1.79 -0.21 0.00 0.00 178.00 179.42 3ikr h THR 308 N 0.00 1.52 0.00 -1.15 1.35 -1.98 -3.47 112.91 109.18 3ikr h THR 308 Ca 0.16 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 3ikr h THR 308 Cb 0.86 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3ikr h THR 308 CO -0.00 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3ikr n GLY 309 N 0.76 1.41 3.77 5.82 0.00 -0.27 -5.10 105.19 111.57 3ikr n GLY 309 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3ikr n GLY 309 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ikr s GLU 310 N -0.04 3.94 0.62 1.61 2.12 -1.26 -4.72 118.70 120.97 3ikr s GLU 310 Ca 0.00 1.90 -0.16 0.00 0.36 0.00 0.00 54.97 57.08 3ikr s GLU 310 Cb 0.00 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 3ikr s GLU 310 CO 0.00 -0.43 1.10 -1.12 -0.54 0.00 0.00 175.26 174.26 3ikr s SER 311 N -1.09 5.39 0.34 -1.70 0.01 -1.26 -1.53 113.70 113.85 3ikr s SER 311 Ca 0.59 1.97 -0.29 0.00 1.31 0.00 0.00 55.95 59.53 3ikr s SER 311 Cb -0.32 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.24 3ikr s SER 311 CO 0.40 -1.44 1.47 0.18 0.41 0.00 0.00 173.24 174.26 3ikr n LEU 312 N -2.15 4.30 -0.45 2.44 4.77 -1.24 -4.82 117.00 119.85 3ikr n LEU 312 Ca 0.10 1.20 0.09 0.00 -0.03 0.00 0.00 56.01 57.36 3ikr n LEU 312 Cb 0.52 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.05 3ikr n LEU 312 CO 0.47 -0.02 0.32 1.33 -1.33 0.00 0.00 177.39 178.15 3ikr n VAL 313 N 0.94 0.00 -3.56 4.08 0.24 -1.26 -4.97 118.33 113.80 3ikr n VAL 313 Ca 0.04 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 3ikr n VAL 313 Cb 0.37 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 3ikr n VAL 313 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ikr s TYR 314 N -1.90 -0.59 0.04 6.34 6.14 -1.26 -4.96 117.35 121.15 3ikr s TYR 314 Ca 0.16 1.15 -0.13 0.00 0.64 0.00 0.00 57.07 58.88 3ikr s TYR 314 Cb 0.14 0.39 0.02 0.00 0.42 0.00 0.00 41.96 42.93 3ikr s TYR 314 CO 0.39 -0.47 0.30 -1.54 0.64 0.00 0.00 175.55 174.87 3ikr s SER 315 N -0.77 -0.11 -0.32 4.32 1.04 -1.26 -4.95 113.70 111.65 3ikr s SER 315 Ca -0.06 -0.20 0.18 0.00 0.48 0.00 0.00 55.95 56.35 3ikr s SER 315 Cb -0.01 0.35 0.46 0.00 0.10 0.00 0.00 66.02 66.92 3ikr s SER 315 CO 0.05 -0.61 1.03 -3.20 0.98 0.00 0.00 173.24 171.49 3ikr n ASN 316 N 0.57 1.00 -4.77 7.02 5.15 -1.26 -5.07 115.26 117.90 3ikr n ASN 316 Ca -0.19 -2.57 -0.40 0.00 -0.60 0.00 0.00 54.58 50.82 3ikr n ASN 316 Cb 0.59 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 3ikr n ASN 316 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3ikr s TRP 317 N -2.76 2.60 0.74 1.20 0.52 -1.26 -0.39 118.94 119.59 3ikr s TRP 317 Ca 0.26 1.26 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 3ikr s TRP 317 Cb 0.43 -3.90 0.04 0.00 -1.15 0.00 0.00 33.47 28.89 3ikr s TRP 317 CO 0.01 -2.75 1.08 0.00 0.02 0.00 0.00 176.95 175.31 3ikr s ALA 318 N -1.18 2.44 0.13 0.98 0.00 0.28 -4.68 121.76 119.74 3ikr s ALA 318 Ca 0.57 0.16 -0.35 0.00 0.00 0.00 0.00 51.96 52.34 3ikr s ALA 318 Cb -0.44 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.31 3ikr s ALA 318 CO 0.57 -1.52 1.41 -2.30 0.00 0.00 0.00 175.76 173.92 3ikr n PRO 319 N -3.34 1.57 -0.02 0.00 -0.02 -1.26 -1.59 135.00 130.34 3ikr n PRO 319 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3ikr n PRO 319 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3ikr n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikr n GLY 320 N 2.74 2.28 3.92 -1.23 0.00 -1.26 -5.03 105.19 106.62 3ikr n GLY 320 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3ikr n GLY 320 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ikr s GLU 321 N -0.23 3.53 0.28 1.61 0.41 -0.62 -4.02 118.70 119.68 3ikr s GLU 321 Ca 0.00 -0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 53.98 3ikr s GLU 321 Cb 0.00 -2.85 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 3ikr s GLU 321 CO 0.00 0.42 0.95 -1.25 -0.49 0.00 0.00 175.26 174.89 3ikr s PRO 322 N -3.16 4.71 0.00 0.39 0.04 -1.26 -4.70 135.00 131.01 3ikr s PRO 322 Ca 0.39 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3ikr s PRO 322 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3ikr s PRO 322 CO 0.28 0.38 0.87 0.27 0.04 0.00 0.00 177.00 178.84 3ikr n ASN 323 N 1.01 1.71 -4.26 6.66 6.94 -1.26 -5.02 115.26 121.04 3ikr n ASN 323 Ca 0.00 -1.75 -0.34 0.00 -0.02 0.00 0.00 54.58 52.48 3ikr n ASN 323 Cb 0.48 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.83 3ikr n ASN 323 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3ikr n ASP 324 N -0.37 -0.02 -4.66 0.53 2.03 -1.26 -4.77 116.55 108.02 3ikr n ASP 324 Ca 0.00 -1.27 -0.46 0.00 0.52 0.00 0.00 54.79 53.58 3ikr n ASP 324 Cb 0.20 -1.57 -0.03 0.00 -0.72 0.00 0.00 41.12 39.00 3ikr n ASP 324 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3ikr n ASP 325 N -2.71 2.74 0.00 1.67 2.03 -1.26 -0.25 116.55 118.77 3ikr n ASP 325 Ca -0.28 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.15 3ikr n ASP 325 Cb 0.67 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 3ikr n ASP 325 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ikr n GLY 326 N 2.52 0.20 2.36 0.27 0.00 -1.26 -2.37 105.19 106.91 3ikr n GLY 326 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3ikr n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikr n GLY 327 N -0.62 0.50 2.78 -0.02 0.00 0.65 -4.90 105.19 103.58 3ikr n GLY 327 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 3ikr n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ikr n SER 328 N -0.79 0.77 -4.00 1.61 3.41 -1.00 -5.04 113.62 108.58 3ikr n SER 328 Ca -0.17 -2.07 -0.31 0.00 -0.26 0.00 0.00 58.87 56.06 3ikr n SER 328 Cb 0.59 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 3ikr n SER 328 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ikr s GLU 329 N -2.74 1.49 0.00 4.33 2.02 -1.26 -4.16 118.70 118.39 3ikr s GLU 329 Ca 0.22 -1.77 0.06 0.00 0.02 0.00 0.00 54.97 53.50 3ikr s GLU 329 Cb 0.35 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.54 3ikr s GLU 329 CO -0.06 -0.91 0.70 -0.25 0.02 0.00 0.00 175.26 174.75 3ikr n ASP 330 N 4.31 1.52 -4.82 -0.19 8.00 -1.23 -4.54 116.55 119.60 3ikr n ASP 330 Ca 0.02 -1.27 -0.24 0.00 0.71 0.00 0.00 54.79 54.02 3ikr n ASP 330 Cb 0.42 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 3ikr n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikr s VAL 332 N -2.59 1.05 0.13 0.00 1.01 -1.24 -0.28 120.40 118.47 3ikr s VAL 332 Ca 0.42 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3ikr s VAL 332 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3ikr s VAL 332 CO 0.24 0.32 -0.19 -1.83 0.00 0.00 0.00 175.10 173.63 3ikr s GLU 333 N 0.20 1.72 -0.13 2.72 -1.05 -0.01 -0.75 118.70 121.41 3ikr s GLU 333 Ca -0.05 -1.25 0.01 0.00 -0.15 0.00 0.00 54.97 53.53 3ikr s GLU 333 Cb -0.10 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.52 3ikr s GLU 333 CO 0.01 0.46 -0.16 -1.50 0.95 0.00 0.00 175.26 175.03 3ikr s ILE 334 N -1.24 2.75 0.81 1.83 2.07 0.30 -1.43 121.20 126.29 3ikr s ILE 334 Ca 0.18 -0.76 -0.10 0.00 -1.41 0.00 0.00 60.65 58.56 3ikr s ILE 334 Cb -0.10 -2.14 0.12 0.00 0.13 0.00 0.00 42.46 40.47 3ikr s ILE 334 CO 0.10 0.53 1.15 -0.36 -1.91 0.00 0.00 174.94 174.44 3ikr s PHE 335 N 0.46 2.31 0.35 3.50 0.08 -0.33 -2.42 117.98 121.94 3ikr s PHE 335 Ca -0.11 0.37 0.39 0.00 0.12 0.00 0.00 56.93 57.69 3ikr s PHE 335 Cb -0.16 -3.53 1.86 0.00 -0.57 0.00 0.00 43.02 40.62 3ikr s PHE 335 CO 0.05 -1.93 2.16 1.79 -0.10 0.00 0.00 175.22 177.19 3ikr h THR 336 N -1.02 0.00 -0.09 0.64 1.35 -1.89 -0.26 112.91 111.64 3ikr h THR 336 Ca -0.44 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3ikr h THR 336 Cb 1.29 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3ikr h THR 336 CO 0.52 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.33 3ikr n ASN 337 N -3.07 1.46 0.00 5.36 0.23 -1.26 -4.72 115.26 113.26 3ikr n ASN 337 Ca -0.01 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 3ikr n ASN 337 Cb 0.19 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3ikr n ASN 337 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ikr n GLY 338 N 1.13 2.37 3.82 4.83 0.00 -0.11 -5.04 105.19 112.20 3ikr n GLY 338 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3ikr n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikr s LYS 339 N -0.35 3.28 0.12 1.61 -0.14 -1.26 -4.67 119.74 118.32 3ikr s LYS 339 Ca 0.00 1.07 0.04 0.00 -1.36 0.00 0.00 55.97 55.72 3ikr s LYS 339 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 3ikr s LYS 339 CO 0.00 -0.84 0.11 -1.58 -0.76 0.00 0.00 175.35 172.29 3ikr s TRP 340 N -2.71 3.18 -0.09 3.18 0.51 0.48 -1.19 118.94 122.30 3ikr s TRP 340 Ca 0.61 0.04 -0.06 0.00 -2.12 0.00 0.00 56.10 54.56 3ikr s TRP 340 Cb -0.14 -1.58 0.04 0.00 -0.81 0.00 0.00 33.47 30.98 3ikr s TRP 340 CO 0.43 0.52 0.23 1.21 -0.51 0.00 0.00 176.95 178.84 3ikr s ASN 341 N -2.72 -0.25 0.22 2.95 2.47 -0.52 -0.56 114.94 116.54 3ikr s ASN 341 Ca 0.30 0.49 -0.30 0.00 0.42 0.00 0.00 52.86 53.77 3ikr s ASN 341 Cb -0.11 0.42 -0.08 0.00 -1.45 0.00 0.00 41.25 40.03 3ikr s ASN 341 CO 0.23 -0.13 1.02 1.51 -3.72 0.00 0.00 177.10 176.01 3ikr s ASP 342 N 0.76 7.45 0.07 -4.21 -4.77 -1.26 -0.83 116.67 113.89 3ikr s ASP 342 Ca -0.05 2.03 -0.04 0.00 -3.30 0.00 0.00 52.55 51.19 3ikr s ASP 342 Cb -0.07 -2.61 -0.02 0.00 -1.09 0.00 0.00 42.92 39.13 3ikr s ASP 342 CO -0.05 -0.03 0.07 -0.60 0.70 0.00 0.00 175.17 175.26 3ikr s ARG 343 N -0.89 0.71 0.23 2.11 6.06 0.61 -4.86 118.95 122.92 3ikr s ARG 343 Ca 0.45 -1.10 -0.31 0.00 -2.50 0.00 0.00 55.73 52.26 3ikr s ARG 343 Cb -0.28 0.27 -0.12 0.00 0.06 0.00 0.00 34.95 34.88 3ikr s ARG 343 CO 0.34 -0.18 1.69 0.00 -2.50 0.00 0.00 175.30 174.66 3ikr s ALA 344 N -3.87 3.90 0.56 6.12 0.00 -1.26 -1.91 121.76 125.30 3ikr s ALA 344 Ca 0.06 1.59 0.40 0.00 0.00 0.00 0.00 51.96 54.01 3ikr s ALA 344 Cb 0.06 -3.69 2.13 0.00 0.00 0.00 0.00 23.12 21.63 3ikr s ALA 344 CO -0.10 -0.95 2.28 0.00 0.00 0.00 0.00 175.76 176.99 3ikr h GLY 346 N 0.35 0.00 -1.70 0.00 0.00 -1.94 -1.57 103.07 98.20 3ikr h GLY 346 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3ikr h GLY 346 CO 0.00 0.00 0.38 -0.54 0.00 0.00 0.00 176.54 176.38 3ikr s GLU 347 N -3.22 2.64 -0.23 4.80 0.41 -0.81 -4.73 118.70 117.56 3ikr s GLU 347 Ca 0.08 1.46 -0.11 0.00 -0.41 0.00 0.00 54.97 55.99 3ikr s GLU 347 Cb 0.10 -1.92 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 3ikr s GLU 347 CO 0.55 -1.38 0.20 0.15 -0.49 0.00 0.00 175.26 174.28 3ikr s LYS 348 N -4.07 4.11 0.16 1.61 1.02 -1.26 -3.89 119.74 117.41 3ikr s LYS 348 Ca 0.68 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.51 3ikr s LYS 348 Cb -0.22 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 3ikr s LYS 348 CO 0.42 0.08 -0.02 1.03 -0.92 0.00 0.00 175.35 175.94 3ikr s ARG 349 N 1.00 1.07 0.20 1.68 1.81 -0.74 -4.76 118.95 119.22 3ikr s ARG 349 Ca 0.10 -1.50 -0.33 0.00 -1.72 0.00 0.00 55.73 52.28 3ikr s ARG 349 Cb -0.13 -0.33 -0.14 0.00 -0.45 0.00 0.00 34.95 33.90 3ikr s ARG 349 CO 0.04 -0.08 1.50 -0.11 -0.68 0.00 0.00 175.30 175.97 3ikr n LEU 350 N -0.22 3.11 -4.62 2.53 7.94 -0.12 -1.41 117.00 124.22 3ikr n LEU 350 Ca -0.08 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.52 3ikr n LEU 350 Cb 0.62 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 3ikr n LEU 350 CO 0.33 -0.38 0.47 -0.69 -1.11 0.00 0.00 177.39 176.02 3ikr s VAL 351 N 0.46 4.91 -0.08 1.96 1.01 -0.62 -2.78 120.40 125.26 3ikr s VAL 351 Ca 0.74 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.86 3ikr s VAL 351 Cb -0.67 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 31.71 3ikr s VAL 351 CO 0.43 -0.09 -0.04 -0.69 0.00 0.00 0.00 175.10 174.71 3ikr s VAL 352 N 2.68 0.67 0.33 2.92 1.01 -1.26 -1.36 120.40 125.39 3ikr s VAL 352 Ca 0.29 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3ikr s VAL 352 Cb -0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3ikr s VAL 352 CO 0.10 0.29 0.20 0.00 0.00 0.00 0.00 175.10 175.69 3ikr s GLU 354 N -3.89 1.58 0.00 0.00 -1.05 0.57 -0.83 118.70 115.07 3ikr s GLU 354 Ca 0.38 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 3ikr s GLU 354 Cb -0.04 -1.65 0.00 0.00 -0.44 0.00 0.00 34.13 32.00 3ikr s GLU 354 CO 0.24 0.43 0.20 1.19 0.95 0.00 0.00 175.26 178.27