#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibj n THR 224 N 0.00 0.99 0.16 2.97 -1.04 -1.26 -1.48 114.28 114.61 3ibj n THR 224 Ca 0.00 0.64 0.04 0.00 -2.04 0.00 0.00 64.05 62.69 3ibj n THR 224 Cb 0.00 -1.63 0.14 0.00 -1.82 0.00 0.00 70.33 67.02 3ibj n THR 224 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3ibj h ASP 225 N 0.00 0.00 0.46 8.00 3.58 -2.06 -3.00 116.42 123.40 3ibj h ASP 225 Ca 0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 3ibj h ASP 225 Cb 0.07 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.14 3ibj h ASP 225 CO 0.00 0.46 -1.29 0.03 -2.88 0.00 0.00 179.24 175.56 3ibj h ARG 226 N 0.00 0.39 -0.85 0.28 2.47 -1.71 -3.12 114.38 111.85 3ibj h ARG 226 Ca -0.00 -0.63 0.00 0.00 -1.26 0.00 0.00 59.98 58.08 3ibj h ARG 226 Cb 1.21 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.76 3ibj h ARG 226 CO 0.06 1.29 0.00 -0.25 0.56 0.00 0.00 179.97 181.63 3ibj n ASP 227 N -3.63 1.06 0.01 7.04 9.92 -1.13 -0.47 116.55 129.35 3ibj n ASP 227 Ca -0.11 -1.44 -0.02 0.00 -0.53 0.00 0.00 54.79 52.68 3ibj n ASP 227 Cb 1.03 -0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 41.14 3ibj n ASP 227 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3ibj n ARG 228 N 0.26 0.07 -0.08 -1.24 0.63 -1.16 -4.36 116.66 110.77 3ibj n ARG 228 Ca 0.00 0.03 -0.02 0.00 -0.92 0.00 0.00 57.85 56.94 3ibj n ARG 228 Cb 0.22 -0.61 0.24 0.00 0.45 0.00 0.00 32.46 32.76 3ibj n ARG 228 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3ibj h LYS 229 N -0.12 0.70 0.57 -0.14 1.57 -1.43 0.45 116.57 118.17 3ibj h LYS 229 Ca -0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3ibj h LYS 229 Cb 0.60 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3ibj h LYS 229 CO -0.03 0.67 -0.27 0.82 -0.57 0.00 0.00 179.45 180.07 3ibj h ILE 230 N 0.68 0.15 -0.83 1.86 1.08 -1.04 -0.16 117.51 119.24 3ibj h ILE 230 Ca 0.15 -0.43 0.23 0.00 -0.39 0.00 0.00 64.86 64.42 3ibj h ILE 230 Cb 0.31 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3ibj h ILE 230 CO 0.00 0.03 0.59 0.25 -0.69 0.00 0.00 178.15 178.33 3ibj h LEU 231 N -1.13 0.08 -0.78 1.44 7.12 -1.75 1.12 115.31 121.41 3ibj h LEU 231 Ca -0.08 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.82 3ibj h LEU 231 Cb 0.63 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 3ibj h LEU 231 CO 0.13 0.03 -0.38 -0.61 -0.13 0.00 0.00 178.44 177.48 3ibj h GLN 232 N 0.08 0.47 0.00 1.25 4.15 -0.50 -2.62 115.11 117.93 3ibj h GLN 232 Ca 0.40 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ibj h GLN 232 Cb 1.48 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.16 3ibj h GLN 232 CO -0.04 0.78 0.00 -0.11 -1.93 0.00 0.00 178.83 177.53 3ibj n LEU 233 N -4.04 0.08 0.19 -2.39 7.94 0.38 -2.94 117.00 116.21 3ibj n LEU 233 Ca -0.01 0.83 0.14 0.00 -1.11 0.00 0.00 56.01 55.86 3ibj n LEU 233 Cb 0.49 -0.43 0.47 0.00 0.53 0.00 0.00 43.42 44.48 3ibj n LEU 233 CO 0.44 -0.43 1.12 0.00 -1.11 0.00 0.00 177.39 177.41 3ibj h GLY 235 N 0.00 0.29 1.11 0.00 0.00 -1.35 -3.22 103.07 99.91 3ibj h GLY 235 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 47.33 46.91 3ibj h GLY 235 CO -0.00 0.23 -1.62 0.83 0.00 0.00 0.00 176.54 175.98 3ibj h GLU 236 N 0.24 0.04 -4.47 4.80 4.39 0.55 -3.40 114.58 116.72 3ibj h GLU 236 Ca 0.03 -0.07 -0.65 0.00 0.34 0.00 0.00 59.36 59.01 3ibj h GLU 236 Cb 0.72 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3ibj h GLU 236 CO 0.05 0.66 2.50 1.28 -1.16 0.00 0.00 179.01 182.35 3ibj n LEU 237 N -3.15 5.05 -0.06 1.33 4.77 -0.74 -4.30 117.00 119.90 3ibj n LEU 237 Ca -0.16 -3.42 0.07 0.00 -0.03 0.00 0.00 56.01 52.48 3ibj n LEU 237 Cb 1.04 -1.40 0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3ibj n LEU 237 CO 0.45 0.08 0.55 0.00 -1.33 0.00 0.00 177.39 177.14 3ibj n TYR 238 N 7.58 0.00 -2.51 -1.77 0.18 -1.26 -4.95 117.16 114.43 3ibj n TYR 238 Ca 0.50 -0.86 -0.34 0.00 1.88 0.00 0.00 57.90 59.08 3ibj n TYR 238 Cb 0.41 -0.12 -0.03 0.00 -0.38 0.00 0.00 39.34 39.21 3ibj n TYR 238 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3ibj s ASP 239 N -2.40 6.33 0.29 9.48 1.11 -1.26 -4.97 116.67 125.26 3ibj s ASP 239 Ca 0.24 1.89 0.23 0.00 0.18 0.00 0.00 52.55 55.09 3ibj s ASP 239 Cb 0.21 -2.55 0.14 0.00 1.07 0.00 0.00 42.92 41.78 3ibj s ASP 239 CO 0.02 -0.79 1.27 -0.07 1.18 0.00 0.00 175.17 176.78 3ibj h LEU 240 N 1.45 0.00 -9.08 1.23 3.38 -1.99 -3.46 115.31 106.85 3ibj h LEU 240 Ca -0.49 -0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.88 3ibj h LEU 240 Cb 1.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 3ibj h LEU 240 CO 0.59 0.00 0.11 -0.62 0.09 0.00 0.00 178.44 178.61 3ibj s ASP 241 N -5.68 6.63 0.61 -0.43 2.15 -1.26 -4.93 116.67 113.76 3ibj s ASP 241 Ca 0.03 0.77 0.33 0.00 0.43 0.00 0.00 52.55 54.10 3ibj s ASP 241 Cb 0.08 -2.34 1.94 0.00 -0.30 0.00 0.00 42.92 42.30 3ibj s ASP 241 CO 0.74 -0.29 2.27 0.00 -0.17 0.00 0.00 175.17 177.72 3ibj h ALA 242 N 7.62 1.44 0.01 3.66 0.00 -1.88 -2.02 119.26 128.08 3ibj h ALA 242 Ca -0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ibj h ALA 242 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ibj h ALA 242 CO 0.77 -0.03 -0.00 0.77 0.00 0.00 0.00 179.25 180.76 3ibj h SER 243 N 0.00 -0.01 0.63 0.00 0.02 -1.93 -2.14 113.55 110.12 3ibj h SER 243 Ca 0.01 -0.62 -0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3ibj h SER 243 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3ibj h SER 243 CO -0.00 0.62 -0.01 0.28 -1.14 0.00 0.00 176.83 176.58 3ibj h SER 244 N -0.63 0.00 0.09 3.07 0.02 -1.86 -1.05 113.55 113.18 3ibj h SER 244 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3ibj h SER 244 Cb 0.62 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.18 3ibj h SER 244 CO 0.00 0.01 -0.84 -0.07 -1.14 0.00 0.00 176.83 174.79 3ibj h LEU 245 N 0.00 0.59 -1.64 5.07 3.38 -1.38 -3.19 115.31 118.14 3ibj h LEU 245 Ca -0.00 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.21 3ibj h LEU 245 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3ibj h LEU 245 CO 0.00 1.38 0.38 1.56 0.09 0.00 0.00 178.44 181.86 3ibj h GLN 246 N -0.12 0.40 0.64 1.13 4.20 -0.52 -2.28 115.11 118.57 3ibj h GLN 246 Ca -0.13 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 3ibj h GLN 246 Cb 1.59 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 29.28 3ibj h GLN 246 CO 0.16 0.27 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.21 3ibj h LEU 247 N 0.41 -0.73 -0.50 1.46 3.38 -1.36 -0.08 115.31 117.90 3ibj h LEU 247 Ca 0.26 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3ibj h LEU 247 Cb 0.48 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 3ibj h LEU 247 CO -0.07 -0.41 -0.26 0.11 0.09 0.00 0.00 178.44 177.90 3ibj h LYS 248 N -1.04 -0.14 -0.53 1.13 1.57 -1.52 0.61 116.57 116.65 3ibj h LYS 248 Ca -0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3ibj h LYS 248 Cb 0.70 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3ibj h LYS 248 CO 0.14 -0.09 0.34 0.28 -0.57 0.00 0.00 179.45 179.55 3ibj h VAL 249 N -0.15 1.15 0.82 0.50 2.07 -1.35 -1.72 116.25 117.57 3ibj h VAL 249 Ca 0.22 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3ibj h VAL 249 Cb 0.50 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3ibj h VAL 249 CO -0.59 0.14 -0.39 -0.07 0.02 0.00 0.00 177.57 176.68 3ibj h LEU 250 N 0.72 -0.93 -1.92 2.57 4.07 0.08 -2.07 115.31 117.82 3ibj h LEU 250 Ca 0.19 0.02 0.27 0.00 0.08 0.00 0.00 57.88 58.45 3ibj h LEU 250 Cb -0.06 0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 3ibj h LEU 250 CO -0.04 -0.62 0.75 1.56 -1.08 0.00 0.00 178.44 179.02 3ibj h GLN 251 N -1.19 0.00 0.09 1.13 7.50 0.29 0.84 115.11 123.77 3ibj h GLN 251 Ca -0.11 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 58.78 3ibj h GLN 251 Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.38 3ibj h GLN 251 CO 0.18 0.00 -1.16 -0.92 -1.50 0.00 0.00 178.83 175.43 3ibj h TYR 252 N 0.00 0.42 -0.02 2.96 3.20 -1.06 -3.19 116.97 119.29 3ibj h TYR 252 Ca 0.45 -0.30 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3ibj h TYR 252 Cb 1.95 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.21 3ibj h TYR 252 CO 0.00 1.21 -0.41 -0.07 -1.64 0.00 0.00 178.16 177.26 3ibj h LEU 253 N 0.08 0.39 -1.53 2.82 3.38 0.74 -2.55 115.31 118.64 3ibj h LEU 253 Ca -0.11 -0.74 0.44 0.00 0.09 0.00 0.00 57.88 57.57 3ibj h LEU 253 Cb 1.89 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.46 3ibj h LEU 253 CO 0.19 1.07 1.31 1.67 0.09 0.00 0.00 178.44 182.77 3ibj n GLN 254 N -4.37 0.01 0.00 1.13 7.27 0.24 -2.20 117.38 119.45 3ibj n GLN 254 Ca -0.10 1.03 0.00 0.00 0.07 0.00 0.00 57.00 58.00 3ibj n GLN 254 Cb 0.57 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.76 3ibj n GLN 254 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3ibj n GLN 255 N -3.57 0.00 0.00 3.69 6.02 -1.12 -2.93 117.38 119.46 3ibj n GLN 255 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3ibj n GLN 255 Cb 1.77 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 32.83 3ibj n GLN 255 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3ibj n GLU 256 N -0.45 0.00 0.00 -1.09 -0.58 -0.94 0.12 120.64 117.70 3ibj n GLU 256 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ibj n GLU 256 Cb 0.00 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3ibj n GLU 256 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3ibj n THR 257 N -0.40 0.00 -3.82 2.62 -2.24 -1.00 -4.98 114.28 104.47 3ibj n THR 257 Ca 0.00 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 3ibj n THR 257 Cb 0.00 1.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3ibj n THR 257 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ibj n ARG 258 N -0.10 -2.41 -4.40 -0.78 1.74 0.32 -4.79 116.66 106.24 3ibj n ARG 258 Ca 0.00 0.43 -0.34 0.00 -0.77 0.00 0.00 57.85 57.17 3ibj n ARG 258 Cb 0.12 -4.32 -0.10 0.00 -1.02 0.00 0.00 32.46 27.13 3ibj n ARG 258 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibj s ALA 259 N -3.71 3.20 0.06 7.54 0.00 -1.15 -0.03 121.76 127.67 3ibj s ALA 259 Ca 0.22 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 3ibj s ALA 259 Cb -0.08 -1.34 -0.12 0.00 0.00 0.00 0.00 23.12 21.57 3ibj s ALA 259 CO 0.87 0.61 1.38 0.66 0.00 0.00 0.00 175.76 179.28 3ibj h SER 260 N 4.79 0.49 -3.94 0.00 4.64 -0.83 -3.44 113.55 115.25 3ibj h SER 260 Ca -0.49 -0.47 -0.18 0.00 -0.47 0.00 0.00 61.79 60.18 3ibj h SER 260 Cb 1.18 -0.14 -0.26 0.00 -0.31 0.00 0.00 62.40 62.88 3ibj h SER 260 CO 0.55 0.86 -0.53 -0.13 -0.87 0.00 0.00 176.83 176.71 3ibj s ARG 261 N -4.36 0.22 0.10 4.77 0.52 -1.24 -5.03 118.95 113.94 3ibj s ARG 261 Ca -0.14 0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 3ibj s ARG 261 Cb 0.06 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 3ibj s ARG 261 CO 0.77 -0.03 -0.17 0.00 0.02 0.00 0.00 175.30 175.90 3ibj s LEU 264 N -2.15 2.53 -0.55 0.00 1.43 -1.26 -0.12 118.68 118.57 3ibj s LEU 264 Ca 0.04 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 3ibj s LEU 264 Cb -0.01 -1.55 0.13 0.00 0.03 0.00 0.00 46.19 44.80 3ibj s LEU 264 CO -0.06 0.18 0.52 -0.76 0.23 0.00 0.00 176.35 176.46 3ibj s LEU 265 N 0.24 6.15 -0.16 1.79 1.43 -0.19 -4.49 118.68 123.45 3ibj s LEU 265 Ca -0.11 -1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 50.91 3ibj s LEU 265 Cb -0.16 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3ibj s LEU 265 CO 0.06 -0.87 1.43 -0.76 0.23 0.00 0.00 176.35 176.44 3ibj s LEU 266 N 1.63 4.14 0.12 1.79 1.43 0.23 -1.58 118.68 126.44 3ibj s LEU 266 Ca 0.04 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.60 3ibj s LEU 266 Cb -0.29 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 3ibj s LEU 266 CO 0.03 -0.92 1.67 -0.69 0.23 0.00 0.00 176.35 176.67 3ibj s VAL 267 N 4.01 2.74 0.75 -1.59 1.01 -0.46 -1.89 120.40 124.97 3ibj s VAL 267 Ca 0.62 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.81 3ibj s VAL 267 Cb -0.25 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 32.96 3ibj s VAL 267 CO 0.22 0.01 1.18 -0.94 0.00 0.00 0.00 175.10 175.57 3ibj s SER 268 N 2.02 4.12 0.31 3.32 1.04 0.26 -4.83 113.70 119.94 3ibj s SER 268 Ca 0.74 2.27 0.05 0.00 0.48 0.00 0.00 55.95 59.49 3ibj s SER 268 Cb -0.43 -2.58 0.69 0.00 0.10 0.00 0.00 66.02 63.80 3ibj s SER 268 CO 0.33 -2.31 1.81 -0.33 0.98 0.00 0.00 173.24 173.72 3ibj h GLU 269 N -0.54 0.81 -0.17 4.02 5.08 -1.92 1.38 114.58 123.24 3ibj h GLU 269 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3ibj h GLU 269 Cb 1.28 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ibj h GLU 269 CO 0.49 0.54 0.00 -0.40 -1.00 0.00 0.00 179.01 178.64 3ibj n ASP 270 N -4.67 0.99 -3.47 1.42 5.68 -1.26 -4.90 116.55 110.34 3ibj n ASP 270 Ca 0.21 -1.92 -0.25 0.00 -0.50 0.00 0.00 54.79 52.32 3ibj n ASP 270 Cb 0.48 -0.11 -0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3ibj n ASP 270 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3ibj n ASN 271 N 0.01 -3.83 0.00 -1.12 3.02 0.47 -4.84 115.26 108.98 3ibj n ASN 271 Ca 0.08 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3ibj n ASN 271 Cb 0.17 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3ibj n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibj n LEU 272 N -3.86 0.87 -3.64 3.41 -0.00 -1.26 -4.89 117.00 107.63 3ibj n LEU 272 Ca -0.01 -0.87 -0.15 0.00 -0.00 0.00 0.00 56.01 54.99 3ibj n LEU 272 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.88 3ibj n LEU 272 CO 0.56 0.22 0.28 -1.10 -0.00 0.00 0.00 177.39 177.34 3ibj s GLN 273 N -0.41 0.81 0.03 1.47 -0.21 -1.26 -1.91 119.66 118.18 3ibj s GLN 273 Ca 0.00 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 55.73 3ibj s GLN 273 Cb 0.00 0.38 -0.05 0.00 1.00 0.00 0.00 33.01 34.35 3ibj s GLN 273 CO 0.00 -0.19 0.26 -0.51 -2.12 0.00 0.00 175.29 172.73 3ibj s LEU 274 N -0.57 4.36 -0.00 2.90 1.43 -0.24 0.92 118.68 127.46 3ibj s LEU 274 Ca -0.07 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3ibj s LEU 274 Cb -0.03 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3ibj s LEU 274 CO 0.05 0.22 -0.02 -0.44 0.23 0.00 0.00 176.35 176.39 3ibj s SER 275 N -1.92 0.24 -0.14 2.29 0.01 -0.79 -1.97 113.70 111.42 3ibj s SER 275 Ca 0.30 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 3ibj s SER 275 Cb -0.13 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.12 3ibj s SER 275 CO 0.19 0.01 0.10 0.00 0.41 0.00 0.00 173.24 173.95 3ibj n LYS 277 N 5.29 1.20 -3.53 0.00 2.85 -1.26 -1.56 118.16 121.15 3ibj n LYS 277 Ca -0.06 -1.15 -0.17 0.00 -1.05 0.00 0.00 58.31 55.88 3ibj n LYS 277 Cb 0.49 -1.24 -0.13 0.00 -0.65 0.00 0.00 35.03 33.50 3ibj n LYS 277 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ibj s VAL 278 N -1.29 -0.36 -0.17 0.58 1.01 -1.26 -1.33 120.40 117.58 3ibj s VAL 278 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 3ibj s VAL 278 Cb 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.88 3ibj s VAL 278 CO 0.22 -0.11 -0.14 -0.63 0.00 0.00 0.00 175.10 174.44 3ibj s ILE 279 N 2.36 2.65 0.00 2.22 1.01 -0.64 -4.28 121.20 124.51 3ibj s ILE 279 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3ibj s ILE 279 Cb -0.15 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3ibj s ILE 279 CO -0.11 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3ibj n GLY 280 N 4.36 2.78 1.12 6.18 0.00 -0.23 -1.67 105.19 117.73 3ibj n GLY 280 Ca -0.19 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.62 3ibj n GLY 280 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ibj n ASP 281 N 6.98 3.73 -4.35 1.61 5.75 -1.26 -4.69 116.55 124.32 3ibj n ASP 281 Ca 0.00 -3.22 -0.34 0.00 -0.01 0.00 0.00 54.79 51.23 3ibj n ASP 281 Cb 0.00 -0.60 -0.14 0.00 -1.03 0.00 0.00 41.12 39.35 3ibj n ASP 281 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3ibj s LYS 282 N -2.95 3.39 -0.73 0.11 2.36 -0.67 -5.07 119.74 116.18 3ibj s LYS 282 Ca 0.45 -0.66 -0.19 0.00 -2.55 0.00 0.00 55.97 53.02 3ibj s LYS 282 Cb 0.37 -2.78 0.12 0.00 -1.05 0.00 0.00 37.83 34.49 3ibj s LYS 282 CO 0.08 0.05 0.88 0.08 1.55 0.00 0.00 175.35 177.98 3ibj s VAL 283 N 0.80 4.80 0.14 4.02 1.01 -1.26 -1.62 120.40 128.29 3ibj s VAL 283 Ca -0.04 -1.23 -0.32 0.00 0.00 0.00 0.00 61.98 60.39 3ibj s VAL 283 Cb -0.15 -4.60 -0.18 0.00 0.00 0.00 0.00 36.38 31.45 3ibj s VAL 283 CO 0.01 -1.28 0.75 0.18 0.00 0.00 0.00 175.10 174.76 3ibj n LEU 284 N 6.35 -0.54 -0.22 3.92 4.77 -0.44 -4.88 117.00 125.95 3ibj n LEU 284 Ca 0.04 1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 57.08 3ibj n LEU 284 Cb 0.45 -0.97 0.03 0.00 -2.33 0.00 0.00 43.42 40.60 3ibj n LEU 284 CO 0.54 -2.47 0.97 1.23 -1.33 0.00 0.00 177.39 176.33 3ibj h GLY 285 N 1.82 1.03 -5.21 -0.72 0.00 -1.95 -3.42 103.07 94.62 3ibj h GLY 285 Ca -0.37 -0.59 -0.56 0.00 0.00 0.00 0.00 47.33 45.82 3ibj h GLY 285 CO 0.61 0.55 -0.84 -0.54 0.00 0.00 0.00 176.54 176.32 3ibj s GLU 286 N -5.46 1.70 0.02 4.80 0.41 -1.26 -5.09 118.70 113.82 3ibj s GLU 286 Ca -0.13 -0.61 -0.30 0.00 -0.41 0.00 0.00 54.97 53.52 3ibj s GLU 286 Cb 0.13 -1.51 -0.07 0.00 -1.78 0.00 0.00 34.13 30.91 3ibj s GLU 286 CO 0.81 0.27 1.56 -2.00 -0.49 0.00 0.00 175.26 175.41 3ibj s GLU 287 N -0.04 4.22 0.16 1.61 2.12 -1.26 -4.92 118.70 120.59 3ibj s GLU 287 Ca -0.02 2.17 -0.20 0.00 0.36 0.00 0.00 54.97 57.28 3ibj s GLU 287 Cb -0.11 -3.66 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 3ibj s GLU 287 CO 0.02 -0.70 0.67 0.08 -0.54 0.00 0.00 175.26 174.79 3ibj s VAL 288 N 2.81 4.60 0.22 3.70 1.01 -0.60 -4.91 120.40 127.23 3ibj s VAL 288 Ca 0.70 1.31 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 3ibj s VAL 288 Cb -0.35 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3ibj s VAL 288 CO 0.30 0.39 0.33 -0.94 0.00 0.00 0.00 175.10 175.18 3ibj s SER 289 N -1.39 0.01 0.00 3.32 1.04 -1.26 0.00 113.70 115.42 3ibj s SER 289 Ca 0.37 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3ibj s SER 289 Cb -0.19 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3ibj s SER 289 CO 0.21 -1.00 0.00 2.22 0.98 0.00 0.00 173.24 175.65 3ibj n PHE 290 N -0.32 0.00 -1.39 5.02 1.16 -0.83 -5.00 117.46 116.10 3ibj n PHE 290 Ca -0.02 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.11 3ibj n PHE 290 Cb 0.63 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.49 3ibj n PHE 290 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 3ibj n PRO 291 N -0.03 0.18 -2.50 3.97 -0.04 -1.26 -1.08 135.00 134.24 3ibj n PRO 291 Ca 0.00 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 3ibj n PRO 291 Cb 0.00 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3ibj n PRO 291 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ibj s LEU 292 N 3.02 3.56 0.00 1.53 0.20 -0.80 -4.55 118.68 121.63 3ibj s LEU 292 Ca 0.62 -1.72 0.00 0.00 0.69 0.00 0.00 54.13 53.72 3ibj s LEU 292 Cb -0.79 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.40 3ibj s LEU 292 CO 0.58 -1.58 0.00 0.35 -0.29 0.00 0.00 176.35 175.42 3ibj n THR 293 N 6.86 0.00 -0.02 3.68 -2.24 -1.26 -4.65 114.28 116.65 3ibj n THR 293 Ca 0.39 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.11 3ibj n THR 293 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3ibj n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibj n GLY 294 N 0.00 -0.18 0.16 3.38 0.00 -1.26 -3.66 105.19 103.62 3ibj n GLY 294 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.96 3ibj n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj n LEU 296 N -3.54 0.61 -0.62 0.00 4.77 -1.26 -4.03 117.00 112.92 3ibj n LEU 296 Ca -0.00 -0.15 0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3ibj n LEU 296 Cb 0.60 -0.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.81 3ibj n LEU 296 CO 0.39 0.10 0.56 0.61 -1.33 0.00 0.00 177.39 177.72 3ibj n GLY 297 N 1.39 0.28 0.07 -0.72 0.00 -0.94 -3.94 105.19 101.33 3ibj n GLY 297 Ca 0.02 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.52 3ibj n GLY 297 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ibj n GLN 298 N 0.41 0.64 0.19 1.61 1.13 0.10 -3.89 117.38 117.57 3ibj n GLN 298 Ca 0.13 -0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.04 3ibj n GLN 298 Cb 0.48 -1.68 -0.08 0.00 0.11 0.00 0.00 30.24 29.07 3ibj n GLN 298 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ibj h VAL 299 N 0.00 0.70 -0.99 5.09 2.07 -1.74 -0.27 116.25 121.11 3ibj h VAL 299 Ca -0.06 -0.06 0.22 0.00 0.82 0.00 0.00 66.70 67.62 3ibj h VAL 299 Cb 1.18 0.74 -0.12 0.00 -1.52 0.00 0.00 31.29 31.56 3ibj h VAL 299 CO 0.01 0.01 0.58 0.58 0.02 0.00 0.00 177.57 178.77 3ibj h VAL 300 N -0.45 0.59 0.15 2.57 2.07 -1.74 0.64 116.25 120.08 3ibj h VAL 300 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3ibj h VAL 300 Cb 0.34 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3ibj h VAL 300 CO 0.07 0.11 -0.07 -0.33 0.02 0.00 0.00 177.57 177.37 3ibj h GLU 301 N 0.62 -0.19 -0.20 1.57 4.39 -1.45 -3.34 114.58 115.99 3ibj h GLU 301 Ca 0.61 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.33 3ibj h GLU 301 Cb 1.09 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3ibj h GLU 301 CO -0.45 -0.13 0.00 -0.40 -1.16 0.00 0.00 179.01 176.87 3ibj n ASP 302 N -3.19 1.14 -3.65 1.42 5.68 -0.19 -4.89 116.55 112.86 3ibj n ASP 302 Ca -0.03 -1.93 -0.27 0.00 -0.50 0.00 0.00 54.79 52.07 3ibj n ASP 302 Cb 0.08 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 39.91 3ibj n ASP 302 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3ibj n LYS 303 N 0.09 -3.20 -4.36 0.11 5.02 0.22 -4.94 118.16 111.10 3ibj n LYS 303 Ca 0.09 0.40 -0.35 0.00 -2.02 0.00 0.00 58.31 56.43 3ibj n LYS 303 Cb 0.19 -5.11 -0.10 0.00 -0.02 0.00 0.00 35.03 30.00 3ibj n LYS 303 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ibj s LYS 304 N -6.31 3.19 0.14 1.97 2.47 -1.22 -4.85 119.74 115.13 3ibj s LYS 304 Ca 0.51 -0.43 -0.30 0.00 -1.56 0.00 0.00 55.97 54.19 3ibj s LYS 304 Cb -0.28 -2.84 -0.06 0.00 -1.46 0.00 0.00 37.83 33.19 3ibj s LYS 304 CO 0.63 0.57 0.98 -1.12 0.16 0.00 0.00 175.35 176.57 3ibj s SER 305 N -0.53 7.49 0.49 1.43 0.01 -1.26 -4.66 113.70 116.67 3ibj s SER 305 Ca 0.09 1.86 0.03 0.00 1.31 0.00 0.00 55.95 59.23 3ibj s SER 305 Cb -0.12 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 3ibj s SER 305 CO 0.02 -0.06 0.05 0.27 0.41 0.00 0.00 173.24 173.94 3ibj s ILE 306 N -0.18 1.42 0.10 1.44 -5.25 -0.47 -4.95 121.20 113.30 3ibj s ILE 306 Ca 0.47 -1.93 0.01 0.00 -0.99 0.00 0.00 60.65 58.20 3ibj s ILE 306 Cb -0.25 -2.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.77 3ibj s ILE 306 CO 0.31 0.00 -0.03 -1.10 -1.79 0.00 0.00 174.94 172.32 3ibj s GLN 307 N -3.89 0.84 0.27 0.37 -0.21 -1.26 -0.93 119.66 114.85 3ibj s GLN 307 Ca 0.15 -1.35 -0.02 0.00 0.02 0.00 0.00 55.36 54.16 3ibj s GLN 307 Cb 0.03 -0.08 0.58 0.00 1.00 0.00 0.00 33.01 34.54 3ibj s GLN 307 CO 0.08 -0.08 1.43 -0.11 -2.12 0.00 0.00 175.29 174.50 3ibj n LEU 308 N -0.05 -0.20 0.16 2.90 7.94 -1.21 0.19 117.00 126.74 3ibj n LEU 308 Ca -0.11 1.57 0.09 0.00 -1.11 0.00 0.00 56.01 56.44 3ibj n LEU 308 Cb 0.62 -0.53 0.46 0.00 0.53 0.00 0.00 43.42 44.49 3ibj n LEU 308 CO 0.30 -1.55 0.81 2.29 -1.11 0.00 0.00 177.39 178.14 3ibj n LYS 309 N -5.41 0.11 -3.31 1.96 0.00 -1.26 -2.40 118.16 107.85 3ibj n LYS 309 Ca 0.19 0.60 -0.44 0.00 -0.00 0.00 0.00 58.31 58.65 3ibj n LYS 309 Cb 0.60 -2.04 -0.00 0.00 -0.00 0.00 0.00 35.03 33.59 3ibj n LYS 309 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ibj n ASP 310 N -2.14 5.56 -4.10 -5.58 8.00 0.51 -5.01 116.55 113.80 3ibj n ASP 310 Ca -0.01 -3.10 -0.16 0.00 0.71 0.00 0.00 54.79 52.23 3ibj n ASP 310 Cb 0.20 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 39.84 3ibj n ASP 310 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3ibj s LEU 311 N -1.51 2.23 0.40 0.64 2.34 -1.01 -4.71 118.68 117.07 3ibj s LEU 311 Ca 0.31 -0.52 0.08 0.00 0.06 0.00 0.00 54.13 54.05 3ibj s LEU 311 Cb -0.08 -0.35 0.00 0.00 -0.56 0.00 0.00 46.19 45.21 3ibj s LEU 311 CO -0.06 -0.11 0.54 -0.89 -1.06 0.00 0.00 176.35 174.77 3ibj s THR 312 N -1.18 3.26 -0.88 5.48 2.01 -1.26 -4.99 115.64 118.09 3ibj s THR 312 Ca -0.05 -1.01 0.25 0.00 0.31 0.00 0.00 61.69 61.19 3ibj s THR 312 Cb -0.09 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.36 3ibj s THR 312 CO 0.01 -0.04 1.44 -0.24 -0.69 0.00 0.00 174.62 175.10 3ibj n SER 313 N -1.79 0.51 0.09 3.53 2.88 -1.26 -3.29 113.62 114.29 3ibj n SER 313 Ca 0.06 -0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 3ibj n SER 313 Cb 0.59 0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 64.17 3ibj n SER 313 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3ibj h GLU 314 N 0.00 -0.26 -0.30 -1.46 4.57 -1.97 0.94 114.58 116.10 3ibj h GLU 314 Ca 0.00 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 3ibj h GLU 314 Cb 0.58 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 3ibj h GLU 314 CO 0.00 -0.17 0.41 -0.44 -1.18 0.00 0.00 179.01 177.63 3ibj h ASP 315 N -0.68 0.00 1.01 1.04 3.32 -1.96 1.96 116.42 121.11 3ibj h ASP 315 Ca -0.03 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 3ibj h ASP 315 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3ibj h ASP 315 CO 0.04 0.00 -1.06 1.62 -1.72 0.00 0.00 179.24 178.13 3ibj h VAL 316 N 0.00 0.85 0.00 -1.35 3.04 -1.55 -2.19 116.25 115.05 3ibj h VAL 316 Ca 0.14 -2.36 -0.01 0.00 -1.01 0.00 0.00 66.70 63.46 3ibj h VAL 316 Cb 0.96 2.33 -0.00 0.00 -2.01 0.00 0.00 31.29 32.57 3ibj h VAL 316 CO -0.00 0.48 -0.21 -0.61 -1.01 0.00 0.00 177.57 176.23 3ibj h GLN 317 N 0.00 0.00 0.00 4.17 5.75 0.50 -2.77 115.11 122.76 3ibj h GLN 317 Ca -0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3ibj h GLN 317 Cb 1.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.13 3ibj h GLN 317 CO 0.07 0.17 0.00 0.94 -2.65 0.00 0.00 178.83 177.36 3ibj n GLN 318 N -4.70 0.11 -0.04 1.69 -0.06 0.48 -1.09 117.38 113.77 3ibj n GLN 318 Ca -0.05 0.58 -0.02 0.00 -2.00 0.00 0.00 57.00 55.51 3ibj n GLN 318 Cb 0.16 -1.84 -0.01 0.00 -4.06 0.00 0.00 30.24 24.50 3ibj n GLN 318 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3ibj h LEU 319 N 0.00 0.00 0.00 1.69 3.38 -1.49 -3.08 115.31 115.82 3ibj h LEU 319 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ibj h LEU 319 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ibj h LEU 319 CO 0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3ibj n GLN 320 N -3.52 0.01 -0.07 1.13 6.02 -1.05 0.38 117.38 120.29 3ibj n GLN 320 Ca -0.03 0.35 -0.05 0.00 -0.01 0.00 0.00 57.00 57.26 3ibj n GLN 320 Cb 0.13 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 3ibj n GLN 320 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3ibj n SER 321 N -1.36 1.73 -0.29 1.08 3.41 -0.25 -1.48 113.62 116.46 3ibj n SER 321 Ca 0.00 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 3ibj n SER 321 Cb 0.01 -0.84 0.16 0.00 -0.26 0.00 0.00 64.21 63.28 3ibj n SER 321 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3ibj h MET 322 N -0.95 0.76 0.00 4.33 1.85 -1.12 -3.25 114.93 116.56 3ibj h MET 322 Ca 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3ibj h MET 322 Cb 0.53 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.39 3ibj h MET 322 CO 0.00 0.51 0.00 1.28 -0.40 0.00 0.00 176.91 178.30 3ibj n LEU 323 N -4.74 0.00 0.00 3.39 4.77 1.23 -5.02 117.00 116.62 3ibj n LEU 323 Ca 0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3ibj n LEU 323 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3ibj n LEU 323 CO 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3ibj n GLY 324 N -0.28 0.46 0.00 -0.72 0.00 -0.55 -5.02 105.19 99.09 3ibj n GLY 324 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ibj n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj s GLU 326 N -1.30 4.14 -0.38 0.00 0.41 -1.26 -4.76 118.70 115.54 3ibj s GLU 326 Ca 0.00 2.59 -0.06 0.00 -0.41 0.00 0.00 54.97 57.09 3ibj s GLU 326 Cb 0.00 -3.48 0.07 0.00 -1.78 0.00 0.00 34.13 28.95 3ibj s GLU 326 CO 0.00 -0.82 0.17 -0.51 -0.49 0.00 0.00 175.26 173.62 3ibj s LEU 327 N 2.38 4.80 -0.21 1.80 1.02 -1.26 -4.83 118.68 122.38 3ibj s LEU 327 Ca 0.79 -1.50 0.03 0.00 0.02 0.00 0.00 54.13 53.48 3ibj s LEU 327 Cb -0.47 -1.89 -0.15 0.00 0.02 0.00 0.00 46.19 43.71 3ibj s LEU 327 CO 0.35 -0.45 -0.16 0.00 0.02 0.00 0.00 176.35 176.12 3ibj n GLN 328 N 4.78 0.64 -4.53 1.70 0.00 -1.26 -5.03 117.38 113.67 3ibj n GLN 328 Ca -0.09 0.11 -0.25 0.00 0.00 0.00 0.00 57.00 56.77 3ibj n GLN 328 Cb 0.43 -1.43 -0.11 0.00 0.00 0.00 0.00 30.24 29.13 3ibj n GLN 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ibj s ALA 329 N -2.43 2.77 -0.30 2.61 0.00 -1.26 -4.97 121.76 118.18 3ibj s ALA 329 Ca -0.26 -2.11 -0.17 0.00 0.00 0.00 0.00 51.96 49.42 3ibj s ALA 329 Cb 0.07 0.44 0.21 0.00 0.00 0.00 0.00 23.12 23.84 3ibj s ALA 329 CO 0.53 -0.22 1.29 1.41 0.00 0.00 0.00 175.76 178.76 3ibj s MET 330 N -3.81 0.03 -0.29 0.00 1.75 -1.25 -3.32 119.30 112.41 3ibj s MET 330 Ca 0.35 0.05 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 3ibj s MET 330 Cb 0.09 0.02 0.07 0.00 2.84 0.00 0.00 34.83 37.85 3ibj s MET 330 CO 0.16 -0.01 -0.05 -1.17 -0.65 0.00 0.00 175.02 173.30 3ibj s LEU 331 N 1.39 3.82 -0.38 4.11 0.20 0.19 -3.28 118.68 124.73 3ibj s LEU 331 Ca -0.05 -1.64 -0.15 0.00 0.69 0.00 0.00 54.13 52.99 3ibj s LEU 331 Cb -0.02 -1.55 0.01 0.00 -0.43 0.00 0.00 46.19 44.20 3ibj s LEU 331 CO -0.12 -0.26 0.31 0.00 -0.29 0.00 0.00 176.35 176.00 3ibj s VAL 333 N 1.80 2.32 0.31 0.00 1.01 -0.33 -1.37 120.40 124.14 3ibj s VAL 333 Ca 0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3ibj s VAL 333 Cb -0.18 -2.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 3ibj s VAL 333 CO 0.11 0.30 1.38 -2.84 0.00 0.00 0.00 175.10 174.05 3ibj s PRO 334 N 1.25 4.28 -0.51 2.72 0.02 -1.26 -1.47 135.00 140.04 3ibj s PRO 334 Ca 0.00 2.30 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 3ibj s PRO 334 Cb -0.16 -3.07 0.07 0.00 0.02 0.00 0.00 34.50 31.37 3ibj s PRO 334 CO -0.08 -0.32 0.55 0.08 -0.33 0.00 0.00 177.00 176.89 3ibj s VAL 335 N -0.74 5.01 -0.24 3.83 1.01 0.40 -4.88 120.40 124.80 3ibj s VAL 335 Ca 0.53 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3ibj s VAL 335 Cb -0.42 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 3ibj s VAL 335 CO 0.51 -0.78 0.18 -0.63 0.00 0.00 0.00 175.10 174.38 3ibj s ILE 336 N 2.24 5.35 0.32 2.22 1.01 -1.26 0.17 121.20 131.24 3ibj s ILE 336 Ca 0.10 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.71 3ibj s ILE 336 Cb -0.22 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 3ibj s ILE 336 CO 0.09 0.34 1.02 -0.94 0.00 0.00 0.00 174.94 175.45 3ibj s SER 337 N 1.04 7.17 0.02 3.58 1.04 -1.10 -4.84 113.70 120.62 3ibj s SER 337 Ca 0.09 2.04 0.26 0.00 0.48 0.00 0.00 55.95 58.82 3ibj s SER 337 Cb -0.14 -2.60 0.77 0.00 0.10 0.00 0.00 66.02 64.15 3ibj s SER 337 CO 0.05 -0.20 1.60 0.54 0.98 0.00 0.00 173.24 176.21 3ibj n ARG 338 N 0.66 0.03 0.00 4.02 5.12 -1.26 -1.74 116.66 123.50 3ibj n ARG 338 Ca 0.02 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3ibj n ARG 338 Cb 0.48 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 3ibj n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ibj n ALA 339 N -1.54 0.00 -0.32 7.54 0.00 -1.26 -4.54 120.51 120.40 3ibj n ALA 339 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3ibj n ALA 339 Cb 0.35 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.05 3ibj n ALA 339 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ibj h THR 340 N 0.00 0.77 -3.84 0.00 1.35 -2.00 -3.46 112.91 105.72 3ibj h THR 340 Ca 0.00 -0.25 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 3ibj h THR 340 Cb 0.00 -0.03 0.05 0.00 -1.73 0.00 0.00 68.15 66.44 3ibj h THR 340 CO 0.00 0.13 -0.20 -0.67 -0.25 0.00 0.00 175.52 174.53 3ibj n ASP 341 N -4.80 -3.75 -3.55 5.36 4.64 -0.71 -5.00 116.55 108.74 3ibj n ASP 341 Ca 0.19 -0.17 -0.16 0.00 -1.38 0.00 0.00 54.79 53.27 3ibj n ASP 341 Cb 0.45 -2.26 -0.06 0.00 -1.04 0.00 0.00 41.12 38.21 3ibj n ASP 341 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3ibj s GLN 342 N -3.33 0.91 0.00 -0.67 -0.21 -1.24 -4.84 119.66 110.29 3ibj s GLN 342 Ca 0.11 0.31 -0.33 0.00 0.02 0.00 0.00 55.36 55.47 3ibj s GLN 342 Cb -0.01 0.43 -0.11 0.00 1.00 0.00 0.00 33.01 34.32 3ibj s GLN 342 CO 0.26 -0.27 1.86 0.28 -2.12 0.00 0.00 175.29 175.31 3ibj n VAL 343 N 1.08 0.53 -0.03 1.09 0.31 -1.25 -2.72 118.33 117.33 3ibj n VAL 343 Ca -0.16 -0.09 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 3ibj n VAL 343 Cb 0.57 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 3ibj n VAL 343 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3ibj n VAL 344 N 4.98 0.39 -3.88 2.52 0.31 0.13 -4.88 118.33 117.90 3ibj n VAL 344 Ca 0.21 -0.30 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3ibj n VAL 344 Cb 0.33 -0.49 -0.09 0.00 -0.91 0.00 0.00 33.84 32.68 3ibj n VAL 344 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj s ALA 345 N -2.30 -0.26 -0.40 3.52 0.00 -1.20 -1.35 121.76 119.77 3ibj s ALA 345 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3ibj s ALA 345 Cb 0.03 0.25 0.11 0.00 0.00 0.00 0.00 23.12 23.51 3ibj s ALA 345 CO 0.33 -0.33 0.17 -0.51 0.00 0.00 0.00 175.76 175.43 3ibj s LEU 346 N -2.00 5.14 -0.22 0.00 1.43 -0.62 0.15 118.68 122.57 3ibj s LEU 346 Ca -0.06 -2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 50.66 3ibj s LEU 346 Cb -0.02 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3ibj s LEU 346 CO -0.03 -0.50 1.07 0.00 0.23 0.00 0.00 176.35 177.12 3ibj s ALA 347 N 1.05 3.68 -0.06 4.21 0.00 -0.54 -1.02 121.76 129.08 3ibj s ALA 347 Ca 0.09 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3ibj s ALA 347 Cb -0.22 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3ibj s ALA 347 CO -0.05 -1.06 -0.17 0.00 0.00 0.00 0.00 175.76 174.48 3ibj s ALA 349 N -0.42 2.02 0.28 0.00 0.00 -0.58 -1.47 121.76 121.59 3ibj s ALA 349 Ca 0.05 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3ibj s ALA 349 Cb -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 3ibj s ALA 349 CO 0.02 0.33 -0.09 -0.06 0.00 0.00 0.00 175.76 175.96 3ibj s PHE 350 N 0.12 2.00 -0.34 0.00 0.08 -0.49 0.56 117.98 119.91 3ibj s PHE 350 Ca -0.10 -0.63 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 3ibj s PHE 350 Cb -0.15 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 3ibj s PHE 350 CO 0.06 0.37 0.35 0.09 -0.10 0.00 0.00 175.22 175.98 3ibj n ASN 351 N -0.59 -2.82 -4.68 1.36 3.02 -1.21 -2.09 115.26 108.26 3ibj n ASN 351 Ca -0.06 -0.29 -0.56 0.00 -0.03 0.00 0.00 54.58 53.65 3ibj n ASN 351 Cb 0.63 -0.87 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 3ibj n ASN 351 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ibj n LYS 352 N -0.78 1.19 -1.55 3.52 4.81 -1.26 -1.99 118.16 122.08 3ibj n LYS 352 Ca -0.11 0.43 -0.43 0.00 -0.87 0.00 0.00 58.31 57.34 3ibj n LYS 352 Cb 0.38 -2.11 -0.04 0.00 0.02 0.00 0.00 35.03 33.28 3ibj n LYS 352 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3ibj n LEU 353 N 4.58 2.74 0.00 3.14 0.00 0.96 -4.26 117.00 124.15 3ibj n LEU 353 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 56.01 56.32 3ibj n LEU 353 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 42.08 3ibj n LEU 353 CO 0.75 -0.91 0.00 -0.62 0.00 0.00 0.00 177.39 176.62 3ibj n GLU 354 N 8.71 0.00 -0.90 1.96 4.71 -1.26 -4.71 120.64 129.15 3ibj n GLU 354 Ca 0.35 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.33 3ibj n GLU 354 Cb 0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.79 3ibj n GLU 354 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ibj n GLY 355 N 0.00 0.12 2.74 0.62 0.00 -1.26 -4.69 105.19 102.71 3ibj n GLY 355 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3ibj n GLY 355 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibj n ASP 356 N 7.26 -1.50 -3.40 1.61 2.03 -1.26 -4.73 116.55 116.56 3ibj n ASP 356 Ca 0.20 -0.99 -0.25 0.00 0.52 0.00 0.00 54.79 54.27 3ibj n ASP 356 Cb 0.36 -0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 3ibj n ASP 356 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ibj s LEU 357 N 0.00 0.70 -0.32 -2.67 1.43 -1.26 -5.00 118.68 111.56 3ibj s LEU 357 Ca 0.00 -2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 50.64 3ibj s LEU 357 Cb 0.00 -0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.15 3ibj s LEU 357 CO 0.00 -0.26 1.11 -0.36 0.23 0.00 0.00 176.35 177.06 3ibj s PHE 358 N 0.98 3.08 0.71 0.29 2.99 -1.26 -5.01 117.98 119.75 3ibj s PHE 358 Ca 0.21 1.14 -0.07 0.00 0.00 0.00 0.00 56.93 58.21 3ibj s PHE 358 Cb -0.16 -3.73 0.06 0.00 0.00 0.00 0.00 43.02 39.19 3ibj s PHE 358 CO -0.04 -0.92 1.03 0.95 -0.00 0.00 0.00 175.22 176.24 3ibj s THR 359 N 3.76 2.38 -1.97 0.64 -4.23 -1.26 -4.94 115.64 110.01 3ibj s THR 359 Ca 0.47 -0.20 0.26 0.00 -1.18 0.00 0.00 61.69 61.03 3ibj s THR 359 Cb -0.13 -3.05 0.71 0.00 1.34 0.00 0.00 72.50 71.38 3ibj s THR 359 CO 0.17 -0.05 1.88 -0.67 -0.54 0.00 0.00 174.62 175.40 3ibj n ASP 360 N -2.94 0.00 -0.01 3.99 2.03 -1.26 -1.90 116.55 116.46 3ibj n ASP 360 Ca 0.08 -0.76 0.03 0.00 0.52 0.00 0.00 54.79 54.66 3ibj n ASP 360 Cb 0.60 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 3ibj n ASP 360 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3ibj n GLU 361 N -1.01 0.62 0.18 -0.67 -0.00 -1.26 -3.69 120.64 114.80 3ibj n GLU 361 Ca 0.19 -0.07 0.03 0.00 -0.00 0.00 0.00 57.16 57.31 3ibj n GLU 361 Cb 0.09 -1.20 0.36 0.00 -0.00 0.00 0.00 31.44 30.69 3ibj n GLU 361 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3ibj h ASP 362 N 0.00 0.00 0.06 -1.84 3.32 -1.74 -1.64 116.42 114.57 3ibj h ASP 362 Ca -0.03 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 3ibj h ASP 362 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.11 3ibj h ASP 362 CO 0.00 0.39 -0.85 -0.08 -1.72 0.00 0.00 179.24 176.98 3ibj h GLU 363 N 0.00 0.62 -0.30 3.56 4.81 -1.64 -3.26 114.58 118.38 3ibj h GLU 363 Ca -0.00 -0.57 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3ibj h GLU 363 Cb 0.71 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3ibj h GLU 363 CO 0.05 1.18 0.18 1.25 -0.73 0.00 0.00 179.01 180.95 3ibj h HIS 364 N 0.40 0.39 -0.91 0.92 2.76 -1.43 -2.62 115.15 114.66 3ibj h HIS 364 Ca -0.07 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3ibj h HIS 364 Cb 1.48 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 30.25 3ibj h HIS 364 CO 0.08 0.28 0.59 -0.24 -1.30 0.00 0.00 177.93 177.33 3ibj h VAL 365 N 0.38 1.15 0.38 5.26 3.04 -1.40 -0.90 116.25 124.16 3ibj h VAL 365 Ca 0.11 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 3ibj h VAL 365 Cb -0.00 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.17 3ibj h VAL 365 CO -0.02 0.21 -0.35 0.40 -1.01 0.00 0.00 177.57 176.80 3ibj h ILE 366 N 1.15 0.00 -0.09 3.17 2.04 -1.57 -1.31 117.51 120.90 3ibj h ILE 366 Ca 0.36 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 3ibj h ILE 366 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 3ibj h ILE 366 CO -0.12 0.00 -0.06 1.56 0.00 0.00 0.00 178.15 179.53 3ibj h GLN 367 N -0.71 -0.02 -0.80 2.37 7.50 -1.28 -1.36 115.11 120.82 3ibj h GLN 367 Ca -0.05 0.00 0.21 0.00 0.50 0.00 0.00 58.65 59.32 3ibj h GLN 367 Cb 0.61 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 27.99 3ibj h GLN 367 CO -0.02 -0.01 -0.00 1.58 -1.50 0.00 0.00 178.83 178.87 3ibj n HIS 368 N -3.15 0.49 0.10 2.96 -0.00 -0.36 -1.10 115.22 114.16 3ibj n HIS 368 Ca -0.00 0.96 -0.12 0.00 0.46 0.00 0.00 57.72 59.02 3ibj n HIS 368 Cb 0.03 -1.09 -0.06 0.00 -0.12 0.00 0.00 29.99 28.76 3ibj n HIS 368 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ibj h PHE 370 N -0.33 0.66 -1.18 0.00 0.04 -0.76 0.18 116.94 115.54 3ibj h PHE 370 Ca 0.02 -0.19 0.34 0.00 2.80 0.00 0.00 57.97 60.95 3ibj h PHE 370 Cb 0.35 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 3ibj h PHE 370 CO -0.17 0.88 0.98 1.25 -0.60 0.00 0.00 178.31 180.65 3ibj h HIS 371 N 0.46 0.00 0.00 -0.55 -0.00 -0.97 0.67 115.15 114.75 3ibj h HIS 371 Ca 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.16 3ibj h HIS 371 Cb 0.91 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.28 3ibj h HIS 371 CO 0.04 0.00 -1.89 0.66 -0.00 0.00 0.00 177.93 176.74 3ibj n TYR 372 N -3.84 0.00 0.10 5.26 4.01 -1.11 -4.74 117.16 116.85 3ibj n TYR 372 Ca 0.26 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.97 3ibj n TYR 372 Cb 1.36 -0.59 0.01 0.00 -0.31 0.00 0.00 39.34 39.82 3ibj n TYR 372 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ibj h THR 373 N -0.23 1.48 -0.69 -0.72 1.03 0.57 -3.38 112.91 110.97 3ibj h THR 373 Ca -0.37 -2.77 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 3ibj h THR 373 Cb 1.47 2.53 -0.03 0.00 -1.07 0.00 0.00 68.15 71.04 3ibj h THR 373 CO -0.13 0.77 0.43 -1.28 -0.01 0.00 0.00 175.52 175.30 3ibj h SER 374 N 0.00 0.82 -0.00 0.00 0.87 0.10 -2.42 113.55 112.92 3ibj h SER 374 Ca -0.01 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3ibj h SER 374 Cb 1.47 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 3ibj h SER 374 CO 0.10 0.62 -0.31 0.74 -0.53 0.00 0.00 176.83 177.45 3ibj h THR 375 N 0.94 0.00 -0.44 2.23 2.02 -1.76 -0.42 112.91 115.48 3ibj h THR 375 Ca 0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.48 3ibj h THR 375 Cb -0.06 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.30 3ibj h THR 375 CO -0.05 0.00 0.19 1.62 0.37 0.00 0.00 175.52 177.65 3ibj h VAL 376 N -0.39 0.91 0.03 3.16 3.04 -1.83 -1.62 116.25 119.55 3ibj h VAL 376 Ca 0.01 -0.13 0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3ibj h VAL 376 Cb 0.42 0.50 -0.04 0.00 -2.01 0.00 0.00 31.29 30.15 3ibj h VAL 376 CO -0.21 0.07 -0.44 -0.07 -1.01 0.00 0.00 177.57 175.91 3ibj h LEU 377 N 0.38 -1.34 -0.94 3.16 3.38 -1.12 -1.76 115.31 117.07 3ibj h LEU 377 Ca 0.20 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.50 3ibj h LEU 377 Cb 0.16 0.51 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 3ibj h LEU 377 CO -0.18 -0.44 0.52 0.74 0.09 0.00 0.00 178.44 179.18 3ibj h THR 378 N -0.57 0.68 -0.29 0.22 2.02 -0.94 -2.00 112.91 112.04 3ibj h THR 378 Ca 0.01 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.79 3ibj h THR 378 Cb 0.60 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3ibj h THR 378 CO -0.28 0.12 -0.48 0.77 0.37 0.00 0.00 175.52 176.02 3ibj h SER 379 N 0.67 0.87 0.39 4.18 4.64 -0.71 -0.14 113.55 123.44 3ibj h SER 379 Ca 0.54 -0.43 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3ibj h SER 379 Cb 0.84 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3ibj h SER 379 CO -0.40 1.20 -0.40 0.74 -0.87 0.00 0.00 176.83 177.11 3ibj h THR 380 N 0.63 1.29 -0.01 2.95 2.02 -0.87 0.12 112.91 119.04 3ibj h THR 380 Ca 0.03 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3ibj h THR 380 Cb 1.06 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3ibj h THR 380 CO 0.11 0.39 -0.04 0.25 0.37 0.00 0.00 175.52 176.60 3ibj h LEU 381 N 0.01 0.04 -0.52 2.58 5.85 -1.22 -3.17 115.31 118.88 3ibj h LEU 381 Ca -0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 3ibj h LEU 381 Cb 0.71 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3ibj h LEU 381 CO 0.05 0.69 0.31 0.00 -0.34 0.00 0.00 178.44 179.16 3ibj h ALA 382 N 0.35 0.67 0.00 1.25 0.00 -0.59 -1.37 119.26 119.57 3ibj h ALA 382 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ibj h ALA 382 Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ibj h ALA 382 CO 0.01 0.16 -0.03 0.35 0.00 0.00 0.00 179.25 179.73 3ibj h PHE 383 N 0.70 0.00 0.00 0.00 3.57 -0.89 0.15 116.94 120.48 3ibj h PHE 383 Ca 0.19 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3ibj h PHE 383 Cb -0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ibj h PHE 383 CO -0.02 0.03 -0.45 1.96 -2.23 0.00 0.00 178.31 177.60 3ibj h GLN 384 N 0.00 0.00 -0.09 1.11 4.20 -1.23 -1.53 115.11 117.56 3ibj h GLN 384 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 3ibj h GLN 384 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ibj h GLN 384 CO 0.00 0.45 -0.76 0.87 -0.67 0.00 0.00 178.83 178.73 3ibj h LYS 385 N 0.00 0.52 0.00 1.46 1.57 -0.50 -2.89 116.57 116.73 3ibj h LYS 385 Ca -0.00 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 3ibj h LYS 385 Cb 1.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3ibj h LYS 385 CO 0.06 1.06 -0.31 0.93 -0.57 0.00 0.00 179.45 180.62 3ibj h GLU 386 N 0.35 0.00 0.00 3.15 4.39 -1.28 -0.57 114.58 120.62 3ibj h GLU 386 Ca -0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3ibj h GLU 386 Cb 1.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 3ibj h GLU 386 CO 0.14 0.31 -0.52 0.37 -1.16 0.00 0.00 179.01 178.15 3ibj h GLN 387 N 0.00 0.00 0.00 2.33 4.15 -1.23 0.32 115.11 120.68 3ibj h GLN 387 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 3ibj h GLN 387 Cb 1.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3ibj h GLN 387 CO 0.04 0.52 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.03 3ibj h LYS 388 N 0.00 0.00 -0.66 1.69 3.64 -1.29 -3.06 116.57 116.89 3ibj h LYS 388 Ca -0.01 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 3ibj h LYS 388 Cb 0.94 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.65 3ibj h LYS 388 CO 0.07 0.66 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.83 3ibj h LEU 389 N -1.00 -0.31 -1.76 5.20 3.38 -1.12 0.35 115.31 120.06 3ibj h LEU 389 Ca -0.05 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ibj h LEU 389 Cb 0.74 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ibj h LEU 389 CO -0.03 -0.14 -0.13 0.50 0.09 0.00 0.00 178.44 178.74 3ibj h LYS 390 N 0.11 0.00 0.01 1.13 3.64 -1.05 -2.78 116.57 117.63 3ibj h LYS 390 Ca 0.35 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.52 3ibj h LYS 390 Cb 0.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3ibj h LYS 390 CO -0.57 0.13 -0.96 0.00 -2.27 0.00 0.00 179.45 175.77 3ibj n GLU 392 N -3.44 1.83 -0.02 0.00 1.02 -0.20 -2.23 120.64 117.60 3ibj n GLU 392 Ca -0.01 -0.69 -0.04 0.00 -0.02 0.00 0.00 57.16 56.40 3ibj n GLU 392 Cb 0.90 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 3ibj n GLU 392 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibj h GLN 394 N -0.16 0.22 0.19 0.00 4.20 -1.58 3.33 115.11 121.31 3ibj h GLN 394 Ca -0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3ibj h GLN 394 Cb 1.01 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 3ibj h GLN 394 CO -0.06 0.14 -0.12 0.00 -0.67 0.00 0.00 178.83 178.12 3ibj h ALA 395 N 1.64 -0.99 -0.84 3.87 0.00 -1.66 0.24 119.26 121.53 3ibj h ALA 395 Ca 0.37 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.32 3ibj h ALA 395 Cb 1.13 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3ibj h ALA 395 CO -0.08 -0.98 0.54 -0.07 0.00 0.00 0.00 179.25 178.67 3ibj h LEU 396 N -0.29 0.72 -0.13 0.00 3.38 -0.56 -0.91 115.31 117.51 3ibj h LEU 396 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ibj h LEU 396 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ibj h LEU 396 CO 0.03 0.43 -0.00 -0.07 0.09 0.00 0.00 178.44 178.91 3ibj h LEU 397 N 0.79 -0.06 0.03 1.67 4.07 0.63 0.78 115.31 123.23 3ibj h LEU 397 Ca 0.39 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.39 3ibj h LEU 397 Cb 0.43 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3ibj h LEU 397 CO -0.16 -0.01 -0.40 -0.61 -1.08 0.00 0.00 178.44 176.18 3ibj h GLN 398 N 0.04 -0.51 -0.57 1.13 5.75 0.73 -1.59 115.11 120.10 3ibj h GLN 398 Ca 0.06 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3ibj h GLN 398 Cb 0.08 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3ibj h GLN 398 CO -0.11 -0.34 0.38 -0.24 -2.65 0.00 0.00 178.83 175.87 3ibj h VAL 399 N -0.53 1.05 -0.12 2.39 3.04 -0.90 -1.35 116.25 119.82 3ibj h VAL 399 Ca 0.00 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 65.48 3ibj h VAL 399 Cb 0.55 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 3ibj h VAL 399 CO -0.25 0.11 0.06 0.00 -1.01 0.00 0.00 177.57 176.49 3ibj h ALA 400 N 1.67 0.15 0.00 3.17 0.00 0.11 0.42 119.26 124.77 3ibj h ALA 400 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ibj h ALA 400 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ibj h ALA 400 CO -0.06 -0.38 0.00 0.36 0.00 0.00 0.00 179.25 179.16 3ibj n LYS 401 N -5.03 0.45 -0.07 0.00 2.85 -0.56 -1.99 118.16 113.81 3ibj n LYS 401 Ca -0.05 0.01 -0.08 0.00 -1.05 0.00 0.00 58.31 57.14 3ibj n LYS 401 Cb 0.04 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.83 3ibj n LYS 401 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ibj n ASN 402 N -1.01 2.18 0.09 -5.58 3.02 0.03 -4.07 115.26 109.91 3ibj n ASN 402 Ca 0.11 -0.03 -0.06 0.00 -0.03 0.00 0.00 54.58 54.57 3ibj n ASN 402 Cb 0.05 0.45 0.06 0.00 -0.61 0.00 0.00 39.78 39.74 3ibj n ASN 402 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3ibj h LEU 403 N 0.00 0.20 -0.05 3.41 3.38 -1.13 -3.19 115.31 117.93 3ibj h LEU 403 Ca -0.35 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ibj h LEU 403 Cb 1.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3ibj h LEU 403 CO -0.01 0.87 0.00 0.49 0.09 0.00 0.00 178.44 179.88 3ibj n PHE 404 N -3.75 0.19 0.63 1.13 3.72 -0.84 -2.71 117.46 115.84 3ibj n PHE 404 Ca -0.03 0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 3ibj n PHE 404 Cb 0.71 -0.60 0.19 0.00 -0.94 0.00 0.00 39.48 38.83 3ibj n PHE 404 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ibj n THR 405 N -1.66 0.62 -2.54 4.37 -2.24 -1.20 -3.94 114.28 107.68 3ibj n THR 405 Ca 0.05 -0.57 0.02 0.00 -2.27 0.00 0.00 64.05 61.29 3ibj n THR 405 Cb 0.30 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3ibj n THR 405 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ibj n HIS 406 N 0.68 0.51 0.33 4.78 8.25 -1.10 -4.80 115.22 123.87 3ibj n HIS 406 Ca 0.14 -1.16 0.15 0.00 -0.26 0.00 0.00 57.72 56.59 3ibj n HIS 406 Cb 0.38 -0.19 0.63 0.00 1.12 0.00 0.00 29.99 31.93 3ibj n HIS 406 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ibj h LEU 407 N 1.57 0.00 -0.65 2.41 4.07 -1.69 -2.93 115.31 118.09 3ibj h LEU 407 Ca -0.17 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.89 3ibj h LEU 407 Cb 1.63 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.29 3ibj h LEU 407 CO 0.14 0.00 0.29 0.44 -1.08 0.00 0.00 178.44 178.23 3ibj h ASP 408 N 0.00 0.34 -3.26 -0.43 3.32 -1.91 -3.41 116.42 111.06 3ibj h ASP 408 Ca 0.00 0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.52 3ibj h ASP 408 Cb 0.38 0.02 -0.40 0.00 0.22 0.00 0.00 39.33 39.55 3ibj h ASP 408 CO 0.00 0.19 -0.75 -0.62 -1.72 0.00 0.00 179.24 176.34 3ibj s ASP 409 N -5.44 4.08 0.45 6.45 -1.08 -1.11 -4.95 116.67 115.08 3ibj s ASP 409 Ca -0.13 -1.83 0.26 0.00 -0.52 0.00 0.00 52.55 50.34 3ibj s ASP 409 Cb 0.17 -0.98 1.42 0.00 -1.46 0.00 0.00 42.92 42.07 3ibj s ASP 409 CO 0.75 -0.39 1.77 1.62 0.52 0.00 0.00 175.17 179.44 3ibj h VAL 410 N 6.35 0.00 0.17 1.11 3.04 -1.79 0.59 116.25 125.73 3ibj h VAL 410 Ca -0.11 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.24 3ibj h VAL 410 Cb 1.00 0.58 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 3ibj h VAL 410 CO 0.48 0.00 -1.72 0.28 -1.01 0.00 0.00 177.57 175.59 3ibj h SER 411 N 0.00 0.58 0.01 3.17 0.02 -1.92 -1.03 113.55 114.37 3ibj h SER 411 Ca 0.00 -0.86 -0.22 0.00 -0.84 0.00 0.00 61.79 59.87 3ibj h SER 411 Cb 0.25 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.62 3ibj h SER 411 CO 0.00 1.73 -0.86 0.58 -1.14 0.00 0.00 176.83 177.14 3ibj h VAL 412 N 0.10 1.35 0.21 2.27 2.07 -1.27 -2.71 116.25 118.27 3ibj h VAL 412 Ca -0.33 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 3ibj h VAL 412 Cb 2.09 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 3ibj h VAL 412 CO 0.17 0.66 -0.10 0.25 0.02 0.00 0.00 177.57 178.57 3ibj h LEU 413 N 0.16 -0.24 -1.91 2.57 5.85 -0.04 -0.42 115.31 121.28 3ibj h LEU 413 Ca -0.11 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.85 3ibj h LEU 413 Cb 1.54 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 3ibj h LEU 413 CO 0.17 -0.16 0.59 0.25 -0.34 0.00 0.00 178.44 178.95 3ibj h LEU 414 N -0.29 0.07 -0.10 2.25 5.85 -1.19 0.15 115.31 122.06 3ibj h LEU 414 Ca -0.03 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3ibj h LEU 414 Cb 0.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ibj h LEU 414 CO 0.05 0.03 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.27 3ibj h GLN 415 N 0.07 0.37 -0.24 1.25 4.15 -0.89 -3.06 115.11 116.76 3ibj h GLN 415 Ca 0.41 -0.27 0.05 0.00 0.77 0.00 0.00 58.65 59.61 3ibj h GLN 415 Cb 1.50 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.19 3ibj h GLN 415 CO -0.04 0.89 -0.10 0.93 -1.93 0.00 0.00 178.83 178.59 3ibj h GLU 416 N -0.08 -0.06 -0.96 1.69 4.39 0.81 -0.23 114.58 120.14 3ibj h GLU 416 Ca -0.01 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.89 3ibj h GLU 416 Cb 0.92 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.47 3ibj h GLU 416 CO 0.06 -0.04 0.54 0.82 -1.16 0.00 0.00 179.01 179.23 3ibj h ILE 417 N -0.06 0.64 0.33 3.13 2.04 -1.21 0.13 117.51 122.51 3ibj h ILE 417 Ca 0.13 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3ibj h ILE 417 Cb 0.25 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3ibj h ILE 417 CO -0.29 0.12 -0.16 0.40 0.00 0.00 0.00 178.15 178.22 3ibj h ILE 418 N 0.64 0.56 0.00 -0.67 2.04 -1.13 0.60 117.51 119.56 3ibj h ILE 418 Ca 0.57 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3ibj h ILE 418 Cb 0.95 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3ibj h ILE 418 CO -0.42 0.11 0.00 0.41 0.00 0.00 0.00 178.15 178.25 3ibj n THR 419 N -5.12 0.00 -0.33 -0.27 -1.04 -0.22 -1.25 114.28 106.05 3ibj n THR 419 Ca -0.09 1.39 0.07 0.00 -2.04 0.00 0.00 64.05 63.39 3ibj n THR 419 Cb 0.27 -2.16 0.17 0.00 -1.82 0.00 0.00 70.33 66.79 3ibj n THR 419 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3ibj h GLU 420 N 0.00 0.01 0.00 -2.82 4.39 -0.87 0.45 114.58 115.74 3ibj h GLU 420 Ca 0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ibj h GLU 420 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ibj h GLU 420 CO 0.00 0.01 -0.07 0.00 -1.16 0.00 0.00 179.01 177.79 3ibj h ALA 421 N 1.94 1.47 0.17 3.43 0.00 -0.53 -0.91 119.26 124.83 3ibj h ALA 421 Ca 0.49 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 55.03 3ibj h ALA 421 Cb 0.83 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.63 3ibj h ALA 421 CO -0.94 0.09 -1.39 -0.09 0.00 0.00 0.00 179.25 176.91 3ibj h ARG 422 N 0.00 0.37 0.09 0.00 2.43 0.13 -3.10 114.38 114.30 3ibj h ARG 422 Ca -0.00 -0.63 -0.26 0.00 -0.81 0.00 0.00 59.98 58.28 3ibj h ARG 422 Cb 0.17 0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3ibj h ARG 422 CO 0.01 1.29 -1.15 -0.91 -1.51 0.00 0.00 179.97 177.70 3ibj h ASN 423 N 0.10 0.54 0.29 -3.80 2.35 -1.08 0.82 115.58 114.80 3ibj h ASN 423 Ca -0.20 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.02 3ibj h ASN 423 Cb 2.06 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.26 3ibj h ASN 423 CO 0.22 1.36 -0.14 -0.07 -1.65 0.00 0.00 177.43 177.15 3ibj h LEU 424 N 0.16 -0.32 0.00 1.61 4.07 -1.30 -3.11 115.31 116.41 3ibj h LEU 424 Ca -0.13 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.69 3ibj h LEU 424 Cb 1.83 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 43.64 3ibj h LEU 424 CO 0.20 -0.17 -0.88 0.77 -1.08 0.00 0.00 178.44 177.27 3ibj h SER 425 N -0.45 0.00 -3.03 -0.43 4.64 -1.65 -3.49 113.55 109.14 3ibj h SER 425 Ca -0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3ibj h SER 425 Cb 0.34 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3ibj h SER 425 CO 0.06 0.40 -0.14 0.59 -0.87 0.00 0.00 176.83 176.88 3ibj n ASN 426 N -3.00 -2.41 -4.93 4.97 3.02 0.25 -4.89 115.26 108.26 3ibj n ASN 426 Ca -0.03 -0.12 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 3ibj n ASN 426 Cb 0.73 -1.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 3ibj n ASN 426 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibj s ALA 427 N -3.07 3.70 0.15 5.41 0.00 0.10 -2.59 121.76 125.47 3ibj s ALA 427 Ca 0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3ibj s ALA 427 Cb -0.01 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3ibj s ALA 427 CO 0.13 0.12 1.42 1.49 0.00 0.00 0.00 175.76 178.92 3ibj h GLU 428 N 1.19 0.70 -2.19 0.00 4.81 0.19 -3.46 114.58 115.83 3ibj h GLU 428 Ca -0.49 -0.48 -0.06 0.00 -0.13 0.00 0.00 59.36 58.20 3ibj h GLU 428 Cb 1.21 0.07 -0.22 0.00 0.63 0.00 0.00 28.75 30.44 3ibj h GLU 428 CO 0.64 1.10 0.03 0.96 -0.73 0.00 0.00 179.01 181.01 3ibj s ILE 429 N -3.96 -0.00 -0.01 2.32 -4.36 -1.16 -5.00 121.20 109.03 3ibj s ILE 429 Ca -0.09 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.38 3ibj s ILE 429 Cb 0.10 -0.89 -0.02 0.00 1.25 0.00 0.00 42.46 42.90 3ibj s ILE 429 CO 0.87 0.00 -0.23 0.00 0.24 0.00 0.00 174.94 175.82 3ibj s SER 431 N -0.62 2.29 -0.08 0.00 1.04 -0.87 -4.97 113.70 110.48 3ibj s SER 431 Ca 0.09 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.00 3ibj s SER 431 Cb -0.09 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.87 3ibj s SER 431 CO -0.01 0.11 -0.15 0.68 0.98 0.00 0.00 173.24 174.85 3ibj s VAL 432 N -0.89 1.41 -0.14 5.02 -7.23 -1.26 -1.82 120.40 115.49 3ibj s VAL 432 Ca 0.06 -0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 3ibj s VAL 432 Cb -0.09 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 3ibj s VAL 432 CO 0.02 0.42 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.84 3ibj s PHE 433 N 0.71 3.04 -0.23 2.82 0.40 0.40 -4.04 117.98 121.09 3ibj s PHE 433 Ca -0.13 -0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3ibj s PHE 433 Cb -0.16 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3ibj s PHE 433 CO 0.03 0.08 -0.03 -0.51 0.70 0.00 0.00 175.22 175.49 3ibj s LEU 434 N 0.06 2.98 -0.05 -0.37 1.43 -0.78 0.17 118.68 122.12 3ibj s LEU 434 Ca 0.00 -0.43 -0.35 0.00 -1.03 0.00 0.00 54.13 52.32 3ibj s LEU 434 Cb -0.13 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 3ibj s LEU 434 CO 0.03 -0.04 1.74 -0.11 0.23 0.00 0.00 176.35 178.20 3ibj n LEU 435 N 4.80 3.04 -3.75 1.79 -0.00 -0.80 -1.93 117.00 120.15 3ibj n LEU 435 Ca -0.18 1.03 -0.30 0.00 -0.00 0.00 0.00 56.01 56.56 3ibj n LEU 435 Cb 0.50 -1.33 -0.09 0.00 -0.00 0.00 0.00 43.42 42.51 3ibj n LEU 435 CO 0.29 -0.26 0.15 -0.67 -0.00 0.00 0.00 177.39 176.91 3ibj n ASP 436 N 5.32 3.76 0.00 1.96 2.03 0.30 -4.89 116.55 125.03 3ibj n ASP 436 Ca 0.22 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.22 3ibj n ASP 436 Cb 0.26 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 3ibj n ASP 436 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3ibj n GLN 437 N 1.52 0.00 -0.71 -0.67 0.00 -1.26 -3.09 117.38 113.17 3ibj n GLN 437 Ca 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.25 3ibj n GLN 437 Cb 0.38 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.82 3ibj n GLN 437 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3ibj n ASN 438 N 5.98 2.08 -3.50 1.69 5.15 -1.26 -5.03 115.26 120.37 3ibj n ASN 438 Ca 0.00 -3.86 -0.13 0.00 -0.60 0.00 0.00 54.58 50.00 3ibj n ASN 438 Cb 0.00 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.62 3ibj n ASN 438 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ibj s GLU 439 N -3.25 0.96 -0.12 1.20 -1.05 -1.18 -2.63 118.70 112.63 3ibj s GLU 439 Ca 0.41 -0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 55.00 3ibj s GLU 439 Cb 0.39 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.48 3ibj s GLU 439 CO -0.04 -0.36 0.45 -0.51 0.95 0.00 0.00 175.26 175.75 3ibj s LEU 440 N -1.83 4.28 -0.39 1.83 1.43 -0.26 0.11 118.68 123.85 3ibj s LEU 440 Ca -0.03 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 3ibj s LEU 440 Cb -0.01 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.68 3ibj s LEU 440 CO -0.01 0.03 0.14 -0.69 0.23 0.00 0.00 176.35 176.04 3ibj s VAL 441 N 0.52 1.86 -0.90 -1.59 1.01 -0.81 -2.20 120.40 118.29 3ibj s VAL 441 Ca 0.25 -2.36 -0.07 0.00 0.00 0.00 0.00 61.98 59.79 3ibj s VAL 441 Cb -0.15 -2.35 0.23 0.00 0.00 0.00 0.00 36.38 34.11 3ibj s VAL 441 CO 0.10 -0.71 0.83 0.00 0.00 0.00 0.00 175.10 175.31 3ibj s ALA 442 N 0.73 4.26 0.23 5.51 0.00 -0.82 -1.87 121.76 129.79 3ibj s ALA 442 Ca 0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 51.96 48.39 3ibj s ALA 442 Cb -0.21 -3.21 0.32 0.00 0.00 0.00 0.00 23.12 20.02 3ibj s ALA 442 CO -0.09 -2.19 1.80 0.87 0.00 0.00 0.00 175.76 176.15 3ibj h LYS 443 N 6.81 0.68 -4.52 0.00 1.79 -1.76 -3.24 116.57 116.33 3ibj h LYS 443 Ca 0.13 -0.04 -0.47 0.00 -2.18 0.00 0.00 60.65 58.08 3ibj h LYS 443 Cb 0.91 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 3ibj h LYS 443 CO 0.86 0.45 1.50 1.55 -1.08 0.00 0.00 179.45 182.73 3ibj n VAL 444 N -4.79 0.00 -4.79 0.50 3.14 -1.26 -3.79 118.33 107.34 3ibj n VAL 444 Ca 0.11 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.18 3ibj n VAL 444 Cb 0.23 -0.44 -0.17 0.00 -1.06 0.00 0.00 33.84 32.40 3ibj n VAL 444 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3ibj s SER 454 N 7.60 2.88 0.20 6.55 1.04 -1.26 -4.82 113.70 125.89 3ibj s SER 454 Ca 1.18 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.08 3ibj s SER 454 Cb -1.14 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3ibj s SER 454 CO 0.45 0.09 0.02 0.00 0.98 0.00 0.00 173.24 174.77 3ibj n TYR 455 N 3.91 0.29 -4.48 5.02 -0.00 -1.25 -5.15 117.16 115.50 3ibj n TYR 455 Ca -0.20 -0.95 -0.32 0.00 -0.00 0.00 0.00 57.90 56.43 3ibj n TYR 455 Cb 0.52 -0.13 -0.16 0.00 -0.00 0.00 0.00 39.34 39.56 3ibj n TYR 455 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3ibj s GLU 456 N -2.72 2.91 -0.33 -3.48 2.02 -1.25 -4.36 118.70 111.49 3ibj s GLU 456 Ca 0.01 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.23 3ibj s GLU 456 Cb -0.00 -2.41 0.10 0.00 0.10 0.00 0.00 34.13 31.92 3ibj s GLU 456 CO 0.01 -0.08 0.03 0.42 0.02 0.00 0.00 175.26 175.66 3ibj s ILE 457 N 0.98 2.26 0.75 -1.63 1.09 -1.22 -4.91 121.20 118.51 3ibj s ILE 457 Ca -0.03 -2.26 -0.06 0.00 -1.10 0.00 0.00 60.65 57.19 3ibj s ILE 457 Cb -0.15 -2.64 0.11 0.00 -1.06 0.00 0.00 42.46 38.72 3ibj s ILE 457 CO -0.05 -0.54 1.05 -0.13 -0.10 0.00 0.00 174.94 175.18 3ibj s ARG 458 N 0.93 1.75 0.00 2.79 3.00 -1.26 -1.94 118.95 124.22 3ibj s ARG 458 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 55.73 55.25 3ibj s ARG 458 Cb -0.19 -2.17 0.00 0.00 0.00 0.00 0.00 34.95 32.59 3ibj s ARG 458 CO -0.08 -1.50 0.00 1.51 0.00 0.00 0.00 175.30 175.23 3ibj n ILE 459 N -3.03 0.00 -2.15 1.52 0.13 -0.93 -4.94 119.36 109.96 3ibj n ILE 459 Ca 0.11 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.35 3ibj n ILE 459 Cb 0.60 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.37 3ibj n ILE 459 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 3ibj s PRO 460 N -2.00 4.33 0.64 9.51 0.04 -1.26 -1.11 135.00 145.15 3ibj s PRO 460 Ca 0.00 2.12 0.30 0.00 0.04 0.00 0.00 61.00 63.46 3ibj s PRO 460 Cb 0.00 -3.21 1.64 0.00 0.04 0.00 0.00 34.50 32.97 3ibj s PRO 460 CO 0.00 -0.39 1.95 0.00 0.04 0.00 0.00 177.00 178.60 3ibj h ALA 461 N 6.13 1.53 -0.08 8.56 0.00 -1.77 -1.67 119.26 131.95 3ibj h ALA 461 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ibj h ALA 461 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ibj h ALA 461 CO 0.83 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 3ibj n ASP 462 N -3.14 2.25 -4.81 0.00 5.75 -1.26 -3.81 116.55 111.52 3ibj n ASP 462 Ca 0.00 -1.62 -0.38 0.00 -0.01 0.00 0.00 54.79 52.78 3ibj n ASP 462 Cb 0.42 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 3ibj n ASP 462 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ibj s GLN 463 N -1.07 4.18 3.07 0.11 -2.07 -0.63 -3.84 119.66 119.41 3ibj s GLN 463 Ca 0.17 0.72 0.00 0.00 -1.82 0.00 0.00 55.36 54.43 3ibj s GLN 463 Cb 0.11 -3.21 0.00 0.00 -1.09 0.00 0.00 33.01 28.82 3ibj s GLN 463 CO 0.17 0.63 0.00 0.41 -1.32 0.00 0.00 175.29 175.17 3ibj n GLY 464 N 1.64 0.45 0.26 2.60 0.00 -1.26 -1.07 105.19 107.81 3ibj n GLY 464 Ca -0.10 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3ibj n GLY 464 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ibj h ILE 465 N 0.00 0.00 -0.89 -0.61 2.04 -2.00 -1.97 117.51 114.08 3ibj h ILE 465 Ca 0.00 -0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 3ibj h ILE 465 Cb 0.00 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.93 3ibj h ILE 465 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.82 3ibj h ALA 466 N -1.69 0.25 -0.57 1.87 0.00 -1.96 0.04 119.26 117.19 3ibj h ALA 466 Ca -0.07 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3ibj h ALA 466 Cb 0.50 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3ibj h ALA 466 CO 0.11 -0.57 0.27 0.78 0.00 0.00 0.00 179.25 179.84 3ibj h GLY 467 N -0.03 0.81 0.61 0.00 0.00 -1.08 0.18 103.07 103.55 3ibj h GLY 467 Ca 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 3ibj h GLY 467 CO -0.91 0.07 -0.31 0.84 0.00 0.00 0.00 176.54 176.23 3ibj h HIS 468 N 0.50 -0.80 -1.01 5.60 6.17 -0.22 0.29 115.15 125.69 3ibj h HIS 468 Ca 0.27 -0.02 0.25 0.00 0.71 0.00 0.00 60.37 61.58 3ibj h HIS 468 Cb 0.23 0.27 -0.12 0.00 2.52 0.00 0.00 27.41 30.31 3ibj h HIS 468 CO -0.12 -0.49 0.60 0.28 0.71 0.00 0.00 177.93 178.91 3ibj h VAL 469 N -0.83 0.53 -0.35 5.26 2.07 -1.23 1.10 116.25 122.81 3ibj h VAL 469 Ca -0.08 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3ibj h VAL 469 Cb 0.64 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3ibj h VAL 469 CO 0.13 0.10 -0.42 0.00 0.02 0.00 0.00 177.57 177.40 3ibj h ALA 470 N 1.73 0.59 0.50 1.67 0.00 -0.47 0.78 119.26 124.06 3ibj h ALA 470 Ca 0.64 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ibj h ALA 470 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ibj h ALA 470 CO -0.47 0.68 -0.24 1.15 0.00 0.00 0.00 179.25 180.37 3ibj h THR 471 N 0.71 0.24 0.00 0.00 2.02 0.35 -3.32 112.91 112.90 3ibj h THR 471 Ca 0.05 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3ibj h THR 471 Cb 1.01 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ibj h THR 471 CO 0.10 0.04 -0.06 0.71 0.37 0.00 0.00 175.52 176.68 3ibj h THR 472 N -1.08 0.15 -0.95 3.16 1.35 0.97 -3.47 112.91 113.05 3ibj h THR 472 Ca -0.07 -0.67 -0.31 0.00 -0.55 0.00 0.00 66.41 64.81 3ibj h THR 472 Cb 0.59 1.58 -0.11 0.00 -1.73 0.00 0.00 68.15 68.48 3ibj h THR 472 CO 0.11 0.06 -0.30 0.61 -0.25 0.00 0.00 175.52 175.75 3ibj n GLY 473 N 0.06 1.27 2.96 5.82 0.00 0.27 -5.00 105.19 110.57 3ibj n GLY 473 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 3ibj n GLY 473 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ibj s GLN 474 N -3.52 0.79 1.00 1.61 -0.21 -1.23 -4.87 119.66 113.23 3ibj s GLN 474 Ca 0.00 -0.23 -0.25 0.00 0.02 0.00 0.00 55.36 54.91 3ibj s GLN 474 Cb 0.00 -0.76 -0.17 0.00 1.00 0.00 0.00 33.01 33.08 3ibj s GLN 474 CO 0.00 0.07 -1.31 -0.89 -2.12 0.00 0.00 175.29 171.04 3ibj n ILE 475 N 3.38 0.00 -3.54 1.08 2.08 -1.26 -4.70 119.36 116.40 3ibj n ILE 475 Ca -0.19 -0.13 -0.07 0.00 0.56 0.00 0.00 62.75 62.92 3ibj n ILE 475 Cb 0.54 -0.03 -0.08 0.00 -0.75 0.00 0.00 39.64 39.33 3ibj n ILE 475 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3ibj s LEU 476 N 7.58 -0.75 -0.10 1.39 0.20 -0.25 -5.00 118.68 121.75 3ibj s LEU 476 Ca 0.38 0.85 -0.03 0.00 0.69 0.00 0.00 54.13 56.03 3ibj s LEU 476 Cb 0.03 1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 47.20 3ibj s LEU 476 CO 0.70 -0.25 0.00 0.21 -0.29 0.00 0.00 176.35 176.72 3ibj s ASN 477 N 2.64 5.22 -0.11 3.68 3.84 -1.26 -1.93 114.94 127.02 3ibj s ASN 477 Ca 0.03 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.21 3ibj s ASN 477 Cb -0.13 -1.55 0.02 0.00 -0.55 0.00 0.00 41.25 39.04 3ibj s ASN 477 CO -0.15 0.34 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.77 3ibj s ILE 478 N -0.63 1.19 -0.03 -5.21 1.09 -0.88 -5.02 121.20 111.71 3ibj s ILE 478 Ca 0.10 -0.42 -0.08 0.00 -1.10 0.00 0.00 60.65 59.15 3ibj s ILE 478 Cb -0.12 -1.15 -0.04 0.00 -1.06 0.00 0.00 42.46 40.09 3ibj s ILE 478 CO 0.02 0.39 0.45 -0.65 -0.10 0.00 0.00 174.94 175.05 3ibj h PRO 479 N 7.85 -0.28 -6.61 2.79 0.11 -1.90 -2.98 132.00 130.98 3ibj h PRO 479 Ca -0.32 0.02 -0.70 0.00 0.11 0.00 0.00 66.00 65.11 3ibj h PRO 479 Cb 1.15 0.06 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 3ibj h PRO 479 CO 0.45 -0.19 -0.88 0.34 -0.21 0.00 0.00 178.00 177.51 3ibj s ASP 480 N -4.17 3.12 0.28 -2.05 2.15 -1.26 -3.93 116.67 110.80 3ibj s ASP 480 Ca -0.04 -0.47 0.21 0.00 0.43 0.00 0.00 52.55 52.67 3ibj s ASP 480 Cb 0.00 -0.36 0.11 0.00 -0.30 0.00 0.00 42.92 42.37 3ibj s ASP 480 CO 0.13 0.31 1.26 0.00 -0.17 0.00 0.00 175.17 176.70 3ibj h ALA 481 N 5.38 0.71 -3.00 3.66 0.00 -0.09 -3.47 119.26 122.44 3ibj h ALA 481 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ibj h ALA 481 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ibj h ALA 481 CO 0.47 0.19 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3ibj n TYR 482 N -2.91 0.00 0.00 0.00 4.02 -1.26 -5.09 117.16 111.91 3ibj n TYR 482 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3ibj n TYR 482 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3ibj n TYR 482 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3ibj n ARG 498 N 0.00 0.00 0.00 -0.72 5.12 -1.26 -5.26 116.66 114.55 3ibj n ARG 498 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ibj n ARG 498 Cb 0.00 -0.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 3ibj n ARG 498 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3ibj n THR 499 N 1.43 0.00 0.00 0.55 -1.04 -1.26 -4.93 114.28 109.02 3ibj n THR 499 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ibj n THR 499 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3ibj n THR 499 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3ibj n ARG 500 N -0.43 0.00 -3.40 -2.82 1.85 -1.26 -4.92 116.66 105.69 3ibj n ARG 500 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 3ibj n ARG 500 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 3ibj n ARG 500 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ibj s ASN 501 N -4.00 5.58 -0.19 2.89 2.20 -1.25 0.66 114.94 120.83 3ibj s ASN 501 Ca 0.00 -0.42 -0.07 0.00 -0.94 0.00 0.00 52.86 51.43 3ibj s ASN 501 Cb 0.00 -0.88 0.09 0.00 -2.00 0.00 0.00 41.25 38.46 3ibj s ASN 501 CO 0.00 -0.56 0.41 -0.63 -2.94 0.00 0.00 177.10 173.37 3ibj s ILE 502 N -2.31 -0.57 -0.26 0.54 1.01 -1.13 -0.96 121.20 117.52 3ibj s ILE 502 Ca 0.48 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 3ibj s ILE 502 Cb -0.08 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3ibj s ILE 502 CO 0.30 0.07 0.09 -0.22 0.00 0.00 0.00 174.94 175.18 3ibj s LEU 503 N 2.48 3.58 -0.05 2.97 2.96 -0.04 -2.06 118.68 128.52 3ibj s LEU 503 Ca -0.02 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3ibj s LEU 503 Cb -0.12 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.63 3ibj s LEU 503 CO -0.12 -0.06 -0.17 0.00 -1.32 0.00 0.00 176.35 174.67 3ibj s PHE 505 N 0.20 0.57 1.04 0.00 -0.12 0.74 -1.09 117.98 119.32 3ibj s PHE 505 Ca -0.08 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.11 3ibj s PHE 505 Cb -0.13 -0.35 0.21 0.00 -0.63 0.00 0.00 43.02 42.12 3ibj s PHE 505 CO 0.03 -0.13 1.12 -1.25 -0.05 0.00 0.00 175.22 174.95 3ibj s PRO 506 N -1.75 0.08 0.01 1.99 0.04 -1.26 -0.71 135.00 133.40 3ibj s PRO 506 Ca -0.10 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.19 3ibj s PRO 506 Cb -0.09 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.73 3ibj s PRO 506 CO -0.01 -2.91 0.00 -0.89 0.04 0.00 0.00 177.00 173.23 3ibj n ILE 507 N -4.25 0.16 -1.34 0.56 -0.00 0.05 -4.74 119.36 109.80 3ibj n ILE 507 Ca 0.08 0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 3ibj n ILE 507 Cb 0.58 -1.49 0.00 0.00 -0.00 0.00 0.00 39.64 38.73 3ibj n ILE 507 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 3ibj n LYS 508 N -3.06 -2.28 -0.89 0.38 2.85 -1.23 -4.50 118.16 109.44 3ibj n LYS 508 Ca 0.00 1.74 0.00 0.00 -1.05 0.00 0.00 58.31 59.00 3ibj n LYS 508 Cb 0.43 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 3ibj n LYS 508 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3ibj n ASN 509 N -1.83 0.35 -0.46 -5.58 0.23 -0.01 -4.61 115.26 103.35 3ibj n ASN 509 Ca 0.00 -0.75 0.39 0.00 -0.53 0.00 0.00 54.58 53.68 3ibj n ASN 509 Cb 0.16 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.51 3ibj n ASN 509 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ibj n GLU 510 N -0.62 -0.03 0.00 -3.83 -0.58 -1.26 -2.16 120.64 112.16 3ibj n GLU 510 Ca 0.00 1.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.91 3ibj n GLU 510 Cb 0.00 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 3ibj n GLU 510 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ibj n ASN 511 N -4.54 0.00 0.00 1.62 5.03 -1.26 -4.96 115.26 111.15 3ibj n ASN 511 Ca 0.38 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.95 3ibj n ASN 511 Cb 1.51 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 40.14 3ibj n ASN 511 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ibj n GLN 512 N -0.98 0.00 -2.34 3.52 1.13 -0.92 -5.09 117.38 112.70 3ibj n GLN 512 Ca 0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 3ibj n GLN 512 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 3ibj n GLN 512 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3ibj s GLU 513 N 0.00 2.97 -0.35 -1.09 2.02 -1.26 -4.69 118.70 116.30 3ibj s GLU 513 Ca 0.00 0.09 -0.41 0.00 0.02 0.00 0.00 54.97 54.67 3ibj s GLU 513 Cb 0.00 -4.28 -0.16 0.00 0.10 0.00 0.00 34.13 29.79 3ibj s GLU 513 CO 0.00 -2.39 1.83 0.28 0.02 0.00 0.00 175.26 175.00 3ibj n VAL 514 N 6.73 0.21 0.60 2.63 0.31 -1.26 -0.83 118.33 126.71 3ibj n VAL 514 Ca 0.10 -0.07 0.06 0.00 -0.01 0.00 0.00 64.34 64.43 3ibj n VAL 514 Cb 0.50 -1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 3ibj n VAL 514 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj n ILE 515 N 5.09 0.00 -3.88 2.52 0.00 -1.26 -4.58 119.36 117.24 3ibj n ILE 515 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 62.75 62.87 3ibj n ILE 515 Cb 0.09 1.01 0.01 0.00 0.00 0.00 0.00 39.64 40.75 3ibj n ILE 515 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ibj s GLY 516 N -2.16 -0.10 -0.11 4.50 0.00 -1.26 -1.90 107.32 106.29 3ibj s GLY 516 Ca 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 3ibj s GLY 516 CO 0.51 3.44 0.45 0.14 0.00 0.00 0.00 173.10 177.64 3ibj s VAL 517 N -2.19 0.02 -0.01 1.40 1.01 0.44 -0.77 120.40 120.30 3ibj s VAL 517 Ca 0.24 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3ibj s VAL 517 Cb -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3ibj s VAL 517 CO 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 175.10 174.94 3ibj s ALA 518 N -0.47 0.72 -0.06 5.51 0.00 0.11 0.15 121.76 127.72 3ibj s ALA 518 Ca -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.58 3ibj s ALA 518 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3ibj s ALA 518 CO 0.03 0.17 -0.17 -1.83 0.00 0.00 0.00 175.76 173.96 3ibj s GLU 519 N -0.16 1.99 -0.10 0.00 -1.05 -0.76 -0.18 118.70 118.44 3ibj s GLU 519 Ca 0.03 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.21 3ibj s GLU 519 Cb -0.04 -1.65 -0.03 0.00 -0.44 0.00 0.00 34.13 31.97 3ibj s GLU 519 CO -0.00 0.17 0.03 -0.51 0.95 0.00 0.00 175.26 175.90 3ibj s LEU 520 N 0.27 3.72 -0.06 1.83 1.43 0.24 -2.05 118.68 124.06 3ibj s LEU 520 Ca -0.10 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3ibj s LEU 520 Cb -0.14 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3ibj s LEU 520 CO 0.04 0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 176.08 3ibj s VAL 521 N -0.74 2.52 0.28 -1.59 1.01 0.39 -0.86 120.40 121.42 3ibj s VAL 521 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3ibj s VAL 521 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3ibj s VAL 521 CO 0.02 0.57 0.00 0.59 0.00 0.00 0.00 175.10 176.28 3ibj n ASN 522 N 2.77 -8.76 -4.80 3.32 3.02 -0.14 -1.34 115.26 109.34 3ibj n ASN 522 Ca -0.17 1.39 -0.38 0.00 -0.03 0.00 0.00 54.58 55.39 3ibj n ASN 522 Cb 0.52 -4.98 -0.06 0.00 -0.61 0.00 0.00 39.78 34.65 3ibj n ASN 522 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ibj s LYS 523 N -1.20 4.39 -0.11 3.52 2.47 -1.26 -1.09 119.74 126.46 3ibj s LYS 523 Ca 0.00 0.98 -0.16 0.00 -1.56 0.00 0.00 55.97 55.24 3ibj s LYS 523 Cb 0.00 -3.11 -0.05 0.00 -1.46 0.00 0.00 37.83 33.21 3ibj s LYS 523 CO 0.00 0.51 0.39 0.42 0.16 0.00 0.00 175.35 176.84 3ibj s ILE 524 N -1.29 5.20 -1.02 5.43 -1.09 -1.07 -4.20 121.20 123.17 3ibj s ILE 524 Ca 0.38 0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 59.49 3ibj s ILE 524 Cb -0.20 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3ibj s ILE 524 CO 0.23 0.41 0.85 -3.20 -1.23 0.00 0.00 174.94 172.00 3ibj n ASN 525 N 3.20 -6.48 0.00 3.58 5.15 -1.26 -4.99 115.26 114.45 3ibj n ASN 525 Ca -0.10 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 3ibj n ASN 525 Cb 0.52 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.06 3ibj n ASN 525 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ibj n GLY 526 N -1.43 1.80 0.09 8.20 0.00 -1.26 -4.99 105.19 107.59 3ibj n GLY 526 Ca -0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 3ibj n GLY 526 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibj h PRO 527 N 0.00 0.08 0.00 1.61 0.13 -1.94 -3.42 132.00 128.45 3ibj h PRO 527 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3ibj h PRO 527 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3ibj h PRO 527 CO 0.00 0.99 0.00 -2.67 -0.23 0.00 0.00 178.00 176.09 3ibj n TRP 528 N -3.48 0.00 -3.90 1.56 4.27 -1.26 -4.80 117.44 109.83 3ibj n TRP 528 Ca -0.02 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.24 3ibj n TRP 528 Cb 0.90 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.71 3ibj n TRP 528 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 3ibj s PHE 529 N 0.17 3.08 0.10 -2.67 0.40 -1.26 -4.58 117.98 113.22 3ibj s PHE 529 Ca 0.00 -1.34 -0.36 0.00 -0.60 0.00 0.00 56.93 54.63 3ibj s PHE 529 Cb 0.00 -2.12 -0.17 0.00 0.51 0.00 0.00 43.02 41.25 3ibj s PHE 529 CO 0.00 -0.67 1.31 0.43 0.70 0.00 0.00 175.22 176.98 3ibj n SER 530 N 4.73 1.59 0.00 1.36 7.64 -1.26 -4.70 113.62 122.98 3ibj n SER 530 Ca -0.16 1.12 0.01 0.00 1.01 0.00 0.00 58.87 60.85 3ibj n SER 530 Cb 0.48 -1.20 0.06 0.00 -1.01 0.00 0.00 64.21 62.54 3ibj n SER 530 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ibj n LYS 531 N 2.37 0.09 -0.06 1.43 4.76 -1.26 0.42 118.16 125.91 3ibj n LYS 531 Ca 0.18 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 3ibj n LYS 531 Cb 0.20 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 31.90 3ibj n LYS 531 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3ibj n PHE 532 N -0.85 0.55 -2.20 2.13 7.35 -1.26 -4.39 117.46 118.79 3ibj n PHE 532 Ca 0.01 0.16 -0.38 0.00 -0.76 0.00 0.00 57.45 56.49 3ibj n PHE 532 Cb 0.01 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 38.72 3ibj n PHE 532 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3ibj n ASP 533 N -3.08 4.01 0.00 -2.13 8.00 1.43 -2.02 116.55 122.76 3ibj n ASP 533 Ca -0.30 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.38 3ibj n ASP 533 Cb 1.07 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 3ibj n ASP 533 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ibj n GLU 534 N 7.99 0.00 0.14 -1.24 1.02 -1.25 -4.50 120.64 122.79 3ibj n GLU 534 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3ibj n GLU 534 Cb 0.45 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.00 3ibj n GLU 534 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ibj h ASP 535 N 0.00 0.00 0.08 1.62 5.19 -1.67 1.09 116.42 122.74 3ibj h ASP 535 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 3ibj h ASP 535 Cb 0.00 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.54 3ibj h ASP 535 CO 0.00 0.60 -1.14 0.25 -3.12 0.00 0.00 179.24 175.84 3ibj h LEU 536 N 0.00 0.86 -0.73 1.55 6.46 -1.74 0.05 115.31 121.75 3ibj h LEU 536 Ca -0.01 -0.80 -0.12 0.00 -0.12 0.00 0.00 57.88 56.83 3ibj h LEU 536 Cb 1.24 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 3ibj h LEU 536 CO 0.08 1.56 -0.29 0.00 -0.62 0.00 0.00 178.44 179.17 3ibj h ALA 537 N 0.31 0.91 -0.45 1.25 0.00 -1.69 -1.16 119.26 118.42 3ibj h ALA 537 Ca -0.17 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3ibj h ALA 537 Cb 1.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3ibj h ALA 537 CO 0.22 0.62 -0.21 1.15 0.00 0.00 0.00 179.25 181.03 3ibj h THR 538 N 0.56 1.27 0.55 0.00 2.02 0.12 0.78 112.91 118.21 3ibj h THR 538 Ca 0.07 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 3ibj h THR 538 Cb 0.78 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3ibj h THR 538 CO 0.06 0.46 -0.37 0.00 0.37 0.00 0.00 175.52 176.05 3ibj h ALA 539 N 0.96 -0.90 -0.32 6.16 0.00 -0.50 -2.61 119.26 122.04 3ibj h ALA 539 Ca 0.11 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ibj h ALA 539 Cb 0.76 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3ibj h ALA 539 CO 0.06 -1.03 -0.19 0.35 0.00 0.00 0.00 179.25 178.44 3ibj h PHE 540 N -0.88 -0.50 0.00 0.00 3.57 -1.16 -1.63 116.94 116.35 3ibj h PHE 540 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ibj h PHE 540 Cb 0.73 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3ibj h PHE 540 CO -0.12 -0.27 0.19 0.45 -2.23 0.00 0.00 178.31 176.32 3ibj n SER 541 N -5.36 0.16 0.11 0.41 2.88 0.26 0.94 113.62 113.02 3ibj n SER 541 Ca 0.01 0.45 -0.24 0.00 -1.33 0.00 0.00 58.87 57.76 3ibj n SER 541 Cb 0.27 -0.44 -0.15 0.00 -0.75 0.00 0.00 64.21 63.14 3ibj n SER 541 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ibj h ILE 542 N 0.00 1.12 0.00 2.46 2.04 -1.05 -3.07 117.51 119.01 3ibj h ILE 542 Ca 0.00 -2.62 -0.07 0.00 1.00 0.00 0.00 64.86 63.16 3ibj h ILE 542 Cb 0.38 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3ibj h ILE 542 CO 0.00 0.84 -0.35 1.88 0.00 0.00 0.00 178.15 180.52 3ibj h TYR 543 N 0.13 0.00 -0.26 1.37 -1.99 0.48 -1.56 116.97 115.14 3ibj h TYR 543 Ca -0.30 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.31 3ibj h TYR 543 Cb 2.13 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.86 3ibj h TYR 543 CO 0.11 0.35 -0.33 0.00 -0.00 0.00 0.00 178.16 178.30 3ibj h GLY 545 N 0.40 0.76 0.95 0.00 0.00 -1.43 0.19 103.07 103.94 3ibj h GLY 545 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.68 3ibj h GLY 545 CO 0.08 0.63 0.04 -2.22 0.00 0.00 0.00 176.54 175.07 3ibj h ILE 546 N 0.48 0.99 -0.12 2.60 1.08 -1.29 -1.09 117.51 120.15 3ibj h ILE 546 Ca 0.07 -0.03 -0.23 0.00 -0.39 0.00 0.00 64.86 64.28 3ibj h ILE 546 Cb 0.70 0.89 0.01 0.00 -3.07 0.00 0.00 36.82 35.36 3ibj h ILE 546 CO 0.05 0.02 -0.84 0.77 -0.69 0.00 0.00 178.15 177.46 3ibj h SER 547 N 0.09 0.94 -0.10 1.72 4.64 -1.14 -3.00 113.55 116.71 3ibj h SER 547 Ca 0.04 -0.64 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 3ibj h SER 547 Cb 0.01 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.82 3ibj h SER 547 CO -0.03 1.45 0.03 0.40 -0.87 0.00 0.00 176.83 177.80 3ibj h ILE 548 N 0.51 1.18 -0.51 0.95 2.04 -0.61 0.48 117.51 121.56 3ibj h ILE 548 Ca -0.07 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.34 3ibj h ILE 548 Cb 1.47 1.37 -0.09 0.00 -0.74 0.00 0.00 36.82 38.83 3ibj h ILE 548 CO 0.17 0.16 -0.10 0.00 0.00 0.00 0.00 178.15 178.38 3ibj h ALA 549 N 0.83 0.37 -0.12 1.87 0.00 -1.27 -0.09 119.26 120.85 3ibj h ALA 549 Ca 0.03 0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3ibj h ALA 549 Cb 0.23 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ibj h ALA 549 CO -0.00 -0.43 -0.59 1.25 0.00 0.00 0.00 179.25 179.48 3ibj h HIS 550 N 0.02 0.84 -1.00 0.00 -0.00 -1.45 -2.51 115.15 111.06 3ibj h HIS 550 Ca 0.25 -0.37 0.18 0.00 -0.00 0.00 0.00 60.37 60.43 3ibj h HIS 550 Cb 0.38 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.56 3ibj h HIS 550 CO -0.40 1.16 0.62 1.03 -0.00 0.00 0.00 177.93 180.34 3ibj h SER 551 N 0.27 0.77 0.00 3.26 0.87 0.01 -0.81 113.55 117.93 3ibj h SER 551 Ca -0.04 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3ibj h SER 551 Cb 1.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3ibj h SER 551 CO 0.12 0.30 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.50 3ibj h LEU 552 N 0.77 0.14 -0.78 2.23 3.38 -1.10 -2.91 115.31 117.03 3ibj h LEU 552 Ca 0.56 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ibj h LEU 552 Cb 0.86 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ibj h LEU 552 CO -0.34 0.91 0.12 -0.11 0.09 0.00 0.00 178.44 179.10 3ibj n LEU 553 N -4.58 0.31 -0.09 1.67 0.00 -0.70 -0.63 117.00 112.98 3ibj n LEU 553 Ca -0.10 0.58 -0.08 0.00 0.00 0.00 0.00 56.01 56.41 3ibj n LEU 553 Cb 0.46 -0.59 -0.15 0.00 0.00 0.00 0.00 43.42 43.14 3ibj n LEU 553 CO 0.37 -0.69 -1.11 0.00 0.00 0.00 0.00 177.39 175.97 3ibj n TYR 554 N -1.91 0.00 0.17 1.96 9.36 -0.39 -4.10 117.16 122.25 3ibj n TYR 554 Ca -0.01 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.07 3ibj n TYR 554 Cb 0.14 -0.93 -0.08 0.00 -0.63 0.00 0.00 39.34 37.84 3ibj n TYR 554 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 3ibj h LYS 555 N 0.00 -0.42 -0.96 2.98 3.64 -0.66 -2.58 116.57 118.57 3ibj h LYS 555 Ca -0.49 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.21 3ibj h LYS 555 Cb 2.12 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 33.86 3ibj h LYS 555 CO 0.03 -0.14 0.18 0.87 -2.27 0.00 0.00 179.45 178.12 3ibj h LYS 556 N -0.67 0.05 0.28 1.90 1.79 -1.52 0.26 116.57 118.66 3ibj h LYS 556 Ca -0.04 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3ibj h LYS 556 Cb 0.47 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ibj h LYS 556 CO 0.07 0.04 -0.13 0.28 -1.08 0.00 0.00 179.45 178.62 3ibj h VAL 557 N 0.06 0.00 -1.01 0.50 2.07 -1.69 -2.13 116.25 114.05 3ibj h VAL 557 Ca 0.64 -0.12 0.32 0.00 0.82 0.00 0.00 66.70 68.36 3ibj h VAL 557 Cb 1.41 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.04 3ibj h VAL 557 CO -0.83 0.00 0.58 0.78 0.02 0.00 0.00 177.57 178.13 3ibj h ASN 558 N -0.50 0.52 0.36 0.57 2.35 -0.89 0.48 115.58 118.47 3ibj h ASN 558 Ca -0.04 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3ibj h ASN 558 Cb 0.29 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3ibj h ASN 558 CO 0.06 -0.12 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.22 3ibj h GLU 559 N 0.33 -0.46 -0.21 0.81 4.39 -0.54 -2.12 114.58 116.78 3ibj h GLU 559 Ca 0.73 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.49 3ibj h GLU 559 Cb 1.68 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.39 3ibj h GLU 559 CO -0.59 -0.31 -0.36 0.00 -1.16 0.00 0.00 179.01 176.60 3ibj h ALA 560 N -1.76 -0.64 -0.87 3.43 0.00 -0.46 0.04 119.26 118.99 3ibj h ALA 560 Ca -0.05 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.10 3ibj h ALA 560 Cb 0.37 0.94 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3ibj h ALA 560 CO 0.08 -0.80 0.79 0.37 0.00 0.00 0.00 179.25 179.69 3ibj h GLN 561 N -0.29 0.00 0.18 0.00 5.75 -0.18 0.33 115.11 120.90 3ibj h GLN 561 Ca 0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3ibj h GLN 561 Cb 0.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3ibj h GLN 561 CO -0.35 0.00 -0.09 -0.92 -2.65 0.00 0.00 178.83 174.82 3ibj h TYR 562 N 0.00 -0.22 -1.03 3.99 3.20 -0.28 -3.10 116.97 119.53 3ibj h TYR 562 Ca 0.41 -0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.55 3ibj h TYR 562 Cb 1.99 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 40.27 3ibj h TYR 562 CO 0.00 0.13 0.69 0.00 -1.64 0.00 0.00 178.16 177.35 3ibj h ARG 563 N -0.96 0.26 -0.39 1.82 3.08 -0.54 0.25 114.38 117.90 3ibj h ARG 563 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3ibj h ARG 563 Cb 0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3ibj h ARG 563 CO 0.04 0.17 0.17 0.77 -1.07 0.00 0.00 179.97 180.05 3ibj h SER 564 N 0.27 0.48 0.27 7.04 0.02 -0.95 -2.89 113.55 117.79 3ibj h SER 564 Ca 0.55 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.29 3ibj h SER 564 Cb 1.64 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 64.02 3ibj h SER 564 CO -0.18 0.43 -1.88 0.00 -1.14 0.00 0.00 176.83 174.05 3ibj n HIS 565 N -4.40 0.35 -0.34 3.45 1.44 0.77 -2.45 115.22 114.05 3ibj n HIS 565 Ca 0.03 0.12 0.08 0.00 -2.01 0.00 0.00 57.72 55.93 3ibj n HIS 565 Cb 0.13 -0.86 0.25 0.00 0.12 0.00 0.00 29.99 29.63 3ibj n HIS 565 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3ibj h LEU 566 N 0.00 0.80 0.12 2.39 -0.00 -1.15 1.75 115.31 119.22 3ibj h LEU 566 Ca -0.22 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 3ibj h LEU 566 Cb 1.55 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.13 3ibj h LEU 566 CO 0.02 0.39 -0.06 0.00 -0.00 0.00 0.00 178.44 178.80 3ibj h ALA 567 N 1.56 -0.16 -0.23 1.53 0.00 -1.64 -3.21 119.26 117.11 3ibj h ALA 567 Ca 0.50 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3ibj h ALA 567 Cb 0.59 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ibj h ALA 567 CO -0.30 -0.28 0.16 -0.97 0.00 0.00 0.00 179.25 177.85 3ibj h ASN 568 N -0.78 0.24 0.82 0.00 -1.24 -0.72 0.51 115.58 114.41 3ibj h ASN 568 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3ibj h ASN 568 Cb 0.55 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3ibj h ASN 568 CO 0.03 0.17 0.00 -0.33 -1.29 0.00 0.00 177.43 176.01 3ibj h GLU 569 N 0.28 0.00 -0.66 6.67 4.39 0.25 -2.48 114.58 123.04 3ibj h GLU 569 Ca 0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 3ibj h GLU 569 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3ibj h GLU 569 CO -0.02 0.00 0.22 1.98 -1.16 0.00 0.00 179.01 180.04 3ibj h MET 570 N 0.00 1.01 0.00 2.33 4.05 0.02 -1.72 114.93 120.62 3ibj h MET 570 Ca 0.00 -0.21 -0.08 0.00 -0.28 0.00 0.00 59.70 59.14 3ibj h MET 570 Cb 0.41 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3ibj h MET 570 CO 0.00 0.87 -0.37 0.52 0.23 0.00 0.00 176.91 178.16 3ibj h MET 571 N 0.94 0.00 -7.03 0.39 2.86 -1.38 -3.41 114.93 107.30 3ibj h MET 571 Ca 0.21 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.39 3ibj h MET 571 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 3ibj h MET 571 CO -0.01 0.37 0.38 -1.64 1.06 0.00 0.00 176.91 177.07 3ibj s MET 572 N -4.13 4.02 -0.41 1.72 1.00 -0.65 -4.83 119.30 116.02 3ibj s MET 572 Ca -0.03 1.36 -0.01 0.00 0.00 0.00 0.00 55.69 57.01 3ibj s MET 572 Cb 0.14 -2.26 0.30 0.00 0.00 0.00 0.00 34.83 33.01 3ibj s MET 572 CO 0.72 -0.24 1.98 0.66 0.00 0.00 0.00 175.02 178.14 3ibj n TYR 573 N -0.59 2.05 -1.90 -0.03 4.02 -1.26 -4.71 117.16 114.74 3ibj n TYR 573 Ca 0.07 -2.21 -0.21 0.00 -0.01 0.00 0.00 57.90 55.55 3ibj n TYR 573 Cb 0.52 -1.07 -0.06 0.00 -0.02 0.00 0.00 39.34 38.71 3ibj n TYR 573 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3ibj n HIS 574 N -0.09 -0.38 0.00 -0.72 8.25 -1.26 -4.87 115.22 116.16 3ibj n HIS 574 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 3ibj n HIS 574 Cb 0.66 -3.64 0.00 0.00 1.12 0.00 0.00 29.99 28.14 3ibj n HIS 574 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ibj n MET 575 N -2.62 0.00 -3.03 -0.41 2.81 -1.26 -4.86 117.12 107.74 3ibj n MET 575 Ca -0.22 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.22 3ibj n MET 575 Cb 0.68 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.17 3ibj n MET 575 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ibj s LYS 576 N 0.00 3.56 -0.66 0.03 3.01 -1.26 -4.95 119.74 119.47 3ibj s LYS 576 Ca 0.00 -1.89 -0.03 0.00 -1.01 0.00 0.00 55.97 53.04 3ibj s LYS 576 Cb 0.00 -4.74 0.17 0.00 -1.01 0.00 0.00 37.83 32.24 3ibj s LYS 576 CO 0.00 -1.64 0.48 0.08 0.51 0.00 0.00 175.35 174.78 3ibj s VAL 577 N 2.09 3.84 0.70 3.17 1.01 -1.26 -5.03 120.40 124.92 3ibj s VAL 577 Ca 0.28 -3.05 -0.15 0.00 0.00 0.00 0.00 61.98 59.06 3ibj s VAL 577 Cb -0.07 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3ibj s VAL 577 CO -0.08 -0.91 1.15 -0.94 0.00 0.00 0.00 175.10 174.32 3ibj s SER 578 N 0.63 4.66 0.17 3.32 1.04 -1.26 -4.89 113.70 117.37 3ibj s SER 578 Ca 0.18 2.14 -0.14 0.00 0.48 0.00 0.00 55.95 58.62 3ibj s SER 578 Cb -0.19 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.46 3ibj s SER 578 CO -0.04 -1.94 1.81 0.44 0.98 0.00 0.00 173.24 174.49 3ibj h ASP 579 N -0.19 0.48 -0.65 7.02 5.19 -1.99 -1.44 116.42 124.84 3ibj h ASP 579 Ca -0.47 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.03 3ibj h ASP 579 Cb 1.27 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.61 3ibj h ASP 579 CO 0.52 0.34 0.30 0.44 -3.12 0.00 0.00 179.24 177.72 3ibj h ASP 580 N 0.60 0.37 -0.13 6.45 5.19 -1.98 0.19 116.42 127.10 3ibj h ASP 580 Ca 0.20 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.72 3ibj h ASP 580 Cb 0.02 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.48 3ibj h ASP 580 CO -0.09 0.22 -0.28 -0.33 -3.12 0.00 0.00 179.24 175.64 3ibj h GLU 581 N 0.52 -0.33 -0.15 3.56 5.08 -1.65 0.24 114.58 121.86 3ibj h GLU 581 Ca 0.32 0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.48 3ibj h GLU 581 Cb 0.35 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3ibj h GLU 581 CO -0.27 -0.22 -0.79 0.10 -1.00 0.00 0.00 179.01 176.83 3ibj h TYR 582 N -0.34 1.09 -0.81 4.33 -0.00 -0.86 -2.66 116.97 117.71 3ibj h TYR 582 Ca 0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 58.73 58.31 3ibj h TYR 582 Cb 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 36.73 37.03 3ibj h TYR 582 CO -0.37 1.32 0.35 1.79 -0.00 0.00 0.00 178.16 181.25 3ibj h THR 583 N 0.54 1.26 -0.35 -0.90 1.35 -0.49 0.53 112.91 114.85 3ibj h THR 583 Ca -0.06 -0.79 0.04 0.00 -0.55 0.00 0.00 66.41 65.05 3ibj h THR 583 Cb 1.42 0.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 3ibj h THR 583 CO 0.16 0.33 0.13 0.11 -0.25 0.00 0.00 175.52 176.00 3ibj h LYS 584 N 1.17 0.28 -0.06 4.72 1.57 -0.47 -2.45 116.57 121.33 3ibj h LYS 584 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3ibj h LYS 584 Cb 0.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ibj h LYS 584 CO -0.03 0.19 -0.02 1.25 -0.57 0.00 0.00 179.45 180.27 3ibj h LEU 585 N 0.29 0.12 -5.66 2.94 6.46 -1.20 -3.32 115.31 114.94 3ibj h LEU 585 Ca 0.16 -0.40 -0.70 0.00 -0.12 0.00 0.00 57.88 56.81 3ibj h LEU 585 Cb 0.12 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3ibj h LEU 585 CO -0.15 0.49 3.28 0.18 -0.62 0.00 0.00 178.44 181.62 3ibj n LEU 586 N -4.81 7.59 -3.91 2.25 4.77 0.18 -4.81 117.00 118.27 3ibj n LEU 586 Ca -0.07 -4.30 -0.43 0.00 -0.03 0.00 0.00 56.01 51.18 3ibj n LEU 586 Cb 0.24 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 39.74 3ibj n LEU 586 CO 0.35 1.52 1.31 1.57 -1.33 0.00 0.00 177.39 180.81 3ibj n HIS 587 N 4.82 2.39 0.00 -1.77 -0.00 -1.15 -4.73 115.22 114.77 3ibj n HIS 587 Ca 0.61 -2.59 0.00 0.00 0.46 0.00 0.00 57.72 56.20 3ibj n HIS 587 Cb 0.32 -1.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.86 3ibj n HIS 587 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3ibj n ASP 588 N 1.37 0.00 -4.26 0.26 9.92 -1.26 -4.78 116.55 117.80 3ibj n ASP 588 Ca 0.32 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 54.18 3ibj n ASP 588 Cb 0.32 -0.35 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 3ibj n ASP 588 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ibj s GLY 589 N -0.56 1.96 0.37 0.44 0.00 -1.26 -4.88 107.32 103.38 3ibj s GLY 589 Ca 0.00 -2.15 0.26 0.00 0.00 0.00 0.00 44.72 42.83 3ibj s GLY 589 CO 0.00 0.96 1.73 -2.22 0.00 0.00 0.00 173.10 173.57 3ibj h ILE 590 N 6.10 0.00 -1.80 0.90 2.04 -1.93 -3.48 117.51 119.34 3ibj h ILE 590 Ca -0.22 -0.67 0.13 0.00 1.00 0.00 0.00 64.86 65.10 3ibj h ILE 590 Cb 1.08 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 3ibj h ILE 590 CO 0.74 0.00 -0.61 1.67 0.00 0.00 0.00 178.15 179.95 3ibj n GLN 591 N -2.74 -1.78 -4.16 2.37 7.27 -1.26 -4.25 117.38 112.83 3ibj n GLN 591 Ca 0.04 1.44 -0.27 0.00 0.07 0.00 0.00 57.00 58.28 3ibj n GLN 591 Cb 0.43 -1.98 -0.07 0.00 2.41 0.00 0.00 30.24 31.03 3ibj n GLN 591 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ibj s PRO 592 N -3.93 2.59 0.26 3.69 0.04 -1.26 -4.64 135.00 131.75 3ibj s PRO 592 Ca 0.00 -1.01 -0.02 0.00 0.04 0.00 0.00 61.00 60.01 3ibj s PRO 592 Cb 0.00 -2.47 0.49 0.00 0.04 0.00 0.00 34.50 32.57 3ibj s PRO 592 CO 0.00 0.47 1.79 0.28 0.04 0.00 0.00 177.00 179.58 3ibj h VAL 593 N 2.33 0.82 -1.01 -0.36 2.07 -1.92 -1.62 116.25 116.54 3ibj h VAL 593 Ca -0.47 -0.25 0.26 0.00 0.82 0.00 0.00 66.70 67.06 3ibj h VAL 593 Cb 1.20 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 3ibj h VAL 593 CO 0.60 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.93 3ibj h ALA 594 N 1.52 1.88 -0.00 1.67 0.00 -1.94 0.45 119.26 122.85 3ibj h ALA 594 Ca 0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3ibj h ALA 594 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ibj h ALA 594 CO -0.31 -0.37 -0.05 0.00 0.00 0.00 0.00 179.25 178.52 3ibj n ALA 595 N -2.33 2.61 0.01 0.00 0.00 -0.62 -3.73 120.51 116.46 3ibj n ALA 595 Ca 0.28 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 3ibj n ALA 595 Cb 0.81 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 3ibj n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ibj h ILE 596 N 0.21 1.24 -1.42 0.00 1.08 -0.06 -3.49 117.51 115.07 3ibj h ILE 596 Ca 0.00 -1.22 0.22 0.00 -0.39 0.00 0.00 64.86 63.47 3ibj h ILE 596 Cb 0.30 2.01 -0.21 0.00 -3.07 0.00 0.00 36.82 35.84 3ibj h ILE 596 CO 0.00 0.29 0.79 -0.62 -0.69 0.00 0.00 178.15 177.93 3ibj s ASP 597 N -5.64 -0.16 0.00 1.72 -1.08 -1.23 -5.01 116.67 105.27 3ibj s ASP 597 Ca -0.15 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 3ibj s ASP 597 Cb 0.01 0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.62 3ibj s ASP 597 CO 0.61 -0.22 0.39 -1.54 0.52 0.00 0.00 175.17 174.94 3ibj n SER 598 N 0.16 0.00 0.00 -0.34 3.41 -1.26 -2.99 113.62 112.60 3ibj n SER 598 Ca -0.02 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3ibj n SER 598 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3ibj n SER 598 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ibj n ASN 599 N -0.47 0.00 0.29 4.04 4.05 -1.26 -4.03 115.26 117.88 3ibj n ASN 599 Ca 0.00 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.17 3ibj n ASN 599 Cb 0.00 0.00 0.75 0.00 1.23 0.00 0.00 39.78 41.76 3ibj n ASN 599 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 3ibj h PHE 600 N 0.00 0.00 -0.02 1.20 3.57 -1.91 -1.66 116.94 118.12 3ibj h PHE 600 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ibj h PHE 600 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3ibj h PHE 600 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 3ibj n ALA 601 N -1.83 2.46 -2.59 2.41 0.00 -1.26 -4.96 120.51 114.75 3ibj n ALA 601 Ca -0.02 -0.58 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 3ibj n ALA 601 Cb 0.32 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 3ibj n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ibj s SER 602 N -0.53 6.69 0.08 0.00 0.15 -0.62 -4.83 113.70 114.63 3ibj s SER 602 Ca 0.07 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.56 3ibj s SER 602 Cb 0.05 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 3ibj s SER 602 CO 0.08 0.29 0.65 0.49 1.20 0.00 0.00 173.24 175.94 3ibj n PHE 603 N 1.53 0.03 1.13 3.44 3.72 -1.26 0.88 117.46 126.92 3ibj n PHE 603 Ca -0.13 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.41 3ibj n PHE 603 Cb 0.53 -0.10 0.28 0.00 -0.94 0.00 0.00 39.48 39.24 3ibj n PHE 603 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ibj n THR 604 N -1.25 0.06 -2.00 4.37 -2.24 -1.26 -4.89 114.28 107.08 3ibj n THR 604 Ca -0.00 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 3ibj n THR 604 Cb 0.47 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3ibj n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ibj s TYR 605 N -1.94 2.83 -0.48 4.78 5.04 0.25 -4.94 117.35 122.89 3ibj s TYR 605 Ca 0.33 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 3ibj s TYR 605 Cb 0.20 -3.09 0.14 0.00 0.35 0.00 0.00 41.96 39.56 3ibj s TYR 605 CO 0.31 -1.34 0.26 0.95 -1.34 0.00 0.00 175.55 174.40 3ibj s THR 606 N -2.32 1.93 0.43 4.34 -4.23 -1.26 -4.98 115.64 109.55 3ibj s THR 606 Ca 0.66 -2.95 0.31 0.00 -1.18 0.00 0.00 61.69 58.52 3ibj s THR 606 Cb -0.18 -2.34 0.48 0.00 1.34 0.00 0.00 72.50 71.80 3ibj s THR 606 CO 0.36 -0.87 1.58 1.55 -0.54 0.00 0.00 174.62 176.70 3ibj h PRO 607 N 6.54 0.00 0.00 3.99 0.13 -1.96 1.86 132.00 142.57 3ibj h PRO 607 Ca -0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ibj h PRO 607 Cb 0.90 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ibj h PRO 607 CO 0.57 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.89 3ibj n ARG 608 N -4.83 0.01 0.20 0.86 1.74 -1.26 -2.22 116.66 111.16 3ibj n ARG 608 Ca 0.40 0.31 0.08 0.00 -0.77 0.00 0.00 57.85 57.87 3ibj n ARG 608 Cb 1.53 -1.51 0.36 0.00 -1.02 0.00 0.00 32.46 31.81 3ibj n ARG 608 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ibj h SER 609 N 0.00 0.00 -3.97 0.55 4.64 0.25 -3.45 113.55 111.57 3ibj h SER 609 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3ibj h SER 609 Cb 0.20 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.44 3ibj h SER 609 CO 0.00 0.28 0.22 -0.76 -0.87 0.00 0.00 176.83 175.71 3ibj s LEU 610 N -6.75 1.66 0.65 5.97 1.02 -0.94 -5.04 118.68 115.26 3ibj s LEU 610 Ca 0.01 1.07 -0.13 0.00 0.02 0.00 0.00 54.13 55.10 3ibj s LEU 610 Cb 0.10 -3.27 -0.01 0.00 0.02 0.00 0.00 46.19 43.03 3ibj s LEU 610 CO 0.66 -3.02 1.07 -2.84 0.02 0.00 0.00 176.35 172.24 3ibj s PRO 611 N -5.09 3.03 0.22 1.29 0.02 -1.26 -4.98 135.00 128.23 3ibj s PRO 611 Ca 0.65 1.12 0.24 0.00 0.02 0.00 0.00 61.00 63.03 3ibj s PRO 611 Cb -0.17 -2.00 0.39 0.00 0.02 0.00 0.00 34.50 32.75 3ibj s PRO 611 CO 0.56 -1.03 1.44 1.49 -0.33 0.00 0.00 177.00 179.12 3ibj h GLU 612 N -0.18 0.00 -0.01 5.54 4.81 -1.96 -3.28 114.58 119.50 3ibj h GLU 612 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ibj h GLU 612 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3ibj h GLU 612 CO 0.56 0.00 -0.43 -0.25 -0.73 0.00 0.00 179.01 178.16 3ibj n ASP 613 N -2.44 1.47 -1.10 1.04 8.00 -1.26 -3.60 116.55 118.67 3ibj n ASP 613 Ca 0.03 -1.16 0.11 0.00 0.71 0.00 0.00 54.79 54.48 3ibj n ASP 613 Cb 0.47 0.37 0.23 0.00 -0.02 0.00 0.00 41.12 42.17 3ibj n ASP 613 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ibj n ASP 614 N -0.46 3.45 -0.04 -2.24 8.00 -1.24 -4.64 116.55 119.38 3ibj n ASP 614 Ca 0.10 -1.96 -0.07 0.00 0.71 0.00 0.00 54.79 53.57 3ibj n ASP 614 Cb 0.40 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 3ibj n ASP 614 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ibj h THR 615 N 3.93 0.77 -0.26 -3.53 1.35 -1.64 -3.25 112.91 110.28 3ibj h THR 615 Ca 0.00 -1.50 0.08 0.00 -0.55 0.00 0.00 66.41 64.43 3ibj h THR 615 Cb 0.92 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3ibj h THR 615 CO 0.00 0.25 0.24 0.28 -0.25 0.00 0.00 175.52 176.04 3ibj h SER 616 N -0.99 0.00 0.59 5.36 0.02 -1.82 -1.65 113.55 115.06 3ibj h SER 616 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3ibj h SER 616 Cb 0.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.99 3ibj h SER 616 CO 0.01 0.00 -0.28 -0.03 -1.14 0.00 0.00 176.83 175.38 3ibj h MET 617 N 0.00 -0.76 -1.00 3.45 -1.53 -1.86 -2.86 114.93 110.37 3ibj h MET 617 Ca 0.12 0.05 0.38 0.00 -3.44 0.00 0.00 59.70 56.82 3ibj h MET 617 Cb 0.60 0.17 -0.17 0.00 -0.55 0.00 0.00 31.60 31.66 3ibj h MET 617 CO -0.00 -0.51 0.49 0.00 0.14 0.00 0.00 176.91 177.03 3ibj h ALA 618 N -1.57 2.01 -0.90 0.39 0.00 -1.35 1.68 119.26 119.53 3ibj h ALA 618 Ca -0.08 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3ibj h ALA 618 Cb 0.61 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3ibj h ALA 618 CO 0.13 -0.83 0.58 0.82 0.00 0.00 0.00 179.25 179.95 3ibj h ILE 619 N 0.08 1.13 -0.21 0.00 1.08 -1.33 0.82 117.51 119.07 3ibj h ILE 619 Ca 0.80 -0.38 -0.09 0.00 -0.39 0.00 0.00 64.86 64.79 3ibj h ILE 619 Cb 2.01 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 3ibj h ILE 619 CO -0.75 0.20 -0.24 -0.07 -0.69 0.00 0.00 178.15 176.61 3ibj h LEU 620 N 1.11 0.57 -0.04 1.44 3.38 0.26 -1.83 115.31 120.20 3ibj h LEU 620 Ca 0.36 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ibj h LEU 620 Cb 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ibj h LEU 620 CO -0.13 0.94 0.00 -1.20 0.09 0.00 0.00 178.44 178.15 3ibj n SER 621 N -4.40 0.06 -0.01 -0.43 7.64 -0.06 -0.80 113.62 115.62 3ibj n SER 621 Ca -0.05 0.51 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 3ibj n SER 621 Cb 0.43 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 3ibj n SER 621 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3ibj h MET 622 N 0.00 0.10 0.07 1.43 2.86 0.11 -3.12 114.93 116.38 3ibj h MET 622 Ca 0.00 -0.17 -0.29 0.00 -2.06 0.00 0.00 59.70 57.18 3ibj h MET 622 Cb 0.34 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3ibj h MET 622 CO 0.00 0.77 -1.49 -0.07 1.06 0.00 0.00 176.91 177.18 3ibj h LEU 623 N 0.03 0.23 0.29 1.22 3.38 -1.30 -3.21 115.31 115.95 3ibj h LEU 623 Ca -0.33 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 3ibj h LEU 623 Cb 2.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 3ibj h LEU 623 CO 0.09 1.28 -0.45 -0.61 0.09 0.00 0.00 178.44 178.84 3ibj h GLN 624 N 0.04 -0.75 0.00 1.13 4.15 -1.09 -1.51 115.11 117.08 3ibj h GLN 624 Ca -0.22 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3ibj h GLN 624 Cb 1.97 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.83 3ibj h GLN 624 CO 0.13 -0.50 0.00 -3.47 -1.93 0.00 0.00 178.83 173.06 3ibj n ASP 625 N -5.09 0.24 -1.43 -0.69 -0.08 -1.18 0.12 116.55 108.45 3ibj n ASP 625 Ca -0.09 0.60 0.10 0.00 -1.51 0.00 0.00 54.79 53.89 3ibj n ASP 625 Cb 0.38 -0.64 0.33 0.00 2.34 0.00 0.00 41.12 43.53 3ibj n ASP 625 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3ibj n MET 626 N -1.81 3.20 -3.59 -0.67 2.81 -0.63 -4.95 117.12 111.47 3ibj n MET 626 Ca 0.00 -2.61 -0.20 0.00 -1.81 0.00 0.00 57.70 53.08 3ibj n MET 626 Cb 0.05 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 3ibj n MET 626 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ibj n ASN 627 N 1.25 -5.60 0.00 7.83 5.15 0.33 -4.92 115.26 119.30 3ibj n ASN 627 Ca 0.24 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 3ibj n ASN 627 Cb 0.74 -2.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 3ibj n ASN 627 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3ibj n PHE 628 N -2.22 0.00 0.27 1.20 0.99 -0.84 -4.28 117.46 112.58 3ibj n PHE 628 Ca -0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.06 3ibj n PHE 628 Cb 0.65 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 39.04 3ibj n PHE 628 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3ibj h ILE 629 N 0.00 0.51 0.03 4.37 2.04 -1.84 -1.89 117.51 120.73 3ibj h ILE 629 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3ibj h ILE 629 Cb 0.95 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3ibj h ILE 629 CO 0.00 0.00 -0.39 -0.55 0.00 0.00 0.00 178.15 177.21 3ibj h ASN 630 N -0.65 0.29 -1.27 1.72 -0.00 -1.89 0.81 115.58 114.59 3ibj h ASN 630 Ca -0.06 -0.85 0.37 0.00 -0.00 0.00 0.00 56.30 55.75 3ibj h ASN 630 Cb 0.51 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.69 3ibj h ASN 630 CO 0.10 1.11 0.93 0.78 -0.00 0.00 0.00 177.43 180.35 3ibj h ASN 631 N -0.49 0.00 -0.00 6.14 4.21 -1.74 -0.69 115.58 123.00 3ibj h ASN 631 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3ibj h ASN 631 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3ibj h ASN 631 CO 0.08 0.00 -0.00 -1.22 -1.29 0.00 0.00 177.43 174.99 3ibj n TYR 632 N -4.10 0.00 -3.12 1.19 4.02 -0.71 -5.04 117.16 109.40 3ibj n TYR 632 Ca 0.27 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 58.10 3ibj n TYR 632 Cb 1.34 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.69 3ibj n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3ibj n LYS 633 N -0.24 -1.73 -3.06 -0.72 5.02 0.23 -4.93 118.16 112.73 3ibj n LYS 633 Ca 0.00 1.20 -0.41 0.00 -2.02 0.00 0.00 58.31 57.08 3ibj n LYS 633 Cb 0.00 -5.74 -0.06 0.00 -0.02 0.00 0.00 35.03 29.21 3ibj n LYS 633 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ibj s ILE 634 N -3.18 4.94 0.13 -0.18 1.01 0.15 -4.93 121.20 119.14 3ibj s ILE 634 Ca 0.21 1.20 -0.31 0.00 0.00 0.00 0.00 60.65 61.75 3ibj s ILE 634 Cb -0.03 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 3ibj s ILE 634 CO 0.73 -0.02 1.59 -0.62 0.00 0.00 0.00 174.94 176.62 3ibj s ASP 635 N 1.47 6.61 -0.00 3.58 2.15 -1.26 -4.88 116.67 124.33 3ibj s ASP 635 Ca 0.28 2.55 -0.22 0.00 0.43 0.00 0.00 52.55 55.59 3ibj s ASP 635 Cb -0.15 -2.58 -0.20 0.00 -0.30 0.00 0.00 42.92 39.69 3ibj s ASP 635 CO 0.09 -0.84 1.18 0.00 -0.17 0.00 0.00 175.17 175.43 3ibj h PRO 637 N -0.24 0.00 0.02 0.00 0.11 -1.96 0.94 132.00 130.87 3ibj h PRO 637 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3ibj h PRO 637 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3ibj h PRO 637 CO 0.05 0.00 -0.67 1.15 -0.21 0.00 0.00 178.00 178.32 3ibj h THR 638 N 0.00 1.37 -0.27 -1.15 2.02 -1.70 -3.12 112.91 110.06 3ibj h THR 638 Ca 0.62 -2.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 3ibj h THR 638 Cb 2.62 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 71.88 3ibj h THR 638 CO -0.01 0.51 0.12 0.25 0.37 0.00 0.00 175.52 176.77 3ibj h LEU 639 N -0.90 0.36 -2.12 2.58 5.85 0.79 0.96 115.31 122.82 3ibj h LEU 639 Ca -0.17 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3ibj h LEU 639 Cb 1.23 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3ibj h LEU 639 CO -0.07 0.39 -0.02 0.00 -0.34 0.00 0.00 178.44 178.40 3ibj h ALA 640 N 0.98 1.04 0.21 1.25 0.00 0.53 -0.91 119.26 122.36 3ibj h ALA 640 Ca 0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 3ibj h ALA 640 Cb 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ibj h ALA 640 CO -0.01 0.03 -1.46 0.00 0.00 0.00 0.00 179.25 177.80 3ibj h ARG 641 N 0.00 0.44 0.72 0.00 3.08 -1.18 -3.02 114.38 114.42 3ibj h ARG 641 Ca -0.00 -0.74 -0.03 0.00 0.07 0.00 0.00 59.98 59.28 3ibj h ARG 641 Cb 0.29 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3ibj h ARG 641 CO 0.00 1.35 -0.48 0.35 -1.07 0.00 0.00 179.97 180.12 3ibj h PHE 642 N 0.12 -1.28 -1.00 3.04 3.57 -0.08 -0.77 116.94 120.53 3ibj h PHE 642 Ca -0.24 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.47 3ibj h PHE 642 Cb 2.10 0.47 -0.12 0.00 2.79 0.00 0.00 35.95 41.19 3ibj h PHE 642 CO 0.10 -0.70 0.60 0.00 -2.23 0.00 0.00 178.31 176.08 3ibj h LEU 644 N 0.67 0.22 -0.17 0.00 4.07 -1.42 -2.31 115.31 116.37 3ibj h LEU 644 Ca 0.61 -0.17 -0.20 0.00 0.08 0.00 0.00 57.88 58.20 3ibj h LEU 644 Cb 1.06 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.74 3ibj h LEU 644 CO -0.43 0.95 -0.68 -0.03 -1.08 0.00 0.00 178.44 177.18 3ibj h MET 645 N 0.10 0.76 -0.07 1.13 4.05 0.63 -1.30 114.93 120.22 3ibj h MET 645 Ca -0.03 -0.59 -0.10 0.00 -0.28 0.00 0.00 59.70 58.70 3ibj h MET 645 Cb 1.44 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.34 3ibj h MET 645 CO 0.12 1.20 -0.39 -0.24 0.23 0.00 0.00 176.91 177.83 3ibj h VAL 646 N 0.48 1.30 -0.10 -5.77 3.04 -0.20 -1.56 116.25 113.44 3ibj h VAL 646 Ca -0.04 -1.44 -0.04 0.00 -1.01 0.00 0.00 66.70 64.17 3ibj h VAL 646 Cb 1.30 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 3ibj h VAL 646 CO 0.14 0.43 -0.11 0.50 -1.01 0.00 0.00 177.57 177.52 3ibj h LYS 647 N 0.13 0.24 0.00 4.17 3.64 -1.39 -2.38 116.57 120.99 3ibj h LYS 647 Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3ibj h LYS 647 Cb 0.76 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3ibj h LYS 647 CO 0.06 0.67 0.00 1.17 -2.27 0.00 0.00 179.45 179.08 3ibj n LYS 648 N -4.64 0.02 0.01 1.90 4.81 -0.50 -1.74 118.16 118.02 3ibj n LYS 648 Ca -0.07 0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 3ibj n LYS 648 Cb 0.34 -1.50 0.31 0.00 0.02 0.00 0.00 35.03 34.19 3ibj n LYS 648 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ibj n GLY 649 N -0.33 -1.31 3.84 3.14 0.00 -0.60 -4.83 105.19 105.09 3ibj n GLY 649 Ca 0.03 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3ibj n GLY 649 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ibj s TYR 650 N -3.02 3.44 0.00 1.61 1.51 -0.71 -0.61 117.35 119.58 3ibj s TYR 650 Ca 0.11 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.41 3ibj s TYR 650 Cb 0.17 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3ibj s TYR 650 CO 0.67 0.16 0.00 0.54 -1.11 0.00 0.00 175.55 175.81 3ibj n ARG 651 N -0.08 3.19 -2.67 -0.62 1.74 -1.25 -4.85 116.66 112.11 3ibj n ARG 651 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 3ibj n ARG 651 Cb 0.53 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.98 3ibj n ARG 651 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ibj n ASP 652 N 0.00 2.13 -4.25 0.55 4.64 -1.26 -4.45 116.55 113.91 3ibj n ASP 652 Ca 0.00 -2.96 -0.28 0.00 -1.38 0.00 0.00 54.79 50.18 3ibj n ASP 652 Cb 0.00 -0.52 0.17 0.00 -1.04 0.00 0.00 41.12 39.73 3ibj n ASP 652 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ibj s PRO 653 N -3.16 0.86 0.12 -0.67 0.04 -1.25 -4.93 135.00 126.00 3ibj s PRO 653 Ca 0.33 -0.76 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 3ibj s PRO 653 Cb 0.44 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.89 3ibj s PRO 653 CO -0.02 -2.16 1.62 -1.35 0.04 0.00 0.00 177.00 175.13 3ibj h PRO 654 N -1.30 -0.46 0.00 0.56 0.11 -1.93 -3.39 132.00 125.60 3ibj h PRO 654 Ca -0.41 0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.32 3ibj h PRO 654 Cb 1.24 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.39 3ibj h PRO 654 CO 0.35 -0.30 -2.31 0.98 -0.21 0.00 0.00 178.00 176.51 3ibj n TYR 655 N -5.40 0.21 -1.62 0.65 9.36 -1.25 -4.68 117.16 114.43 3ibj n TYR 655 Ca -0.06 0.08 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 3ibj n TYR 655 Cb 0.31 -1.02 -0.01 0.00 -0.63 0.00 0.00 39.34 37.99 3ibj n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3ibj n HIS 656 N -4.14 3.22 -4.48 2.98 8.25 -1.26 -4.49 115.22 115.31 3ibj n HIS 656 Ca -0.49 -3.01 -0.23 0.00 -0.26 0.00 0.00 57.72 53.73 3ibj n HIS 656 Cb 0.87 -2.53 -0.11 0.00 1.12 0.00 0.00 29.99 29.34 3ibj n HIS 656 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ibj s ASN 657 N 2.88 2.90 0.48 0.41 4.22 -1.26 -3.96 114.94 120.61 3ibj s ASN 657 Ca 0.53 -1.28 0.30 0.00 -2.14 0.00 0.00 52.86 50.27 3ibj s ASN 657 Cb 0.15 -0.19 1.38 0.00 1.28 0.00 0.00 41.25 43.87 3ibj s ASN 657 CO -0.08 -0.44 1.78 -0.25 -2.04 0.00 0.00 177.10 176.07 3ibj h TRP 658 N 2.12 0.27 0.00 1.54 2.91 -1.89 0.69 115.95 121.59 3ibj h TRP 658 Ca -0.41 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.58 3ibj h TRP 658 Cb 1.24 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.81 3ibj h TRP 658 CO 0.66 0.01 -0.19 1.98 -1.03 0.00 0.00 178.44 179.87 3ibj h MET 659 N 0.15 0.00 0.01 2.65 4.05 -1.95 0.34 114.93 120.17 3ibj h MET 659 Ca 0.59 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.75 3ibj h MET 659 Cb 2.01 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.83 3ibj h MET 659 CO -0.13 0.19 -1.04 1.25 0.23 0.00 0.00 176.91 177.40 3ibj h HIS 660 N 0.00 0.94 -0.77 1.39 -0.00 0.18 -2.44 115.15 114.45 3ibj h HIS 660 Ca -0.00 -0.52 -0.05 0.00 -0.00 0.00 0.00 60.37 59.80 3ibj h HIS 660 Cb 0.43 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.70 3ibj h HIS 660 CO 0.00 1.35 0.29 0.00 -0.00 0.00 0.00 177.93 179.58 3ibj h ALA 661 N 0.47 1.07 0.61 5.26 0.00 -1.03 -0.91 119.26 124.72 3ibj h ALA 661 Ca -0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3ibj h ALA 661 Cb 1.69 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.19 3ibj h ALA 661 CO 0.20 0.65 -0.29 0.35 0.00 0.00 0.00 179.25 180.16 3ibj h PHE 662 N 1.12 -0.76 0.00 0.00 3.57 -0.94 -1.26 116.94 118.67 3ibj h PHE 662 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3ibj h PHE 662 Cb 0.23 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3ibj h PHE 662 CO 0.02 -0.44 0.23 0.66 -2.23 0.00 0.00 178.31 176.55 3ibj h SER 663 N -1.16 0.00 0.24 0.41 4.64 -1.39 0.29 113.55 116.58 3ibj h SER 663 Ca -0.08 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.89 3ibj h SER 663 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3ibj h SER 663 CO 0.14 0.00 -1.70 0.58 -0.87 0.00 0.00 176.83 174.98 3ibj h VAL 664 N 0.00 1.00 -0.37 0.95 2.07 -0.94 -3.21 116.25 115.75 3ibj h VAL 664 Ca 0.00 -2.57 -0.16 0.00 0.82 0.00 0.00 66.70 64.78 3ibj h VAL 664 Cb 0.45 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3ibj h VAL 664 CO 0.00 0.85 -0.41 0.28 0.02 0.00 0.00 177.57 178.31 3ibj h SER 665 N 0.11 1.00 -0.27 0.57 0.02 0.36 -2.81 113.55 112.53 3ibj h SER 665 Ca -0.32 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.13 3ibj h SER 665 Cb 2.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.34 3ibj h SER 665 CO 0.19 1.27 0.13 -0.74 -1.14 0.00 0.00 176.83 176.53 3ibj h HIS 666 N 0.74 0.43 -0.02 3.45 6.17 -0.69 0.26 115.15 125.50 3ibj h HIS 666 Ca 0.05 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 3ibj h HIS 666 Cb 1.01 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.80 3ibj h HIS 666 CO 0.07 0.34 0.01 0.35 0.71 0.00 0.00 177.93 179.41 3ibj h PHE 667 N 0.44 0.03 -0.19 5.26 3.57 -1.52 -0.39 116.94 124.14 3ibj h PHE 667 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3ibj h PHE 667 Cb 0.09 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 3ibj h PHE 667 CO 0.00 0.22 -0.52 0.00 -2.23 0.00 0.00 178.31 175.78 3ibj h TYR 669 N -0.53 -0.06 0.79 0.00 3.20 -0.74 0.45 116.97 120.08 3ibj h TYR 669 Ca 0.05 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3ibj h TYR 669 Cb 0.66 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 3ibj h TYR 669 CO -0.59 -0.39 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.03 3ibj h LEU 670 N 0.04 -1.11 -0.88 2.82 3.38 0.13 -2.48 115.31 117.20 3ibj h LEU 670 Ca 0.55 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.82 3ibj h LEU 670 Cb 1.10 0.31 -0.14 0.00 0.09 0.00 0.00 40.66 42.02 3ibj h LEU 670 CO -0.87 -0.71 0.24 -0.07 0.09 0.00 0.00 178.44 177.11 3ibj h LEU 671 N -1.15 -0.01 0.00 1.67 3.38 0.17 0.14 115.31 119.51 3ibj h LEU 671 Ca -0.10 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ibj h LEU 671 Cb 0.91 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ibj h LEU 671 CO 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.49 3ibj n TYR 672 N -5.23 0.00 0.00 1.13 9.36 -0.39 -0.44 117.16 121.59 3ibj n TYR 672 Ca 0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.44 3ibj n TYR 672 Cb 0.70 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.95 3ibj n TYR 672 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3ibj n LYS 673 N -2.25 0.00 -0.18 2.98 4.76 -0.87 0.01 118.16 122.62 3ibj n LYS 673 Ca 0.00 0.42 -0.07 0.00 -2.87 0.00 0.00 58.31 55.79 3ibj n LYS 673 Cb 0.00 -1.10 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 3ibj n LYS 673 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3ibj h ASN 674 N 0.00 -1.25 -0.21 4.39 2.35 -1.06 -0.07 115.58 119.73 3ibj h ASN 674 Ca 0.00 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3ibj h ASN 674 Cb 0.00 0.59 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3ibj h ASN 674 CO 0.00 -0.32 0.00 0.18 -1.65 0.00 0.00 177.43 175.64 3ibj n LEU 675 N -5.42 1.33 -3.74 1.61 4.77 0.41 -4.95 117.00 111.02 3ibj n LEU 675 Ca 0.03 -0.63 -0.25 0.00 -0.03 0.00 0.00 56.01 55.13 3ibj n LEU 675 Cb 0.35 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3ibj n LEU 675 CO 0.02 0.32 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.61 3ibj n GLU 676 N 0.18 -1.35 0.29 3.23 1.02 0.10 -4.83 120.64 119.28 3ibj n GLU 676 Ca 0.11 0.75 0.19 0.00 -0.02 0.00 0.00 57.16 58.19 3ibj n GLU 676 Cb 0.23 -2.81 0.83 0.00 -0.02 0.00 0.00 31.44 29.67 3ibj n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ibj h LEU 677 N -0.55 0.00 -1.97 -4.62 3.38 -1.55 -2.82 115.31 107.18 3ibj h LEU 677 Ca -0.57 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.47 3ibj h LEU 677 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3ibj h LEU 677 CO 0.38 0.00 0.41 0.71 0.09 0.00 0.00 178.44 180.03 3ibj h THR 678 N 0.00 0.24 0.00 0.22 1.35 -1.85 0.27 112.91 113.14 3ibj h THR 678 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.69 3ibj h THR 678 Cb 0.35 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 3ibj h THR 678 CO 0.00 0.00 -0.83 0.78 -0.25 0.00 0.00 175.52 175.22 3ibj h ASN 679 N 0.00 0.00 0.06 5.36 2.35 -1.84 -3.38 115.58 118.12 3ibj h ASN 679 Ca 0.12 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.50 3ibj h ASN 679 Cb 0.94 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.25 3ibj h ASN 679 CO -0.00 0.83 -2.33 -1.22 -1.65 0.00 0.00 177.43 173.06 3ibj n TYR 680 N -3.34 0.22 -4.32 1.19 4.02 -0.03 -5.01 117.16 109.90 3ibj n TYR 680 Ca 0.01 0.06 -0.20 0.00 -0.01 0.00 0.00 57.90 57.75 3ibj n TYR 680 Cb 0.86 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.04 3ibj n TYR 680 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ibj s LEU 681 N -6.17 2.47 0.83 7.72 1.43 -0.54 -4.83 118.68 119.59 3ibj s LEU 681 Ca -0.22 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 3ibj s LEU 681 Cb 0.08 -0.74 0.09 0.00 0.03 0.00 0.00 46.19 45.65 3ibj s LEU 681 CO 0.72 -0.09 1.10 -1.61 0.23 0.00 0.00 176.35 176.70 3ibj s GLU 682 N -3.03 1.76 0.20 1.70 2.02 -1.26 -4.54 118.70 115.55 3ibj s GLU 682 Ca 0.17 1.14 -0.10 0.00 0.02 0.00 0.00 54.97 56.20 3ibj s GLU 682 Cb -0.04 -1.84 0.13 0.00 0.10 0.00 0.00 34.13 32.48 3ibj s GLU 682 CO 0.06 -1.99 1.78 -0.44 0.02 0.00 0.00 175.26 174.70 3ibj h ASP 683 N -1.38 0.96 0.01 -0.19 3.45 -1.96 -1.43 116.42 115.88 3ibj h ASP 683 Ca -0.45 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 56.86 3ibj h ASP 683 Cb 1.25 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 3ibj h ASP 683 CO 0.51 0.84 0.00 -0.29 -1.57 0.00 0.00 179.24 178.72 3ibj h ILE 684 N 1.02 0.00 0.00 0.35 2.10 -2.00 -2.20 117.51 116.78 3ibj h ILE 684 Ca 0.25 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.17 3ibj h ILE 684 Cb 0.14 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 36.68 3ibj h ILE 684 CO -0.03 0.00 -0.10 -0.33 -1.08 0.00 0.00 178.15 176.61 3ibj h GLU 685 N 0.00 0.00 0.00 2.19 5.08 -1.61 -2.91 114.58 117.33 3ibj h GLU 685 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ibj h GLU 685 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ibj h GLU 685 CO 0.00 0.45 0.44 0.82 -1.00 0.00 0.00 179.01 179.72 3ibj h ILE 686 N -1.00 0.00 0.06 3.13 2.04 -1.30 0.45 117.51 120.88 3ibj h ILE 686 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3ibj h ILE 686 Cb 0.50 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3ibj h ILE 686 CO -0.01 0.00 -0.03 0.15 0.00 0.00 0.00 178.15 178.26 3ibj h PHE 687 N 0.00 -0.08 -0.98 1.37 -0.00 -1.47 -3.08 116.94 112.71 3ibj h PHE 687 Ca 0.00 -0.00 0.08 0.00 -0.00 0.00 0.00 57.97 58.04 3ibj h PHE 687 Cb 0.88 0.03 -0.07 0.00 -0.00 0.00 0.00 35.95 36.78 3ibj h PHE 687 CO 0.00 -0.03 0.62 0.00 -0.00 0.00 0.00 178.31 178.90 3ibj h ALA 688 N -1.00 1.38 -0.47 2.41 0.00 -0.67 0.38 119.26 121.30 3ibj h ALA 688 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ibj h ALA 688 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ibj h ALA 688 CO 0.01 0.37 0.23 1.25 0.00 0.00 0.00 179.25 181.11 3ibj h LEU 689 N 1.10 0.33 -0.20 0.00 5.85 -0.37 0.23 115.31 122.25 3ibj h LEU 689 Ca 0.44 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 59.05 3ibj h LEU 689 Cb 0.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3ibj h LEU 689 CO -0.19 0.23 -0.38 0.15 -0.34 0.00 0.00 178.44 177.90 3ibj h PHE 690 N 0.46 0.78 -0.46 1.25 3.57 -1.05 -1.75 116.94 119.74 3ibj h PHE 690 Ca 0.20 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3ibj h PHE 690 Cb 0.12 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3ibj h PHE 690 CO -0.10 1.03 0.28 0.82 -2.23 0.00 0.00 178.31 178.11 3ibj h ILE 691 N 0.30 1.13 -0.42 1.41 1.08 -0.08 -1.49 117.51 119.45 3ibj h ILE 691 Ca 0.01 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 3ibj h ILE 691 Cb 0.98 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 3ibj h ILE 691 CO 0.09 0.13 0.05 0.28 -0.69 0.00 0.00 178.15 178.01 3ibj h SER 692 N 0.63 0.69 -0.99 1.72 0.02 -0.24 -2.37 113.55 113.01 3ibj h SER 692 Ca 0.17 -0.28 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3ibj h SER 692 Cb -0.03 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.25 3ibj h SER 692 CO -0.03 0.79 0.64 0.00 -1.14 0.00 0.00 176.83 177.08 3ibj h MET 694 N 1.12 0.47 0.00 0.00 2.07 -0.90 -3.33 114.93 114.36 3ibj h MET 694 Ca 0.44 -0.08 -0.03 0.00 -2.07 0.00 0.00 59.70 57.96 3ibj h MET 694 Cb 0.24 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 3ibj h MET 694 CO -0.19 0.46 -1.64 0.00 1.07 0.00 0.00 176.91 176.61 3ibj n HIS 696 N -2.03 0.00 -1.63 0.00 1.44 0.19 -1.09 115.22 112.10 3ibj n HIS 696 Ca -0.05 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.70 3ibj n HIS 696 Cb 0.42 -0.35 0.19 0.00 0.12 0.00 0.00 29.99 30.37 3ibj n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3ibj n ASP 697 N -3.42 2.00 -4.68 4.39 8.00 -1.26 -4.75 116.55 116.82 3ibj n ASP 697 Ca 0.32 -3.89 -0.38 0.00 0.71 0.00 0.00 54.79 51.54 3ibj n ASP 697 Cb 1.63 -0.51 0.05 0.00 -0.02 0.00 0.00 41.12 42.26 3ibj n ASP 697 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ibj n LEU 698 N -1.08 4.64 -2.19 0.64 4.77 -0.25 -2.66 117.00 120.87 3ibj n LEU 698 Ca 0.21 0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 56.98 3ibj n LEU 698 Cb 0.72 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3ibj n LEU 698 CO 0.00 -1.15 -0.16 -0.67 -1.33 0.00 0.00 177.39 174.08 3ibj n ASP 699 N -0.84 -3.95 -4.79 -1.43 2.03 0.22 -4.54 116.55 103.25 3ibj n ASP 699 Ca 0.12 0.21 -0.34 0.00 0.52 0.00 0.00 54.79 55.30 3ibj n ASP 699 Cb 0.45 -3.42 -0.00 0.00 -0.72 0.00 0.00 41.12 37.43 3ibj n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3ibj s HIS 700 N -2.53 2.89 0.00 -0.67 2.46 -1.09 -4.88 115.29 111.48 3ibj s HIS 700 Ca 0.00 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.07 3ibj s HIS 700 Cb 0.00 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 3ibj s HIS 700 CO 0.00 -1.16 0.24 0.54 -2.47 0.00 0.00 174.74 171.89 3ibj n ARG 701 N -1.57 0.74 0.00 2.88 1.74 -1.26 -3.97 116.66 115.22 3ibj n ARG 701 Ca 0.10 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3ibj n ARG 701 Cb 0.52 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 3ibj n ARG 701 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibj n GLY 702 N 0.17 2.40 3.76 -0.13 0.00 -1.26 -4.61 105.19 105.52 3ibj n GLY 702 Ca 0.00 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 3ibj n GLY 702 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ibj s THR 703 N -0.91 2.73 -0.28 2.61 2.01 -1.26 -5.10 115.64 115.44 3ibj s THR 703 Ca 0.00 -1.63 -0.27 0.00 0.31 0.00 0.00 61.69 60.10 3ibj s THR 703 Cb 0.00 -2.99 0.18 0.00 0.01 0.00 0.00 72.50 69.70 3ibj s THR 703 CO 0.00 -0.09 1.36 0.54 -0.69 0.00 0.00 174.62 175.74 3ibj s ASN 704 N -3.92 -0.09 0.00 3.53 4.22 -1.26 -3.46 114.94 113.96 3ibj s ASN 704 Ca 0.41 0.14 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 3ibj s ASN 704 Cb -0.01 0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.66 3ibj s ASN 704 CO 0.24 -0.05 0.00 0.29 -2.04 0.00 0.00 177.10 175.53 3ibj n LYS 712 N 1.15 -0.93 -4.16 3.55 4.76 -1.26 -4.91 118.16 116.36 3ibj n LYS 712 Ca -0.06 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 3ibj n LYS 712 Cb 0.58 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.69 3ibj n LYS 712 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3ibj s SER 713 N -2.68 0.45 -0.02 4.39 0.01 -1.26 -5.17 113.70 109.43 3ibj s SER 713 Ca 0.00 -1.38 0.04 0.00 1.31 0.00 0.00 55.95 55.92 3ibj s SER 713 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 3ibj s SER 713 CO 0.00 -0.99 -0.14 -0.69 0.41 0.00 0.00 173.24 171.83 3ibj s VAL 714 N -3.89 1.13 0.37 3.43 1.01 -1.26 -5.00 120.40 116.19 3ibj s VAL 714 Ca 0.35 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.84 3ibj s VAL 714 Cb 0.04 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 35.58 3ibj s VAL 714 CO 0.15 0.32 1.84 0.25 0.00 0.00 0.00 175.10 177.66 3ibj h LEU 715 N 5.89 0.11 -2.32 3.92 5.85 -1.98 -2.81 115.31 123.98 3ibj h LEU 715 Ca -0.34 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3ibj h LEU 715 Cb 1.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3ibj h LEU 715 CO 0.49 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 3ibj n ALA 716 N -2.48 2.62 0.00 1.25 0.00 -1.26 -1.11 120.51 119.52 3ibj n ALA 716 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ibj n ALA 716 Cb 0.37 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3ibj n ALA 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibj n ALA 717 N 0.86 2.00 -1.73 0.00 0.00 -1.06 -3.83 120.51 116.75 3ibj n ALA 717 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ibj n ALA 717 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3ibj n ALA 717 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ibj n LEU 718 N -1.06 0.00 -3.33 0.00 7.94 -0.27 -4.42 117.00 115.87 3ibj n LEU 718 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3ibj n LEU 718 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3ibj n LEU 718 CO 0.00 0.00 0.79 0.00 -1.11 0.00 0.00 177.39 177.07 3ibj n TYR 719 N -0.36 0.00 0.00 1.96 -0.00 -1.15 -3.88 117.16 113.73 3ibj n TYR 719 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.90 57.58 3ibj n TYR 719 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 39.34 38.82 3ibj n TYR 719 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3ibj n SER 720 N 5.00 0.00 -4.97 2.98 3.41 -1.26 -4.57 113.62 114.20 3ibj n SER 720 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 3ibj n SER 720 Cb 0.11 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3ibj n SER 720 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ibj s SER 721 N -4.00 4.93 0.00 4.04 1.04 -1.25 -1.85 113.70 116.61 3ibj s SER 721 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3ibj s SER 721 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3ibj s SER 721 CO 0.00 -1.18 0.00 -0.62 0.98 0.00 0.00 173.24 172.42 3ibj n GLU 722 N -1.99 0.00 0.00 4.02 4.71 -1.26 -4.61 120.64 121.50 3ibj n GLU 722 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3ibj n GLU 722 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.06 3ibj n GLU 722 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ibj n GLY 723 N -1.43 -0.22 4.61 0.62 0.00 -1.26 -4.76 105.19 102.75 3ibj n GLY 723 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ibj n GLY 723 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ibj n SER 724 N 0.00 0.00 -0.33 1.61 7.64 -1.26 -4.80 113.62 116.48 3ibj n SER 724 Ca 0.00 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.12 3ibj n SER 724 Cb 0.00 -1.02 0.47 0.00 -1.01 0.00 0.00 64.21 62.65 3ibj n SER 724 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ibj h VAL 725 N 0.00 0.12 0.21 0.44 2.07 -1.99 0.12 116.25 117.22 3ibj h VAL 725 Ca 0.00 -0.04 -0.33 0.00 0.82 0.00 0.00 66.70 67.15 3ibj h VAL 725 Cb 0.00 -0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.79 3ibj h VAL 725 CO 0.00 0.02 -1.53 -0.03 0.02 0.00 0.00 177.57 176.05 3ibj h MET 726 N 0.11 0.44 -0.83 1.57 -1.53 -1.93 -3.03 114.93 109.74 3ibj h MET 726 Ca 0.74 -0.75 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 3ibj h MET 726 Cb 1.78 0.28 -0.05 0.00 -0.55 0.00 0.00 31.60 33.06 3ibj h MET 726 CO -0.74 1.35 0.53 0.93 0.14 0.00 0.00 176.91 179.12 3ibj h GLU 727 N 0.12 1.01 -0.04 0.39 3.07 -1.20 0.25 114.58 118.19 3ibj h GLU 727 Ca -0.26 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3ibj h GLU 727 Cb 2.11 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 29.79 3ibj h GLU 727 CO 0.23 0.67 0.01 0.00 -1.40 0.00 0.00 179.01 178.52 3ibj h ARG 728 N 1.04 0.05 0.44 2.33 3.08 -1.05 -1.93 114.38 118.34 3ibj h ARG 728 Ca 0.33 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 3ibj h ARG 728 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ibj h ARG 728 CO -0.11 0.04 -0.21 1.25 -1.07 0.00 0.00 179.97 179.87 3ibj h HIS 729 N 0.05 -0.55 -0.59 3.04 2.76 -0.39 -1.04 115.15 118.44 3ibj h HIS 729 Ca 0.01 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 3ibj h HIS 729 Cb 0.01 0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.05 3ibj h HIS 729 CO 0.00 -0.23 -0.06 0.45 -1.30 0.00 0.00 177.93 176.79 3ibj h HIS 730 N -1.02 -0.15 -0.23 5.26 3.86 -1.21 0.59 115.15 122.26 3ibj h HIS 730 Ca -0.06 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3ibj h HIS 730 Cb 0.56 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 3ibj h HIS 730 CO 0.02 -0.19 0.04 0.35 0.86 0.00 0.00 177.93 179.00 3ibj h PHE 731 N 0.07 0.06 -0.63 2.45 3.57 -1.39 -0.59 116.94 120.47 3ibj h PHE 731 Ca 0.30 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.83 3ibj h PHE 731 Cb 0.47 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3ibj h PHE 731 CO -0.40 0.01 0.42 0.00 -2.23 0.00 0.00 178.31 176.10 3ibj h ALA 732 N 1.17 1.60 -0.24 2.41 0.00 0.40 -2.04 119.26 122.56 3ibj h ALA 732 Ca 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3ibj h ALA 732 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ibj h ALA 732 CO -0.15 0.35 -0.20 1.96 0.00 0.00 0.00 179.25 181.22 3ibj h GLN 733 N 0.80 0.55 -0.82 0.00 1.08 0.73 -2.35 115.11 115.10 3ibj h GLN 733 Ca 0.24 -0.28 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3ibj h GLN 733 Cb -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 3ibj h GLN 733 CO -0.06 0.86 0.54 0.00 -0.95 0.00 0.00 178.83 179.21 3ibj h ALA 734 N 0.68 1.65 -0.35 3.87 0.00 -0.83 -1.13 119.26 123.15 3ibj h ALA 734 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ibj h ALA 734 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ibj h ALA 734 CO 0.05 0.21 0.10 0.82 0.00 0.00 0.00 179.25 180.42 3ibj h ILE 735 N 0.85 1.21 -0.29 0.00 1.08 -1.24 -0.85 117.51 118.27 3ibj h ILE 735 Ca 0.37 -0.71 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 3ibj h ILE 735 Cb 0.31 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3ibj h ILE 735 CO -0.14 0.24 0.22 0.00 -0.69 0.00 0.00 178.15 177.79 3ibj h ALA 736 N 0.94 2.22 -0.07 1.87 0.00 -0.66 0.33 119.26 123.90 3ibj h ALA 736 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ibj h ALA 736 Cb 0.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ibj h ALA 736 CO -0.00 -0.37 -0.44 0.82 0.00 0.00 0.00 179.25 179.25 3ibj h ILE 737 N 0.00 1.41 -0.07 0.00 2.04 -0.81 -1.90 117.51 118.18 3ibj h ILE 737 Ca 0.14 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 3ibj h ILE 737 Cb 0.58 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3ibj h ILE 737 CO -0.00 0.54 -0.07 -0.07 0.00 0.00 0.00 178.15 178.54 3ibj h LEU 738 N -0.06 0.09 -0.28 1.44 3.38 0.05 0.11 115.31 120.04 3ibj h LEU 738 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ibj h LEU 738 Cb 1.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ibj h LEU 738 CO 0.09 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.39 3ibj n ASN 739 N -4.39 0.42 -4.83 -0.43 3.02 0.11 -3.42 115.26 105.73 3ibj n ASN 739 Ca -0.02 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.58 3ibj n ASN 739 Cb 0.18 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 3ibj n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ibj s THR 740 N -1.94 4.97 -0.13 3.41 2.01 0.38 -5.02 115.64 119.32 3ibj s THR 740 Ca 0.25 0.89 -0.40 0.00 0.31 0.00 0.00 61.69 62.74 3ibj s THR 740 Cb 0.12 -3.74 -0.18 0.00 0.01 0.00 0.00 72.50 68.71 3ibj s THR 740 CO 0.20 0.56 1.42 1.57 -0.69 0.00 0.00 174.62 177.67 3ibj n HIS 741 N 1.74 1.46 -2.00 4.92 -0.00 -1.26 -2.01 115.22 118.07 3ibj n HIS 741 Ca -0.13 0.82 -0.17 0.00 0.46 0.00 0.00 57.72 58.70 3ibj n HIS 741 Cb 0.52 -2.28 -0.03 0.00 -0.12 0.00 0.00 29.99 28.08 3ibj n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ibj n GLY 742 N 2.93 0.44 0.00 1.57 0.00 -1.26 -4.82 105.19 104.05 3ibj n GLY 742 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ibj n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj s ASN 744 N -2.58 4.87 0.01 0.00 2.47 -1.22 -4.57 114.94 113.93 3ibj s ASN 744 Ca -0.00 0.58 0.27 0.00 0.42 0.00 0.00 52.86 54.13 3ibj s ASN 744 Cb 0.00 -2.52 1.16 0.00 -1.45 0.00 0.00 41.25 38.44 3ibj s ASN 744 CO 0.04 -2.66 1.88 2.30 -3.72 0.00 0.00 177.10 174.94 3ibj n ILE 745 N 7.61 0.13 -1.26 -5.21 -5.35 -1.26 -3.05 119.36 110.97 3ibj n ILE 745 Ca 0.29 0.02 -0.31 0.00 -0.27 0.00 0.00 62.75 62.47 3ibj n ILE 745 Cb 0.53 -0.56 0.09 0.00 -1.74 0.00 0.00 39.64 37.96 3ibj n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3ibj n PHE 746 N -1.53 3.06 0.26 4.28 3.72 -1.26 -4.68 117.46 121.31 3ibj n PHE 746 Ca 0.07 -2.72 -0.16 0.00 -0.05 0.00 0.00 57.45 54.59 3ibj n PHE 746 Cb 0.33 -1.32 -0.08 0.00 -0.94 0.00 0.00 39.48 37.47 3ibj n PHE 746 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3ibj h ASP 747 N 1.76 -0.72 0.07 4.37 1.82 -1.94 -3.32 116.42 118.46 3ibj h ASP 747 Ca 0.59 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 3ibj h ASP 747 Cb 1.20 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.43 3ibj h ASP 747 CO 1.44 -0.45 -0.10 0.00 -1.61 0.00 0.00 179.24 178.52 3ibj n HIS 748 N -5.42 0.00 -1.69 0.28 1.44 -1.26 -4.95 115.22 103.62 3ibj n HIS 748 Ca -0.11 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.17 3ibj n HIS 748 Cb 0.32 -0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.37 3ibj n HIS 748 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3ibj n PHE 749 N -0.06 2.32 -1.73 -1.40 3.01 -1.25 -4.91 117.46 113.43 3ibj n PHE 749 Ca 0.16 0.47 -0.38 0.00 1.01 0.00 0.00 57.45 58.72 3ibj n PHE 749 Cb 0.37 -2.45 0.06 0.00 -0.01 0.00 0.00 39.48 37.44 3ibj n PHE 749 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ibj n SER 750 N 1.44 2.28 -0.47 4.37 3.41 -1.26 -4.48 113.62 118.91 3ibj n SER 750 Ca 0.08 0.88 0.39 0.00 -0.26 0.00 0.00 58.87 59.95 3ibj n SER 750 Cb 0.34 -1.56 0.69 0.00 -0.26 0.00 0.00 64.21 63.42 3ibj n SER 750 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ibj h ARG 751 N 0.83 0.08 0.54 4.33 3.08 -1.98 0.21 114.38 121.47 3ibj h ARG 751 Ca -0.51 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3ibj h ARG 751 Cb 1.33 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3ibj h ARG 751 CO 0.54 0.05 -0.40 -0.22 -1.07 0.00 0.00 179.97 178.88 3ibj h LYS 752 N 0.09 -0.87 0.28 0.04 1.63 -2.00 -0.38 116.57 115.36 3ibj h LYS 752 Ca 0.78 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.63 3ibj h LYS 752 Cb 2.68 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 34.49 3ibj h LYS 752 CO -0.24 -0.58 -0.34 -0.44 -3.45 0.00 0.00 179.45 174.40 3ibj h ASP 753 N -0.90 -0.96 -0.99 4.20 3.32 -0.95 -2.60 116.42 117.53 3ibj h ASP 753 Ca -0.07 0.08 0.18 0.00 0.02 0.00 0.00 57.03 57.25 3ibj h ASP 753 Cb 0.74 0.33 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 3ibj h ASP 753 CO 0.03 -0.43 -0.29 0.00 -1.72 0.00 0.00 179.24 176.82 3ibj n TYR 754 N -4.44 0.25 0.09 4.55 9.36 -0.57 0.62 117.16 127.02 3ibj n TYR 754 Ca -0.07 1.21 -0.04 0.00 3.32 0.00 0.00 57.90 62.32 3ibj n TYR 754 Cb 0.30 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 37.98 3ibj n TYR 754 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3ibj h GLN 755 N 0.00 -0.24 -1.16 2.98 -0.00 -0.91 -1.67 115.11 114.11 3ibj h GLN 755 Ca 0.43 0.02 0.34 0.00 -0.00 0.00 0.00 58.65 59.44 3ibj h GLN 755 Cb 0.68 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.17 3ibj h GLN 755 CO -1.01 -0.16 0.94 -0.09 0.00 0.00 0.00 178.83 178.51 3ibj h ARG 756 N -0.25 0.00 0.00 1.69 2.43 -0.73 2.64 114.38 120.16 3ibj h ARG 756 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3ibj h ARG 756 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3ibj h ARG 756 CO 0.01 0.00 -0.09 1.98 -1.51 0.00 0.00 179.97 180.37 3ibj h MET 757 N 0.00 0.00 0.13 0.20 4.05 0.11 -0.29 114.93 119.14 3ibj h MET 757 Ca 0.55 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.61 3ibj h MET 757 Cb 2.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.20 3ibj h MET 757 CO -0.01 0.09 -1.91 -0.07 0.23 0.00 0.00 176.91 175.24 3ibj h LEU 758 N 0.00 0.44 0.11 3.39 4.07 0.52 -3.15 115.31 120.69 3ibj h LEU 758 Ca -0.00 -0.88 -0.01 0.00 0.08 0.00 0.00 57.88 57.07 3ibj h LEU 758 Cb 0.50 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3ibj h LEU 758 CO 0.01 1.78 -0.05 0.44 -1.08 0.00 0.00 178.44 179.54 3ibj h ASP 759 N 0.08 -0.13 -0.72 -0.43 3.32 -1.17 0.40 116.42 117.78 3ibj h ASP 759 Ca -0.39 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 56.44 3ibj h ASP 759 Cb 2.05 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 41.52 3ibj h ASP 759 CO 0.11 0.26 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.35 3ibj h LEU 760 N -0.54 -1.66 -0.49 1.55 3.38 -1.22 0.53 115.31 116.86 3ibj h LEU 760 Ca -0.02 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3ibj h LEU 760 Cb 0.43 0.76 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3ibj h LEU 760 CO 0.02 -0.31 0.22 0.24 0.09 0.00 0.00 178.44 178.71 3ibj h MET 761 N -0.16 0.71 -0.70 1.13 2.86 -1.54 0.16 114.93 117.39 3ibj h MET 761 Ca 0.19 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3ibj h MET 761 Cb 0.54 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 3ibj h MET 761 CO -0.78 0.61 0.43 -0.09 1.06 0.00 0.00 176.91 178.14 3ibj h ARG 762 N 0.65 0.81 0.59 1.72 2.43 0.15 -1.88 114.38 118.84 3ibj h ARG 762 Ca 0.17 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3ibj h ARG 762 Cb 0.14 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3ibj h ARG 762 CO -0.02 0.54 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.26 3ibj h ASP 763 N 0.84 -0.67 -0.60 -3.80 3.32 0.33 -2.56 116.42 113.28 3ibj h ASP 763 Ca 0.29 -0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.43 3ibj h ASP 763 Cb 0.05 0.17 -0.10 0.00 0.22 0.00 0.00 39.33 39.68 3ibj h ASP 763 CO -0.12 -0.30 0.03 0.40 -1.72 0.00 0.00 179.24 177.53 3ibj h ILE 764 N -1.09 0.53 -0.55 0.35 2.04 -0.92 0.56 117.51 118.44 3ibj h ILE 764 Ca -0.08 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3ibj h ILE 764 Cb 0.66 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ibj h ILE 764 CO 0.13 0.03 0.00 0.40 0.00 0.00 0.00 178.15 178.71 3ibj h ILE 765 N 0.15 1.26 0.00 -0.67 2.04 -1.41 -0.95 117.51 117.93 3ibj h ILE 765 Ca 0.32 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3ibj h ILE 765 Cb 0.51 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3ibj h ILE 765 CO -0.49 0.40 0.00 0.18 0.00 0.00 0.00 178.15 178.24 3ibj n LEU 766 N -4.26 0.10 0.16 1.44 7.99 -0.87 -1.59 117.00 119.97 3ibj n LEU 766 Ca 0.02 0.52 0.03 0.00 -0.01 0.00 0.00 56.01 56.57 3ibj n LEU 766 Cb 0.33 -0.50 0.17 0.00 -0.11 0.00 0.00 43.42 43.31 3ibj n LEU 766 CO 0.43 -0.18 0.54 0.00 -1.51 0.00 0.00 177.39 176.68 3ibj h ALA 767 N 2.67 0.80 0.00 -1.18 0.00 0.15 -3.16 119.26 118.54 3ibj h ALA 767 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ibj h ALA 767 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ibj h ALA 767 CO 0.00 0.61 0.00 0.25 0.00 0.00 0.00 179.25 180.11 3ibj n THR 768 N -3.40 0.00 -3.35 0.00 -2.24 -0.62 -4.41 114.28 100.26 3ibj n THR 768 Ca 0.01 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 3ibj n THR 768 Cb 0.64 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3ibj n THR 768 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ibj s ASP 769 N -0.87 6.16 0.37 3.42 3.68 -1.20 -4.56 116.67 123.67 3ibj s ASP 769 Ca 0.00 -1.20 0.18 0.00 2.13 0.00 0.00 52.55 53.66 3ibj s ASP 769 Cb 0.00 -2.20 1.15 0.00 -1.45 0.00 0.00 42.92 40.42 3ibj s ASP 769 CO 0.00 -0.68 1.68 0.25 0.13 0.00 0.00 175.17 176.54 3ibj h LEU 770 N 8.94 0.46 -1.45 -1.34 7.12 -1.61 1.38 115.31 128.81 3ibj h LEU 770 Ca -0.28 0.16 0.01 0.00 0.13 0.00 0.00 57.88 57.89 3ibj h LEU 770 Cb 1.11 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.32 3ibj h LEU 770 CO 0.88 -0.10 0.37 0.00 -0.13 0.00 0.00 178.44 179.47 3ibj h ALA 771 N 1.76 1.60 0.09 1.25 0.00 -1.86 -0.27 119.26 121.83 3ibj h ALA 771 Ca 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 3ibj h ALA 771 Cb 1.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3ibj h ALA 771 CO -0.51 0.37 -0.04 1.25 0.00 0.00 0.00 179.25 180.32 3ibj h HIS 772 N 0.76 -0.11 -0.55 0.00 -0.00 0.15 -3.00 115.15 112.40 3ibj h HIS 772 Ca 0.21 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.64 3ibj h HIS 772 Cb -0.09 0.04 -0.10 0.00 -0.00 0.00 0.00 27.41 27.26 3ibj h HIS 772 CO -0.00 0.31 -0.51 1.25 -0.00 0.00 0.00 177.93 178.99 3ibj h HIS 773 N -0.57 -1.53 -0.73 5.26 6.17 -0.69 -0.92 115.15 122.14 3ibj h HIS 773 Ca -0.01 0.09 0.16 0.00 0.71 0.00 0.00 60.37 61.31 3ibj h HIS 773 Cb 0.47 0.74 -0.13 0.00 2.52 0.00 0.00 27.41 31.01 3ibj h HIS 773 CO 0.07 -0.45 -0.07 -0.07 0.71 0.00 0.00 177.93 178.12 3ibj h LEU 774 N -0.28 -0.47 -0.50 0.26 3.38 -1.11 0.18 115.31 116.76 3ibj h LEU 774 Ca 0.13 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.40 3ibj h LEU 774 Cb 0.56 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 3ibj h LEU 774 CO -0.67 -0.20 -0.07 0.03 0.09 0.00 0.00 178.44 177.62 3ibj h ARG 775 N 0.06 0.05 0.00 1.13 3.08 -1.03 -1.87 114.38 115.80 3ibj h ARG 775 Ca 0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3ibj h ARG 775 Cb 0.63 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3ibj h ARG 775 CO -0.69 0.03 -0.21 0.44 -1.07 0.00 0.00 179.97 178.47 3ibj n ILE 776 N -5.30 0.52 -0.33 2.04 -5.35 -0.75 -4.40 119.36 105.80 3ibj n ILE 776 Ca 0.05 -0.29 0.24 0.00 -0.27 0.00 0.00 62.75 62.48 3ibj n ILE 776 Cb 0.27 -0.43 0.45 0.00 -1.74 0.00 0.00 39.64 38.19 3ibj n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3ibj h PHE 777 N 0.00 0.49 0.00 4.28 3.57 -0.11 0.99 116.94 126.16 3ibj h PHE 777 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3ibj h PHE 777 Cb 0.74 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 3ibj h PHE 777 CO 0.00 -0.42 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.39 3ibj h LYS 778 N 0.04 0.00 0.00 1.11 3.64 -1.77 -1.96 116.57 117.63 3ibj h LYS 778 Ca 0.73 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.87 3ibj h LYS 778 Cb 1.77 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.55 3ibj h LYS 778 CO -0.81 0.04 -1.34 -0.44 -2.27 0.00 0.00 179.45 174.63 3ibj h ASP 779 N 0.00 0.00 0.89 4.20 3.32 0.66 -3.23 116.42 122.27 3ibj h ASP 779 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ibj h ASP 779 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ibj h ASP 779 CO 0.01 0.99 0.00 0.18 -1.72 0.00 0.00 179.24 178.69 3ibj n LEU 780 N -3.19 0.41 -0.07 1.55 4.77 -0.42 -3.23 117.00 116.82 3ibj n LEU 780 Ca -0.08 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.42 3ibj n LEU 780 Cb 0.99 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3ibj n LEU 780 CO 0.46 -0.29 -0.23 1.56 -1.33 0.00 0.00 177.39 177.55 3ibj h GLN 781 N 0.00 0.00 -0.97 3.23 4.20 -1.46 -3.16 115.11 116.95 3ibj h GLN 781 Ca 0.00 0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.99 3ibj h GLN 781 Cb 0.45 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.09 3ibj h GLN 781 CO 0.00 0.09 0.49 -0.22 -0.67 0.00 0.00 178.83 178.51 3ibj h LYS 782 N -1.00 0.33 -0.83 1.46 1.63 -1.65 1.39 116.57 117.90 3ibj h LYS 782 Ca -0.02 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3ibj h LYS 782 Cb 0.42 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 3ibj h LYS 782 CO -0.01 0.22 0.45 1.98 -3.45 0.00 0.00 179.45 178.64 3ibj h MET 783 N 0.34 1.15 -0.51 1.90 4.05 -1.71 1.50 114.93 121.66 3ibj h MET 783 Ca 0.67 -0.14 -0.10 0.00 -0.28 0.00 0.00 59.70 59.85 3ibj h MET 783 Cb 1.44 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 3ibj h MET 783 CO -0.59 0.85 -0.09 0.00 0.23 0.00 0.00 176.91 177.31 3ibj h ALA 784 N 1.24 0.69 -0.02 0.39 0.00 0.16 -3.06 119.26 118.66 3ibj h ALA 784 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ibj h ALA 784 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ibj h ALA 784 CO -0.05 0.58 0.01 0.93 0.00 0.00 0.00 179.25 180.73 3ibj h GLU 785 N 0.82 0.03 -2.68 0.00 5.08 0.13 -3.34 114.58 114.62 3ibj h GLU 785 Ca 0.13 -0.01 -0.76 0.00 -1.00 0.00 0.00 59.36 57.73 3ibj h GLU 785 Cb 0.64 -0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.57 3ibj h GLU 785 CO 0.04 0.20 0.46 1.33 -1.00 0.00 0.00 179.01 180.04 3ibj n VAL 786 N -4.98 4.68 0.00 3.13 0.24 0.50 -5.04 118.33 116.86 3ibj n VAL 786 Ca -0.07 -5.78 0.00 0.00 -2.04 0.00 0.00 64.34 56.45 3ibj n VAL 786 Cb 0.11 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.46 3ibj n VAL 786 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ibj n GLY 787 N 1.06 1.43 0.00 7.63 0.00 -1.16 -4.66 105.19 109.49 3ibj n GLY 787 Ca 0.29 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3ibj n GLY 787 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ibj n TYR 788 N 0.46 0.00 -2.19 1.61 9.36 -1.25 -4.37 117.16 120.79 3ibj n TYR 788 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 3ibj n TYR 788 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 3ibj n TYR 788 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3ibj s ASP 789 N 0.00 6.79 0.44 2.98 -1.08 -1.26 -4.86 116.67 119.68 3ibj s ASP 789 Ca 0.00 2.00 0.29 0.00 -0.52 0.00 0.00 52.55 54.32 3ibj s ASP 789 Cb 0.00 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.98 3ibj s ASP 789 CO 0.00 -0.85 1.84 -0.09 0.52 0.00 0.00 175.17 176.59 3ibj h ARG 790 N 8.93 0.00 0.00 4.34 1.12 -1.95 -2.35 114.38 124.48 3ibj h ARG 790 Ca -0.34 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.38 3ibj h ARG 790 Cb 1.15 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.08 3ibj h ARG 790 CO 0.96 0.00 -1.37 0.09 -3.11 0.00 0.00 179.97 176.54 3ibj n ASN 791 N -2.85 0.85 -4.63 -3.80 3.02 -1.26 -4.81 115.26 101.78 3ibj n ASN 791 Ca 0.02 0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 54.51 3ibj n ASN 791 Cb 0.34 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3ibj n ASN 791 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ibj s ASN 792 N -5.72 6.16 0.22 6.41 3.84 -0.88 -4.86 114.94 120.10 3ibj s ASN 792 Ca -0.03 1.95 -0.04 0.00 0.21 0.00 0.00 52.86 54.95 3ibj s ASN 792 Cb 0.09 -2.53 0.20 0.00 -0.55 0.00 0.00 41.25 38.47 3ibj s ASN 792 CO 0.81 -1.39 1.63 0.11 -2.79 0.00 0.00 177.10 175.47 3ibj h LYS 793 N 11.82 0.74 -0.40 0.43 6.56 -1.87 -2.87 116.57 130.97 3ibj h LYS 793 Ca -0.39 -0.30 -0.04 0.00 -1.06 0.00 0.00 60.65 58.86 3ibj h LYS 793 Cb 1.20 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 3ibj h LYS 793 CO 0.98 0.91 0.10 0.37 -2.06 0.00 0.00 179.45 179.75 3ibj h GLN 794 N 0.64 0.64 0.00 3.15 5.75 -1.94 -2.68 115.11 120.67 3ibj h GLN 794 Ca 0.09 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3ibj h GLN 794 Cb 0.74 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3ibj h GLN 794 CO 0.06 0.66 -0.04 0.45 -2.65 0.00 0.00 178.83 177.31 3ibj h HIS 795 N 0.50 0.00 -0.33 3.99 3.86 -1.81 -1.70 115.15 119.66 3ibj h HIS 795 Ca 0.13 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 3ibj h HIS 795 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3ibj h HIS 795 CO 0.02 0.04 -0.36 0.45 0.86 0.00 0.00 177.93 178.93 3ibj h HIS 796 N 0.00 0.90 -0.56 2.45 3.86 -1.26 -2.43 115.15 118.11 3ibj h HIS 796 Ca -0.00 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 3ibj h HIS 796 Cb 0.10 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3ibj h HIS 796 CO 0.00 1.01 0.10 0.00 0.86 0.00 0.00 177.93 179.90 3ibj h ARG 797 N 0.63 0.92 0.00 2.45 3.08 -1.27 -0.33 114.38 119.87 3ibj h ARG 797 Ca 0.06 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3ibj h ARG 797 Cb 0.90 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3ibj h ARG 797 CO 0.08 0.88 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.55 3ibj h LEU 798 N 0.82 0.00 -0.15 3.04 3.38 -1.54 -2.10 115.31 118.76 3ibj h LEU 798 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3ibj h LEU 798 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ibj h LEU 798 CO 0.01 0.12 -0.40 0.25 0.09 0.00 0.00 178.44 178.51 3ibj h LEU 799 N 0.00 0.61 -0.60 1.67 5.85 -1.06 -0.38 115.31 121.40 3ibj h LEU 799 Ca -0.01 -0.59 -0.12 0.00 0.84 0.00 0.00 57.88 58.00 3ibj h LEU 799 Cb 1.10 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3ibj h LEU 799 CO 0.02 1.08 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.90 3ibj h LEU 800 N 0.16 0.90 0.60 2.25 3.38 -1.04 0.24 115.31 121.79 3ibj h LEU 800 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3ibj h LEU 800 Cb 1.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3ibj h LEU 800 CO 0.09 1.08 -0.39 0.00 0.09 0.00 0.00 178.44 179.31 3ibj h LEU 802 N -0.93 -0.71 -0.29 0.00 5.85 -0.57 0.22 115.31 118.88 3ibj h LEU 802 Ca -0.08 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ibj h LEU 802 Cb 0.75 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3ibj h LEU 802 CO 0.06 -0.26 0.19 -0.07 -0.34 0.00 0.00 178.44 178.02 3ibj h LEU 803 N 0.00 0.34 0.17 2.25 3.38 -0.45 -1.03 115.31 119.98 3ibj h LEU 803 Ca 0.38 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.33 3ibj h LEU 803 Cb 0.59 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3ibj h LEU 803 CO -0.81 0.27 -0.52 -0.03 0.09 0.00 0.00 178.44 177.45 3ibj h MET 804 N 0.38 -0.74 -0.78 1.13 4.05 0.29 -0.07 114.93 119.19 3ibj h MET 804 Ca 0.11 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.76 3ibj h MET 804 Cb -0.02 0.17 -0.12 0.00 -0.80 0.00 0.00 31.60 30.83 3ibj h MET 804 CO -0.02 -0.50 0.17 1.15 0.23 0.00 0.00 176.91 177.94 3ibj h THR 805 N -0.77 0.44 -0.19 -0.77 2.02 -1.00 -0.24 112.91 112.39 3ibj h THR 805 Ca -0.01 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3ibj h THR 805 Cb 0.76 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3ibj h THR 805 CO -0.25 0.04 -0.04 0.28 0.37 0.00 0.00 175.52 175.92 3ibj h SER 806 N 0.24 0.26 -0.08 4.18 0.02 -0.15 -2.21 113.55 115.81 3ibj h SER 806 Ca 0.45 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3ibj h SER 806 Cb 0.81 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.29 3ibj h SER 806 CO -0.57 0.35 -0.42 0.00 -1.14 0.00 0.00 176.83 175.05 3ibj h ASP 808 N -0.03 0.47 -0.55 0.00 1.82 -0.90 -1.57 116.42 115.66 3ibj h ASP 808 Ca -0.03 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 3ibj h ASP 808 Cb 1.07 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.03 3ibj h ASP 808 CO 0.09 0.31 0.00 0.18 -1.61 0.00 0.00 179.24 178.20 3ibj n LEU 809 N -4.83 4.48 0.00 2.28 4.77 -0.86 -4.63 117.00 118.20 3ibj n LEU 809 Ca 0.08 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 3ibj n LEU 809 Cb 0.18 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3ibj n LEU 809 CO 0.28 0.78 0.40 -1.54 -1.33 0.00 0.00 177.39 175.98 3ibj n SER 810 N 0.80 0.00 -0.00 -1.43 3.41 -0.59 -0.81 113.62 115.00 3ibj n SER 810 Ca 0.24 0.15 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 3ibj n SER 810 Cb 0.85 -0.15 0.66 0.00 -0.26 0.00 0.00 64.21 65.32 3ibj n SER 810 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ibj n ASP 811 N -1.07 0.02 0.19 4.04 5.75 -1.26 -3.05 116.55 121.16 3ibj n ASP 811 Ca 0.00 0.24 0.07 0.00 -0.01 0.00 0.00 54.79 55.10 3ibj n ASP 811 Cb 0.23 -0.40 0.21 0.00 -1.03 0.00 0.00 41.12 40.13 3ibj n ASP 811 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3ibj h GLN 812 N 0.01 0.00 -0.01 0.11 1.08 -1.37 -3.17 115.11 111.76 3ibj h GLN 812 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ibj h GLN 812 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3ibj h GLN 812 CO 0.00 0.28 -0.05 0.25 -0.95 0.00 0.00 178.83 178.36 3ibj n THR 813 N -3.23 0.00 -1.98 -0.54 -2.24 -1.17 -4.10 114.28 101.02 3ibj n THR 813 Ca 0.02 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 3ibj n THR 813 Cb 0.58 0.37 0.16 0.00 -2.10 0.00 0.00 70.33 69.34 3ibj n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ibj n LYS 814 N -0.14 -0.88 -1.48 -0.78 4.76 -1.20 -4.86 118.16 113.59 3ibj n LYS 814 Ca 0.18 -1.93 -0.33 0.00 -2.87 0.00 0.00 58.31 53.36 3ibj n LYS 814 Cb 0.33 -1.06 0.08 0.00 -1.84 0.00 0.00 35.03 32.54 3ibj n LYS 814 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3ibj s GLY 815 N -5.36 2.09 0.19 0.72 0.00 -1.26 -4.70 107.32 98.99 3ibj s GLY 815 Ca 0.64 0.61 -0.11 0.00 0.00 0.00 0.00 44.72 45.85 3ibj s GLY 815 CO 0.44 0.98 1.74 -0.25 0.00 0.00 0.00 173.10 176.02 3ibj h TRP 816 N -0.44 0.33 0.00 1.90 2.91 -1.96 0.02 115.95 118.71 3ibj h TRP 816 Ca -0.46 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 3ibj h TRP 816 Cb 1.26 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.84 3ibj h TRP 816 CO 0.52 0.09 -0.06 1.57 -1.03 0.00 0.00 178.44 179.53 3ibj h LYS 817 N 0.37 0.00 0.00 2.65 2.10 -1.98 0.20 116.57 119.91 3ibj h LYS 817 Ca 0.27 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.83 3ibj h LYS 817 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 3ibj h LYS 817 CO -0.28 0.06 -0.51 1.15 -2.00 0.00 0.00 179.45 177.88 3ibj h THR 818 N 0.00 1.32 -0.78 0.07 2.02 -1.64 -2.68 112.91 111.21 3ibj h THR 818 Ca -0.00 -2.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 3ibj h THR 818 Cb 0.39 2.68 -0.04 0.00 -1.74 0.00 0.00 68.15 69.44 3ibj h THR 818 CO 0.01 0.45 0.48 0.00 0.37 0.00 0.00 175.52 176.83 3ibj h THR 819 N -1.00 1.22 -0.81 3.16 1.03 -0.90 -1.16 112.91 114.44 3ibj h THR 819 Ca -0.14 -0.45 0.16 0.00 -0.01 0.00 0.00 66.41 65.97 3ibj h THR 819 Cb 1.06 0.11 -0.10 0.00 -1.07 0.00 0.00 68.15 68.15 3ibj h THR 819 CO -0.08 0.22 0.36 -0.09 -0.01 0.00 0.00 175.52 175.92 3ibj h ARG 820 N 1.07 0.47 -0.18 0.00 1.12 -0.68 0.21 114.38 116.40 3ibj h ARG 820 Ca 0.28 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.94 3ibj h ARG 820 Cb -0.06 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 29.79 3ibj h ARG 820 CO -0.06 0.31 -0.62 0.87 -3.11 0.00 0.00 179.97 177.37 3ibj h LYS 821 N 0.49 0.63 -0.09 0.20 1.79 -0.96 -3.15 116.57 115.48 3ibj h LYS 821 Ca 0.46 -0.43 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 3ibj h LYS 821 Cb 0.72 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.44 3ibj h LYS 821 CO -0.42 1.05 -0.46 0.82 -1.08 0.00 0.00 179.45 179.37 3ibj h ILE 822 N 0.46 1.39 -1.14 1.86 2.04 -0.18 -2.96 117.51 118.98 3ibj h ILE 822 Ca -0.01 -1.82 0.33 0.00 1.00 0.00 0.00 64.86 64.37 3ibj h ILE 822 Cb 1.20 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 3ibj h ILE 822 CO 0.12 0.54 0.86 0.00 0.00 0.00 0.00 178.15 179.67 3ibj h ALA 823 N 0.45 3.06 -0.15 1.87 0.00 -0.66 0.41 119.26 124.24 3ibj h ALA 823 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ibj h ALA 823 Cb 1.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ibj h ALA 823 CO 0.09 -1.45 0.09 0.93 0.00 0.00 0.00 179.25 178.92 3ibj h GLU 824 N 0.00 0.21 -0.46 0.00 5.08 -1.47 -0.84 114.58 117.10 3ibj h GLU 824 Ca 0.54 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.83 3ibj h GLU 824 Cb 2.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.45 3ibj h GLU 824 CO -0.01 0.18 0.09 -0.07 -1.00 0.00 0.00 179.01 178.21 3ibj h LEU 825 N 0.17 0.72 -0.29 1.33 4.07 -0.30 0.83 115.31 121.83 3ibj h LEU 825 Ca 0.05 -0.25 0.04 0.00 0.08 0.00 0.00 57.88 57.80 3ibj h LEU 825 Cb 0.03 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 3ibj h LEU 825 CO -0.01 0.78 0.07 0.40 -1.08 0.00 0.00 178.44 178.61 3ibj h ILE 826 N 0.62 0.88 0.04 1.22 2.04 -1.14 -1.75 117.51 119.43 3ibj h ILE 826 Ca 0.14 -0.06 -0.22 0.00 1.00 0.00 0.00 64.86 65.71 3ibj h ILE 826 Cb 0.36 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3ibj h ILE 826 CO 0.01 0.03 -1.03 1.88 0.00 0.00 0.00 178.15 179.04 3ibj h TYR 827 N 0.19 0.25 -0.90 1.37 -1.99 -0.99 0.17 116.97 115.08 3ibj h TYR 827 Ca 0.13 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.75 3ibj h TYR 827 Cb 0.13 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.78 3ibj h TYR 827 CO -0.16 1.07 0.57 -0.22 -0.00 0.00 0.00 178.16 179.43 3ibj h LYS 828 N 0.06 1.03 0.00 4.88 3.64 0.90 -2.95 116.57 124.12 3ibj h LYS 828 Ca -0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3ibj h LYS 828 Cb 1.73 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3ibj h LYS 828 CO 0.15 0.68 0.00 -1.91 -2.27 0.00 0.00 179.45 176.10 3ibj n GLU 829 N -4.57 0.00 0.09 1.90 2.13 -0.68 -3.59 120.64 115.93 3ibj n GLU 829 Ca 0.13 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.21 3ibj n GLU 829 Cb 0.15 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3ibj n GLU 829 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ibj n PHE 830 N -1.28 0.00 -2.97 4.31 7.35 0.04 -3.00 117.46 121.91 3ibj n PHE 830 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 3ibj n PHE 830 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3ibj n PHE 830 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3ibj n PHE 831 N -1.04 3.37 -3.59 -5.13 0.99 -1.12 -4.52 117.46 106.43 3ibj n PHE 831 Ca 0.00 -3.94 -0.04 0.00 -0.00 0.00 0.00 57.45 53.47 3ibj n PHE 831 Cb 0.38 -0.47 -0.02 0.00 -1.00 0.00 0.00 39.48 38.38 3ibj n PHE 831 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3ibj s SER 832 N -3.30 -0.18 0.66 4.37 1.04 -1.16 -5.03 113.70 110.11 3ibj s SER 832 Ca 0.47 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3ibj s SER 832 Cb 0.30 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3ibj s SER 832 CO -0.13 -0.37 0.00 1.67 0.98 0.00 0.00 173.24 175.39 3ibj n GLN 833 N -0.20 -1.19 0.00 4.02 7.27 -1.26 -4.79 117.38 121.22 3ibj n GLN 833 Ca -0.03 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.82 3ibj n GLN 833 Cb 0.60 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.80 3ibj n GLN 833 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ibj n GLY 834 N -1.74 1.24 0.00 1.69 0.00 -1.26 -4.43 105.19 100.69 3ibj n GLY 834 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3ibj n GLY 834 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibj n ASP 835 N 0.00 0.43 0.11 1.61 -0.08 -1.26 -4.37 116.55 112.99 3ibj n ASP 835 Ca 0.00 -0.71 -0.01 0.00 -1.51 0.00 0.00 54.79 52.56 3ibj n ASP 835 Cb 0.00 0.42 0.25 0.00 2.34 0.00 0.00 41.12 44.14 3ibj n ASP 835 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3ibj h LEU 836 N 0.00 0.19 -1.95 -2.67 3.38 -1.94 -1.51 115.31 110.81 3ibj h LEU 836 Ca 0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3ibj h LEU 836 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ibj h LEU 836 CO 0.00 0.57 0.39 -0.33 0.09 0.00 0.00 178.44 179.17 3ibj h GLU 837 N 0.15 0.00 -3.93 1.13 5.08 -1.84 -2.85 114.58 112.32 3ibj h GLU 837 Ca 0.01 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.69 3ibj h GLU 837 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3ibj h GLU 837 CO 0.06 0.00 3.09 1.63 -1.00 0.00 0.00 179.01 182.79 3ibj n LYS 838 N -3.22 2.73 0.00 2.33 4.76 -0.57 -5.11 118.16 119.09 3ibj n LYS 838 Ca 0.02 -2.41 0.00 0.00 -2.87 0.00 0.00 58.31 53.05 3ibj n LYS 838 Cb 0.49 -3.15 0.00 0.00 -1.84 0.00 0.00 35.03 30.53 3ibj n LYS 838 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ibj n ALA 839 N 5.95 0.00 0.00 7.82 0.00 -1.08 -5.08 120.51 128.12 3ibj n ALA 839 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3ibj n ALA 839 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3ibj n ALA 839 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3ibj n MET 848 N 0.00 0.00 0.08 0.00 0.00 -1.26 -4.98 117.12 110.97 3ibj n MET 848 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 3ibj n MET 848 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 3ibj n MET 848 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3ibj h ASP 849 N 0.00 0.12 -0.45 6.12 1.82 -2.04 1.28 116.42 123.27 3ibj h ASP 849 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 3ibj h ASP 849 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 3ibj h ASP 849 CO 0.00 0.98 0.00 0.54 -1.61 0.00 0.00 179.24 179.15 3ibj n ARG 850 N -3.53 2.27 -0.41 0.28 3.00 -1.26 -3.19 116.66 113.82 3ibj n ARG 850 Ca -0.02 -1.71 0.00 0.00 -0.01 0.00 0.00 57.85 56.11 3ibj n ARG 850 Cb 0.86 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.87 3ibj n ARG 850 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ibj n GLU 851 N 0.78 0.00 0.00 5.56 -0.58 -0.79 -4.58 120.64 121.03 3ibj n GLU 851 Ca 0.16 -0.78 0.02 0.00 -0.42 0.00 0.00 57.16 56.13 3ibj n GLU 851 Cb 0.46 -0.43 0.01 0.00 -0.57 0.00 0.00 31.44 30.91 3ibj n GLU 851 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3ibj n LYS 852 N 0.00 1.38 0.16 3.49 4.81 0.44 -4.35 118.16 124.09 3ibj n LYS 852 Ca 0.00 -0.52 0.13 0.00 -0.87 0.00 0.00 58.31 57.05 3ibj n LYS 852 Cb 0.64 -0.95 0.50 0.00 0.02 0.00 0.00 35.03 35.24 3ibj n LYS 852 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ibj h ALA 853 N 0.68 1.00 0.00 3.14 0.00 -1.78 -2.34 119.26 119.96 3ibj h ALA 853 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ibj h ALA 853 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ibj h ALA 853 CO 0.00 0.00 -0.71 0.66 0.00 0.00 0.00 179.25 179.20 3ibj n TYR 854 N -2.43 0.21 -0.19 0.00 4.02 -1.26 -4.11 117.16 113.40 3ibj n TYR 854 Ca 0.02 0.06 0.30 0.00 -0.01 0.00 0.00 57.90 58.28 3ibj n TYR 854 Cb 0.29 -0.39 0.71 0.00 -0.02 0.00 0.00 39.34 39.93 3ibj n TYR 854 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3ibj h ILE 855 N 0.00 0.35 0.05 -0.72 1.08 -1.69 0.11 117.51 116.69 3ibj h ILE 855 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3ibj h ILE 855 Cb 0.63 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3ibj h ILE 855 CO 0.00 0.00 -0.03 -0.65 -0.69 0.00 0.00 178.15 176.78 3ibj h PRO 856 N 0.00 -0.07 -0.53 2.37 0.11 -1.80 -2.17 132.00 129.91 3ibj h PRO 856 Ca 0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.62 3ibj h PRO 856 Cb 2.01 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 33.09 3ibj h PRO 856 CO -0.00 0.17 0.24 1.05 -0.21 0.00 0.00 178.00 179.25 3ibj h GLU 857 N -1.00 0.44 -0.28 1.05 4.11 -1.63 1.64 114.58 118.91 3ibj h GLU 857 Ca -0.01 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.45 3ibj h GLU 857 Cb 0.28 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3ibj h GLU 857 CO 0.01 0.29 -0.03 -0.07 0.07 0.00 0.00 179.01 179.29 3ibj h LEU 858 N 0.46 -0.17 0.20 3.06 3.38 -0.96 0.56 115.31 121.83 3ibj h LEU 858 Ca 0.24 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3ibj h LEU 858 Cb 0.21 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ibj h LEU 858 CO -0.20 -0.05 -0.09 -0.61 0.09 0.00 0.00 178.44 177.57 3ibj h GLN 859 N 0.05 -0.25 -0.23 1.13 5.75 -0.38 -0.96 115.11 120.21 3ibj h GLN 859 Ca 0.14 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.71 3ibj h GLN 859 Cb 0.19 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.72 3ibj h GLN 859 CO -0.25 0.05 -0.38 0.82 -2.65 0.00 0.00 178.83 176.42 3ibj h ILE 860 N -0.57 0.19 -0.98 2.39 1.08 0.25 -1.38 117.51 118.50 3ibj h ILE 860 Ca -0.03 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.59 3ibj h ILE 860 Cb 0.42 0.19 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 3ibj h ILE 860 CO 0.04 0.00 0.61 -1.28 -0.69 0.00 0.00 178.15 176.84 3ibj h SER 861 N -0.39 0.81 0.81 1.72 0.87 0.20 -1.62 113.55 115.94 3ibj h SER 861 Ca 0.11 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3ibj h SER 861 Cb 0.58 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3ibj h SER 861 CO -0.44 0.39 -0.39 0.15 -0.53 0.00 0.00 176.83 176.00 3ibj h PHE 862 N 0.84 -1.01 -0.21 2.24 3.57 -0.10 -1.65 116.94 120.62 3ibj h PHE 862 Ca 0.51 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.02 3ibj h PHE 862 Cb 0.68 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 3ibj h PHE 862 CO -0.00 -0.63 -0.49 0.52 -2.23 0.00 0.00 178.31 175.48 3ibj h MET 863 N -1.13 -0.45 -0.77 1.11 2.86 -1.08 0.90 114.93 116.37 3ibj h MET 863 Ca -0.11 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.71 3ibj h MET 863 Cb 0.83 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.50 3ibj h MET 863 CO 0.18 -0.30 0.30 0.93 1.06 0.00 0.00 176.91 179.09 3ibj h GLU 864 N -0.46 0.42 0.00 1.72 4.39 -1.34 0.33 114.58 119.63 3ibj h GLU 864 Ca 0.04 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 3ibj h GLU 864 Cb 0.58 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3ibj h GLU 864 CO -0.44 0.28 -1.47 0.72 -1.16 0.00 0.00 179.01 176.93 3ibj n HIS 865 N -5.02 0.97 0.03 4.33 8.25 -0.62 -4.49 115.22 118.67 3ibj n HIS 865 Ca 0.15 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 3ibj n HIS 865 Cb 0.44 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.46 3ibj n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ibj n ILE 866 N -2.90 0.48 -0.36 1.59 2.08 0.31 -4.86 119.36 115.70 3ibj n ILE 866 Ca -0.11 0.16 0.02 0.00 0.56 0.00 0.00 62.75 63.38 3ibj n ILE 866 Cb 0.87 -1.09 0.16 0.00 -0.75 0.00 0.00 39.64 38.83 3ibj n ILE 866 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ibj h ALA 867 N 0.00 1.36 0.05 -1.39 0.00 -1.03 -3.19 119.26 115.06 3ibj h ALA 867 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3ibj h ALA 867 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ibj h ALA 867 CO 0.00 0.45 -0.50 0.52 0.00 0.00 0.00 179.25 179.73 3ibj h MET 868 N 1.18 0.26 0.00 0.00 2.86 -0.63 -3.03 114.93 115.57 3ibj h MET 868 Ca 0.42 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ibj h MET 868 Cb 0.13 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3ibj h MET 868 CO -0.16 1.08 0.23 -2.30 1.06 0.00 0.00 176.91 176.82 3ibj n PRO 869 N -4.32 0.07 -0.08 -0.22 -0.02 -1.21 -0.17 135.00 129.05 3ibj n PRO 869 Ca -0.11 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 3ibj n PRO 869 Cb 0.65 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 3ibj n PRO 869 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ibj h ILE 870 N 0.00 0.34 0.00 4.25 2.04 -1.54 -3.24 117.51 119.37 3ibj h ILE 870 Ca 0.00 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3ibj h ILE 870 Cb 0.45 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3ibj h ILE 870 CO 0.00 0.12 0.00 1.88 0.00 0.00 0.00 178.15 180.15 3ibj h TYR 871 N -1.00 0.00 0.36 1.37 -1.99 -1.15 0.04 116.97 114.60 3ibj h TYR 871 Ca -0.13 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 3ibj h TYR 871 Cb 0.80 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.53 3ibj h TYR 871 CO -0.09 0.00 -0.17 -0.22 -0.00 0.00 0.00 178.16 177.67 3ibj h LYS 872 N 0.00 -0.46 -0.27 4.88 1.63 -0.72 -2.68 116.57 118.95 3ibj h LYS 872 Ca 0.00 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3ibj h LYS 872 Cb 0.19 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 3ibj h LYS 872 CO 0.00 -0.16 -0.05 -0.07 -3.45 0.00 0.00 179.45 175.73 3ibj h LEU 873 N -0.80 -0.21 -1.55 5.20 3.38 -1.29 -1.31 115.31 118.73 3ibj h LEU 873 Ca -0.05 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.16 3ibj h LEU 873 Cb 0.52 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3ibj h LEU 873 CO 0.08 -0.07 0.53 0.25 0.09 0.00 0.00 178.44 179.33 3ibj h LEU 874 N 0.02 0.40 -1.06 1.67 6.46 -1.03 0.50 115.31 122.27 3ibj h LEU 874 Ca 0.13 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3ibj h LEU 874 Cb 0.19 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3ibj h LEU 874 CO -0.26 0.20 -0.05 1.67 -0.62 0.00 0.00 178.44 179.37 3ibj n GLN 875 N -4.49 1.64 -0.03 1.25 7.27 -0.77 -0.25 117.38 122.02 3ibj n GLN 875 Ca 0.16 -1.06 0.12 0.00 0.07 0.00 0.00 57.00 56.29 3ibj n GLN 875 Cb 0.58 -1.48 0.23 0.00 2.41 0.00 0.00 30.24 31.97 3ibj n GLN 875 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3ibj n ASP 876 N 0.25 2.64 0.00 1.69 9.92 0.17 -4.14 116.55 127.08 3ibj n ASP 876 Ca 0.17 -1.87 0.00 0.00 -0.53 0.00 0.00 54.79 52.56 3ibj n ASP 876 Cb 0.40 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 3ibj n ASP 876 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ibj n LEU 877 N 1.04 1.17 -4.06 0.64 4.77 -0.86 -4.88 117.00 114.83 3ibj n LEU 877 Ca 0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.82 3ibj n LEU 877 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 3ibj n LEU 877 CO 0.15 0.20 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.59 3ibj s PHE 878 N -1.53 3.16 -0.55 -1.77 0.08 0.66 -4.95 117.98 113.08 3ibj s PHE 878 Ca 0.00 -2.25 0.25 0.00 0.12 0.00 0.00 56.93 55.05 3ibj s PHE 878 Cb 0.00 -1.89 0.68 0.00 -0.57 0.00 0.00 43.02 41.24 3ibj s PHE 878 CO 0.00 -0.87 1.72 -1.35 -0.10 0.00 0.00 175.22 174.63 3ibj h PRO 879 N 7.79 0.00 0.00 0.24 0.11 -1.80 -2.17 132.00 136.17 3ibj h PRO 879 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ibj h PRO 879 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ibj h PRO 879 CO 0.46 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.12 3ibj h LYS 880 N 0.00 0.00 -0.58 1.05 1.57 -1.91 -2.77 116.57 113.93 3ibj h LYS 880 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ibj h LYS 880 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3ibj h LYS 880 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3ibj n ALA 881 N -1.92 2.80 0.09 3.86 0.00 -0.82 -4.22 120.51 120.30 3ibj n ALA 881 Ca 0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 3ibj n ALA 881 Cb 0.25 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 3ibj n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibj h ALA 882 N 3.25 0.33 -0.43 0.00 0.00 -1.64 -3.15 119.26 117.62 3ibj h ALA 882 Ca 0.00 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.24 3ibj h ALA 882 Cb 0.83 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ibj h ALA 882 CO 0.12 0.95 0.31 1.49 0.00 0.00 0.00 179.25 182.12 3ibj h GLU 883 N 0.11 0.00 -0.03 0.00 4.81 -1.84 -1.50 114.58 116.13 3ibj h GLU 883 Ca -0.08 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3ibj h GLU 883 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3ibj h GLU 883 CO 0.16 0.00 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.12 3ibj h LEU 884 N 0.00 0.27 0.19 1.64 3.38 -1.86 -2.97 115.31 115.96 3ibj h LEU 884 Ca 0.21 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ibj h LEU 884 Cb 0.83 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3ibj h LEU 884 CO -0.00 0.94 -0.29 0.22 0.09 0.00 0.00 178.44 179.40 3ibj h TYR 885 N -0.37 -0.81 -0.71 1.13 3.20 -1.33 -0.78 116.97 117.30 3ibj h TYR 885 Ca -0.02 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.06 3ibj h TYR 885 Cb 0.95 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3ibj h TYR 885 CO 0.15 -0.36 0.65 1.05 -1.64 0.00 0.00 178.16 178.02 3ibj h GLU 886 N -0.50 0.00 -0.13 1.82 4.11 -1.50 0.91 114.58 119.28 3ibj h GLU 886 Ca -0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.22 3ibj h GLU 886 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ibj h GLU 886 CO -0.09 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.28 3ibj h ARG 887 N 0.00 0.57 -0.03 1.06 2.47 -1.23 -0.72 114.38 116.50 3ibj h ARG 887 Ca 0.34 -0.44 -0.09 0.00 -1.26 0.00 0.00 59.98 58.52 3ibj h ARG 887 Cb 1.64 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 30.05 3ibj h ARG 887 CO -0.00 1.06 -0.34 0.28 0.56 0.00 0.00 179.97 181.53 3ibj h VAL 888 N 0.40 1.48 0.00 2.04 2.07 0.21 -2.29 116.25 120.15 3ibj h VAL 888 Ca -0.03 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 3ibj h VAL 888 Cb 1.30 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3ibj h VAL 888 CO 0.13 0.53 -0.03 0.00 0.02 0.00 0.00 177.57 178.22 3ibj h ALA 889 N 0.33 1.60 0.19 1.67 0.00 -0.31 -0.76 119.26 121.99 3ibj h ALA 889 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ibj h ALA 889 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ibj h ALA 889 CO 0.07 0.04 -0.09 1.03 0.00 0.00 0.00 179.25 180.29 3ibj h SER 890 N 0.00 -0.22 -1.13 0.00 0.87 -1.09 -3.17 113.55 108.81 3ibj h SER 890 Ca -0.00 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 60.89 3ibj h SER 890 Cb 0.07 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 3ibj h SER 890 CO 0.00 0.20 0.80 0.78 -0.53 0.00 0.00 176.83 178.08 3ibj h ASN 891 N -0.98 0.10 -0.52 6.23 2.35 -1.20 1.67 115.58 123.22 3ibj h ASN 891 Ca -0.03 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ibj h ASN 891 Cb 0.20 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3ibj h ASN 891 CO 0.04 0.01 0.34 -0.09 -1.65 0.00 0.00 177.43 176.09 3ibj h ARG 892 N 0.09 0.69 -0.06 0.81 1.12 -1.18 -1.75 114.38 114.09 3ibj h ARG 892 Ca 0.56 -0.04 -0.11 0.00 -1.11 0.00 0.00 59.98 59.28 3ibj h ARG 892 Cb 2.07 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.86 3ibj h ARG 892 CO -0.08 0.46 -0.46 1.49 -3.11 0.00 0.00 179.97 178.28 3ibj h GLU 893 N 0.71 0.15 -0.37 0.20 4.57 0.25 -0.18 114.58 119.90 3ibj h GLU 893 Ca 0.19 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3ibj h GLU 893 Cb -0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3ibj h GLU 893 CO -0.04 0.58 0.16 0.45 -1.18 0.00 0.00 179.01 178.98 3ibj h HIS 894 N 0.12 0.56 -0.49 0.92 3.86 -1.11 -2.03 115.15 116.98 3ibj h HIS 894 Ca 0.01 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3ibj h HIS 894 Cb 0.86 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3ibj h HIS 894 CO 0.01 0.49 0.21 -1.49 0.86 0.00 0.00 177.93 178.01 3ibj h TRP 895 N 0.46 0.68 -0.95 2.45 4.06 -1.00 -1.78 115.95 119.87 3ibj h TRP 895 Ca 0.13 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.06 3ibj h TRP 895 Cb 0.16 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.06 3ibj h TRP 895 CO -0.01 0.52 0.62 1.15 -3.56 0.00 0.00 178.44 177.17 3ibj h THR 896 N 0.69 1.25 -0.19 1.49 2.02 -0.39 -2.36 112.91 115.42 3ibj h THR 896 Ca 0.17 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 3ibj h THR 896 Cb 0.11 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3ibj h THR 896 CO -0.02 0.24 -0.12 0.11 0.37 0.00 0.00 175.52 176.11 3ibj h LYS 897 N 1.30 0.42 0.00 6.66 1.57 -0.68 -2.42 116.57 123.41 3ibj h LYS 897 Ca 0.35 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3ibj h LYS 897 Cb -0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3ibj h LYS 897 CO -0.07 0.73 0.00 1.33 -0.57 0.00 0.00 179.45 180.87 3ibj n VAL 898 N -4.55 1.75 0.17 0.50 0.24 -0.76 -0.11 118.33 115.57 3ibj n VAL 898 Ca -0.05 0.56 0.11 0.00 -2.04 0.00 0.00 64.34 62.93 3ibj n VAL 898 Cb 0.34 -1.56 -0.01 0.00 -1.47 0.00 0.00 33.84 31.14 3ibj n VAL 898 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3ibj n SER 899 N -1.70 0.71 0.16 -1.34 3.41 -0.92 -4.03 113.62 109.92 3ibj n SER 899 Ca -0.00 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.85 3ibj n SER 899 Cb 0.01 0.66 0.41 0.00 -0.26 0.00 0.00 64.21 65.03 3ibj n SER 899 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3ibj h HIS 900 N 0.00 0.12 0.00 7.33 -0.00 -0.44 0.44 115.15 122.60 3ibj h HIS 900 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3ibj h HIS 900 Cb 0.95 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.33 3ibj h HIS 900 CO 0.00 0.32 0.00 1.28 -0.00 0.00 0.00 177.93 179.53 3ibj n LEU 901 N -4.24 0.00 -4.70 2.43 4.77 -1.25 -4.62 117.00 109.38 3ibj n LEU 901 Ca -0.02 0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.79 3ibj n LEU 901 Cb 0.30 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 3ibj n LEU 901 CO 0.38 -0.09 0.07 0.54 -1.33 0.00 0.00 177.39 176.96 3ibj s VAL 902 N -2.41 5.23 1.03 4.08 0.11 0.14 -5.07 120.40 123.52 3ibj s VAL 902 Ca 0.19 0.71 -0.20 0.00 -2.93 0.00 0.00 61.98 59.75 3ibj s VAL 902 Cb 0.12 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 3ibj s VAL 902 CO 0.24 0.31 -0.48 -2.65 -3.33 0.00 0.00 175.10 169.20 3ibj n PRO 903 N 4.00 -0.60 0.00 1.54 -0.02 -1.26 -5.05 135.00 133.60 3ibj n PRO 903 Ca -0.09 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 3ibj n PRO 903 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3ibj n PRO 903 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02