#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy h VAL 240 N 0.00 0.18 -0.69 3.44 2.07 -2.05 -3.29 116.25 115.91 1vsy h VAL 240 Ca 0.00 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.46 1vsy h VAL 240 Cb 0.00 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1vsy h VAL 240 CO 0.00 0.02 0.48 0.78 0.02 0.00 0.00 177.57 178.87 1vsy h ASN 241 N -1.12 0.13 0.29 0.57 2.35 -2.01 -2.31 115.58 113.48 1vsy h ASN 241 Ca -0.09 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1vsy h ASN 241 Cb 0.74 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1vsy h ASN 241 CO 0.16 0.06 -0.14 -0.74 -1.65 0.00 0.00 177.43 175.12 1vsy h HIS 242 N 0.14 -0.37 -0.55 1.19 2.76 -2.01 -3.10 115.15 113.20 1vsy h HIS 242 Ca 0.34 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 1vsy h HIS 242 Cb 1.13 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 1vsy h HIS 242 CO -0.00 -0.05 0.30 -1.49 -1.30 0.00 0.00 177.93 175.39 1vsy h TRP 243 N -0.70 0.76 -0.28 5.26 4.06 -1.56 -0.12 115.95 123.37 1vsy h TRP 243 Ca -0.04 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 60.97 1vsy h TRP 243 Cb 0.48 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1vsy h TRP 243 CO 0.02 0.56 0.53 1.15 -3.56 0.00 0.00 178.44 177.13 1vsy h THR 244 N 0.75 0.16 0.00 1.49 2.02 -1.47 0.10 112.91 115.96 1vsy h THR 244 Ca 0.20 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.22 1vsy h THR 244 Cb 0.05 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1vsy h THR 244 CO -0.03 0.00 -0.89 -1.13 0.37 0.00 0.00 175.52 173.84 1vsy h ASN 245 N 0.00 0.00 -0.07 4.18 -0.73 -0.96 -3.13 115.58 114.87 1vsy h ASN 245 Ca 0.13 -0.50 0.02 0.00 1.87 0.00 0.00 56.30 57.82 1vsy h ASN 245 Cb 1.19 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.78 1vsy h ASN 245 CO -0.00 1.27 0.17 -0.33 -0.37 0.00 0.00 177.43 178.16 1vsy h GLU 246 N -1.00 0.00 0.33 6.67 4.39 -0.54 0.20 114.58 124.63 1vsy h GLU 246 Ca -0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1vsy h GLU 246 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1vsy h GLU 246 CO -0.14 0.00 -0.16 1.25 -1.16 0.00 0.00 179.01 178.80 1vsy h LEU 247 N 0.00 -0.38 -0.98 1.33 6.46 -1.00 -2.85 115.31 117.90 1vsy h LEU 247 Ca 0.03 -0.17 0.28 0.00 -0.12 0.00 0.00 57.88 57.90 1vsy h LEU 247 Cb 0.37 0.10 -0.18 0.00 -0.73 0.00 0.00 40.66 40.21 1vsy h LEU 247 CO -0.00 0.05 0.08 0.50 -0.62 0.00 0.00 178.44 178.44 1vsy h LYS 248 N -0.89 0.01 0.00 1.25 3.64 -0.61 1.10 116.57 121.07 1vsy h LYS 248 Ca -0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1vsy h LYS 248 Cb 0.53 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1vsy h LYS 248 CO 0.07 0.01 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.32 1vsy h ASN 249 N 0.02 0.00 1.04 4.20 2.35 -1.03 -2.91 115.58 119.24 1vsy h ASN 249 Ca 0.62 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.37 1vsy h ASN 249 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1vsy h ASN 249 CO -0.90 0.04 -0.59 0.00 -1.65 0.00 0.00 177.43 174.33 1vsy n LEU 251 N -2.31 0.57 0.22 0.00 4.77 -1.09 -2.88 117.00 116.29 1vsy n LEU 251 Ca 0.03 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.76 1vsy n LEU 251 Cb 0.47 -0.66 0.52 0.00 -2.33 0.00 0.00 43.42 41.42 1vsy n LEU 251 CO 0.36 -0.69 0.88 1.12 -1.33 0.00 0.00 177.39 177.73 1vsy h HIS 252 N 0.00 0.00 -4.16 -1.77 2.07 -1.77 -3.41 115.15 106.11 1vsy h HIS 252 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1vsy h HIS 252 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 1vsy h HIS 252 CO 0.00 0.21 -0.01 1.97 -3.07 0.00 0.00 177.93 177.03 1vsy n PHE 253 N -4.09 -2.47 -3.59 6.12 1.16 -1.14 -5.15 117.46 108.30 1vsy n PHE 253 Ca -0.02 -0.15 -0.20 0.00 -1.87 0.00 0.00 57.45 55.21 1vsy n PHE 253 Cb 0.28 -0.03 -0.03 0.00 -1.61 0.00 0.00 39.48 38.09 1vsy n PHE 253 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1vsy s ASP 254 N -1.23 5.28 -0.14 5.98 1.01 -1.26 -5.01 116.67 121.30 1vsy s ASP 254 Ca 0.03 -0.57 -0.30 0.00 0.71 0.00 0.00 52.55 52.42 1vsy s ASP 254 Cb -0.00 -0.79 0.13 0.00 1.01 0.00 0.00 42.92 43.27 1vsy s ASP 254 CO 0.02 -0.53 1.01 0.72 0.21 0.00 0.00 175.17 176.60 1vsy s PHE 255 N -2.37 -0.33 0.12 4.23 -0.12 -1.26 -5.06 117.98 113.18 1vsy s PHE 255 Ca 0.46 0.48 -0.35 0.00 -0.05 0.00 0.00 56.93 57.47 1vsy s PHE 255 Cb -0.05 0.47 -0.16 0.00 -0.63 0.00 0.00 43.02 42.65 1vsy s PHE 255 CO 0.28 -0.36 1.31 -2.30 -0.05 0.00 0.00 175.22 174.10 1vsy n PRO 256 N 0.47 1.25 0.30 1.99 -0.02 -1.26 -4.84 135.00 132.90 1vsy n PRO 256 Ca -0.09 0.45 0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1vsy n PRO 256 Cb 0.59 -2.06 0.98 0.00 -0.02 0.00 0.00 33.50 32.98 1vsy n PRO 256 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1vsy h VAL 257 N 3.15 0.15 0.00 -1.45 2.07 -1.99 0.17 116.25 118.34 1vsy h VAL 257 Ca -0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1vsy h VAL 257 Cb 1.33 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1vsy h VAL 257 CO 0.76 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 178.28 1vsy h ALA 258 N 1.72 0.98 0.00 1.67 0.00 -1.94 -2.22 119.26 119.47 1vsy h ALA 258 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1vsy h ALA 258 Cb 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1vsy h ALA 258 CO -0.00 0.09 -1.87 -0.11 0.00 0.00 0.00 179.25 177.36 1vsy n LEU 259 N -3.16 0.60 -0.17 0.00 7.94 0.54 -3.56 117.00 119.20 1vsy n LEU 259 Ca 0.02 0.29 -0.07 0.00 -1.11 0.00 0.00 56.01 55.13 1vsy n LEU 259 Cb 0.42 0.25 0.02 0.00 0.53 0.00 0.00 43.42 44.64 1vsy n LEU 259 CO 0.31 0.38 1.08 0.03 -1.11 0.00 0.00 177.39 178.09 1vsy h ARG 260 N 0.00 0.66 -0.74 1.96 3.08 -1.36 0.29 114.38 118.26 1vsy h ARG 260 Ca -0.34 -0.04 0.16 0.00 0.07 0.00 0.00 59.98 59.83 1vsy h ARG 260 Cb 2.01 -0.15 -0.14 0.00 0.08 0.00 0.00 29.97 31.77 1vsy h ARG 260 CO 0.06 0.43 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.05 1vsy h LYS 261 N 0.68 0.03 0.73 0.04 3.64 -1.49 0.14 116.57 120.33 1vsy h LYS 261 Ca 0.19 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1vsy h LYS 261 Cb -0.07 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1vsy h LYS 261 CO -0.04 0.02 -0.35 0.77 -2.27 0.00 0.00 179.45 177.57 1vsy h SER 262 N 0.03 -0.83 -0.23 4.20 0.02 -1.49 -2.99 113.55 112.26 1vsy h SER 262 Ca 0.38 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 1vsy h SER 262 Cb 0.61 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 1vsy h SER 262 CO -0.73 -0.46 -0.20 -0.07 -1.14 0.00 0.00 176.83 174.22 1vsy h LEU 263 N -1.23 -0.65 -0.56 5.07 3.38 0.09 -1.87 115.31 119.56 1vsy h LEU 263 Ca -0.10 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1vsy h LEU 263 Cb 0.76 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1vsy h LEU 263 CO 0.16 -0.24 0.07 0.00 0.09 0.00 0.00 178.44 178.52 1vsy h ALA 264 N 0.88 0.60 -0.74 1.53 0.00 -0.87 -1.71 119.26 118.96 1vsy h ALA 264 Ca 0.13 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1vsy h ALA 264 Cb 0.41 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1vsy h ALA 264 CO -0.35 -0.34 0.49 1.15 0.00 0.00 0.00 179.25 180.19 1vsy h THR 265 N 0.19 1.09 0.12 0.00 2.02 -1.21 0.17 112.91 115.29 1vsy h THR 265 Ca 0.29 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1vsy h THR 265 Cb 0.43 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1vsy h THR 265 CO -0.41 0.16 -0.06 0.58 0.37 0.00 0.00 175.52 176.16 1vsy h VAL 266 N 0.87 0.92 0.00 3.16 2.07 -0.64 -3.08 116.25 119.56 1vsy h VAL 266 Ca 0.30 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1vsy h VAL 266 Cb 0.10 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1vsy h VAL 266 CO -0.09 0.04 0.00 1.88 0.02 0.00 0.00 177.57 179.42 1vsy h TYR 267 N -0.23 0.00 0.01 1.57 -1.99 -0.79 0.44 116.97 115.99 1vsy h TYR 267 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1vsy h TYR 267 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1vsy h TYR 267 CO -0.05 0.00 -0.01 -0.92 -0.00 0.00 0.00 178.16 177.18 1vsy h TYR 268 N 0.00 -0.02 0.00 4.88 3.20 -0.73 -2.44 116.97 121.87 1vsy h TYR 268 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1vsy h TYR 268 Cb 0.84 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1vsy h TYR 268 CO 0.00 0.43 -0.39 1.88 -1.64 0.00 0.00 178.16 178.45 1vsy h TYR 269 N -0.48 0.00 -0.10 -3.82 -1.99 -1.49 -3.25 116.97 105.83 1vsy h TYR 269 Ca -0.00 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1vsy h TYR 269 Cb 0.46 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.19 1vsy h TYR 269 CO 0.08 0.39 -0.14 1.25 -0.00 0.00 0.00 178.16 179.74 1vsy h LEU 270 N 0.00 0.30 -1.66 3.88 5.85 -0.95 -3.03 115.31 119.70 1vsy h LEU 270 Ca -0.00 -0.52 0.21 0.00 0.84 0.00 0.00 57.88 58.41 1vsy h LEU 270 Cb 1.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1vsy h LEU 270 CO 0.05 0.76 0.58 0.28 -0.34 0.00 0.00 178.44 179.77 1vsy h SER 271 N -0.15 0.28 -0.51 1.25 0.02 -1.47 -2.28 113.55 110.70 1vsy h SER 271 Ca 0.01 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1vsy h SER 271 Cb 0.69 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 1vsy h SER 271 CO 0.03 0.12 0.21 0.18 -1.14 0.00 0.00 176.83 176.23 1vsy n LEU 272 N -4.45 4.76 -4.69 5.07 4.32 -1.14 -4.94 117.00 115.93 1vsy n LEU 272 Ca 0.18 -2.47 -0.31 0.00 -0.02 0.00 0.00 56.01 53.39 1vsy n LEU 272 Cb 0.74 -0.67 0.15 0.00 -1.62 0.00 0.00 43.42 42.01 1vsy n LEU 272 CO 0.33 0.68 0.67 -0.69 -1.22 0.00 0.00 177.39 177.16 1vsy s VAL 273 N -2.14 2.50 -0.06 4.08 1.01 -0.86 -5.08 120.40 119.85 1vsy s VAL 273 Ca 0.36 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1vsy s VAL 273 Cb 0.29 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1vsy s VAL 273 CO 0.09 -0.21 0.31 -1.10 0.00 0.00 0.00 175.10 174.18 1vsy s GLN 274 N -4.74 0.55 0.00 2.72 -0.21 -1.26 -4.98 119.66 111.74 1vsy s GLN 274 Ca 0.65 0.06 0.00 0.00 0.02 0.00 0.00 55.36 56.09 1vsy s GLN 274 Cb -0.21 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.05 1vsy s GLN 274 CO 0.58 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1vsy n GLY 275 N 1.93 1.51 3.36 3.09 0.00 -1.26 -5.10 105.19 108.72 1vsy n GLY 275 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1vsy n GLY 275 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vsy s GLN 276 N -0.20 1.43 -0.10 1.61 -2.07 -1.26 -5.11 119.66 113.96 1vsy s GLN 276 Ca 0.00 -1.55 -0.33 0.00 -1.82 0.00 0.00 55.36 51.66 1vsy s GLN 276 Cb 0.00 0.36 -0.11 0.00 -1.09 0.00 0.00 33.01 32.17 1vsy s GLN 276 CO 0.00 -0.54 1.95 0.36 -1.32 0.00 0.00 175.29 175.75 1vsy n LYS 277 N -0.37 2.20 -4.21 9.60 2.85 -1.26 -4.99 118.16 121.99 1vsy n LYS 277 Ca 0.01 0.78 -0.20 0.00 -1.05 0.00 0.00 58.31 57.85 1vsy n LYS 277 Cb 0.64 -2.75 -0.16 0.00 -0.65 0.00 0.00 35.03 32.11 1vsy n LYS 277 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1vsy s VAL 278 N 4.76 0.58 -1.43 0.58 1.01 -1.26 -5.05 120.40 119.59 1vsy s VAL 278 Ca 0.94 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 1vsy s VAL 278 Cb -0.63 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1vsy s VAL 278 CO 0.49 0.23 2.31 0.00 0.00 0.00 0.00 175.10 178.12 1vsy n TYR 279 N 3.96 3.03 -0.13 5.22 9.36 -1.26 -4.80 117.16 132.54 1vsy n TYR 279 Ca -0.25 -2.93 -0.05 0.00 3.32 0.00 0.00 57.90 57.99 1vsy n TYR 279 Cb 0.51 -2.30 0.02 0.00 -0.63 0.00 0.00 39.34 36.94 1vsy n TYR 279 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vsy h ARG 280 N 5.55 -0.02 -1.56 2.98 3.08 -1.96 -2.11 114.38 120.33 1vsy h ARG 280 Ca 0.60 0.00 0.46 0.00 0.07 0.00 0.00 59.98 61.12 1vsy h ARG 280 Cb 0.52 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1vsy h ARG 280 CO 1.75 -0.02 1.09 1.96 -1.07 0.00 0.00 179.97 183.69 1vsy h GLN 281 N -0.02 0.04 0.05 0.04 1.08 -1.99 0.29 115.11 114.59 1vsy h GLN 281 Ca 0.20 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.18 1vsy h GLN 281 Cb 0.33 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1vsy h GLN 281 CO -0.44 0.03 -0.88 1.98 -0.95 0.00 0.00 178.83 178.56 1vsy h MET 282 N 0.04 0.51 0.01 1.46 4.05 -1.79 -2.90 114.93 116.31 1vsy h MET 282 Ca 0.80 -0.61 -0.26 0.00 -0.28 0.00 0.00 59.70 59.34 1vsy h MET 282 Cb 2.98 0.19 0.02 0.00 -0.80 0.00 0.00 31.60 33.98 1vsy h MET 282 CO -0.13 1.24 -1.03 0.45 0.23 0.00 0.00 176.91 177.67 1vsy h HIS 283 N 0.06 0.92 -0.07 1.39 3.86 -0.54 0.22 115.15 120.99 1vsy h HIS 283 Ca -0.12 -0.51 -0.06 0.00 -1.16 0.00 0.00 60.37 58.52 1vsy h HIS 283 Cb 1.58 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.94 1vsy h HIS 283 CO 0.14 1.34 -0.23 0.28 0.86 0.00 0.00 177.93 180.32 1vsy h VAL 284 N 0.34 1.20 -0.01 2.45 2.07 -1.25 -2.08 116.25 118.96 1vsy h VAL 284 Ca -0.12 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.28 1vsy h VAL 284 Cb 1.68 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1vsy h VAL 284 CO 0.20 0.28 -0.82 0.44 0.02 0.00 0.00 177.57 177.68 1vsy h ASP 285 N 0.11 0.26 0.39 0.57 3.32 -1.28 -0.23 116.42 119.56 1vsy h ASP 285 Ca 0.02 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1vsy h ASP 285 Cb 0.47 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1vsy h ASP 285 CO 0.03 0.97 -0.19 0.24 -1.72 0.00 0.00 179.24 178.58 1vsy h MET 286 N 0.12 -0.51 -0.30 3.56 2.86 -0.74 -1.30 114.93 118.63 1vsy h MET 286 Ca -0.04 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1vsy h MET 286 Cb 1.43 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 33.13 1vsy h MET 286 CO 0.13 -0.28 -0.16 0.35 1.06 0.00 0.00 176.91 178.00 1vsy h PHE 287 N -0.63 -0.40 0.00 -0.22 3.57 -1.37 0.14 116.94 118.03 1vsy h PHE 287 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1vsy h PHE 287 Cb 0.46 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1vsy h PHE 287 CO -0.03 -0.24 -0.06 1.49 -2.23 0.00 0.00 178.31 177.25 1vsy h GLU 288 N -0.12 0.00 0.00 1.11 4.81 -0.94 -1.28 114.58 118.16 1vsy h GLU 288 Ca 0.16 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1vsy h GLU 288 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1vsy h GLU 288 CO -0.37 0.06 -1.34 -0.09 -0.73 0.00 0.00 179.01 176.54 1vsy h ARG 289 N 0.00 0.00 0.00 1.92 2.43 -0.10 -2.85 114.38 115.78 1vsy h ARG 289 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1vsy h ARG 289 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1vsy h ARG 289 CO 0.01 0.26 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.58 1vsy h LEU 290 N 0.00 0.00 -2.46 3.80 3.38 -0.03 -3.12 115.31 116.88 1vsy h LEU 290 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1vsy h LEU 290 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1vsy h LEU 290 CO 0.04 0.09 0.00 0.52 0.09 0.00 0.00 178.44 179.18 1vsy n VAL 291 N -3.14 0.71 -1.28 1.22 0.31 -0.55 -4.85 118.33 110.75 1vsy n VAL 291 Ca 0.02 -0.86 -0.44 0.00 -0.01 0.00 0.00 64.34 63.06 1vsy n VAL 291 Cb 0.48 0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 34.08 1vsy n VAL 291 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vsy n SER 292 N 0.39 -1.17 -0.96 4.52 2.88 -1.08 -3.64 113.62 114.56 1vsy n SER 292 Ca 0.08 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1vsy n SER 292 Cb 0.35 -0.87 0.14 0.00 -0.75 0.00 0.00 64.21 63.08 1vsy n SER 292 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1vsy n LEU 293 N 1.84 2.99 -2.80 2.46 4.32 -1.26 -1.43 117.00 123.11 1vsy n LEU 293 Ca 0.16 -1.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.00 1vsy n LEU 293 Cb 0.23 -0.04 0.07 0.00 -1.62 0.00 0.00 43.42 42.06 1vsy n LEU 293 CO 0.51 0.52 0.24 -0.67 -1.22 0.00 0.00 177.39 176.78 1vsy n ASP 294 N 1.31 -1.46 -4.42 -1.43 2.03 -1.23 -4.38 116.55 106.96 1vsy n ASP 294 Ca 0.15 -3.29 -0.43 0.00 0.52 0.00 0.00 54.79 51.74 1vsy n ASP 294 Cb 0.59 1.15 0.00 0.00 -0.72 0.00 0.00 41.12 42.14 1vsy n ASP 294 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1vsy n ASP 295 N 0.14 4.78 -3.14 1.67 -0.08 -0.63 -4.28 116.55 115.02 1vsy n ASP 295 Ca 0.08 -2.91 -0.05 0.00 -1.51 0.00 0.00 54.79 50.39 1vsy n ASP 295 Cb 0.73 -1.72 0.02 0.00 2.34 0.00 0.00 41.12 42.49 1vsy n ASP 295 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1vsy n ASP 296 N 7.78 -7.39 0.00 1.67 -0.08 -1.26 -3.31 116.55 113.96 1vsy n ASP 296 Ca 0.49 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1vsy n ASP 296 Cb 0.44 -5.21 0.00 0.00 2.34 0.00 0.00 41.12 38.69 1vsy n ASP 296 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1vsy n ARG 297 N -2.26 0.00 -2.77 -0.67 1.74 -1.26 -4.92 116.66 106.52 1vsy n ARG 297 Ca -0.03 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.65 1vsy n ARG 297 Cb 0.54 -3.00 -0.05 0.00 -1.02 0.00 0.00 32.46 28.92 1vsy n ARG 297 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1vsy s THR 298 N -0.49 4.26 -0.26 0.55 2.01 -1.21 -4.95 115.64 115.56 1vsy s THR 298 Ca 0.00 2.04 -0.02 0.00 0.31 0.00 0.00 61.69 64.02 1vsy s THR 298 Cb 0.00 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1vsy s THR 298 CO 0.00 0.43 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.75 1vsy s GLN 299 N -0.73 2.87 0.00 4.92 0.74 -1.26 -1.60 119.66 124.59 1vsy s GLN 299 Ca 0.43 -0.96 0.28 0.00 0.05 0.00 0.00 55.36 55.15 1vsy s GLN 299 Cb -0.25 -3.05 1.01 0.00 1.10 0.00 0.00 33.01 31.82 1vsy s GLN 299 CO 0.31 -0.41 1.72 1.19 -0.55 0.00 0.00 175.29 177.55 1vsy n PHE 300 N 4.70 0.00 0.10 1.67 3.72 -0.51 -3.03 117.46 124.11 1vsy n PHE 300 Ca -0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.03 1vsy n PHE 300 Cb 0.47 -0.14 -0.15 0.00 -0.94 0.00 0.00 39.48 38.72 1vsy n PHE 300 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1vsy h THR 301 N 0.97 1.22 0.32 4.37 2.02 -1.66 -2.54 112.91 117.60 1vsy h THR 301 Ca 0.00 -2.76 -0.02 0.00 0.77 0.00 0.00 66.41 64.40 1vsy h THR 301 Cb 0.43 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1vsy h THR 301 CO 0.00 0.84 -0.15 -0.33 0.37 0.00 0.00 175.52 176.25 1vsy h GLU 302 N 0.10 -0.41 0.00 6.66 5.08 -1.92 -0.21 114.58 123.88 1vsy h GLU 302 Ca -0.25 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1vsy h GLU 302 Cb 2.08 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.42 1vsy h GLU 302 CO 0.21 -0.27 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.75 1vsy h LEU 303 N -0.43 0.00 0.03 1.33 3.38 -1.65 0.20 115.31 118.18 1vsy h LEU 303 Ca -0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 1vsy h LEU 303 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1vsy h LEU 303 CO 0.07 0.13 -1.47 -0.07 0.09 0.00 0.00 178.44 177.18 1vsy h LEU 304 N 0.00 0.11 0.63 1.67 3.38 -1.35 -1.93 115.31 117.82 1vsy h LEU 304 Ca -0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1vsy h LEU 304 Cb 0.44 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1vsy h LEU 304 CO 0.02 1.14 -0.30 1.56 0.09 0.00 0.00 178.44 180.95 1vsy h GLN 305 N 0.02 -0.81 -0.06 1.13 4.20 -0.45 -2.43 115.11 116.70 1vsy h GLN 305 Ca -0.20 0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1vsy h GLN 305 Cb 1.94 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.91 1vsy h GLN 305 CO 0.11 -0.53 0.07 0.87 -0.67 0.00 0.00 178.83 178.68 1vsy h LYS 306 N -0.86 0.00 -0.78 1.46 1.57 -1.07 -2.54 116.57 114.34 1vsy h LYS 306 Ca -0.09 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1vsy h LYS 306 Cb 0.65 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 1vsy h LYS 306 CO 0.14 0.00 0.23 1.04 -0.57 0.00 0.00 179.45 180.29 1vsy n GLN 307 N -3.81 3.45 -2.77 3.15 1.13 -0.73 -4.94 117.38 112.86 1vsy n GLN 307 Ca -0.01 -2.66 -0.07 0.00 -1.94 0.00 0.00 57.00 52.32 1vsy n GLN 307 Cb 0.17 -2.10 0.03 0.00 0.11 0.00 0.00 30.24 28.44 1vsy n GLN 307 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vsy n GLY 308 N -0.04 0.43 3.75 1.08 0.00 -0.96 -4.96 105.19 104.49 1vsy n GLY 308 Ca 0.35 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1vsy n GLY 308 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vsy s LEU 309 N -3.05 4.29 -0.07 0.99 2.96 -0.93 -5.07 118.68 117.80 1vsy s LEU 309 Ca 0.15 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1vsy s LEU 309 Cb -0.07 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.20 1vsy s LEU 309 CO 0.23 0.12 0.15 -0.76 -1.32 0.00 0.00 176.35 174.77 1vsy s LEU 310 N 0.24 0.62 0.05 -0.68 1.43 -1.26 -4.82 118.68 114.25 1vsy s LEU 310 Ca 0.20 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.70 1vsy s LEU 310 Cb -0.14 0.38 -0.03 0.00 0.03 0.00 0.00 46.19 46.43 1vsy s LEU 310 CO 0.07 -0.16 -0.25 -0.76 0.23 0.00 0.00 176.35 175.47 1vsy s LEU 311 N 1.29 2.17 0.02 1.79 1.43 -0.04 -5.05 118.68 120.29 1vsy s LEU 311 Ca -0.08 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 1vsy s LEU 311 Cb -0.12 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 1vsy s LEU 311 CO -0.06 0.24 1.47 -0.62 0.23 0.00 0.00 176.35 177.61 1vsy s ASP 312 N -1.24 6.78 0.13 2.29 2.15 -1.26 -4.51 116.67 121.01 1vsy s ASP 312 Ca 0.11 2.22 0.16 0.00 0.43 0.00 0.00 52.55 55.47 1vsy s ASP 312 Cb -0.10 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 39.89 1vsy s ASP 312 CO 0.02 -0.76 1.03 1.12 -0.17 0.00 0.00 175.17 176.40 1vsy h HIS 313 N 7.92 0.00 -0.57 -5.34 2.07 -1.97 -3.36 115.15 113.91 1vsy h HIS 313 Ca -0.39 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.12 1vsy h HIS 313 Cb 1.19 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.14 1vsy h HIS 313 CO 0.75 0.55 0.32 1.96 -3.07 0.00 0.00 177.93 178.45 1vsy h GLN 314 N 0.00 0.77 -0.48 5.12 1.08 -1.99 -0.76 115.11 118.86 1vsy h GLN 314 Ca -0.11 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1vsy h GLN 314 Cb 1.51 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.76 1vsy h GLN 314 CO 0.05 0.55 0.03 0.97 -0.95 0.00 0.00 178.83 179.48 1vsy h ILE 315 N 0.78 1.26 0.23 2.54 2.10 -1.99 -0.13 117.51 122.29 1vsy h ILE 315 Ca 0.20 -1.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.11 1vsy h ILE 315 Cb -0.00 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 1vsy h ILE 315 CO -0.04 0.36 -0.11 -0.03 -1.08 0.00 0.00 178.15 177.25 1vsy h MET 316 N 0.68 -0.30 -0.44 2.19 4.05 -1.59 -2.91 114.93 116.62 1vsy h MET 316 Ca 0.14 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1vsy h MET 316 Cb 0.47 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1vsy h MET 316 CO 0.02 0.07 0.24 1.25 0.23 0.00 0.00 176.91 178.72 1vsy h LEU 317 N -0.76 0.54 -1.86 3.39 6.46 -1.21 -1.96 115.31 119.90 1vsy h LEU 317 Ca -0.03 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1vsy h LEU 317 Cb 0.50 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1vsy h LEU 317 CO 0.05 0.44 -0.12 0.78 -0.62 0.00 0.00 178.44 178.97 1vsy h ASN 318 N 0.61 0.00 0.00 1.25 4.21 -0.98 -1.97 115.58 118.70 1vsy h ASN 318 Ca 0.16 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1vsy h ASN 318 Cb 0.03 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1vsy h ASN 318 CO -0.03 0.12 -0.11 0.15 -1.29 0.00 0.00 177.43 176.28 1vsy h PHE 319 N 0.00 0.00 0.00 1.19 -0.00 -1.19 -3.28 116.94 113.66 1vsy h PHE 319 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1vsy h PHE 319 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.19 1vsy h PHE 319 CO 0.00 0.41 0.10 1.28 -0.00 0.00 0.00 178.31 180.11 1vsy n LEU 320 N -4.69 0.00 -0.41 0.59 4.77 -0.80 -0.36 117.00 116.10 1vsy n LEU 320 Ca -0.06 0.32 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1vsy n LEU 320 Cb 0.22 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1vsy n LEU 320 CO 0.13 -0.32 0.26 0.00 -1.33 0.00 0.00 177.39 176.13 1vsy h GLU 322 N 2.01 0.00 -0.59 0.00 5.08 -0.78 -2.53 114.58 117.77 1vsy h GLU 322 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 322 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1vsy h GLU 322 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 1vsy n PHE 323 N -2.64 0.12 -4.07 4.33 3.01 -1.25 -4.50 117.46 112.45 1vsy n PHE 323 Ca 0.01 -0.05 -0.24 0.00 1.01 0.00 0.00 57.45 58.19 1vsy n PHE 323 Cb 0.27 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 1vsy n PHE 323 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1vsy s LEU 324 N -0.53 3.91 -0.67 4.37 1.43 -0.95 -4.93 118.68 121.30 1vsy s LEU 324 Ca 0.04 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1vsy s LEU 324 Cb 0.03 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.65 1vsy s LEU 324 CO 0.02 0.00 2.44 -2.65 0.23 0.00 0.00 176.35 176.39 1vsy n PRO 325 N -0.86 0.71 -2.62 1.29 -0.02 -1.26 -4.93 135.00 127.32 1vsy n PRO 325 Ca -0.08 -0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 60.74 1vsy n PRO 325 Cb 0.56 -3.11 -0.02 0.00 -0.02 0.00 0.00 33.50 30.91 1vsy n PRO 325 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1vsy s TYR 326 N 11.78 3.36 1.18 6.00 5.04 -1.26 -5.03 117.35 138.42 1vsy s TYR 326 Ca 1.04 1.45 -0.16 0.00 -2.44 0.00 0.00 57.07 56.96 1vsy s TYR 326 Cb -0.35 -3.28 0.23 0.00 0.35 0.00 0.00 41.96 38.91 1vsy s TYR 326 CO 0.26 -0.60 0.58 -2.30 -1.34 0.00 0.00 175.55 172.15 1vsy n PRO 327 N 5.46 -2.30 -2.85 4.97 -0.02 -1.26 -4.32 135.00 134.67 1vsy n PRO 327 Ca 0.10 -0.65 -0.00 0.00 -2.02 0.00 0.00 63.50 60.93 1vsy n PRO 327 Cb 0.47 -1.95 -0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1vsy n PRO 327 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vsy n ASP 328 N -3.65 -7.30 -0.34 2.55 2.03 -1.26 -4.68 116.55 103.90 1vsy n ASP 328 Ca 0.01 1.14 0.29 0.00 0.52 0.00 0.00 54.79 56.76 1vsy n ASP 328 Cb 0.58 -4.23 0.61 0.00 -0.72 0.00 0.00 41.12 37.36 1vsy n ASP 328 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1vsy h PRO 329 N 3.30 0.21 0.00 -0.67 0.13 -1.98 -1.81 132.00 131.17 1vsy h PRO 329 Ca -0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1vsy h PRO 329 Cb 0.34 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1vsy h PRO 329 CO 0.07 0.14 0.20 -0.25 -0.23 0.00 0.00 178.00 177.92 1vsy n ASP 330 N -4.47 0.21 -0.01 1.44 8.00 -1.26 -2.71 116.55 117.75 1vsy n ASP 330 Ca 0.27 0.48 -0.01 0.00 0.71 0.00 0.00 54.79 56.24 1vsy n ASP 330 Cb 1.08 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 1vsy n ASP 330 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1vsy n TYR 331 N -1.74 0.00 -1.71 1.24 4.02 -0.68 -5.02 117.16 113.27 1vsy n TYR 331 Ca -0.01 0.00 -0.61 0.00 -0.01 0.00 0.00 57.90 57.28 1vsy n TYR 331 Cb 0.21 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 1vsy n TYR 331 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vsy n ALA 332 N -2.03 -0.72 -0.11 -0.72 0.00 -1.10 -4.84 120.51 110.99 1vsy n ALA 332 Ca -0.02 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 1vsy n ALA 332 Cb 0.52 -2.10 -0.14 0.00 0.00 0.00 0.00 19.45 17.73 1vsy n ALA 332 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vsy n ARG 333 N 4.65 0.77 -4.33 0.00 0.63 -1.26 -4.94 116.66 112.18 1vsy n ARG 333 Ca 0.27 0.05 -0.34 0.00 -0.92 0.00 0.00 57.85 56.91 1vsy n ARG 333 Cb 0.07 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.36 1vsy n ARG 333 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1vsy s TYR 334 N -2.47 2.99 -0.08 -0.14 1.51 -1.26 -5.09 117.35 112.80 1vsy s TYR 334 Ca -0.19 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1vsy s TYR 334 Cb 0.07 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1vsy s TYR 334 CO 0.69 -0.17 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.65 1vsy s GLU 335 N 0.63 1.60 0.44 -0.62 0.41 -1.26 -4.82 118.70 115.08 1vsy s GLU 335 Ca -0.03 -0.34 -0.07 0.00 -0.41 0.00 0.00 54.97 54.11 1vsy s GLU 335 Cb -0.15 -1.44 0.11 0.00 -1.78 0.00 0.00 34.13 30.88 1vsy s GLU 335 CO 0.02 -0.08 0.27 1.28 -0.49 0.00 0.00 175.26 176.26 1vsy n LEU 336 N 4.21 0.00 0.00 1.80 4.77 -1.26 -3.82 117.00 122.70 1vsy n LEU 336 Ca -0.20 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1vsy n LEU 336 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1vsy n LEU 336 CO 0.22 -1.86 0.00 -1.54 -1.33 0.00 0.00 177.39 172.88 1vsy n SER 337 N -3.84 0.00 -4.45 -1.43 3.41 -1.26 -4.88 113.62 101.17 1vsy n SER 337 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.21 1vsy n SER 337 Cb 0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1vsy n SER 337 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vsy s SER 338 N 0.00 6.74 0.00 4.04 1.04 -1.25 -4.95 113.70 119.33 1vsy s SER 338 Ca 0.00 -2.29 0.00 0.00 0.48 0.00 0.00 55.95 54.14 1vsy s SER 338 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1vsy s SER 338 CO 0.00 -0.98 0.00 0.29 0.98 0.00 0.00 173.24 173.53 1vsy n LYS 339 N 6.28 0.00 -0.50 4.02 5.02 -1.26 -0.43 118.16 131.28 1vsy n LYS 339 Ca 0.27 0.00 0.41 0.00 -2.02 0.00 0.00 58.31 56.97 1vsy n LYS 339 Cb 0.47 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 36.19 1vsy n LYS 339 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1vsy h GLU 340 N 0.00 0.05 0.00 1.97 5.08 -1.95 1.00 114.58 120.73 1vsy h GLU 340 Ca 0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1vsy h GLU 340 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1vsy h GLU 340 CO 0.00 0.04 -0.59 -0.44 -1.00 0.00 0.00 179.01 177.02 1vsy h ASP 341 N 0.06 0.00 -0.51 1.42 5.19 -1.01 -3.32 116.42 118.24 1vsy h ASP 341 Ca 0.83 -0.28 0.15 0.00 -0.62 0.00 0.00 57.03 57.11 1vsy h ASP 341 Cb 2.87 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 42.36 1vsy h ASP 341 CO -0.28 0.97 0.55 0.25 -3.12 0.00 0.00 179.24 177.61 1vsy h LEU 342 N -1.00 0.00 0.00 1.55 5.85 -1.42 -0.80 115.31 119.48 1vsy h LEU 342 Ca -0.11 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.40 1vsy h LEU 342 Cb 0.73 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1vsy h LEU 342 CO -0.07 0.00 -1.02 -0.61 -0.34 0.00 0.00 178.44 176.40 1vsy h GLN 343 N 0.00 0.00 0.12 1.25 4.15 -0.98 -1.62 115.11 118.03 1vsy h GLN 343 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1vsy h GLN 343 Cb 1.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1vsy h GLN 343 CO -0.00 0.98 -0.06 1.25 -1.93 0.00 0.00 178.83 179.07 1vsy h LEU 344 N 0.00 -0.13 -0.82 -2.39 6.46 -1.26 -3.16 115.31 114.00 1vsy h LEU 344 Ca -0.02 -0.38 0.17 0.00 -0.12 0.00 0.00 57.88 57.53 1vsy h LEU 344 Cb 1.78 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 41.63 1vsy h LEU 344 CO 0.13 0.35 0.35 0.15 -0.62 0.00 0.00 178.44 178.79 1vsy h PHE 345 N -0.66 0.58 0.00 1.25 3.57 -1.41 0.51 116.94 120.78 1vsy h PHE 345 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1vsy h PHE 345 Cb 0.51 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vsy h PHE 345 CO 0.08 0.03 0.00 0.00 -2.23 0.00 0.00 178.31 176.19 1vsy h ARG 346 N 0.44 0.00 0.00 1.11 3.08 -1.36 -1.37 114.38 116.29 1vsy h ARG 346 Ca 0.48 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.32 1vsy h ARG 346 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1vsy h ARG 346 CO -0.45 0.00 -1.15 1.25 -1.07 0.00 0.00 179.97 178.55 1vsy h LEU 347 N 0.00 0.00 -0.42 3.04 5.85 -0.03 -2.95 115.31 120.80 1vsy h LEU 347 Ca 0.00 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.29 1vsy h LEU 347 Cb 0.29 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1vsy h LEU 347 CO 0.00 1.43 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.36 1vsy h LEU 348 N -1.00 -0.38 -1.19 2.25 3.38 -1.05 0.40 115.31 117.71 1vsy h LEU 348 Ca -0.31 0.13 0.12 0.00 0.09 0.00 0.00 57.88 57.90 1vsy h LEU 348 Cb 1.25 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.19 1vsy h LEU 348 CO -0.19 -0.14 0.58 -0.07 0.09 0.00 0.00 178.44 178.72 1vsy h LEU 349 N 0.00 0.77 -0.23 1.67 3.38 -1.40 0.24 115.31 119.76 1vsy h LEU 349 Ca 0.20 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1vsy h LEU 349 Cb 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vsy h LEU 349 CO -0.43 0.43 -0.29 0.50 0.09 0.00 0.00 178.44 178.73 1vsy h LYS 350 N 0.84 0.60 0.02 1.13 3.64 -0.94 -2.47 116.57 119.39 1vsy h LYS 350 Ca 0.44 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1vsy h LYS 350 Cb 0.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1vsy h LYS 350 CO -0.20 0.95 -0.01 1.25 -2.27 0.00 0.00 179.45 179.16 1vsy h HIS 351 N 0.29 -0.03 -0.29 1.91 2.76 0.63 -2.40 115.15 118.02 1vsy h HIS 351 Ca 0.03 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1vsy h HIS 351 Cb 0.87 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 1vsy h HIS 351 CO 0.08 0.03 -0.13 0.00 -1.30 0.00 0.00 177.93 176.60 1vsy h ALA 352 N 0.90 0.10 -1.04 5.26 0.00 -0.60 -0.01 119.26 123.87 1vsy h ALA 352 Ca -0.00 0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.28 1vsy h ALA 352 Cb 0.07 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1vsy h ALA 352 CO 0.01 -0.53 0.67 1.25 0.00 0.00 0.00 179.25 180.64 1vsy h HIS 353 N -0.09 0.68 -0.47 0.00 6.17 -0.59 0.65 115.15 121.50 1vsy h HIS 353 Ca 0.15 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.17 1vsy h HIS 353 Cb 0.32 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1vsy h HIS 353 CO -0.33 0.06 -0.06 -0.91 0.71 0.00 0.00 177.93 177.40 1vsy h ASN 354 N 0.41 0.86 -0.70 3.26 2.35 -0.53 -3.25 115.58 117.98 1vsy h ASN 354 Ca 0.60 -0.34 -0.32 0.00 -0.55 0.00 0.00 56.30 55.69 1vsy h ASN 354 Cb 1.49 -0.23 -0.19 0.00 0.05 0.00 0.00 38.32 39.43 1vsy h ASN 354 CO -0.31 0.99 0.31 0.00 -1.65 0.00 0.00 177.43 176.77 1vsy n ALA 355 N -2.45 4.85 0.03 -0.83 0.00 0.05 -4.45 120.51 117.71 1vsy n ALA 355 Ca 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 53.44 50.48 1vsy n ALA 355 Cb 0.35 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 1vsy n ALA 355 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1vsy h LYS 356 N 1.35 0.51 0.00 0.00 3.64 -1.14 -3.28 116.57 117.65 1vsy h LYS 356 Ca 0.40 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vsy h LYS 356 Cb 2.30 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.21 1vsy h LYS 356 CO 0.76 1.05 0.00 -2.30 -2.27 0.00 0.00 179.45 176.69 1vsy n PRO 357 N -3.86 0.29 -0.49 1.90 -0.02 -1.26 -3.06 135.00 128.50 1vsy n PRO 357 Ca -0.05 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1vsy n PRO 357 Cb 0.72 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.98 1vsy n PRO 357 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vsy n PHE 358 N -1.32 1.07 -3.15 6.00 3.01 -1.24 -4.91 117.46 116.91 1vsy n PHE 358 Ca 0.11 -0.83 -0.39 0.00 1.01 0.00 0.00 57.45 57.35 1vsy n PHE 358 Cb 0.21 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.31 1vsy n PHE 358 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1vsy s PHE 359 N -2.67 3.53 -0.80 1.38 0.08 -1.17 -0.87 117.98 117.46 1vsy s PHE 359 Ca 0.43 1.08 -0.32 0.00 0.12 0.00 0.00 56.93 58.24 1vsy s PHE 359 Cb 0.34 -2.71 -0.18 0.00 -0.57 0.00 0.00 43.02 39.89 1vsy s PHE 359 CO 0.11 0.08 2.54 -3.47 -0.10 0.00 0.00 175.22 174.38 1vsy n ASP 360 N 3.90 0.82 0.26 1.36 -0.08 -1.26 -4.75 116.55 116.80 1vsy n ASP 360 Ca -0.03 0.16 0.11 0.00 -1.51 0.00 0.00 54.79 53.52 1vsy n ASP 360 Cb 0.51 -1.05 0.60 0.00 2.34 0.00 0.00 41.12 43.52 1vsy n ASP 360 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1vsy h LYS 361 N 12.84 0.00 0.00 -0.67 6.56 -1.91 -2.33 116.57 131.05 1vsy h LYS 361 Ca -0.10 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.43 1vsy h LYS 361 Cb 1.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.97 1vsy h LYS 361 CO 1.28 0.00 -1.78 -1.13 -2.06 0.00 0.00 179.45 175.76 1vsy n SER 362 N -2.52 0.25 -4.37 0.86 3.41 -1.26 -4.60 113.62 105.39 1vsy n SER 362 Ca -0.01 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 1vsy n SER 362 Cb 0.36 1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 65.69 1vsy n SER 362 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsy n LYS 363 N -2.46 2.50 -0.33 4.33 4.01 -0.88 -4.81 118.16 120.52 1vsy n LYS 363 Ca -0.07 -2.80 0.20 0.00 -0.51 0.00 0.00 58.31 55.13 1vsy n LYS 363 Cb 0.65 -3.48 0.41 0.00 -0.51 0.00 0.00 35.03 32.10 1vsy n LYS 363 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1vsy h GLU 364 N 8.03 0.42 -1.33 1.97 5.08 -1.84 0.63 114.58 127.55 1vsy h GLU 364 Ca 0.39 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 58.34 1vsy h GLU 364 Cb 0.84 -0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.82 1vsy h GLU 364 CO 1.50 0.28 0.50 -1.13 -1.00 0.00 0.00 179.01 179.16 1vsy n SER 365 N -4.99 6.19 -0.05 1.42 3.41 -1.26 -3.83 113.62 114.51 1vsy n SER 365 Ca 0.28 -3.19 -0.20 0.00 -0.26 0.00 0.00 58.87 55.50 1vsy n SER 365 Cb 0.84 -0.98 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1vsy n SER 365 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1vsy n LEU 366 N -0.04 2.72 0.00 1.04 0.00 0.22 -3.70 117.00 117.23 1vsy n LEU 366 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.48 1vsy n LEU 366 Cb 0.70 -1.03 0.00 0.00 0.00 0.00 0.00 43.42 43.09 1vsy n LEU 366 CO 0.46 0.86 0.45 -0.11 0.00 0.00 0.00 177.39 179.04 1vsy n LEU 367 N -3.46 0.00 -0.19 -1.96 7.94 -1.25 -2.56 117.00 115.51 1vsy n LEU 367 Ca -0.38 0.89 0.13 0.00 -1.11 0.00 0.00 56.01 55.54 1vsy n LEU 367 Cb 1.01 -0.39 0.45 0.00 0.53 0.00 0.00 43.42 45.01 1vsy n LEU 367 CO 0.34 -0.39 1.21 0.58 -1.11 0.00 0.00 177.39 178.03 1vsy h VAL 368 N 0.00 0.84 -0.63 1.96 2.07 -1.80 -0.47 116.25 118.22 1vsy h VAL 368 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1vsy h VAL 368 Cb 0.00 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1vsy h VAL 368 CO 0.00 0.10 0.31 0.44 0.02 0.00 0.00 177.57 178.43 1vsy h ASP 369 N 0.54 0.81 -0.13 0.57 3.32 -1.64 -2.18 116.42 117.72 1vsy h ASP 369 Ca 0.38 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 57.09 1vsy h ASP 369 Cb 0.72 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1vsy h ASP 369 CO -0.14 0.71 -0.72 0.74 -1.72 0.00 0.00 179.24 178.11 1vsy h THR 370 N 0.86 1.29 -0.09 0.35 2.02 -0.81 -3.15 112.91 113.38 1vsy h THR 370 Ca 0.22 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1vsy h THR 370 Cb 0.11 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1vsy h THR 370 CO -0.03 0.61 -0.05 0.24 0.37 0.00 0.00 175.52 176.67 1vsy h MET 371 N 0.54 0.19 0.00 6.66 2.86 -1.51 -1.94 114.93 121.72 1vsy h MET 371 Ca -0.04 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1vsy h MET 371 Cb 1.34 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1vsy h MET 371 CO 0.15 0.56 0.05 0.09 1.06 0.00 0.00 176.91 178.82 1vsy n ASN 372 N -4.74 0.00 -0.07 1.22 3.02 -0.82 -0.59 115.26 113.28 1vsy n ASN 372 Ca -0.07 0.22 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1vsy n ASN 372 Cb 0.27 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 1vsy n ASN 372 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1vsy n PHE 373 N -1.18 0.00 -0.24 3.10 7.35 -1.11 -4.19 117.46 121.19 1vsy n PHE 373 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1vsy n PHE 373 Cb 0.05 -0.55 0.10 0.00 0.35 0.00 0.00 39.48 39.43 1vsy n PHE 373 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1vsy h LEU 374 N -0.65 0.59 -0.05 -2.13 3.38 -0.73 -2.80 115.31 112.92 1vsy h LEU 374 Ca -0.32 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1vsy h LEU 374 Cb 1.17 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1vsy h LEU 374 CO -0.19 0.38 -0.20 -0.07 0.09 0.00 0.00 178.44 178.45 1vsy h LEU 375 N 0.72 -0.61 -2.79 1.67 3.38 -1.10 -0.24 115.31 116.33 1vsy h LEU 375 Ca 0.30 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1vsy h LEU 375 Cb 0.16 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1vsy h LEU 375 CO -0.17 -0.26 0.07 -1.28 0.09 0.00 0.00 178.44 176.88 1vsy h SER 376 N -0.30 0.00 0.52 -0.43 0.87 -1.69 -0.80 113.55 111.73 1vsy h SER 376 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1vsy h SER 376 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1vsy h SER 376 CO -0.23 0.00 -0.42 -1.20 -0.53 0.00 0.00 176.83 174.46 1vsy n SER 377 N -3.07 0.50 -4.68 6.23 7.64 -0.15 -4.88 113.62 115.21 1vsy n SER 377 Ca -0.03 -0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.19 1vsy n SER 377 Cb 0.13 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1vsy n SER 377 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1vsy s LEU 378 N -2.94 4.23 0.10 -3.43 0.20 -0.31 -4.79 118.68 111.75 1vsy s LEU 378 Ca 0.13 1.56 -0.25 0.00 0.69 0.00 0.00 54.13 56.25 1vsy s LEU 378 Cb 0.18 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 42.46 1vsy s LEU 378 CO 0.66 -0.50 0.63 0.00 -0.29 0.00 0.00 176.35 176.86 1vsy s ALA 379 N 2.20 -1.66 0.40 5.97 0.00 -1.26 -5.00 121.76 122.41 1vsy s ALA 379 Ca 0.49 0.74 0.30 0.00 0.00 0.00 0.00 51.96 53.48 1vsy s ALA 379 Cb -0.19 0.62 1.35 0.00 0.00 0.00 0.00 23.12 24.90 1vsy s ALA 379 CO 0.17 -0.66 1.40 -2.30 0.00 0.00 0.00 175.76 174.38 1vsy n PRO 380 N -0.02 -0.03 -0.01 0.00 -0.02 -1.26 0.73 135.00 134.39 1vsy n PRO 380 Ca -0.17 1.12 0.14 0.00 -2.02 0.00 0.00 63.50 62.57 1vsy n PRO 380 Cb 0.63 -2.22 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 1vsy n PRO 380 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vsy n SER 381 N -4.48 0.50 0.00 2.55 3.41 -1.26 -3.63 113.62 110.71 1vsy n SER 381 Ca 0.36 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1vsy n SER 381 Cb 1.42 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 1vsy n SER 381 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1vsy n THR 382 N -0.57 0.00 -0.01 6.66 -1.04 0.22 -4.75 114.28 114.80 1vsy n THR 382 Ca 0.20 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1vsy n THR 382 Cb 0.18 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1vsy n THR 382 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1vsy n MET 383 N -1.35 -0.01 0.15 -2.82 2.81 -0.27 0.61 117.12 116.24 1vsy n MET 383 Ca 0.00 0.04 0.01 0.00 -1.81 0.00 0.00 57.70 55.94 1vsy n MET 383 Cb 0.24 -0.06 0.29 0.00 -0.71 0.00 0.00 33.22 32.98 1vsy n MET 383 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1vsy h MET 384 N 0.00 0.07 0.00 0.03 2.86 -1.85 -3.11 114.93 112.93 1vsy h MET 384 Ca 0.01 -0.03 -0.34 0.00 -2.06 0.00 0.00 59.70 57.28 1vsy h MET 384 Cb 0.02 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1vsy h MET 384 CO -0.03 0.48 -2.27 0.00 1.06 0.00 0.00 176.91 176.15 1vsy n ALA 385 N -2.46 1.54 0.22 6.32 0.00 0.20 -4.52 120.51 121.81 1vsy n ALA 385 Ca -0.02 -1.20 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 1vsy n ALA 385 Cb 0.46 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 1vsy n ALA 385 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vsy h VAL 386 N 0.00 0.00 -0.90 0.00 2.07 -0.97 -3.26 116.25 113.18 1vsy h VAL 386 Ca -0.50 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 66.84 1vsy h VAL 386 Cb 2.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.72 1vsy h VAL 386 CO 0.02 0.00 -0.31 0.24 0.02 0.00 0.00 177.57 177.54 1vsy h MET 387 N -0.95 -0.02 -0.69 1.57 2.86 -1.77 -0.71 114.93 115.22 1vsy h MET 387 Ca -0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1vsy h MET 387 Cb 0.47 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1vsy h MET 387 CO 0.10 -0.01 0.39 -1.35 1.06 0.00 0.00 176.91 177.09 1vsy h PRO 388 N -0.02 0.95 -0.04 -0.22 0.11 -1.80 -2.82 132.00 128.16 1vsy h PRO 388 Ca 0.38 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 66.39 1vsy h PRO 388 Cb 0.63 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1vsy h PRO 388 CO -0.93 0.70 -0.24 0.82 -0.21 0.00 0.00 178.00 178.15 1vsy h ILE 389 N 0.94 0.00 -0.88 4.15 2.04 -1.18 -1.73 117.51 120.85 1vsy h ILE 389 Ca 0.24 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.39 1vsy h ILE 389 Cb 0.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.94 1vsy h ILE 389 CO -0.04 0.00 0.16 0.52 0.00 0.00 0.00 178.15 178.79 1vsy n VAL 390 N -3.81 -0.37 0.49 1.67 0.31 -0.97 -0.03 118.33 115.63 1vsy n VAL 390 Ca -0.03 1.89 0.11 0.00 -0.01 0.00 0.00 64.34 66.30 1vsy n VAL 390 Cb 0.17 -2.85 0.45 0.00 -0.91 0.00 0.00 33.84 30.70 1vsy n VAL 390 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1vsy n THR 391 N -5.19 0.78 -0.59 2.52 -1.04 -0.67 -3.20 114.28 106.88 1vsy n THR 391 Ca 0.25 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1vsy n THR 391 Cb 0.82 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1vsy n THR 391 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1vsy n SER 392 N -2.06 0.15 -0.00 8.00 3.41 0.92 -4.86 113.62 119.17 1vsy n SER 392 Ca 0.03 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1vsy n SER 392 Cb 0.26 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1vsy n SER 392 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1vsy n VAL 393 N -0.05 0.00 -3.22 -3.33 3.14 0.96 -1.05 118.33 114.78 1vsy n VAL 393 Ca 0.00 -0.10 -0.39 0.00 -2.96 0.00 0.00 64.34 60.89 1vsy n VAL 393 Cb 0.15 0.58 -0.06 0.00 -1.06 0.00 0.00 33.84 33.45 1vsy n VAL 393 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1vsy s VAL 394 N -1.88 5.08 0.23 1.55 1.01 -1.19 -4.97 120.40 120.23 1vsy s VAL 394 Ca -0.00 1.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 1vsy s VAL 394 Cb 0.01 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1vsy s VAL 394 CO 0.04 0.33 0.75 -2.16 0.00 0.00 0.00 175.10 174.06 1vsy s PRO 395 N 0.43 4.32 -0.72 2.72 0.05 -1.26 -4.92 135.00 135.62 1vsy s PRO 395 Ca 0.30 0.95 -0.27 0.00 0.05 0.00 0.00 61.00 62.03 1vsy s PRO 395 Cb -0.17 -2.91 0.03 0.00 0.05 0.00 0.00 34.50 31.51 1vsy s PRO 395 CO 0.14 0.40 1.24 0.71 0.05 0.00 0.00 177.00 179.54 1vsy s TYR 396 N -1.49 2.34 -0.13 0.56 2.02 -1.26 -4.87 117.35 114.52 1vsy s TYR 396 Ca 0.43 -0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.94 1vsy s TYR 396 Cb -0.17 -4.59 -0.04 0.00 -0.40 0.00 0.00 41.96 36.76 1vsy s TYR 396 CO 0.22 -2.00 -0.23 0.72 -1.57 0.00 0.00 175.55 172.68 1vsy n HIS 397 N 9.15 0.15 -2.11 2.71 8.25 -1.26 -5.04 115.22 127.07 1vsy n HIS 397 Ca 0.03 0.07 -0.02 0.00 -0.26 0.00 0.00 57.72 57.53 1vsy n HIS 397 Cb 0.49 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1vsy n HIS 397 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1vsy n TYR 398 N -3.97 -3.22 -4.52 4.41 4.01 -1.26 -4.86 117.16 107.74 1vsy n TYR 398 Ca -0.09 1.90 -0.23 0.00 -0.16 0.00 0.00 57.90 59.32 1vsy n TYR 398 Cb 0.35 -3.23 -0.05 0.00 -0.31 0.00 0.00 39.34 36.10 1vsy n TYR 398 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1vsy n HIS 399 N 1.22 0.75 -0.03 -0.72 8.25 -1.00 -4.30 115.22 119.39 1vsy n HIS 399 Ca -0.17 -1.81 -0.12 0.00 -0.26 0.00 0.00 57.72 55.37 1vsy n HIS 399 Cb 0.26 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1vsy n HIS 399 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vsy h ILE 400 N 1.22 1.30 0.00 1.59 2.04 -1.97 -3.38 117.51 118.31 1vsy h ILE 400 Ca -0.29 -1.80 -0.31 0.00 1.00 0.00 0.00 64.86 63.46 1vsy h ILE 400 Cb 0.91 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1vsy h ILE 400 CO 0.48 0.57 -2.08 0.00 0.00 0.00 0.00 178.15 177.13 1vsy n HIS 401 N -3.97 0.00 -3.95 1.37 1.44 -1.26 -4.93 115.22 103.92 1vsy n HIS 401 Ca -0.04 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.34 1vsy n HIS 401 Cb 0.63 -0.71 -0.14 0.00 0.12 0.00 0.00 29.99 29.90 1vsy n HIS 401 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1vsy s SER 402 N -6.36 4.88 0.51 4.39 1.04 -1.26 -5.10 113.70 111.80 1vsy s SER 402 Ca -0.26 -2.05 0.02 0.00 0.48 0.00 0.00 55.95 54.13 1vsy s SER 402 Cb 0.09 -1.68 0.02 0.00 0.10 0.00 0.00 66.02 64.55 1vsy s SER 402 CO 0.38 -0.41 0.72 -0.54 0.98 0.00 0.00 173.24 174.37 1vsy s LYS 403 N 0.99 2.73 0.13 4.02 1.02 -1.26 -2.39 119.74 124.98 1vsy s LYS 403 Ca 0.09 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1vsy s LYS 403 Cb -0.20 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.47 1vsy s LYS 403 CO -0.07 -0.53 1.30 0.97 -0.92 0.00 0.00 175.35 176.10 1vsy h ILE 404 N 0.23 1.40 0.00 2.17 2.10 -1.93 -3.06 117.51 118.43 1vsy h ILE 404 Ca -0.43 -2.46 0.00 0.00 1.08 0.00 0.00 64.86 63.04 1vsy h ILE 404 Cb 1.28 2.43 0.00 0.00 -1.09 0.00 0.00 36.82 39.45 1vsy h ILE 404 CO 0.53 0.74 0.00 2.30 -1.08 0.00 0.00 178.15 180.64 1vsy n ILE 405 N -3.74 1.47 0.27 2.19 -5.35 -1.26 -0.49 119.36 112.45 1vsy n ILE 405 Ca -0.07 0.37 0.13 0.00 -0.27 0.00 0.00 62.75 62.91 1vsy n ILE 405 Cb 0.84 -1.30 0.82 0.00 -1.74 0.00 0.00 39.64 38.26 1vsy n ILE 405 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1vsy h ASP 406 N 0.00 0.00 0.00 7.28 5.19 -1.94 -2.68 116.42 124.28 1vsy h ASP 406 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1vsy h ASP 406 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1vsy h ASP 406 CO 0.00 0.00 -0.03 -1.22 -3.12 0.00 0.00 179.24 174.87 1vsy n TYR 407 N -4.09 0.00 0.27 4.55 4.02 0.36 -4.37 117.16 117.90 1vsy n TYR 407 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.70 1vsy n TYR 407 Cb 0.11 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.34 1vsy n TYR 407 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1vsy h PHE 408 N 2.67 -0.62 0.00 -0.72 0.05 -1.63 -2.97 116.94 113.72 1vsy h PHE 408 Ca 0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1vsy h PHE 408 Cb 0.59 0.21 0.00 0.00 2.00 0.00 0.00 35.95 38.75 1vsy h PHE 408 CO 0.00 -0.38 0.40 -1.35 -0.18 0.00 0.00 178.31 176.80 1vsy h PRO 409 N -0.65 0.00 0.03 1.51 0.11 -1.81 0.72 132.00 131.92 1vsy h PRO 409 Ca -0.06 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.78 1vsy h PRO 409 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1vsy h PRO 409 CO 0.09 0.00 -1.44 0.35 -0.21 0.00 0.00 178.00 176.79 1vsy h PHE 410 N 0.00 0.12 -0.24 0.65 3.57 -1.83 -3.31 116.94 115.90 1vsy h PHE 410 Ca 0.00 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 1vsy h PHE 410 Cb 0.80 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1vsy h PHE 410 CO 0.00 1.11 -0.31 0.00 -2.23 0.00 0.00 178.31 176.88 1vsy n TYR 412 N -4.29 0.00 -0.06 0.00 4.02 -1.02 -1.94 117.16 113.87 1vsy n TYR 412 Ca -0.05 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.90 57.71 1vsy n TYR 412 Cb 0.48 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 1vsy n TYR 412 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1vsy n SER 413 N 0.19 3.00 0.00 7.72 2.88 -0.98 -4.72 113.62 121.71 1vsy n SER 413 Ca 0.00 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1vsy n SER 413 Cb 0.20 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vsy n SER 413 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1vsy n ILE 414 N -2.87 0.00 -1.07 2.46 5.41 -0.98 -4.13 119.36 118.18 1vsy n ILE 414 Ca -0.22 0.70 -0.34 0.00 1.00 0.00 0.00 62.75 63.89 1vsy n ILE 414 Cb 0.73 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1vsy n ILE 414 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 176.55 178.42 1vsy n TRP 415 N -1.50 -2.18 -0.84 1.39 -0.00 -0.82 -0.40 117.44 113.09 1vsy n TRP 415 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.94 1vsy n TRP 415 Cb 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.86 1vsy n TRP 415 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1vsy n SER 416 N 2.05 -1.01 -0.02 5.87 3.41 -1.26 -4.59 113.62 118.08 1vsy n SER 416 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1vsy n SER 416 Cb 0.37 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.09 1vsy n SER 416 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vsy n SER 417 N -0.10 3.37 -4.88 4.04 7.64 0.47 -5.01 113.62 119.15 1vsy n SER 417 Ca 0.00 -0.01 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 1vsy n SER 417 Cb 0.05 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1vsy n SER 417 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1vsy s VAL 418 N -2.06 5.03 0.80 0.44 1.01 -1.17 -5.11 120.40 119.35 1vsy s VAL 418 Ca -0.04 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1vsy s VAL 418 Cb 0.01 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1vsy s VAL 418 CO 0.07 0.01 1.11 -0.94 0.00 0.00 0.00 175.10 175.35 1vsy s SER 419 N -2.31 4.51 -0.45 3.32 1.04 -1.26 -4.84 113.70 113.70 1vsy s SER 419 Ca 0.43 1.17 -0.45 0.00 0.48 0.00 0.00 55.95 57.58 1vsy s SER 419 Cb -0.12 -1.86 -0.19 0.00 0.10 0.00 0.00 66.02 63.95 1vsy s SER 419 CO 0.22 -1.94 1.73 0.00 0.98 0.00 0.00 173.24 174.23 1vsy n ALA 420 N -3.40 -0.80 -3.46 5.32 0.00 -1.26 -4.91 120.51 112.00 1vsy n ALA 420 Ca 0.07 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 1vsy n ALA 420 Cb 0.57 -2.03 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 1vsy n ALA 420 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vsy s ASN 421 N 3.72 1.83 0.61 0.00 3.84 -1.26 -4.94 114.94 118.74 1vsy s ASN 421 Ca 1.06 -0.60 0.31 0.00 0.21 0.00 0.00 52.86 53.84 1vsy s ASN 421 Cb -1.39 0.32 1.78 0.00 -0.55 0.00 0.00 41.25 41.41 1vsy s ASN 421 CO 0.75 -0.37 2.13 1.62 -2.79 0.00 0.00 177.10 178.44 1vsy h VAL 422 N 6.31 0.35 0.00 -5.21 3.04 -1.91 0.46 116.25 119.29 1vsy h VAL 422 Ca -0.16 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1vsy h VAL 422 Cb 1.10 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1vsy h VAL 422 CO 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.89 1vsy h ALA 423 N 1.77 1.00 0.00 3.17 0.00 -1.95 -3.20 119.26 120.05 1vsy h ALA 423 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vsy h ALA 423 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vsy h ALA 423 CO -0.00 0.00 -0.11 -0.89 0.00 0.00 0.00 179.25 178.25 1vsy n ILE 424 N -2.39 0.79 -0.38 0.00 5.41 0.14 -4.83 119.36 118.10 1vsy n ILE 424 Ca 0.01 0.26 -0.02 0.00 1.00 0.00 0.00 62.75 63.99 1vsy n ILE 424 Cb 0.17 -1.48 0.03 0.00 -0.71 0.00 0.00 39.64 37.65 1vsy n ILE 424 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1vsy h ASP 425 N -0.11 -1.50 -1.39 4.38 5.19 -1.22 0.14 116.42 121.91 1vsy h ASP 425 Ca 0.00 0.31 0.40 0.00 -0.62 0.00 0.00 57.03 57.12 1vsy h ASP 425 Cb 0.11 0.77 -0.06 0.00 0.18 0.00 0.00 39.33 40.34 1vsy h ASP 425 CO 0.00 -0.28 1.14 0.74 -3.12 0.00 0.00 179.24 177.72 1vsy h THR 426 N -0.01 0.13 0.10 0.35 2.02 -1.78 0.38 112.91 114.11 1vsy h THR 426 Ca 0.33 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.18 1vsy h THR 426 Cb 0.58 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1vsy h THR 426 CO -0.98 0.00 -1.72 0.45 0.37 0.00 0.00 175.52 173.64 1vsy h HIS 427 N 0.00 0.40 -0.14 3.16 3.86 -1.25 -3.00 115.15 118.18 1vsy h HIS 427 Ca 0.66 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1vsy h HIS 427 Cb 2.94 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 31.39 1vsy h HIS 427 CO 0.00 1.45 0.07 0.52 0.86 0.00 0.00 177.93 180.83 1vsy h MET 428 N 0.06 0.19 -0.58 2.45 2.07 -0.26 -2.28 114.93 116.59 1vsy h MET 428 Ca -0.31 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.25 1vsy h MET 428 Cb 2.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 31.70 1vsy h MET 428 CO 0.13 0.25 0.19 1.88 1.07 0.00 0.00 176.91 180.42 1vsy h TYR 429 N 0.10 0.88 0.00 -0.22 -1.99 -1.46 -2.52 116.97 111.76 1vsy h TYR 429 Ca 0.05 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 1vsy h TYR 429 Cb 0.11 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1vsy h TYR 429 CO -0.03 0.70 -0.25 0.22 -0.00 0.00 0.00 178.16 178.81 1vsy h ASP 430 N 0.84 0.00 0.00 3.88 1.82 -1.37 -2.59 116.42 119.01 1vsy h ASP 430 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1vsy h ASP 430 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1vsy h ASP 430 CO -0.01 0.25 0.00 0.33 -1.61 0.00 0.00 179.24 178.20 1vsy n PHE 431 N -4.21 0.00 0.10 0.28 7.35 -0.87 -2.04 117.46 118.07 1vsy n PHE 431 Ca -0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1vsy n PHE 431 Cb 0.30 -0.05 0.17 0.00 0.35 0.00 0.00 39.48 40.26 1vsy n PHE 431 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1vsy n VAL 432 N -0.85 0.64 -0.12 -2.13 0.24 -0.98 -0.80 118.33 114.32 1vsy n VAL 432 Ca 0.00 0.65 -0.24 0.00 -2.04 0.00 0.00 64.34 62.72 1vsy n VAL 432 Cb 0.00 -1.65 -0.10 0.00 -1.47 0.00 0.00 33.84 30.61 1vsy n VAL 432 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vsy n GLY 433 N -1.25 -0.70 0.15 7.63 0.00 -0.97 -2.31 105.19 107.74 1vsy n GLY 433 Ca -0.00 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1vsy n GLY 433 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vsy h SER 434 N -1.00 0.00 0.13 1.61 4.64 -0.59 0.25 113.55 118.58 1vsy h SER 434 Ca -0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.63 1vsy h SER 434 Cb 1.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1vsy h SER 434 CO -0.27 0.00 -1.16 0.40 -0.87 0.00 0.00 176.83 174.93 1vsy h ILE 435 N 0.00 1.23 -0.74 0.95 2.04 -1.15 -2.89 117.51 116.96 1vsy h ILE 435 Ca 0.00 -2.46 -0.04 0.00 1.00 0.00 0.00 64.86 63.36 1vsy h ILE 435 Cb 0.42 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.38 1vsy h ILE 435 CO 0.00 0.70 0.31 -1.28 0.00 0.00 0.00 178.15 177.88 1vsy h SER 436 N -0.34 1.00 -0.91 1.72 0.87 -1.03 -1.46 113.55 113.39 1vsy h SER 436 Ca -0.24 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1vsy h SER 436 Cb 1.71 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 63.35 1vsy h SER 436 CO 0.09 0.87 0.58 0.50 -0.53 0.00 0.00 176.83 178.35 1vsy h LYS 437 N 1.07 1.07 0.43 2.24 3.64 -0.63 -2.80 116.57 121.59 1vsy h LYS 437 Ca 0.25 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1vsy h LYS 437 Cb 0.18 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1vsy h LYS 437 CO -0.02 0.71 -0.21 0.22 -2.27 0.00 0.00 179.45 177.87 1vsy h ASP 438 N 1.10 -0.49 -0.92 4.20 3.58 -1.06 -0.87 116.42 121.96 1vsy h ASP 438 Ca 0.38 0.02 0.22 0.00 0.42 0.00 0.00 57.03 58.06 1vsy h ASP 438 Cb 0.08 0.13 -0.17 0.00 1.72 0.00 0.00 39.33 41.08 1vsy h ASP 438 CO -0.14 -0.34 -0.10 0.52 -2.88 0.00 0.00 179.24 176.30 1vsy n VAL 439 N -3.62 -0.39 0.35 2.25 0.31 -0.80 -0.76 118.33 115.68 1vsy n VAL 439 Ca -0.07 2.06 -0.17 0.00 -0.01 0.00 0.00 64.34 66.15 1vsy n VAL 439 Cb 0.23 -2.94 -0.09 0.00 -0.91 0.00 0.00 33.84 30.13 1vsy n VAL 439 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1vsy h HIS 440 N 0.00 -0.80 -0.84 3.52 -0.00 -1.33 -0.79 115.15 114.90 1vsy h HIS 440 Ca 0.50 -0.02 0.20 0.00 -0.00 0.00 0.00 60.37 61.05 1vsy h HIS 440 Cb 0.93 0.27 -0.12 0.00 -0.00 0.00 0.00 27.41 28.48 1vsy h HIS 440 CO -0.58 -0.49 0.30 -0.91 -0.00 0.00 0.00 177.93 176.25 1vsy h ASN 441 N -0.90 0.19 0.01 3.26 2.35 0.10 -2.98 115.58 117.61 1vsy h ASN 441 Ca -0.09 0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 1vsy h ASN 441 Cb 0.68 0.17 0.02 0.00 0.05 0.00 0.00 38.32 39.23 1vsy h ASN 441 CO 0.15 -0.02 -0.74 0.11 -1.65 0.00 0.00 177.43 175.27 1vsy h LYS 442 N 0.34 0.48 -1.04 0.81 1.57 -0.78 -3.15 116.57 114.81 1vsy h LYS 442 Ca 0.51 -0.53 0.29 0.00 -1.87 0.00 0.00 60.65 59.05 1vsy h LYS 442 Cb 0.94 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.28 1vsy h LYS 442 CO -0.53 1.17 0.63 0.82 -0.57 0.00 0.00 179.45 180.96 1vsy h ILE 443 N 0.02 0.43 -3.63 1.86 2.04 -1.00 -3.28 117.51 113.94 1vsy h ILE 443 Ca -0.09 -0.14 -0.51 0.00 1.00 0.00 0.00 64.86 65.11 1vsy h ILE 443 Cb 1.44 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1vsy h ILE 443 CO 0.14 0.08 0.19 -0.76 0.00 0.00 0.00 178.15 177.80 1vsy s LEU 444 N -10.14 4.41 0.00 1.44 1.43 -1.14 -4.59 118.68 110.09 1vsy s LEU 444 Ca -0.10 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1vsy s LEU 444 Cb 0.28 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1vsy s LEU 444 CO 0.80 0.06 0.00 -0.24 0.23 0.00 0.00 176.35 177.19 1vsy n SER 445 N 0.92 0.00 0.00 2.29 2.88 -1.26 -4.58 113.62 113.87 1vsy n SER 445 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1vsy n SER 445 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1vsy n SER 445 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vsy n SER 446 N 0.10 0.00 -4.30 -3.46 7.64 -1.26 -4.71 113.62 107.62 1vsy n SER 446 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1vsy n SER 446 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1vsy n SER 446 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1vsy s GLU 447 N 0.00 2.91 -0.82 1.43 1.03 -1.26 -5.00 118.70 116.99 1vsy s GLU 447 Ca 0.00 -1.70 -0.23 0.00 0.03 0.00 0.00 54.97 53.07 1vsy s GLU 447 Cb 0.00 -4.23 -0.16 0.00 -0.80 0.00 0.00 34.13 28.94 1vsy s GLU 447 CO 0.00 -1.29 1.90 -2.39 -1.33 0.00 0.00 175.26 172.15 1vsy n HIS 448 N 5.19 1.92 0.00 4.83 1.44 -1.23 -4.26 115.22 123.11 1vsy n HIS 448 Ca -0.13 -1.56 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 1vsy n HIS 448 Cb 0.40 -1.90 0.00 0.00 0.12 0.00 0.00 29.99 28.62 1vsy n HIS 448 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1vsy n GLU 449 N 7.47 0.00 -2.82 -1.40 0.28 -1.26 -4.45 120.64 118.46 1vsy n GLU 449 Ca 0.48 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.33 1vsy n GLU 449 Cb 0.42 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.32 1vsy n GLU 449 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1vsy n LYS 450 N 0.00 -3.51 0.00 3.44 4.76 -1.26 -2.97 118.16 118.62 1vsy n LYS 450 Ca 0.00 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 1vsy n LYS 450 Cb 0.00 -4.78 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 1vsy n LYS 450 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1vsy n ASP 451 N -1.08 0.00 -3.43 4.39 2.03 -1.26 -4.76 116.55 112.43 1vsy n ASP 451 Ca -0.06 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.10 1vsy n ASP 451 Cb 0.57 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.87 1vsy n ASP 451 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1vsy s VAL 452 N -1.91 -0.43 -0.92 5.18 1.01 -1.16 -4.71 120.40 117.46 1vsy s VAL 452 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1vsy s VAL 452 Cb 0.00 -0.77 0.26 0.00 0.00 0.00 0.00 36.38 35.87 1vsy s VAL 452 CO 0.00 -0.22 0.94 1.33 0.00 0.00 0.00 175.10 177.15 1vsy n VAL 453 N 5.33 0.82 0.23 2.92 0.24 -1.26 -4.28 118.33 122.34 1vsy n VAL 453 Ca -0.04 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 61.76 1vsy n VAL 453 Cb 0.49 -0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.55 1vsy n VAL 453 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vsy n GLY 454 N 0.29 2.78 2.99 7.63 0.00 -1.26 -4.57 105.19 113.05 1vsy n GLY 454 Ca 0.09 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1vsy n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 455 N -0.95 1.95 0.30 1.61 -7.23 -1.26 -5.12 120.40 109.70 1vsy s VAL 455 Ca 0.16 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 1vsy s VAL 455 Cb 0.13 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 1vsy s VAL 455 CO 0.02 -0.35 0.85 -1.83 -0.31 0.00 0.00 175.10 173.48 1vsy s GLU 456 N 1.13 4.37 0.00 4.82 -1.05 -1.26 -5.05 118.70 121.66 1vsy s GLU 456 Ca 0.02 1.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 1vsy s GLU 456 Cb -0.19 -2.73 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 1vsy s GLU 456 CO -0.09 0.28 0.00 0.34 0.95 0.00 0.00 175.26 176.74 1vsy n PHE 457 N 0.41 0.00 -0.10 4.83 7.35 -1.26 -4.57 117.46 124.12 1vsy n PHE 457 Ca 0.01 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 1vsy n PHE 457 Cb 0.51 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.34 1vsy n PHE 457 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1vsy n GLY 458 N 4.09 -2.15 0.00 7.13 0.00 -1.25 -4.41 105.19 108.60 1vsy n GLY 458 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1vsy n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsy n GLU 459 N -2.51 0.00 -3.90 1.61 1.02 -1.26 -1.63 120.64 113.97 1vsy n GLU 459 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1vsy n GLU 459 Cb 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.34 1vsy n GLU 459 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1vsy s PHE 460 N -0.59 3.45 0.00 -0.32 2.99 -1.26 -4.28 117.98 117.97 1vsy s PHE 460 Ca 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 56.93 53.68 1vsy s PHE 460 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 43.02 40.22 1vsy s PHE 460 CO 0.00 -0.64 0.00 0.41 -0.00 0.00 0.00 175.22 174.99 1vsy n GLY 461 N 2.44 1.44 0.72 4.36 0.00 0.17 -0.34 105.19 113.98 1vsy n GLY 461 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1vsy n GLY 461 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vsy n ILE 462 N 0.00 0.63 -3.86 -0.61 -5.35 -1.26 -3.95 119.36 104.95 1vsy n ILE 462 Ca 0.00 -0.46 -0.35 0.00 -0.27 0.00 0.00 62.75 61.67 1vsy n ILE 462 Cb 0.00 0.03 -0.05 0.00 -1.74 0.00 0.00 39.64 37.88 1vsy n ILE 462 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1vsy s PHE 463 N -1.63 3.57 1.28 4.28 0.40 0.54 -5.07 117.98 121.36 1vsy s PHE 463 Ca 0.21 0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 56.81 1vsy s PHE 463 Cb 0.13 -1.90 0.29 0.00 0.51 0.00 0.00 43.02 42.05 1vsy s PHE 463 CO 0.12 0.67 0.69 2.41 0.70 0.00 0.00 175.22 179.81 1vsy n THR 464 N 1.27 0.00 -0.09 0.64 -1.04 -1.26 -4.60 114.28 109.20 1vsy n THR 464 Ca -0.13 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 1vsy n THR 464 Cb 0.53 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 68.17 1vsy n THR 464 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1vsy h ASP 465 N -3.11 0.98 1.22 8.00 3.58 -1.99 -2.89 116.42 122.21 1vsy h ASP 465 Ca -0.43 -0.51 -0.15 0.00 0.42 0.00 0.00 57.03 56.36 1vsy h ASP 465 Cb 1.21 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1vsy h ASP 465 CO 0.29 1.30 -0.80 0.44 -2.88 0.00 0.00 179.24 177.58 1vsy h ASP 466 N 0.69 0.00 -0.43 2.28 3.32 -1.98 -1.98 116.42 118.32 1vsy h ASP 466 Ca 0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1vsy h ASP 466 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1vsy h ASP 466 CO 0.11 0.68 -0.02 1.56 -1.72 0.00 0.00 179.24 179.86 1vsy h GLN 467 N 0.00 0.77 0.21 3.56 4.20 -1.90 -1.28 115.11 120.67 1vsy h GLN 467 Ca -0.03 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1vsy h GLN 467 Cb 1.55 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1vsy h GLN 467 CO 0.08 0.85 -0.10 1.98 -0.67 0.00 0.00 178.83 180.97 1vsy h MET 468 N 0.61 -0.27 -0.95 1.46 4.05 -1.51 -2.78 114.93 115.54 1vsy h MET 468 Ca 0.12 0.02 0.27 0.00 -0.28 0.00 0.00 59.70 59.83 1vsy h MET 468 Cb 0.51 0.06 -0.17 0.00 -0.80 0.00 0.00 31.60 31.21 1vsy h MET 468 CO 0.03 0.09 0.12 1.15 0.23 0.00 0.00 176.91 178.53 1vsy h THR 469 N -0.71 0.11 -0.14 -0.77 2.02 -1.38 -1.87 112.91 110.17 1vsy h THR 469 Ca -0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1vsy h THR 469 Cb 0.49 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1vsy h THR 469 CO 0.05 0.01 0.03 0.15 0.37 0.00 0.00 175.52 176.13 1vsy h PHE 470 N 0.06 0.23 0.00 3.16 3.57 -1.11 -2.80 116.94 120.04 1vsy h PHE 470 Ca 0.60 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 62.03 1vsy h PHE 470 Cb 1.26 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1vsy h PHE 470 CO -0.39 0.38 -0.21 0.52 -2.23 0.00 0.00 178.31 176.38 1vsy h MET 471 N 0.02 0.00 0.38 1.11 2.86 -1.09 -2.94 114.93 115.27 1vsy h MET 471 Ca 0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1vsy h MET 471 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1vsy h MET 471 CO 0.00 0.21 -0.18 0.74 1.06 0.00 0.00 176.91 178.74 1vsy h PHE 472 N 0.00 -0.47 -1.11 -0.22 -1.00 -1.27 -2.52 116.94 110.35 1vsy h PHE 472 Ca -0.00 -0.01 -0.66 0.00 2.81 0.00 0.00 57.97 60.10 1vsy h PHE 472 Cb 0.43 0.15 -0.10 0.00 3.61 0.00 0.00 35.95 40.04 1vsy h PHE 472 CO 0.00 -0.14 1.87 1.21 -1.61 0.00 0.00 178.31 179.64 1vsy s ASN 473 N -4.96 6.75 0.00 2.17 2.47 -1.07 -1.17 114.94 119.13 1vsy s ASN 473 Ca -0.14 -2.19 0.00 0.00 0.42 0.00 0.00 52.86 50.94 1vsy s ASN 473 Cb 0.02 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1vsy s ASN 473 CO 0.53 -1.23 0.00 -1.14 -3.72 0.00 0.00 177.10 171.54 1vsy n ARG 474 N 8.22 0.00 -0.02 0.43 3.00 -1.24 -4.77 116.66 122.28 1vsy n ARG 474 Ca 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 58.13 1vsy n ARG 474 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.90 1vsy n ARG 474 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1vsy h LEU 475 N 0.00 0.84 -0.47 6.15 5.85 -1.03 -1.19 115.31 125.46 1vsy h LEU 475 Ca 0.00 -0.52 -0.14 0.00 0.84 0.00 0.00 57.88 58.06 1vsy h LEU 475 Cb 0.00 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1vsy h LEU 475 CO 0.00 1.30 -0.24 0.06 -0.34 0.00 0.00 178.44 179.22 1vsy h GLN 476 N 0.52 1.00 -0.97 1.25 -0.00 -1.41 -2.04 115.11 113.45 1vsy h GLN 476 Ca -0.03 -0.44 0.11 0.00 -0.00 0.00 0.00 58.65 58.29 1vsy h GLN 476 Cb 1.30 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.48 28.68 1vsy h GLN 476 CO 0.14 1.12 0.62 0.78 -0.00 0.00 0.00 178.83 181.49 1vsy h GLY 477 N 0.85 1.51 1.45 0.06 0.00 -1.79 -1.45 103.07 103.71 1vsy h GLY 477 Ca 0.10 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1vsy h GLY 477 CO 0.07 0.19 -0.59 0.45 0.00 0.00 0.00 176.54 176.67 1vsy h HIS 478 N 0.97 0.72 0.00 5.60 3.86 -0.71 -0.35 115.15 125.24 1vsy h HIS 478 Ca 0.47 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1vsy h HIS 478 Cb 0.45 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1vsy h HIS 478 CO -0.00 1.01 -0.70 1.28 0.86 0.00 0.00 177.93 180.38 1vsy n LEU 479 N -3.94 0.61 -0.00 2.43 4.77 -0.81 -1.30 117.00 118.75 1vsy n LEU 479 Ca -0.04 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1vsy n LEU 479 Cb 0.63 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1vsy n LEU 479 CO 0.48 0.07 -0.53 0.54 -1.33 0.00 0.00 177.39 176.62 1vsy n ARG 480 N -1.76 0.72 0.07 3.23 1.74 -0.59 -4.82 116.66 115.25 1vsy n ARG 480 Ca 0.04 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1vsy n ARG 480 Cb 0.38 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1vsy n ARG 480 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1vsy n THR 481 N -1.65 0.20 0.16 0.55 -1.04 -0.60 -4.99 114.28 106.91 1vsy n THR 481 Ca -0.01 0.07 0.03 0.00 -2.04 0.00 0.00 64.05 62.10 1vsy n THR 481 Cb 0.14 -0.79 0.05 0.00 -1.82 0.00 0.00 70.33 67.91 1vsy n THR 481 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1vsy n ASP 482 N -3.15 1.89 -3.26 8.00 3.85 -0.24 -5.01 116.55 118.63 1vsy n ASP 482 Ca 0.00 -1.51 -0.23 0.00 -0.71 0.00 0.00 54.79 52.33 1vsy n ASP 482 Cb 0.06 -0.05 -0.04 0.00 -1.35 0.00 0.00 41.12 39.74 1vsy n ASP 482 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vsy n GLY 483 N 0.31 -0.31 3.30 6.12 0.00 -0.42 -4.86 105.19 109.34 1vsy n GLY 483 Ca 0.05 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1vsy n GLY 483 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vsy n GLN 484 N -2.75 3.65 -3.78 1.61 -0.06 -1.26 -4.99 117.38 109.81 1vsy n GLN 484 Ca 0.07 -4.46 -0.13 0.00 -2.00 0.00 0.00 57.00 50.48 1vsy n GLN 484 Cb 0.33 -2.55 -0.11 0.00 -4.06 0.00 0.00 30.24 23.85 1vsy n GLN 484 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1vsy s ILE 485 N -1.43 0.02 0.30 1.69 1.01 -1.26 -4.46 121.20 117.06 1vsy s ILE 485 Ca 0.31 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1vsy s ILE 485 Cb -0.08 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1vsy s ILE 485 CO -0.06 -0.08 0.14 -1.38 0.00 0.00 0.00 174.94 173.56 1vsy s HIS 486 N -0.23 1.60 0.00 3.97 -3.43 -1.26 -4.94 115.29 111.00 1vsy s HIS 486 Ca -0.04 -1.31 0.00 0.00 -0.80 0.00 0.00 55.06 52.92 1vsy s HIS 486 Cb -0.03 -0.90 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1vsy s HIS 486 CO 0.01 -0.45 0.00 0.45 -2.00 0.00 0.00 174.74 172.75 1vsy n SER 487 N -0.82 0.00 0.26 7.38 2.88 -1.26 -4.68 113.62 117.38 1vsy n SER 487 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1vsy n SER 487 Cb 0.65 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.65 1vsy n SER 487 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1vsy h TYR 488 N 0.00 0.00 -1.03 0.66 -1.99 -1.92 -2.92 116.97 109.77 1vsy h TYR 488 Ca 0.00 0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.99 1vsy h TYR 488 Cb 0.00 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.62 1vsy h TYR 488 CO 0.00 0.00 0.63 0.66 -0.00 0.00 0.00 178.16 179.45 1vsy h SER 489 N 0.00 0.57 0.49 3.88 4.64 -1.86 -0.61 113.55 120.66 1vsy h SER 489 Ca 0.00 0.12 -0.25 0.00 -0.47 0.00 0.00 61.79 61.18 1vsy h SER 489 Cb 0.65 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1vsy h SER 489 CO 0.00 0.09 -1.11 -0.09 -0.87 0.00 0.00 176.83 174.85 1vsy h ARG 490 N 0.49 0.34 0.00 4.77 2.43 -1.82 -3.28 114.38 117.32 1vsy h ARG 490 Ca 0.63 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1vsy h ARG 490 Cb 1.38 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1vsy h ARG 490 CO -0.41 1.17 0.00 1.15 -1.51 0.00 0.00 179.97 180.37 1vsy h THR 491 N 0.14 0.00 0.00 0.20 2.02 -1.27 -3.26 112.91 110.75 1vsy h THR 491 Ca -0.11 -0.90 -0.23 0.00 0.77 0.00 0.00 66.41 65.93 1vsy h THR 491 Cb 1.79 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 70.06 1vsy h THR 491 CO 0.19 0.00 -1.45 0.58 0.37 0.00 0.00 175.52 175.20 1vsy h VAL 492 N 0.00 0.88 -0.58 3.16 2.07 -1.40 -3.41 116.25 116.96 1vsy h VAL 492 Ca 0.00 -2.58 0.05 0.00 0.82 0.00 0.00 66.70 64.99 1vsy h VAL 492 Cb 0.91 2.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.98 1vsy h VAL 492 CO 0.00 0.50 -0.39 0.11 0.02 0.00 0.00 177.57 177.81 1vsy h LYS 493 N 0.00 -0.06 -1.11 1.57 1.57 -1.61 -0.96 116.57 115.97 1vsy h LYS 493 Ca -0.20 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 58.92 1vsy h LYS 493 Cb 1.82 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 34.03 1vsy h LYS 493 CO 0.08 -0.04 0.70 -1.35 -0.57 0.00 0.00 179.45 178.26 1vsy h PRO 494 N -0.06 0.29 -0.01 3.15 0.11 -1.79 0.64 132.00 134.33 1vsy h PRO 494 Ca 0.09 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.95 1vsy h PRO 494 Cb 0.30 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.37 1vsy h PRO 494 CO -0.58 0.19 -0.93 0.74 -0.21 0.00 0.00 178.00 177.21 1vsy h PHE 495 N 0.30 0.95 0.05 0.65 -1.00 -1.47 -3.04 116.94 113.37 1vsy h PHE 495 Ca 0.70 -0.51 -0.00 0.00 2.81 0.00 0.00 57.97 60.96 1vsy h PHE 495 Cb 1.85 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.30 1vsy h PHE 495 CO -0.01 1.35 -0.02 0.28 -1.61 0.00 0.00 178.31 178.30 1vsy h VAL 496 N 0.29 1.09 -0.39 -0.55 2.07 -0.70 -3.22 116.25 114.84 1vsy h VAL 496 Ca -0.11 -0.45 -0.24 0.00 0.82 0.00 0.00 66.70 66.72 1vsy h VAL 496 Cb 1.60 1.39 -0.12 0.00 -1.52 0.00 0.00 31.29 32.64 1vsy h VAL 496 CO 0.18 0.11 0.30 -1.22 0.02 0.00 0.00 177.57 176.97 1vsy n TYR 497 N -5.02 1.25 -0.26 1.57 4.02 0.04 -2.61 117.16 116.15 1vsy n TYR 497 Ca -0.08 -1.41 0.00 0.00 -0.01 0.00 0.00 57.90 56.40 1vsy n TYR 497 Cb 0.14 -0.70 0.00 0.00 -0.02 0.00 0.00 39.34 38.76 1vsy n TYR 497 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vsy n ALA 498 N 0.19 1.85 -2.14 -0.72 0.00 -1.15 -4.63 120.51 113.90 1vsy n ALA 498 Ca 0.24 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1vsy n ALA 498 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 1vsy n ALA 498 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vsy s ILE 499 N -0.07 4.24 -0.25 0.00 1.01 -1.07 0.43 121.20 125.49 1vsy s ILE 499 Ca 0.00 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.59 1vsy s ILE 499 Cb 0.00 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.31 1vsy s ILE 499 CO 0.00 0.32 -0.08 0.21 0.00 0.00 0.00 174.94 175.40 1vsy s ASN 500 N -0.16 4.17 0.60 3.58 3.84 -1.26 -4.79 114.94 120.91 1vsy s ASN 500 Ca 0.47 -1.32 0.29 0.00 0.21 0.00 0.00 52.86 52.51 1vsy s ASN 500 Cb -0.26 -1.37 1.25 0.00 -0.55 0.00 0.00 41.25 40.32 1vsy s ASN 500 CO 0.32 -0.22 1.62 1.23 -2.79 0.00 0.00 177.10 177.26 1vsy h GLY 501 N 7.86 0.00 -0.27 1.21 0.00 -1.39 0.32 103.07 110.80 1vsy h GLY 501 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1vsy h GLY 501 CO 0.44 0.00 -0.42 -1.14 0.00 0.00 0.00 176.54 175.42 1vsy n SER 502 N -3.51 0.94 -2.66 0.19 3.41 -0.93 -4.53 113.62 106.53 1vsy n SER 502 Ca 0.16 -0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 57.71 1vsy n SER 502 Cb 1.11 0.75 0.03 0.00 -0.26 0.00 0.00 64.21 65.84 1vsy n SER 502 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsy n LYS 503 N -0.77 1.41 0.00 4.33 5.02 0.90 -5.00 118.16 124.05 1vsy n LYS 503 Ca 0.04 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 52.94 1vsy n LYS 503 Cb 0.22 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1vsy n LYS 503 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1vsy n LYS 504 N -0.17 0.00 0.00 1.97 2.85 0.15 -4.27 118.16 118.70 1vsy n LYS 504 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1vsy n LYS 504 Cb 0.81 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 1vsy n LYS 504 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1vsy n ASP 505 N 0.00 0.00 0.18 -5.58 8.00 -1.26 -0.33 116.55 117.56 1vsy n ASP 505 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1vsy n ASP 505 Cb 0.00 0.00 0.81 0.00 -0.02 0.00 0.00 41.12 41.91 1vsy n ASP 505 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1vsy h ARG 506 N 0.00 0.00 0.00 -1.24 2.47 -1.93 0.11 114.38 113.78 1vsy h ARG 506 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1vsy h ARG 506 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1vsy h ARG 506 CO 0.00 0.00 -0.47 0.35 0.56 0.00 0.00 179.97 180.41 1vsy h PHE 507 N 0.00 0.00 -0.76 3.04 3.57 -0.95 -3.29 116.94 118.55 1vsy h PHE 507 Ca 0.11 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.83 1vsy h PHE 507 Cb 0.73 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1vsy h PHE 507 CO 0.00 0.63 0.58 0.74 -2.23 0.00 0.00 178.31 178.03 1vsy h PHE 508 N -1.00 0.00 -0.36 0.41 -1.00 -1.65 0.98 116.94 114.32 1vsy h PHE 508 Ca -0.09 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 1vsy h PHE 508 Cb 0.71 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.25 1vsy h PHE 508 CO 0.03 0.00 0.11 1.49 -1.61 0.00 0.00 178.31 178.34 1vsy h GLU 509 N 0.00 0.52 0.00 1.51 4.81 -0.92 -0.23 114.58 120.27 1vsy h GLU 509 Ca 0.36 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.31 1vsy h GLU 509 Cb 1.51 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1vsy h GLU 509 CO -0.00 0.46 -1.12 0.87 -0.73 0.00 0.00 179.01 178.49 1vsy h LYS 510 N 0.52 0.00 0.07 1.92 1.57 0.85 -3.17 116.57 118.33 1vsy h LYS 510 Ca 0.12 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.63 1vsy h LYS 510 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 1vsy h LYS 510 CO -0.01 0.73 -1.14 1.25 -0.57 0.00 0.00 179.45 179.71 1vsy h LEU 511 N 0.00 0.76 -0.30 2.94 6.46 -0.81 -3.00 115.31 121.36 1vsy h LEU 511 Ca -0.09 -0.67 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1vsy h LEU 511 Cb 1.75 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 1vsy h LEU 511 CO 0.10 1.48 0.16 0.58 -0.62 0.00 0.00 178.44 180.14 1vsy h VAL 512 N 0.27 1.14 0.00 1.05 2.07 -1.13 -0.85 116.25 118.80 1vsy h VAL 512 Ca -0.15 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1vsy h VAL 512 Cb 1.80 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1vsy h VAL 512 CO 0.21 0.15 -0.10 0.77 0.02 0.00 0.00 177.57 178.62 1vsy h SER 513 N 0.36 0.00 0.96 0.57 4.64 -1.62 -0.16 113.55 118.30 1vsy h SER 513 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 1vsy h SER 513 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1vsy h SER 513 CO -0.01 0.10 -0.85 0.25 -0.87 0.00 0.00 176.83 175.44 1vsy h LEU 514 N 0.00 0.00 -0.16 5.97 7.12 -1.30 -2.70 115.31 124.24 1vsy h LEU 514 Ca -0.00 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.79 1vsy h LEU 514 Cb 0.47 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1vsy h LEU 514 CO 0.01 0.85 -0.97 0.00 -0.13 0.00 0.00 178.44 178.20 1vsy h ALA 515 N 1.15 0.40 0.00 1.25 0.00 0.04 -2.94 119.26 119.16 1vsy h ALA 515 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1vsy h ALA 515 Cb 1.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1vsy h ALA 515 CO 0.11 0.93 -0.11 0.87 0.00 0.00 0.00 179.25 181.05 1vsy h LYS 516 N 0.12 0.00 0.15 0.00 6.56 -1.10 -0.87 116.57 121.43 1vsy h LYS 516 Ca -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1vsy h LYS 516 Cb 1.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.29 1vsy h LYS 516 CO 0.15 0.11 -0.07 0.00 -2.06 0.00 0.00 179.45 177.58 1vsy h ALA 517 N 1.89 -0.22 0.00 3.86 0.00 -1.53 -3.29 119.26 119.97 1vsy h ALA 517 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vsy h ALA 517 Cb 0.81 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vsy h ALA 517 CO 0.01 -0.20 0.29 0.82 0.00 0.00 0.00 179.25 180.17 1vsy h ILE 518 N -0.96 0.00 -0.44 0.00 5.03 -1.56 -3.35 117.51 116.22 1vsy h ILE 518 Ca -0.02 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.81 1vsy h ILE 518 Cb 0.15 0.55 -0.10 0.00 -3.03 0.00 0.00 36.82 34.40 1vsy h ILE 518 CO 0.03 0.00 -0.31 -0.33 -0.68 0.00 0.00 178.15 176.86 1vsy h GLU 519 N 0.00 -0.21 -0.08 2.37 4.39 -1.23 -2.32 114.58 117.51 1vsy h GLU 519 Ca 0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1vsy h GLU 519 Cb 0.58 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1vsy h GLU 519 CO 0.00 -0.14 -0.30 1.79 -1.16 0.00 0.00 179.01 179.20 1vsy h THR 520 N -0.22 1.25 0.00 1.13 1.35 -1.83 -3.03 112.91 111.56 1vsy h THR 520 Ca 0.19 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1vsy h THR 520 Cb 0.53 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1vsy h THR 520 CO -0.57 0.35 0.00 0.49 -0.25 0.00 0.00 175.52 175.54 1vsy n PHE 521 N -4.14 0.14 -0.02 4.73 0.99 -0.88 -2.33 117.46 115.96 1vsy n PHE 521 Ca -0.01 0.05 -0.07 0.00 -0.00 0.00 0.00 57.45 57.41 1vsy n PHE 521 Cb 0.38 -0.58 -0.13 0.00 -1.00 0.00 0.00 39.48 38.15 1vsy n PHE 521 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1vsy n ILE 522 N -1.62 1.53 -1.32 4.37 -0.00 -1.14 -4.72 119.36 116.45 1vsy n ILE 522 Ca 0.05 -0.78 -0.50 0.00 -0.00 0.00 0.00 62.75 61.51 1vsy n ILE 522 Cb 0.25 -0.96 -0.06 0.00 -0.00 0.00 0.00 39.64 38.87 1vsy n ILE 522 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1vsy n HIS 523 N -3.00 0.29 0.32 1.39 -0.00 -0.99 -4.33 115.22 108.90 1vsy n HIS 523 Ca -0.16 0.93 0.19 0.00 0.46 0.00 0.00 57.72 59.13 1vsy n HIS 523 Cb 1.02 -1.85 0.98 0.00 -0.12 0.00 0.00 29.99 30.03 1vsy n HIS 523 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1vsy h PRO 524 N 2.18 0.00 -0.80 1.57 0.11 -1.91 -0.81 132.00 132.34 1vsy h PRO 524 Ca -0.40 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.13 1vsy h PRO 524 Cb 1.29 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 32.00 1vsy h PRO 524 CO 0.56 0.00 -0.42 -1.13 -0.21 0.00 0.00 178.00 176.81 1vsy n SER 525 N -3.09 5.55 -2.63 -2.05 3.41 -1.26 -4.24 113.62 109.32 1vsy n SER 525 Ca -0.02 -3.76 -0.15 0.00 -0.26 0.00 0.00 58.87 54.68 1vsy n SER 525 Cb 0.25 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1vsy n SER 525 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vsy n ASN 526 N -0.76 2.43 -4.78 4.04 3.02 -0.31 -5.11 115.26 113.78 1vsy n ASN 526 Ca 0.48 -3.03 -0.36 0.00 -0.03 0.00 0.00 54.58 51.63 1vsy n ASN 526 Cb 0.90 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1vsy n ASN 526 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1vsy s ASN 527 N -3.22 6.50 0.00 6.41 -0.87 -1.26 -4.84 114.94 117.65 1vsy s ASN 527 Ca 0.34 2.13 0.00 0.00 -1.57 0.00 0.00 52.86 53.76 1vsy s ASN 527 Cb 0.44 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1vsy s ASN 527 CO -0.04 -0.68 0.00 0.61 -2.57 0.00 0.00 177.10 174.43 1vsy n GLY 528 N 0.33 1.56 0.08 0.66 0.00 -1.26 -4.99 105.19 101.57 1vsy n GLY 528 Ca 0.06 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.48 1vsy n GLY 528 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vsy n PHE 529 N 0.00 0.49 -0.01 1.61 1.16 -1.26 -3.18 117.46 116.27 1vsy n PHE 529 Ca 0.00 0.19 -0.01 0.00 -1.87 0.00 0.00 57.45 55.77 1vsy n PHE 529 Cb 0.00 -0.81 -0.12 0.00 -1.61 0.00 0.00 39.48 36.94 1vsy n PHE 529 CO 0.00 0.00 0.00 -2.67 -1.87 0.00 0.00 176.76 172.22 1vsy n TRP 530 N -1.95 0.56 0.26 2.97 2.14 -1.26 -4.36 117.44 115.80 1vsy n TRP 530 Ca 0.03 0.19 0.16 0.00 2.07 0.00 0.00 57.50 59.94 1vsy n TRP 530 Cb 0.21 -0.96 0.88 0.00 -0.81 0.00 0.00 31.31 30.63 1vsy n TRP 530 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1vsy h THR 531 N 0.00 0.51 0.31 -1.67 1.35 -1.83 -1.24 112.91 110.33 1vsy h THR 531 Ca -0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1vsy h THR 531 Cb 1.65 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1vsy h THR 531 CO 0.03 0.00 -0.15 0.50 -0.25 0.00 0.00 175.52 175.66 1vsy h LYS 532 N 0.00 -0.40 -0.75 4.72 3.64 -1.81 -2.95 116.57 119.03 1vsy h LYS 532 Ca 0.03 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.59 1vsy h LYS 532 Cb 0.19 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 31.96 1vsy h LYS 532 CO -0.00 -0.26 -0.17 -1.35 -2.27 0.00 0.00 179.45 175.39 1vsy h PRO 533 N -0.74 0.01 -0.73 1.90 0.11 -1.57 0.25 132.00 131.23 1vsy h PRO 533 Ca -0.04 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1vsy h PRO 533 Cb 0.32 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 1vsy h PRO 533 CO 0.07 0.00 0.48 -0.91 -0.21 0.00 0.00 178.00 177.43 1vsy h ASN 534 N 0.01 0.81 0.68 -2.05 2.35 -1.40 -1.80 115.58 114.18 1vsy h ASN 534 Ca 0.36 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1vsy h ASN 534 Cb 0.56 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1vsy h ASN 534 CO -0.76 0.58 -0.33 0.00 -1.65 0.00 0.00 177.43 175.27 1vsy h ALA 535 N 1.28 -0.92 0.00 -0.83 0.00 -1.05 -1.37 119.26 116.37 1vsy h ALA 535 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vsy h ALA 535 Cb -0.07 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vsy h ALA 535 CO -0.08 -0.86 0.19 1.63 0.00 0.00 0.00 179.25 180.14 1vsy n LYS 536 N -5.35 0.09 -0.07 0.00 5.02 0.78 -1.98 118.16 116.64 1vsy n LYS 536 Ca -0.11 0.56 -0.06 0.00 -2.02 0.00 0.00 58.31 56.68 1vsy n LYS 536 Cb 0.36 -1.99 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1vsy n LYS 536 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vsy n PHE 537 N -2.01 0.54 0.25 2.13 7.35 -0.68 -2.44 117.46 122.61 1vsy n PHE 537 Ca -0.01 0.23 0.13 0.00 -0.76 0.00 0.00 57.45 57.05 1vsy n PHE 537 Cb 0.21 -0.64 0.57 0.00 0.35 0.00 0.00 39.48 39.98 1vsy n PHE 537 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1vsy h VAL 538 N -0.93 0.06 0.00 -2.13 2.07 -1.05 0.55 116.25 114.81 1vsy h VAL 538 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1vsy h VAL 538 Cb 0.65 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1vsy h VAL 538 CO 0.00 0.00 -0.68 -0.74 0.02 0.00 0.00 177.57 176.17 1vsy h HIS 539 N 0.00 0.00 -0.98 1.57 -0.00 -1.58 -3.25 115.15 110.91 1vsy h HIS 539 Ca 0.07 0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.68 1vsy h HIS 539 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.59 1vsy h HIS 539 CO 0.00 0.59 0.65 0.00 -0.00 0.00 0.00 177.93 179.17 1vsy h ALA 540 N -0.76 2.36 -0.03 5.26 0.00 -0.67 0.16 119.26 125.58 1vsy h ALA 540 Ca -0.12 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1vsy h ALA 540 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1vsy h ALA 540 CO -0.07 -0.69 -0.28 0.35 0.00 0.00 0.00 179.25 178.56 1vsy h PHE 541 N 0.33 0.35 0.00 0.00 3.57 -0.19 -1.46 116.94 119.54 1vsy h PHE 541 Ca 0.52 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1vsy h PHE 541 Cb 1.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1vsy h PHE 541 CO -0.00 0.92 0.00 0.82 -2.23 0.00 0.00 178.31 177.82 1vsy h ILE 542 N -0.32 0.00 0.20 1.41 2.04 -1.41 -0.44 117.51 118.99 1vsy h ILE 542 Ca -0.03 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1vsy h ILE 542 Cb 0.97 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1vsy h ILE 542 CO 0.06 0.00 -0.09 0.50 0.00 0.00 0.00 178.15 178.61 1vsy h LYS 543 N 0.00 -0.25 0.00 2.37 3.64 -0.74 -3.16 116.57 118.42 1vsy h LYS 543 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1vsy h LYS 543 Cb 0.56 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1vsy h LYS 543 CO 0.00 0.11 0.00 0.45 -2.27 0.00 0.00 179.45 177.74 1vsy n SER 544 N -4.95 0.00 -0.07 4.20 2.88 -0.55 0.92 113.62 116.05 1vsy n SER 544 Ca -0.07 -0.15 -0.07 0.00 -1.33 0.00 0.00 58.87 57.26 1vsy n SER 544 Cb 0.24 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1vsy n SER 544 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsy n TYR 545 N -1.14 0.17 -0.36 0.66 9.36 -0.19 -3.79 117.16 121.87 1vsy n TYR 545 Ca 0.08 0.08 0.28 0.00 3.32 0.00 0.00 57.90 61.65 1vsy n TYR 545 Cb 0.07 -0.47 0.57 0.00 -0.63 0.00 0.00 39.34 38.87 1vsy n TYR 545 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1vsy h HIS 546 N -0.83 0.57 -0.06 2.98 2.76 -1.47 0.22 115.15 119.32 1vsy h HIS 546 Ca 0.00 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1vsy h HIS 546 Cb 0.74 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 1vsy h HIS 546 CO -0.32 -0.03 -0.48 0.78 -1.30 0.00 0.00 177.93 176.59 1vsy h GLY 547 N 0.27 -0.92 1.01 5.26 0.00 0.35 -1.92 103.07 107.12 1vsy h GLY 547 Ca 0.66 0.59 -0.03 0.00 0.00 0.00 0.00 47.33 48.55 1vsy h GLY 547 CO -0.32 -0.23 -0.30 -0.09 0.00 0.00 0.00 176.54 175.60 1vsy h ARG 548 N -0.59 -0.81 -0.82 4.80 2.43 -0.73 -3.07 114.38 115.59 1vsy h ARG 548 Ca 0.04 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.42 1vsy h ARG 548 Cb 0.68 0.18 -0.15 0.00 -0.42 0.00 0.00 29.97 30.26 1vsy h ARG 548 CO -0.37 -0.54 -0.27 0.28 -1.51 0.00 0.00 179.97 177.56 1vsy h VAL 549 N -0.85 0.13 0.00 0.20 2.07 -1.14 0.23 116.25 116.89 1vsy h VAL 549 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1vsy h VAL 549 Cb 0.65 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1vsy h VAL 549 CO 0.14 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.02 1vsy n LYS 550 N -5.51 0.40 -0.06 1.57 4.76 -0.73 -0.57 118.16 118.02 1vsy n LYS 550 Ca 0.10 0.07 -0.05 0.00 -2.87 0.00 0.00 58.31 55.56 1vsy n LYS 550 Cb 0.41 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.95 1vsy n LYS 550 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1vsy n TYR 551 N -1.18 0.29 0.09 2.13 4.19 0.67 -3.68 117.16 119.67 1vsy n TYR 551 Ca 0.11 0.10 -0.20 0.00 3.31 0.00 0.00 57.90 61.23 1vsy n TYR 551 Cb 0.12 -0.97 -0.15 0.00 0.49 0.00 0.00 39.34 38.84 1vsy n TYR 551 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1vsy h GLU 552 N 0.00 0.35 0.00 2.98 5.08 -0.50 -3.22 114.58 119.27 1vsy h GLU 552 Ca -0.37 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.38 1vsy h GLU 552 Cb 1.93 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1vsy h GLU 552 CO 0.04 1.25 0.00 0.93 -1.00 0.00 0.00 179.01 180.23 1vsy h GLU 553 N 0.10 0.00 0.00 2.33 5.08 -1.03 0.66 114.58 121.72 1vsy h GLU 553 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1vsy h GLU 553 Cb 2.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1vsy h GLU 553 CO 0.20 0.00 -0.05 0.22 -1.00 0.00 0.00 179.01 178.38 1vsy h ASP 554 N 0.00 0.00 0.15 1.42 3.58 -1.63 -3.23 116.42 116.70 1vsy h ASP 554 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1vsy h ASP 554 Cb 0.42 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 1vsy h ASP 554 CO 0.00 0.05 -2.05 -0.38 -2.88 0.00 0.00 179.24 173.98 1vsy n ILE 555 N -3.12 0.87 0.75 2.25 5.41 -0.02 -3.59 119.36 121.91 1vsy n ILE 555 Ca 0.03 -0.70 0.02 0.00 1.00 0.00 0.00 62.75 63.10 1vsy n ILE 555 Cb 0.49 -0.36 0.10 0.00 -0.71 0.00 0.00 39.64 39.16 1vsy n ILE 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vsy n ALA 557 N 0.14 4.30 -1.88 0.00 0.00 -1.22 -4.42 120.51 117.43 1vsy n ALA 557 Ca 0.07 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1vsy n ALA 557 Cb 0.41 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1vsy n ALA 557 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vsy n ARG 558 N -0.99 0.00 0.00 0.00 3.00 -0.42 -5.03 116.66 113.21 1vsy n ARG 558 Ca 0.35 -0.54 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1vsy n ARG 558 Cb 1.12 -0.30 0.00 0.00 0.00 0.00 0.00 32.46 33.28 1vsy n ARG 558 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsy n GLY 559 N 0.00 2.92 3.45 5.14 0.00 -1.22 -4.97 105.19 110.50 1vsy n GLY 559 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1vsy n GLY 559 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 560 N -1.16 4.76 0.95 1.61 1.01 -1.20 -4.97 120.40 121.40 1vsy s VAL 560 Ca 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 61.98 60.25 1vsy s VAL 560 Cb 0.00 -4.76 0.16 0.00 0.00 0.00 0.00 36.38 31.78 1vsy s VAL 560 CO 0.00 -1.48 1.15 -0.89 0.00 0.00 0.00 175.10 173.87 1vsy s THR 561 N 2.59 1.96 0.00 3.92 2.01 -1.26 -4.24 115.64 120.62 1vsy s THR 561 Ca 0.32 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1vsy s THR 561 Cb -0.05 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.73 1vsy s THR 561 CO -0.09 0.00 0.00 -3.20 -0.69 0.00 0.00 174.62 170.64 1vsy n ASN 562 N -3.89 0.00 0.00 3.53 2.85 -1.26 -5.01 115.26 111.48 1vsy n ASN 562 Ca 0.08 -0.82 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 1vsy n ASN 562 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1vsy n ASN 562 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vsy n GLY 563 N 0.00 0.00 0.17 8.20 0.00 -1.26 -4.12 105.19 108.18 1vsy n GLY 563 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1vsy n GLY 563 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1vsy h ILE 564 N 0.00 1.37 -3.47 -0.61 2.10 -1.95 -2.47 117.51 112.48 1vsy h ILE 564 Ca 0.00 -1.86 -0.54 0.00 1.08 0.00 0.00 64.86 63.54 1vsy h ILE 564 Cb 0.00 1.92 0.21 0.00 -1.09 0.00 0.00 36.82 37.86 1vsy h ILE 564 CO 0.00 0.55 -0.43 0.00 -1.08 0.00 0.00 178.15 177.19 1vsy s LEU 566 N -1.51 4.25 0.46 0.00 1.43 -1.26 -3.28 118.68 118.77 1vsy s LEU 566 Ca 0.60 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1vsy s LEU 566 Cb -0.25 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 1vsy s LEU 566 CO 0.64 -0.30 0.70 0.42 0.23 0.00 0.00 176.35 178.03 1vsy s THR 567 N 1.59 4.29 0.60 5.49 -4.23 -1.26 -4.96 115.64 117.16 1vsy s THR 567 Ca 0.41 -0.31 0.28 0.00 -1.18 0.00 0.00 61.69 60.89 1vsy s THR 567 Cb -0.18 -3.60 0.36 0.00 1.34 0.00 0.00 72.50 70.42 1vsy s THR 567 CO 0.17 -0.47 1.81 -1.28 -0.54 0.00 0.00 174.62 174.31 1vsy h SER 568 N 0.35 0.00 0.56 3.99 0.87 -1.98 -0.96 113.55 116.38 1vsy h SER 568 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1vsy h SER 568 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1vsy h SER 568 CO 0.59 0.00 -0.60 0.49 -0.53 0.00 0.00 176.83 176.78 1vsy n PHE 569 N -3.52 0.15 -0.05 2.24 3.72 -1.26 -2.71 117.46 116.03 1vsy n PHE 569 Ca 0.08 0.04 -0.14 0.00 -0.05 0.00 0.00 57.45 57.39 1vsy n PHE 569 Cb 0.74 -0.36 -0.12 0.00 -0.94 0.00 0.00 39.48 38.80 1vsy n PHE 569 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vsy h HIS 571 N -0.84 0.51 0.54 0.00 3.86 -1.60 -0.52 115.15 117.10 1vsy h HIS 571 Ca -0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1vsy h HIS 571 Cb 0.89 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.22 1vsy h HIS 571 CO 0.23 0.05 -0.26 0.93 0.86 0.00 0.00 177.93 179.74 1vsy h GLU 572 N 0.31 -0.70 0.00 2.45 5.08 -1.54 -3.16 114.58 117.01 1vsy h GLU 572 Ca 0.57 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1vsy h GLU 572 Cb 1.61 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1vsy h GLU 572 CO -0.23 -0.42 0.00 0.39 -1.00 0.00 0.00 179.01 177.75 1vsy n GLU 573 N -5.27 0.05 -0.01 2.33 1.02 -0.90 -1.88 120.64 115.97 1vsy n GLU 573 Ca -0.10 0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 57.24 1vsy n GLU 573 Cb 0.31 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1vsy n GLU 573 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1vsy h ILE 574 N 0.00 1.41 -0.39 -3.67 1.08 -1.15 -3.14 117.51 111.65 1vsy h ILE 574 Ca 0.00 -1.97 -0.03 0.00 -0.39 0.00 0.00 64.86 62.47 1vsy h ILE 574 Cb 0.20 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 1vsy h ILE 574 CO 0.00 0.58 0.12 0.58 -0.69 0.00 0.00 178.15 178.74 1vsy h VAL 575 N -0.06 1.22 -1.01 1.67 2.07 -1.34 -2.77 116.25 116.03 1vsy h VAL 575 Ca -0.06 -0.71 0.23 0.00 0.82 0.00 0.00 66.70 66.98 1vsy h VAL 575 Cb 1.22 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.83 1vsy h VAL 575 CO 0.11 0.25 0.62 -0.33 0.02 0.00 0.00 177.57 178.23 1vsy h GLU 576 N 0.48 0.59 0.26 1.57 4.39 -1.53 -2.84 114.58 117.50 1vsy h GLU 576 Ca 0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1vsy h GLU 576 Cb 0.26 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1vsy h GLU 576 CO -0.00 0.39 -0.12 0.82 -1.16 0.00 0.00 179.01 178.93 1vsy h ILE 577 N 0.61 0.10 -0.53 3.13 2.04 -1.46 -3.37 117.51 118.03 1vsy h ILE 577 Ca 0.60 -0.79 -0.23 0.00 1.00 0.00 0.00 64.86 65.43 1vsy h ILE 577 Cb 1.15 0.17 -0.14 0.00 -0.74 0.00 0.00 36.82 37.26 1vsy h ILE 577 CO -0.39 0.03 0.30 0.49 0.00 0.00 0.00 178.15 178.58 1vsy n PHE 578 N -5.00 1.67 -0.11 1.37 3.01 -1.06 -4.42 117.46 112.92 1vsy n PHE 578 Ca -0.05 -1.09 -0.24 0.00 1.01 0.00 0.00 57.45 57.08 1vsy n PHE 578 Cb 0.16 -0.59 -0.11 0.00 -0.01 0.00 0.00 39.48 38.93 1vsy n PHE 578 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1vsy n LEU 579 N -0.27 1.96 -0.18 4.37 7.94 -1.08 -2.33 117.00 127.41 1vsy n LEU 579 Ca 0.31 0.37 -0.08 0.00 -1.11 0.00 0.00 56.01 55.50 1vsy n LEU 579 Cb 1.10 -0.93 0.02 0.00 0.53 0.00 0.00 43.42 44.13 1vsy n LEU 579 CO 0.32 0.41 1.00 -1.13 -1.11 0.00 0.00 177.39 176.88 1vsy h ASN 580 N -0.91 0.65 -0.56 1.96 -0.00 -1.85 -0.18 115.58 114.68 1vsy h ASN 580 Ca -0.46 -0.12 0.08 0.00 -0.00 0.00 0.00 56.30 55.81 1vsy h ASN 580 Cb 1.45 -0.17 -0.07 0.00 -0.00 0.00 0.00 38.32 39.54 1vsy h ASN 580 CO -0.25 0.58 0.21 0.40 -0.00 0.00 0.00 177.43 178.37 1vsy h ILE 581 N 0.67 0.79 -0.12 2.57 2.04 -1.77 -0.54 117.51 121.15 1vsy h ILE 581 Ca 0.18 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 1vsy h ILE 581 Cb 0.09 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1vsy h ILE 581 CO -0.02 0.07 -0.43 0.40 0.00 0.00 0.00 178.15 178.16 1vsy h ILE 582 N 0.39 1.32 -0.25 -0.67 2.04 -1.24 -2.74 117.51 116.36 1vsy h ILE 582 Ca 0.28 -1.59 -0.16 0.00 1.00 0.00 0.00 64.86 64.40 1vsy h ILE 582 Cb 0.32 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1vsy h ILE 582 CO -0.28 0.48 -0.48 -1.28 0.00 0.00 0.00 178.15 176.58 1vsy h SER 583 N 0.24 0.72 -0.28 1.72 0.87 0.13 -2.48 113.55 114.47 1vsy h SER 583 Ca 0.02 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.11 1vsy h SER 583 Cb 0.87 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1vsy h SER 583 CO 0.07 1.09 -0.25 -0.07 -0.53 0.00 0.00 176.83 177.14 1vsy h LEU 584 N 0.52 0.71 -1.01 2.23 3.38 -1.15 -3.20 115.31 116.79 1vsy h LEU 584 Ca 0.03 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1vsy h LEU 584 Cb 1.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1vsy h LEU 584 CO 0.10 1.02 0.18 1.23 0.09 0.00 0.00 178.44 181.06 1vsy h GLY 585 N 0.41 0.96 2.00 0.83 0.00 -1.46 -2.83 103.07 102.97 1vsy h GLY 585 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1vsy h GLY 585 CO 0.06 0.50 0.00 1.48 0.00 0.00 0.00 176.54 178.58 1vsy h SER 586 N 0.87 0.00 0.14 0.19 4.64 -1.44 -1.70 113.55 116.25 1vsy h SER 586 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1vsy h SER 586 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1vsy h SER 586 CO -0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.76 1vsy n GLN 587 N -2.66 1.16 -1.29 4.77 1.13 -1.07 -4.85 117.38 114.56 1vsy n GLN 587 Ca 0.02 -0.72 -0.37 0.00 -1.94 0.00 0.00 57.00 53.99 1vsy n GLN 587 Cb 0.29 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.22 1vsy n GLN 587 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1vsy n ASN 588 N -0.30 -1.47 0.01 1.08 2.85 -0.64 -4.89 115.26 111.90 1vsy n ASN 588 Ca 0.14 0.61 -0.05 0.00 -0.11 0.00 0.00 54.58 55.17 1vsy n ASN 588 Cb 0.37 -1.17 0.17 0.00 1.24 0.00 0.00 39.78 40.39 1vsy n ASN 588 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vsy h LYS 589 N -0.25 0.51 -6.19 1.20 1.57 -1.90 -3.41 116.57 108.09 1vsy h LYS 589 Ca -0.45 -0.21 -0.56 0.00 -1.87 0.00 0.00 60.65 57.56 1vsy h LYS 589 Cb 1.36 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 1vsy h LYS 589 CO 0.43 0.75 0.45 1.21 -0.57 0.00 0.00 179.45 181.72 1vsy s ASN 590 N -6.82 7.18 0.45 0.86 3.84 -1.26 -4.95 114.94 114.24 1vsy s ASN 590 Ca -0.07 1.44 0.25 0.00 0.21 0.00 0.00 52.86 54.69 1vsy s ASN 590 Cb 0.13 -2.52 0.83 0.00 -0.55 0.00 0.00 41.25 39.15 1vsy s ASN 590 CO 0.80 -0.38 1.78 1.55 -2.79 0.00 0.00 177.10 178.07 1vsy h PRO 591 N 7.07 0.00 0.09 0.43 0.13 -1.99 -2.52 132.00 135.21 1vsy h PRO 591 Ca -0.33 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.61 1vsy h PRO 591 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 1vsy h PRO 591 CO 0.83 0.16 -0.80 -0.44 -0.23 0.00 0.00 178.00 177.51 1vsy h ASP 592 N 0.00 0.55 0.45 1.44 3.32 -1.95 -2.66 116.42 117.57 1vsy h ASP 592 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1vsy h ASP 592 Cb 0.81 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1vsy h ASP 592 CO 0.02 1.36 0.00 0.40 -1.72 0.00 0.00 179.24 179.30 1vsy h ILE 593 N -0.19 0.00 0.09 0.35 2.04 -1.94 -2.81 117.51 115.05 1vsy h ILE 593 Ca -0.13 -0.19 -0.26 0.00 1.00 0.00 0.00 64.86 65.29 1vsy h ILE 593 Cb 1.56 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1vsy h ILE 593 CO 0.15 0.00 -1.35 0.00 0.00 0.00 0.00 178.15 176.95 1vsy h ALA 594 N 2.08 0.19 0.00 1.87 0.00 -1.47 -3.34 119.26 118.59 1vsy h ALA 594 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1vsy h ALA 594 Cb 0.23 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1vsy h ALA 594 CO 0.00 0.79 0.07 0.09 0.00 0.00 0.00 179.25 180.20 1vsy n ASN 595 N -4.00 0.34 -0.03 0.00 3.02 -1.00 -0.74 115.26 112.84 1vsy n ASN 595 Ca -0.25 0.62 -0.10 0.00 -0.03 0.00 0.00 54.58 54.82 1vsy n ASN 595 Cb 0.86 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 39.29 1vsy n ASN 595 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1vsy h TYR 596 N 0.00 -0.05 -0.37 3.10 0.99 -1.67 -2.90 116.97 116.07 1vsy h TYR 596 Ca 0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1vsy h TYR 596 Cb 0.14 0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.86 1vsy h TYR 596 CO 0.00 0.56 -0.02 1.88 -0.00 0.00 0.00 178.16 180.57 1vsy h TYR 597 N -0.95 0.63 -0.12 4.88 -1.99 -1.08 -2.96 116.97 115.39 1vsy h TYR 597 Ca -0.01 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.53 1vsy h TYR 597 Cb 0.62 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1vsy h TYR 597 CO 0.16 0.62 -0.46 0.82 -0.00 0.00 0.00 178.16 179.30 1vsy h ILE 598 N 0.57 1.33 0.00 -2.88 2.04 -1.07 -2.97 117.51 114.53 1vsy h ILE 598 Ca 0.12 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1vsy h ILE 598 Cb 0.40 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1vsy h ILE 598 CO 0.02 0.50 0.00 -1.54 0.00 0.00 0.00 178.15 177.12 1vsy n SER 599 N -3.98 0.15 0.18 1.72 3.41 -1.09 -2.83 113.62 111.17 1vsy n SER 599 Ca -0.02 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1vsy n SER 599 Cb 0.52 -0.56 0.47 0.00 -0.26 0.00 0.00 64.21 64.38 1vsy n SER 599 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vsy h PHE 601 N 0.00 0.96 -0.60 0.00 0.05 -1.70 -2.43 116.94 113.22 1vsy h PHE 601 Ca 0.00 -0.20 -0.07 0.00 3.82 0.00 0.00 57.97 61.52 1vsy h PHE 601 Cb 0.61 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.30 1vsy h PHE 601 CO 0.00 0.95 0.11 0.00 -0.18 0.00 0.00 178.31 179.20 1vsy h ALA 602 N 1.05 0.79 -0.44 2.45 0.00 -1.65 -1.19 119.26 120.27 1vsy h ALA 602 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1vsy h ALA 602 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vsy h ALA 602 CO 0.05 0.53 -0.08 1.88 0.00 0.00 0.00 179.25 181.63 1vsy h TYR 603 N 0.88 0.93 -0.50 0.00 0.99 -1.65 -2.78 116.97 114.83 1vsy h TYR 603 Ca 0.18 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1vsy h TYR 603 Cb 0.40 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.88 1vsy h TYR 603 CO 0.03 0.93 -0.01 -0.07 -0.00 0.00 0.00 178.16 179.04 1vsy h LEU 604 N 0.67 0.88 -1.68 3.88 3.38 -1.28 -3.00 115.31 118.15 1vsy h LEU 604 Ca 0.11 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1vsy h LEU 604 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1vsy h LEU 604 CO 0.04 0.98 -0.19 -0.07 0.09 0.00 0.00 178.44 179.29 1vsy h LEU 605 N 0.76 0.00 -1.45 1.67 3.38 -1.19 -2.65 115.31 115.83 1vsy h LEU 605 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1vsy h LEU 605 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vsy h LEU 605 CO 0.03 0.19 -0.26 -0.08 0.09 0.00 0.00 178.44 178.40 1vsy h GLU 606 N 0.00 0.00 0.00 1.13 4.22 -1.34 -1.37 114.58 117.21 1vsy h GLU 606 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1vsy h GLU 606 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1vsy h GLU 606 CO 0.02 0.26 0.00 1.28 -2.18 0.00 0.00 179.01 178.40 1vsy n LEU 607 N -3.83 0.00 -3.99 1.64 4.77 -1.00 -4.90 117.00 109.69 1vsy n LEU 607 Ca -0.02 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1vsy n LEU 607 Cb 0.35 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1vsy n LEU 607 CO 0.35 -0.06 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.38 1vsy n ASP 608 N -1.14 -0.71 -4.75 -1.43 2.03 -0.52 -4.88 116.55 105.14 1vsy n ASP 608 Ca 0.11 -1.05 -0.30 0.00 0.52 0.00 0.00 54.79 54.07 1vsy n ASP 608 Cb 0.10 -1.28 0.12 0.00 -0.72 0.00 0.00 41.12 39.33 1vsy n ASP 608 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1vsy s PRO 609 N -6.73 1.52 0.46 -0.67 0.04 -1.26 -4.91 135.00 123.45 1vsy s PRO 609 Ca 0.15 0.69 0.13 0.00 0.04 0.00 0.00 61.00 62.01 1vsy s PRO 609 Cb -0.08 -1.85 1.07 0.00 0.04 0.00 0.00 34.50 33.67 1vsy s PRO 609 CO 0.80 -2.03 2.07 0.66 0.04 0.00 0.00 177.00 178.54 1vsy h SER 610 N -1.39 0.13 0.32 6.66 4.64 -1.90 -2.38 113.55 119.64 1vsy h SER 610 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1vsy h SER 610 Cb 1.28 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vsy h SER 610 CO 0.57 0.16 0.00 0.78 -0.87 0.00 0.00 176.83 177.47 1vsy h ASN 611 N 0.15 0.00 -0.64 4.97 2.35 -1.92 -3.37 115.58 117.12 1vsy h ASN 611 Ca 0.04 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 56.02 1vsy h ASN 611 Cb 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.35 1vsy h ASN 611 CO 0.00 0.00 0.21 0.00 -1.65 0.00 0.00 177.43 175.99 1vsy n ALA 612 N -1.98 0.53 -0.28 -0.83 0.00 -0.90 0.44 120.51 117.49 1vsy n ALA 612 Ca -0.01 0.67 0.01 0.00 0.00 0.00 0.00 53.44 54.11 1vsy n ALA 612 Cb 0.13 -0.60 0.14 0.00 0.00 0.00 0.00 19.45 19.13 1vsy n ALA 612 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1vsy h TYR 613 N 0.00 0.81 -0.91 0.00 -0.00 -1.86 -2.81 116.97 112.19 1vsy h TYR 613 Ca 0.48 0.03 0.18 0.00 0.00 0.00 0.00 58.73 59.42 1vsy h TYR 613 Cb 1.19 -0.25 -0.11 0.00 0.00 0.00 0.00 36.73 37.56 1vsy h TYR 613 CO -0.14 0.35 0.49 -0.07 -0.00 0.00 0.00 178.16 178.79 1vsy h LEU 614 N 0.78 0.56 0.14 0.10 3.38 -0.35 0.78 115.31 120.69 1vsy h LEU 614 Ca 0.37 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 1vsy h LEU 614 Cb 0.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vsy h LEU 614 CO -0.22 0.18 -0.07 0.40 0.09 0.00 0.00 178.44 178.82 1vsy h ILE 615 N 0.61 0.94 -0.83 1.22 2.04 -1.64 -2.75 117.51 117.10 1vsy h ILE 615 Ca 0.53 -1.17 0.14 0.00 1.00 0.00 0.00 64.86 65.36 1vsy h ILE 615 Cb 0.85 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 1vsy h ILE 615 CO -0.41 0.24 0.54 1.88 0.00 0.00 0.00 178.15 180.40 1vsy h TYR 616 N -0.83 0.68 0.93 1.37 -1.99 -1.13 -1.65 116.97 114.36 1vsy h TYR 616 Ca -0.02 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1vsy h TYR 616 Cb 0.54 -0.22 0.01 0.00 2.00 0.00 0.00 36.73 39.06 1vsy h TYR 616 CO 0.09 0.26 -0.45 -0.44 -0.00 0.00 0.00 178.16 177.62 1vsy h ASP 617 N 0.59 -1.07 0.23 3.88 3.32 0.54 -2.35 116.42 121.55 1vsy h ASP 617 Ca 0.41 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 1vsy h ASP 617 Cb 0.74 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1vsy h ASP 617 CO -0.16 -0.76 -0.27 0.50 -1.72 0.00 0.00 179.24 176.83 1vsy h LYS 618 N -1.25 -0.49 -1.20 3.56 3.64 -1.16 -2.72 116.57 116.95 1vsy h LYS 618 Ca -0.13 0.03 0.37 0.00 -1.27 0.00 0.00 60.65 59.66 1vsy h LYS 618 Cb 0.96 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.78 1vsy h LYS 618 CO 0.21 -0.32 0.77 0.82 -2.27 0.00 0.00 179.45 178.65 1vsy h ILE 619 N -0.50 0.27 0.15 2.00 2.04 -1.37 -0.03 117.51 120.06 1vsy h ILE 619 Ca -0.03 -0.07 -0.29 0.00 1.00 0.00 0.00 64.86 65.47 1vsy h ILE 619 Cb 0.45 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1vsy h ILE 619 CO -0.06 0.04 -1.32 0.25 0.00 0.00 0.00 178.15 177.06 1vsy h LEU 620 N 0.20 0.49 0.56 1.44 5.85 -1.33 -1.66 115.31 120.87 1vsy h LEU 620 Ca 0.73 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1vsy h LEU 620 Cb 2.15 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 43.03 1vsy h LEU 620 CO -0.39 1.43 -0.27 0.40 -0.34 0.00 0.00 178.44 179.27 1vsy h ILE 621 N 0.09 0.28 -0.98 4.05 2.04 -0.76 0.98 117.51 123.20 1vsy h ILE 621 Ca -0.17 -0.38 0.28 0.00 1.00 0.00 0.00 64.86 65.60 1vsy h ILE 621 Cb 2.01 0.39 -0.14 0.00 -0.74 0.00 0.00 36.82 38.34 1vsy h ILE 621 CO 0.21 0.04 0.52 0.44 0.00 0.00 0.00 178.15 179.36 1vsy h ASP 622 N -1.04 0.48 -0.10 1.72 5.19 -1.17 0.11 116.42 121.61 1vsy h ASP 622 Ca -0.08 0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1vsy h ASP 622 Cb 0.64 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1vsy h ASP 622 CO 0.13 -0.07 -0.21 0.25 -3.12 0.00 0.00 179.24 176.22 1vsy h LEU 623 N 0.38 0.35 -0.98 1.55 5.85 -1.15 -2.74 115.31 118.58 1vsy h LEU 623 Ca 0.68 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1vsy h LEU 623 Cb 1.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1vsy h LEU 623 CO -0.57 0.86 -0.27 1.88 -0.34 0.00 0.00 178.44 179.99 1vsy h TYR 624 N -0.14 0.46 -0.18 1.25 0.99 0.37 -2.09 116.97 117.63 1vsy h TYR 624 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1vsy h TYR 624 Cb 0.81 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 38.41 1vsy h TYR 624 CO 0.11 0.65 0.11 -0.44 -0.00 0.00 0.00 178.16 178.59 1vsy h ASP 625 N 0.36 0.21 -0.79 3.88 3.32 -0.92 -2.43 116.42 120.06 1vsy h ASP 625 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1vsy h ASP 625 Cb 0.67 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1vsy h ASP 625 CO 0.05 0.18 0.51 0.74 -1.72 0.00 0.00 179.24 179.00 1vsy h THR 626 N 0.23 1.21 0.00 0.35 2.02 -1.14 -1.67 112.91 113.91 1vsy h THR 626 Ca 0.07 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1vsy h THR 626 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1vsy h THR 626 CO -0.01 0.21 0.00 -0.07 0.37 0.00 0.00 175.52 176.02 1vsy h LEU 627 N 1.09 0.00 -3.45 2.58 3.38 -1.34 -2.46 115.31 115.12 1vsy h LEU 627 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1vsy h LEU 627 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1vsy h LEU 627 CO -0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1vsy n ALA 628 N -1.85 3.74 -1.73 1.53 0.00 -0.70 -4.96 120.51 116.55 1vsy n ALA 628 Ca 0.04 -1.83 -0.17 0.00 0.00 0.00 0.00 53.44 51.48 1vsy n ALA 628 Cb 0.39 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1vsy n ALA 628 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vsy n ASP 629 N 0.71 -4.54 0.00 0.00 8.00 -0.92 -4.81 116.55 114.98 1vsy n ASP 629 Ca 0.27 0.33 0.08 0.00 0.71 0.00 0.00 54.79 56.18 1vsy n ASP 629 Cb 1.14 -4.03 0.46 0.00 -0.02 0.00 0.00 41.12 38.67 1vsy n ASP 629 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vsy n GLN 630 N -2.31 0.81 0.00 -1.24 1.13 -0.76 -2.80 117.38 112.21 1vsy n GLN 630 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1vsy n GLN 630 Cb 0.58 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1vsy n GLN 630 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1vsy n PHE 631 N -0.80 0.00 -0.31 1.08 0.99 -1.26 -4.82 117.46 112.34 1vsy n PHE 631 Ca 0.12 -0.17 0.34 0.00 -0.00 0.00 0.00 57.45 57.73 1vsy n PHE 631 Cb 0.05 -0.02 0.74 0.00 -1.00 0.00 0.00 39.48 39.25 1vsy n PHE 631 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1vsy h ILE 632 N 0.50 0.43 0.00 4.37 2.10 -1.88 0.89 117.51 123.91 1vsy h ILE 632 Ca 0.00 -0.01 -0.04 0.00 1.08 0.00 0.00 64.86 65.89 1vsy h ILE 632 Cb 0.36 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 36.49 1vsy h ILE 632 CO 0.00 0.00 -0.19 0.78 -1.08 0.00 0.00 178.15 177.67 1vsy h ASN 633 N 0.02 0.00 -3.78 2.19 2.35 -1.87 -3.42 115.58 111.07 1vsy h ASN 633 Ca 0.55 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.64 1vsy h ASN 633 Cb 2.16 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 40.16 1vsy h ASN 633 CO -0.02 0.19 -0.80 -0.44 -1.65 0.00 0.00 177.43 174.70 1vsy s SER 634 N -6.12 4.24 0.07 5.81 0.01 0.31 -5.02 113.70 113.00 1vsy s SER 634 Ca 0.01 -1.31 -0.26 0.00 1.31 0.00 0.00 55.95 55.70 1vsy s SER 634 Cb 0.09 -1.46 -0.16 0.00 0.21 0.00 0.00 66.02 64.70 1vsy s SER 634 CO 0.63 -0.19 1.64 -0.09 0.41 0.00 0.00 173.24 175.64 1vsy h ARG 635 N 7.82 -0.26 -0.74 12.44 2.43 -1.83 -3.25 114.38 130.99 1vsy h ARG 635 Ca -0.20 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1vsy h ARG 635 Cb 1.05 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.58 1vsy h ARG 635 CO 0.46 -0.12 0.36 1.12 -1.51 0.00 0.00 179.97 180.27 1vsy h HIS 636 N -0.32 0.64 -0.57 2.20 2.07 -1.95 -1.99 115.15 115.23 1vsy h HIS 636 Ca -0.03 0.03 0.06 0.00 -2.85 0.00 0.00 60.37 57.59 1vsy h HIS 636 Cb 0.25 -0.18 -0.03 0.00 2.57 0.00 0.00 27.41 30.02 1vsy h HIS 636 CO -0.05 0.21 0.38 0.00 -3.07 0.00 0.00 177.93 175.40 1vsy h ARG 637 N 0.60 0.50 -0.10 5.12 2.47 -1.91 0.98 114.38 122.04 1vsy h ARG 637 Ca 0.37 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.98 1vsy h ARG 637 Cb 0.42 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1vsy h ARG 637 CO -0.29 0.33 -0.26 0.82 0.56 0.00 0.00 179.97 181.13 1vsy h ILE 638 N 0.52 1.39 0.08 2.04 2.04 -1.48 -1.06 117.51 121.04 1vsy h ILE 638 Ca 0.25 -1.58 -0.28 0.00 1.00 0.00 0.00 64.86 64.25 1vsy h ILE 638 Cb 0.31 2.15 0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1vsy h ILE 638 CO -0.07 0.46 -1.15 0.40 0.00 0.00 0.00 178.15 177.79 1vsy h ILE 639 N -0.08 1.29 0.26 -0.67 2.04 -1.23 -3.21 117.51 115.91 1vsy h ILE 639 Ca -0.00 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 1vsy h ILE 639 Cb 0.87 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1vsy h ILE 639 CO 0.06 0.73 -0.33 -1.28 0.00 0.00 0.00 178.15 177.32 1vsy h SER 640 N 0.28 -0.93 0.02 1.72 0.87 0.92 -2.58 113.55 113.86 1vsy h SER 640 Ca -0.17 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1vsy h SER 640 Cb 1.82 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 64.10 1vsy h SER 640 CO 0.22 -0.41 0.00 -1.54 -0.53 0.00 0.00 176.83 174.57 1vsy n SER 641 N -4.35 0.00 0.04 6.23 3.41 -0.40 0.17 113.62 118.72 1vsy n SER 641 Ca -0.07 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1vsy n SER 641 Cb 0.29 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1vsy n SER 641 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vsy n LEU 642 N -1.04 0.37 0.02 1.04 4.77 -1.10 -3.21 117.00 117.86 1vsy n LEU 642 Ca 0.08 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 1vsy n LEU 642 Cb 0.04 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1vsy n LEU 642 CO 0.06 -0.07 -0.44 0.11 -1.33 0.00 0.00 177.39 175.73 1vsy h LYS 643 N 0.00 0.27 -0.26 3.23 1.57 0.13 -2.59 116.57 118.92 1vsy h LYS 643 Ca -0.01 -0.47 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1vsy h LYS 643 Cb 1.03 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1vsy h LYS 643 CO 0.00 1.22 -0.41 1.96 -0.57 0.00 0.00 179.45 181.66 1vsy h GLN 644 N -0.22 -0.39 -0.06 3.15 4.20 -1.24 -1.15 115.11 119.39 1vsy h GLN 644 Ca -0.31 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 1vsy h GLN 644 Cb 1.83 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 1vsy h GLN 644 CO 0.08 -0.26 -0.23 0.35 -0.67 0.00 0.00 178.83 178.11 1vsy h PHE 645 N -0.40 0.11 -0.14 2.96 3.57 -1.66 -2.97 116.94 118.42 1vsy h PHE 645 Ca 0.11 -0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.37 1vsy h PHE 645 Cb 0.60 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.32 1vsy h PHE 645 CO -0.54 0.33 -0.78 1.15 -2.23 0.00 0.00 178.31 176.25 1vsy h THR 646 N 0.10 1.28 0.00 4.41 2.02 -1.01 -2.59 112.91 117.12 1vsy h THR 646 Ca 0.02 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1vsy h THR 646 Cb 0.46 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1vsy h THR 646 CO 0.03 0.63 0.00 -1.14 0.37 0.00 0.00 175.52 175.41 1vsy n ARG 647 N -3.96 0.76 0.00 6.66 0.00 -0.48 -2.46 116.66 117.17 1vsy n ARG 647 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1vsy n ARG 647 Cb 0.75 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 32.09 1vsy n ARG 647 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1vsy n VAL 648 N 0.82 0.00 0.11 5.15 0.31 -1.23 -3.84 118.33 119.66 1vsy n VAL 648 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1vsy n VAL 648 Cb 0.38 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.23 1vsy n VAL 648 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1vsy h ILE 649 N 0.55 0.89 -0.96 2.52 2.04 -1.13 -2.89 117.51 118.52 1vsy h ILE 649 Ca 0.00 -0.36 0.24 0.00 1.00 0.00 0.00 64.86 65.74 1vsy h ILE 649 Cb 0.24 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1vsy h ILE 649 CO 0.00 0.08 0.64 0.08 0.00 0.00 0.00 178.15 178.95 1vsy h ARG 650 N -0.42 0.35 0.00 2.37 0.11 -1.87 -0.24 114.38 114.67 1vsy h ARG 650 Ca -0.03 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.85 1vsy h ARG 650 Cb 0.33 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.30 1vsy h ARG 650 CO 0.04 0.23 -0.88 0.74 0.10 0.00 0.00 179.97 180.21 1vsy h PHE 651 N 0.36 0.00 -0.10 4.08 -1.00 -1.93 -3.27 116.94 115.08 1vsy h PHE 651 Ca 0.51 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 61.17 1vsy h PHE 651 Cb 1.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.92 1vsy h PHE 651 CO -0.00 0.88 -0.50 0.82 -1.61 0.00 0.00 178.31 177.89 1vsy h ILE 652 N 0.00 1.34 0.00 -0.55 2.04 -0.84 -2.82 117.51 116.68 1vsy h ILE 652 Ca -0.01 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1vsy h ILE 652 Cb 1.61 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1vsy h ILE 652 CO 0.11 0.52 0.00 0.52 0.00 0.00 0.00 178.15 179.30 1vsy n VAL 653 N -3.95 1.84 0.00 1.67 0.31 -1.04 -2.72 118.33 114.44 1vsy n VAL 653 Ca -0.02 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1vsy n VAL 653 Cb 0.55 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1vsy n VAL 653 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1vsy n MET 654 N -1.46 0.00 -1.14 5.55 2.81 -1.06 -4.21 117.12 117.61 1vsy n MET 654 Ca 0.00 0.00 -0.51 0.00 -1.81 0.00 0.00 57.70 55.38 1vsy n MET 654 Cb 0.00 -0.32 -0.09 0.00 -0.71 0.00 0.00 33.22 32.10 1vsy n MET 654 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1vsy n ASP 655 N -2.13 0.72 0.00 7.83 4.64 -1.24 -4.67 116.55 121.70 1vsy n ASP 655 Ca 0.00 0.68 0.01 0.00 -1.38 0.00 0.00 54.79 54.09 1vsy n ASP 655 Cb 0.00 -0.73 0.03 0.00 -1.04 0.00 0.00 41.12 39.38 1vsy n ASP 655 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 1vsy n LYS 656 N 5.29 0.02 -0.06 -0.67 2.85 -1.26 -2.77 118.16 121.56 1vsy n LYS 656 Ca 0.39 0.22 -0.04 0.00 -1.05 0.00 0.00 58.31 57.83 1vsy n LYS 656 Cb -0.04 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.83 1vsy n LYS 656 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1vsy n LEU 657 N -1.23 1.48 -0.16 -5.58 7.94 -1.26 -4.62 117.00 113.56 1vsy n LEU 657 Ca 0.01 0.50 -0.03 0.00 -1.11 0.00 0.00 56.01 55.38 1vsy n LEU 657 Cb 0.01 -0.78 0.07 0.00 0.53 0.00 0.00 43.42 43.25 1vsy n LEU 657 CO 0.01 -0.45 0.95 1.88 -1.11 0.00 0.00 177.39 178.67 1vsy h TYR 658 N -0.80 0.27 -1.43 1.96 0.99 -1.79 -2.82 116.97 113.35 1vsy h TYR 658 Ca 0.00 0.03 0.43 0.00 2.00 0.00 0.00 58.73 61.18 1vsy h TYR 658 Cb 0.49 -0.04 -0.07 0.00 1.00 0.00 0.00 36.73 38.11 1vsy h TYR 658 CO -0.21 0.07 1.01 2.89 -0.00 0.00 0.00 178.16 181.91 1vsy n ARG 659 N -5.04 -0.01 -0.09 4.88 1.85 -1.10 0.06 116.66 117.22 1vsy n ARG 659 Ca 0.06 0.86 -0.07 0.00 -1.00 0.00 0.00 57.85 57.69 1vsy n ARG 659 Cb 0.22 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1vsy n ARG 659 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1vsy h VAL 660 N 0.00 0.88 -0.08 8.89 2.07 -1.77 -2.40 116.25 123.85 1vsy h VAL 660 Ca 0.71 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 68.18 1vsy h VAL 660 Cb 2.76 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1vsy h VAL 660 CO -0.08 0.04 0.09 0.45 0.02 0.00 0.00 177.57 178.09 1vsy h HIS 661 N 0.21 0.00 -0.05 1.57 3.86 -0.59 -3.28 115.15 116.86 1vsy h HIS 661 Ca 0.15 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1vsy h HIS 661 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1vsy h HIS 661 CO -0.16 0.00 -0.26 0.82 0.86 0.00 0.00 177.93 179.20 1vsy h ILE 662 N 0.00 1.21 -0.05 2.45 2.04 -1.53 -0.69 117.51 120.93 1vsy h ILE 662 Ca 0.04 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1vsy h ILE 662 Cb 0.23 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1vsy h ILE 662 CO -0.00 0.29 0.02 0.74 0.00 0.00 0.00 178.15 179.20 1vsy h THR 663 N 0.09 1.14 0.62 -0.27 2.02 -1.76 -2.42 112.91 112.33 1vsy h THR 663 Ca 0.01 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1vsy h THR 663 Cb 0.51 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1vsy h THR 663 CO 0.04 0.12 -0.46 -1.13 0.37 0.00 0.00 175.52 174.46 1vsy h ASN 664 N -0.08 -1.19 -0.48 4.18 -1.24 -1.57 -1.35 115.58 113.84 1vsy h ASN 664 Ca 0.02 0.08 0.14 0.00 0.71 0.00 0.00 56.30 57.25 1vsy h ASN 664 Cb 0.17 0.37 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 1vsy h ASN 664 CO -0.00 -0.67 0.39 0.58 -1.29 0.00 0.00 177.43 176.44 1vsy h VAL 665 N -1.04 0.62 0.08 2.57 2.07 -1.22 0.02 116.25 119.36 1vsy h VAL 665 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1vsy h VAL 665 Cb 0.86 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1vsy h VAL 665 CO 0.03 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.83 1vsy h LEU 666 N 0.00 -0.09 -1.24 2.57 5.85 -1.15 -2.46 115.31 118.79 1vsy h LEU 666 Ca 0.23 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1vsy h LEU 666 Cb 1.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1vsy h LEU 666 CO -0.00 0.56 0.00 -1.54 -0.34 0.00 0.00 178.44 177.12 1vsy n SER 667 N -4.80 0.57 0.06 1.25 3.41 -0.53 -1.13 113.62 112.45 1vsy n SER 667 Ca -0.06 0.74 -0.22 0.00 -0.26 0.00 0.00 58.87 59.07 1vsy n SER 667 Cb 0.24 -0.82 -0.15 0.00 -0.26 0.00 0.00 64.21 63.22 1vsy n SER 667 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1vsy h MET 668 N 0.00 0.34 -0.04 4.33 2.86 -1.08 -3.22 114.93 118.13 1vsy h MET 668 Ca 0.00 -0.59 0.01 0.00 -2.06 0.00 0.00 59.70 57.06 1vsy h MET 668 Cb 0.08 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1vsy h MET 668 CO 0.00 1.28 -0.01 -0.07 1.06 0.00 0.00 176.91 179.17 1vsy h LEU 669 N -0.22 -0.05 -0.34 1.22 3.38 -0.62 -1.75 115.31 116.93 1vsy h LEU 669 Ca -0.22 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1vsy h LEU 669 Cb 1.81 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.53 1vsy h LEU 669 CO 0.16 -0.02 -0.09 0.58 0.09 0.00 0.00 178.44 179.15 1vsy h VAL 670 N -0.01 0.64 0.00 1.22 2.07 -1.35 -2.20 116.25 116.63 1vsy h VAL 670 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1vsy h VAL 670 Cb 0.04 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1vsy h VAL 670 CO -0.05 0.00 -0.35 0.77 0.02 0.00 0.00 177.57 177.96 1vsy h SER 671 N -0.01 0.00 -0.23 0.57 4.64 -1.54 -2.78 113.55 114.20 1vsy h SER 671 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1vsy h SER 671 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1vsy h SER 671 CO -0.36 0.35 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1vsy n LYS 672 N -3.60 2.45 -2.31 4.77 5.02 -0.67 -4.86 118.16 118.95 1vsy n LYS 672 Ca -0.01 -1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 54.64 1vsy n LYS 672 Cb 0.47 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1vsy n LYS 672 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vsy s LEU 673 N -1.07 3.57 0.42 -0.35 1.43 -1.05 -4.96 118.68 116.67 1vsy s LEU 673 Ca 0.21 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 1vsy s LEU 673 Cb 0.16 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.75 1vsy s LEU 673 CO 0.07 -1.48 0.94 -0.62 0.23 0.00 0.00 176.35 175.49 1vsy s ASP 674 N 4.20 6.95 0.00 2.29 -1.08 -1.26 -4.99 116.67 122.78 1vsy s ASP 674 Ca 0.63 1.68 0.16 0.00 -0.52 0.00 0.00 52.55 54.50 1vsy s ASP 674 Cb -0.14 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 1vsy s ASP 674 CO 0.33 -0.34 0.86 0.23 0.52 0.00 0.00 175.17 176.77 1vsy n MET 675 N -0.58 1.65 -0.06 4.34 2.81 -1.26 -4.48 117.12 119.55 1vsy n MET 675 Ca 0.07 -0.88 -0.07 0.00 -1.81 0.00 0.00 57.70 55.01 1vsy n MET 675 Cb 0.54 -1.27 -0.07 0.00 -0.71 0.00 0.00 33.22 31.71 1vsy n MET 675 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1vsy n ASN 676 N 0.00 2.68 -4.38 7.83 3.02 -1.26 -4.87 115.26 118.28 1vsy n ASN 676 Ca 0.07 -0.03 -0.45 0.00 -0.03 0.00 0.00 54.58 54.14 1vsy n ASN 676 Cb 0.34 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.83 1vsy n ASN 676 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vsy s ASP 677 N -4.68 6.31 0.25 6.41 3.68 -1.26 -4.88 116.67 122.50 1vsy s ASP 677 Ca -0.10 -1.64 -0.06 0.00 2.13 0.00 0.00 52.55 52.88 1vsy s ASP 677 Cb 0.04 -2.31 0.28 0.00 -1.45 0.00 0.00 42.92 39.47 1vsy s ASP 677 CO 0.37 -1.07 1.92 0.74 0.13 0.00 0.00 175.17 177.26 1vsy h THR 678 N 5.79 1.22 -0.06 1.71 2.02 -1.89 -2.82 112.91 118.88 1vsy h THR 678 Ca -0.19 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1vsy h THR 678 Cb 1.07 -0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1vsy h THR 678 CO 1.07 0.24 -0.06 -1.13 0.37 0.00 0.00 175.52 176.01 1vsy h ASN 679 N 1.31 0.15 -0.95 4.18 -0.00 -1.98 -2.38 115.58 115.91 1vsy h ASN 679 Ca 0.37 -0.49 0.08 0.00 -0.00 0.00 0.00 56.30 56.26 1vsy h ASN 679 Cb -0.10 -0.04 -0.07 0.00 -0.00 0.00 0.00 38.32 38.11 1vsy h ASN 679 CO -0.10 0.61 0.60 0.25 -0.00 0.00 0.00 177.43 178.79 1vsy h LEU 680 N -0.31 0.92 -0.69 0.34 6.46 -1.96 -1.77 115.31 118.30 1vsy h LEU 680 Ca 0.01 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1vsy h LEU 680 Cb 0.57 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1vsy h LEU 680 CO 0.01 0.56 0.22 0.74 -0.62 0.00 0.00 178.44 179.35 1vsy h THR 681 N 1.04 1.25 -0.53 1.05 2.02 -1.43 -0.63 112.91 115.67 1vsy h THR 681 Ca 0.43 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1vsy h THR 681 Cb 0.27 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1vsy h THR 681 CO -0.21 0.34 0.16 -1.28 0.37 0.00 0.00 175.52 174.90 1vsy h SER 682 N 1.01 0.73 1.34 4.18 0.87 -0.81 -1.00 113.55 119.88 1vsy h SER 682 Ca 0.22 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1vsy h SER 682 Cb 0.29 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1vsy h SER 682 CO -0.01 0.70 -0.07 0.59 -0.53 0.00 0.00 176.83 177.51 1vsy n ASN 683 N -4.30 0.71 -0.07 6.23 3.02 -0.79 -2.45 115.26 117.60 1vsy n ASN 683 Ca 0.04 0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 54.91 1vsy n ASN 683 Cb 0.20 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.60 1vsy n ASN 683 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1vsy h LEU 684 N 0.00 0.06 -1.02 3.41 3.38 -0.69 -3.28 115.31 117.17 1vsy h LEU 684 Ca 0.00 -0.75 0.21 0.00 0.09 0.00 0.00 57.88 57.43 1vsy h LEU 684 Cb 0.71 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1vsy h LEU 684 CO 0.00 1.32 0.61 0.40 0.09 0.00 0.00 178.44 180.86 1vsy h ILE 685 N -0.89 0.64 -0.40 1.22 1.08 -1.27 0.17 117.51 118.06 1vsy h ILE 685 Ca -0.21 -0.24 0.08 0.00 -0.39 0.00 0.00 64.86 64.11 1vsy h ILE 685 Cb 1.26 -0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.82 1vsy h ILE 685 CO -0.09 0.13 -0.17 0.78 -0.69 0.00 0.00 178.15 178.11 1vsy h ASN 686 N 0.69 -0.57 0.45 1.72 4.21 -1.59 0.15 115.58 120.64 1vsy h ASN 686 Ca 0.60 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 58.23 1vsy h ASN 686 Cb 1.03 0.32 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1vsy h ASN 686 CO -0.41 -0.20 -0.22 1.23 -1.29 0.00 0.00 177.43 176.54 1vsy h GLY 687 N -0.09 -0.63 0.05 2.83 0.00 -1.06 -2.36 103.07 101.82 1vsy h GLY 687 Ca 0.19 0.23 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1vsy h GLY 687 CO -0.46 -0.23 0.29 -2.22 0.00 0.00 0.00 176.54 173.92 1vsy h ILE 688 N -0.80 0.60 -0.02 2.60 2.04 -0.52 -0.21 117.51 121.20 1vsy h ILE 688 Ca -0.06 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.49 1vsy h ILE 688 Cb 0.55 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1vsy h ILE 688 CO 0.10 0.07 -0.76 1.62 0.00 0.00 0.00 178.15 179.19 1vsy h VAL 689 N 0.40 1.47 -0.33 1.67 3.04 -0.75 -2.64 116.25 119.11 1vsy h VAL 689 Ca 0.43 -2.39 -0.12 0.00 -1.01 0.00 0.00 66.70 63.62 1vsy h VAL 689 Cb 0.70 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 1vsy h VAL 689 CO -0.44 0.69 -0.26 0.28 -1.01 0.00 0.00 177.57 176.83 1vsy h SER 690 N 0.11 0.80 -0.01 3.17 0.02 -0.78 -0.80 113.55 116.06 1vsy h SER 690 Ca -0.02 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1vsy h SER 690 Cb 1.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1vsy h SER 690 CO 0.11 1.08 -0.03 0.40 -1.14 0.00 0.00 176.83 177.25 1vsy h ILE 691 N 0.53 1.08 0.00 3.27 2.04 -1.06 -2.81 117.51 120.56 1vsy h ILE 691 Ca 0.06 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1vsy h ILE 691 Cb 0.82 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1vsy h ILE 691 CO 0.07 0.10 -0.92 0.00 0.00 0.00 0.00 178.15 177.40 1vsy h ALA 692 N 1.86 0.65 0.00 1.87 0.00 -1.25 -3.14 119.26 119.24 1vsy h ALA 692 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1vsy h ALA 692 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1vsy h ALA 692 CO 0.01 0.72 -0.27 0.00 0.00 0.00 0.00 179.25 179.70 1vsy h ALA 693 N 1.49 1.00 0.00 0.00 0.00 -0.88 -3.29 119.26 117.58 1vsy h ALA 693 Ca -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1vsy h ALA 693 Cb 1.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1vsy h ALA 693 CO 0.05 0.34 -0.29 1.19 0.00 0.00 0.00 179.25 180.54 1vsy n PHE 694 N -3.42 0.00 -3.76 0.00 3.01 -1.18 -4.82 117.46 107.29 1vsy n PHE 694 Ca 0.00 -1.04 -0.13 0.00 1.01 0.00 0.00 57.45 57.29 1vsy n PHE 694 Cb 0.46 -0.17 -0.11 0.00 -0.01 0.00 0.00 39.48 39.65 1vsy n PHE 694 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1vsy s ILE 695 N -2.52 0.00 -0.24 4.37 1.01 -1.19 -3.53 121.20 119.11 1vsy s ILE 695 Ca 0.31 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 1vsy s ILE 695 Cb 0.29 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 1vsy s ILE 695 CO -0.02 -0.00 0.51 -2.16 0.00 0.00 0.00 174.94 173.26 1vsy s PRO 696 N 0.15 4.12 -0.86 2.79 0.05 -1.26 -4.78 135.00 135.20 1vsy s PRO 696 Ca -0.00 0.35 -0.25 0.00 0.05 0.00 0.00 61.00 61.15 1vsy s PRO 696 Cb -0.02 -3.62 -0.02 0.00 0.05 0.00 0.00 34.50 30.90 1vsy s PRO 696 CO 0.01 -0.27 1.78 0.42 0.05 0.00 0.00 177.00 178.99 1vsy s ILE 697 N 2.03 3.55 -0.09 0.56 1.09 0.66 -4.91 121.20 124.09 1vsy s ILE 697 Ca 0.22 -0.29 -0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1vsy s ILE 697 Cb -0.15 -4.28 0.03 0.00 -1.06 0.00 0.00 42.46 36.99 1vsy s ILE 697 CO 0.09 -1.21 0.24 -1.10 -0.10 0.00 0.00 174.94 172.85 1vsy s GLN 698 N 6.50 0.26 -0.44 2.79 -0.21 -1.26 -2.61 119.66 124.69 1vsy s GLN 698 Ca 0.62 0.37 -0.29 0.00 0.02 0.00 0.00 55.36 56.08 1vsy s GLN 698 Cb -0.06 0.08 0.02 0.00 1.00 0.00 0.00 33.01 34.05 1vsy s GLN 698 CO 0.02 -0.06 1.25 0.34 -2.12 0.00 0.00 175.29 174.72 1vsy s ASP 699 N 0.36 6.53 -0.12 5.90 2.15 -1.26 -4.81 116.67 125.43 1vsy s ASP 699 Ca -0.02 0.66 0.19 0.00 0.43 0.00 0.00 52.55 53.81 1vsy s ASP 699 Cb -0.03 -2.55 0.73 0.00 -0.30 0.00 0.00 42.92 40.77 1vsy s ASP 699 CO -0.02 -1.30 1.64 0.18 -0.17 0.00 0.00 175.17 175.51 1vsy n LEU 700 N 8.16 4.83 -4.68 -1.34 4.77 -1.26 -4.94 117.00 122.54 1vsy n LEU 700 Ca 0.14 -2.45 -0.41 0.00 -0.03 0.00 0.00 56.01 53.25 1vsy n LEU 700 Cb 0.48 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1vsy n LEU 700 CO 0.70 0.82 0.55 0.42 -1.33 0.00 0.00 177.39 178.55 1vsy s THR 701 N -1.86 4.93 -0.58 -5.08 -4.23 -1.26 -4.91 115.64 102.64 1vsy s THR 701 Ca 0.52 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.59 1vsy s THR 701 Cb 0.33 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1vsy s THR 701 CO 0.25 0.08 0.63 0.61 -0.54 0.00 0.00 174.62 175.65 1vsy n GLY 702 N 3.41 1.52 3.06 3.99 0.00 -1.26 -4.72 105.19 111.20 1vsy n GLY 702 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1vsy n GLY 702 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vsy n GLU 703 N 0.26 -0.03 -1.58 1.61 0.00 -1.26 -4.95 120.64 114.69 1vsy n GLU 703 Ca 0.00 0.01 -0.61 0.00 0.00 0.00 0.00 57.16 56.56 1vsy n GLU 703 Cb 0.32 -2.89 -0.09 0.00 0.00 0.00 0.00 31.44 28.78 1vsy n GLU 703 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1vsy n ASP 704 N -0.02 1.03 -0.06 4.31 8.00 -1.26 -4.81 116.55 123.75 1vsy n ASP 704 Ca 0.00 1.08 -0.00 0.00 0.71 0.00 0.00 54.79 56.57 1vsy n ASP 704 Cb 0.01 -0.80 0.28 0.00 -0.02 0.00 0.00 41.12 40.58 1vsy n ASP 704 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1vsy h ASP 705 N 4.43 0.60 -0.40 -2.24 3.45 -2.02 -3.03 116.42 117.21 1vsy h ASP 705 Ca -0.40 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 56.91 1vsy h ASP 705 Cb 1.25 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 1vsy h ASP 705 CO 0.87 0.60 0.06 0.22 -1.57 0.00 0.00 179.24 179.42 1vsy h TYR 706 N 0.64 0.77 0.00 4.55 5.03 -2.03 -3.43 116.97 122.50 1vsy h TYR 706 Ca 0.15 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1vsy h TYR 706 Cb 0.24 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1vsy h TYR 706 CO 0.01 0.69 0.00 0.44 -1.32 0.00 0.00 178.16 177.98 1vsy n ILE 707 N -4.26 0.00 -1.13 1.81 -5.35 -1.15 -4.83 119.36 104.45 1vsy n ILE 707 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1vsy n ILE 707 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1vsy n ILE 707 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1vsy n SER 708 N 0.00 -1.70 0.04 7.28 3.41 -1.26 -4.29 113.62 117.09 1vsy n SER 708 Ca 0.00 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1vsy n SER 708 Cb 0.00 -2.22 -0.08 0.00 -0.26 0.00 0.00 64.21 61.65 1vsy n SER 708 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1vsy h PHE 709 N 0.77 -0.04 -3.71 7.33 3.57 -1.93 -3.35 116.94 119.58 1vsy h PHE 709 Ca 0.00 -0.00 -0.43 0.00 3.53 0.00 0.00 57.97 61.07 1vsy h PHE 709 Cb 0.06 0.01 0.18 0.00 2.79 0.00 0.00 35.95 39.00 1vsy h PHE 709 CO 0.01 0.16 0.29 -1.21 -2.23 0.00 0.00 178.31 175.32 1vsy s GLU 710 N -5.42 -0.44 0.00 1.11 8.01 -1.26 -0.56 118.70 120.13 1vsy s GLU 710 Ca -0.14 -0.33 0.00 0.00 0.01 0.00 0.00 54.97 54.51 1vsy s GLU 710 Cb 0.04 -1.71 0.00 0.00 -4.31 0.00 0.00 34.13 28.15 1vsy s GLU 710 CO 0.66 -3.15 0.00 0.43 0.01 0.00 0.00 175.26 173.21 1vsy n SER 711 N -4.30 0.00 0.00 -0.19 7.64 -1.26 -4.25 113.62 111.25 1vsy n SER 711 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1vsy n SER 711 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1vsy n SER 711 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1vsy n ASP 712 N 1.48 3.71 -0.09 6.43 9.92 -1.25 -4.78 116.55 131.98 1vsy n ASP 712 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1vsy n ASP 712 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1vsy n ASP 712 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1vsy n THR 713 N -2.50 1.49 -0.18 -3.53 -1.04 0.27 -3.86 114.28 104.93 1vsy n THR 713 Ca 0.00 0.15 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 1vsy n THR 713 Cb 0.49 -2.35 0.05 0.00 -1.82 0.00 0.00 70.33 66.69 1vsy n THR 713 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1vsy h LEU 714 N -1.00 -0.53 -0.83 -4.42 6.46 -1.60 -0.77 115.31 112.62 1vsy h LEU 714 Ca -0.01 0.17 0.13 0.00 -0.12 0.00 0.00 57.88 58.05 1vsy h LEU 714 Cb 0.92 0.35 -0.09 0.00 -0.73 0.00 0.00 40.66 41.12 1vsy h LEU 714 CO -0.00 -0.19 0.44 -0.65 -0.62 0.00 0.00 178.44 177.42 1vsy h PRO 715 N -0.00 0.65 -0.06 5.25 0.11 -1.84 -1.25 132.00 134.85 1vsy h PRO 715 Ca 0.27 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1vsy h PRO 715 Cb 0.41 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1vsy h PRO 715 CO -0.57 0.43 -0.05 1.25 -0.21 0.00 0.00 178.00 178.84 1vsy h LEU 716 N 0.67 0.15 -0.75 2.35 6.46 -1.44 -2.66 115.31 120.10 1vsy h LEU 716 Ca 0.43 -0.47 0.13 0.00 -0.12 0.00 0.00 57.88 57.84 1vsy h LEU 716 Cb 0.55 -0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.35 1vsy h LEU 716 CO -0.32 0.60 0.33 0.58 -0.62 0.00 0.00 178.44 179.00 1vsy h VAL 717 N -0.29 0.73 -0.50 1.05 2.07 -0.76 -0.05 116.25 118.50 1vsy h VAL 717 Ca 0.01 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1vsy h VAL 717 Cb 0.55 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1vsy h VAL 717 CO 0.01 0.09 -0.10 1.56 0.02 0.00 0.00 177.57 179.15 1vsy h GLN 718 N 0.51 0.92 -0.59 1.57 4.20 -1.25 -1.86 115.11 118.62 1vsy h GLN 718 Ca 0.40 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1vsy h GLN 718 Cb 0.54 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1vsy h GLN 718 CO -0.35 0.98 0.01 1.96 -0.67 0.00 0.00 178.83 180.76 1vsy h GLN 719 N 0.83 1.04 -0.43 1.46 4.20 -0.96 0.17 115.11 121.42 1vsy h GLN 719 Ca 0.13 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1vsy h GLN 719 Cb 0.64 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1vsy h GLN 719 CO 0.04 1.02 0.25 1.25 -0.67 0.00 0.00 178.83 180.72 1vsy h HIS 720 N 0.93 0.58 0.12 2.96 2.76 -0.99 -2.28 115.15 119.23 1vsy h HIS 720 Ca 0.17 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1vsy h HIS 720 Cb 0.54 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1vsy h HIS 720 CO 0.04 0.42 -0.06 0.35 -1.30 0.00 0.00 177.93 177.38 1vsy h PHE 721 N 0.57 -0.15 -0.76 5.26 3.57 -1.08 -0.91 116.94 123.44 1vsy h PHE 721 Ca 0.15 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.83 1vsy h PHE 721 Cb 0.02 0.05 -0.12 0.00 2.79 0.00 0.00 35.95 38.68 1vsy h PHE 721 CO -0.03 0.12 0.09 -0.92 -2.23 0.00 0.00 178.31 175.34 1vsy h TYR 722 N -0.41 0.11 0.37 0.41 3.20 -0.67 -0.85 116.97 119.13 1vsy h TYR 722 Ca -0.02 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1vsy h TYR 722 Cb 0.33 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1vsy h TYR 722 CO 0.01 -0.18 -0.18 1.25 -1.64 0.00 0.00 178.16 177.42 1vsy h HIS 723 N 0.17 -0.46 -0.24 -3.82 2.76 -1.16 -2.82 115.15 109.58 1vsy h HIS 723 Ca 0.43 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.64 1vsy h HIS 723 Cb 0.77 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1vsy h HIS 723 CO -0.34 -0.26 0.17 0.97 -1.30 0.00 0.00 177.93 177.17 1vsy h ILE 724 N -0.53 0.93 0.00 6.26 6.09 -0.55 -2.98 117.51 126.73 1vsy h ILE 724 Ca -0.05 -0.03 -0.14 0.00 -1.37 0.00 0.00 64.86 63.26 1vsy h ILE 724 Cb 0.40 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 1vsy h ILE 724 CO 0.08 0.02 -0.68 0.11 -3.07 0.00 0.00 178.15 174.61 1vsy h LYS 725 N 0.10 0.00 -0.73 2.19 1.79 -0.93 -3.31 116.57 115.68 1vsy h LYS 725 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1vsy h LYS 725 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1vsy h LYS 725 CO -0.01 0.68 0.00 0.00 -1.08 0.00 0.00 179.45 179.04 1vsy n GLY 727 N 0.43 2.58 3.69 0.00 0.00 -1.25 -5.05 105.19 105.58 1vsy n GLY 727 Ca 0.18 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1vsy n GLY 727 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsy n GLU 728 N 0.00 0.17 -3.85 1.61 -0.58 -1.22 -5.03 120.64 111.73 1vsy n GLU 728 Ca 0.00 0.14 -0.26 0.00 -0.42 0.00 0.00 57.16 56.62 1vsy n GLU 728 Cb 0.00 -2.44 -0.01 0.00 -0.57 0.00 0.00 31.44 28.42 1vsy n GLU 728 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1vsy s SER 729 N -2.12 4.66 0.25 1.62 1.04 -1.26 -4.27 113.70 113.60 1vsy s SER 729 Ca 0.73 -1.20 0.25 0.00 0.48 0.00 0.00 55.95 56.21 1vsy s SER 729 Cb -0.29 0.33 0.68 0.00 0.10 0.00 0.00 66.02 66.84 1vsy s SER 729 CO 0.51 -1.07 1.70 0.28 0.98 0.00 0.00 173.24 175.65 1vsy h SER 730 N 0.77 0.00 -0.08 7.02 0.02 -1.95 -3.05 113.55 116.27 1vsy h SER 730 Ca -0.37 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.45 1vsy h SER 730 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1vsy h SER 730 CO 0.57 0.01 -0.33 0.11 -1.14 0.00 0.00 176.83 176.05 1vsy h LYS 731 N 0.00 0.57 0.00 3.45 1.79 -1.98 -2.51 116.57 117.89 1vsy h LYS 731 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1vsy h LYS 731 Cb 0.79 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1vsy h LYS 731 CO 0.00 0.83 0.00 2.41 -1.08 0.00 0.00 179.45 181.61 1vsy n THR 732 N -4.07 0.25 -2.90 -0.16 -1.04 -1.15 -4.75 114.28 100.46 1vsy n THR 732 Ca -0.01 0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 1vsy n THR 732 Cb 0.47 -0.66 -0.05 0.00 -1.82 0.00 0.00 70.33 68.27 1vsy n THR 732 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1vsy s PHE 733 N -2.66 2.96 -0.25 -1.42 5.36 -0.95 -5.02 117.98 116.01 1vsy s PHE 733 Ca 0.21 0.28 -0.09 0.00 -0.96 0.00 0.00 56.93 56.37 1vsy s PHE 733 Cb 0.16 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 1vsy s PHE 733 CO 0.38 -1.03 0.11 1.03 -1.46 0.00 0.00 175.22 174.25 1vsy s ARG 734 N 3.50 3.83 0.00 10.12 1.81 -1.26 -5.02 118.95 131.94 1vsy s ARG 734 Ca 0.33 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.95 1vsy s ARG 734 Cb -0.11 -3.42 -0.00 0.00 -0.45 0.00 0.00 34.95 30.96 1vsy s ARG 734 CO 0.24 -0.08 -0.01 0.08 -0.68 0.00 0.00 175.30 174.85 1vsy s VAL 735 N 1.39 0.03 0.17 3.52 1.01 -1.26 -5.13 120.40 120.13 1vsy s VAL 735 Ca 0.06 -0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.50 1vsy s VAL 735 Cb -0.15 -0.07 -0.14 0.00 0.00 0.00 0.00 36.38 36.02 1vsy s VAL 735 CO 0.05 -0.11 1.53 -0.67 0.00 0.00 0.00 175.10 175.91 1vsy n ASP 736 N 2.76 2.91 0.26 3.32 2.03 -1.26 -4.86 116.55 121.71 1vsy n ASP 736 Ca -0.15 1.10 0.18 0.00 0.52 0.00 0.00 54.79 56.44 1vsy n ASP 736 Cb 0.59 -1.41 0.94 0.00 -0.72 0.00 0.00 41.12 40.52 1vsy n ASP 736 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1vsy h ASP 737 N 5.53 0.00 0.16 1.67 3.32 -2.00 -1.53 116.42 123.57 1vsy h ASP 737 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1vsy h ASP 737 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1vsy h ASP 737 CO 0.86 0.00 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.22 1vsy h GLU 738 N 0.00 -0.21 -0.76 3.56 4.57 -1.99 -3.23 114.58 116.51 1vsy h GLU 738 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1vsy h GLU 738 Cb 0.03 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1vsy h GLU 738 CO 0.00 0.15 0.35 -0.07 -1.18 0.00 0.00 179.01 178.26 1vsy h LEU 739 N -0.95 1.00 -0.68 1.64 3.38 -1.81 -2.48 115.31 115.41 1vsy h LEU 739 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1vsy h LEU 739 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vsy h LEU 739 CO 0.04 0.86 0.00 0.25 0.09 0.00 0.00 178.44 179.67 1vsy h LEU 740 N 1.09 0.00 0.00 1.67 5.85 -1.45 -1.06 115.31 121.41 1vsy h LEU 740 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1vsy h LEU 740 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1vsy h LEU 740 CO -0.03 0.00 -1.57 -3.20 -0.34 0.00 0.00 178.44 173.30 1vsy n ASN 741 N -2.40 0.40 -0.04 1.25 5.15 -1.04 -2.90 115.26 115.68 1vsy n ASN 741 Ca 0.03 -0.35 -0.15 0.00 -0.60 0.00 0.00 54.58 53.51 1vsy n ASN 741 Cb 0.28 1.54 -0.09 0.00 -0.53 0.00 0.00 39.78 40.99 1vsy n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1vsy h ASN 742 N 0.00 0.43 -0.89 1.20 2.35 -0.99 -2.71 115.58 114.97 1vsy h ASN 742 Ca 0.00 -0.62 0.01 0.00 -0.55 0.00 0.00 56.30 55.14 1vsy h ASN 742 Cb 0.81 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1vsy h ASN 742 CO 0.00 0.97 0.59 0.00 -1.65 0.00 0.00 177.43 177.34 1vsy h ALA 743 N 0.46 1.12 -0.14 -0.83 0.00 -1.32 0.11 119.26 118.67 1vsy h ALA 743 Ca -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1vsy h ALA 743 Cb 0.94 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1vsy h ALA 743 CO 0.07 0.53 -0.09 0.35 0.00 0.00 0.00 179.25 180.11 1vsy h PHE 744 N 1.20 0.35 -0.28 0.00 3.04 -1.60 -1.26 116.94 118.40 1vsy h PHE 744 Ca 0.32 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 62.09 1vsy h PHE 744 Cb -0.14 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1vsy h PHE 744 CO -0.01 0.66 -0.18 0.87 -2.02 0.00 0.00 178.31 177.63 1vsy h LYS 745 N -0.05 0.61 0.00 1.11 1.57 -1.36 -2.84 116.57 115.61 1vsy h LYS 745 Ca 0.03 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1vsy h LYS 745 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1vsy h LYS 745 CO 0.02 0.87 -0.14 0.00 -0.57 0.00 0.00 179.45 179.64 1vsy h ALA 746 N 0.73 1.32 0.00 3.86 0.00 -0.84 -2.02 119.26 122.31 1vsy h ALA 746 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1vsy h ALA 746 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1vsy h ALA 746 CO 0.05 0.17 -0.21 0.66 0.00 0.00 0.00 179.25 179.92 1vsy h SER 747 N 0.00 0.00 -0.09 0.00 4.64 -0.97 -3.00 113.55 114.13 1vsy h SER 747 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vsy h SER 747 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1vsy h SER 747 CO 0.02 0.21 0.00 0.35 -0.87 0.00 0.00 176.83 176.54 1vsy n THR 748 N -3.59 0.30 0.03 2.95 -2.24 -0.76 -3.88 114.28 107.10 1vsy n THR 748 Ca -0.01 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1vsy n THR 748 Cb 0.35 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 1vsy n THR 748 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy h THR 749 N 0.58 0.73 0.00 4.28 1.03 -1.68 -3.37 112.91 114.48 1vsy h THR 749 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.01 1vsy h THR 749 Cb 0.51 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 1vsy h THR 749 CO 0.05 0.88 0.00 0.52 -0.01 0.00 0.00 175.52 176.96 1vsy n VAL 750 N -3.54 1.42 -0.22 0.00 0.31 -1.25 -3.56 118.33 111.49 1vsy n VAL 750 Ca -0.30 0.36 0.20 0.00 -0.01 0.00 0.00 64.34 64.59 1vsy n VAL 750 Cb 1.05 -1.32 0.55 0.00 -0.91 0.00 0.00 33.84 33.21 1vsy n VAL 750 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1vsy h PHE 751 N 0.00 0.44 0.07 3.52 0.05 -1.86 -2.16 116.94 117.00 1vsy h PHE 751 Ca 0.00 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 1vsy h PHE 751 Cb 0.03 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 37.84 1vsy h PHE 751 CO 0.00 0.12 -0.03 0.37 -0.18 0.00 0.00 178.31 178.58 1vsy h GLN 752 N 0.33 -0.09 0.00 1.51 4.15 -1.93 -2.81 115.11 116.27 1vsy h GLN 752 Ca 0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1vsy h GLN 752 Cb 1.23 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1vsy h GLN 752 CO -0.14 0.47 0.00 0.66 -1.93 0.00 0.00 178.83 177.89 1vsy h SER 753 N -0.81 0.00 0.36 -0.69 4.64 -1.77 -2.95 113.55 112.34 1vsy h SER 753 Ca -0.01 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1vsy h SER 753 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1vsy h SER 753 CO 0.02 0.00 -1.81 0.80 -0.87 0.00 0.00 176.83 174.97 1vsy n MET 754 N -2.62 0.68 0.13 4.77 0.00 -0.84 -4.03 117.12 115.21 1vsy n MET 754 Ca 0.00 0.28 -0.01 0.00 -0.00 0.00 0.00 57.70 57.98 1vsy n MET 754 Cb 0.18 -1.76 0.23 0.00 0.00 0.00 0.00 33.22 31.86 1vsy n MET 754 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1vsy h LEU 755 N 0.02 0.09 -2.09 -0.89 3.38 -1.32 -1.03 115.31 113.48 1vsy h LEU 755 Ca -0.33 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1vsy h LEU 755 Cb 2.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1vsy h LEU 755 CO 0.08 0.58 0.00 0.50 0.09 0.00 0.00 178.44 179.69 1vsy h LYS 756 N 0.07 0.00 0.00 1.13 3.11 -1.69 -0.07 116.57 119.12 1vsy h LYS 756 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1vsy h LYS 756 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 1vsy h LYS 756 CO 0.07 0.00 -2.04 0.28 -2.81 0.00 0.00 179.45 174.95 1vsy n VAL 757 N -2.83 0.29 0.00 2.00 0.31 -0.68 -3.34 118.33 114.07 1vsy n VAL 757 Ca -0.01 -0.55 -0.17 0.00 -0.01 0.00 0.00 64.34 63.59 1vsy n VAL 757 Cb 0.14 -0.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.85 1vsy n VAL 757 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1vsy h TYR 758 N 0.00 0.42 -0.72 3.52 3.20 -0.48 -2.73 116.97 120.17 1vsy h TYR 758 Ca -0.11 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 1vsy h TYR 758 Cb 1.23 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1vsy h TYR 758 CO 0.00 1.12 0.44 0.28 -1.64 0.00 0.00 178.16 178.36 1vsy h VAL 759 N -0.41 1.20 -0.51 1.81 2.07 -1.22 0.38 116.25 119.57 1vsy h VAL 759 Ca -0.07 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1vsy h VAL 759 Cb 1.29 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1vsy h VAL 759 CO 0.10 0.21 0.16 -0.08 0.02 0.00 0.00 177.57 177.97 1vsy h GLU 760 N 0.98 0.32 0.00 1.57 4.81 -1.66 -2.02 114.58 118.58 1vsy h GLU 760 Ca 0.26 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1vsy h GLU 760 Cb -0.05 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1vsy h GLU 760 CO -0.05 0.21 -0.04 0.87 -0.73 0.00 0.00 179.01 179.27 1vsy h LYS 761 N 0.33 0.00 0.08 1.92 1.79 -1.02 -2.57 116.57 117.10 1vsy h LYS 761 Ca 0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1vsy h LYS 761 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1vsy h LYS 761 CO -0.27 0.04 -0.04 0.82 -1.08 0.00 0.00 179.45 178.92 1vsy h ILE 762 N 0.00 1.20 0.00 1.86 1.08 -0.26 -2.93 117.51 118.46 1vsy h ILE 762 Ca -0.00 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.16 1vsy h ILE 762 Cb 0.58 1.99 -0.00 0.00 -3.07 0.00 0.00 36.82 36.32 1vsy h ILE 762 CO 0.01 0.30 -0.08 -0.26 -0.69 0.00 0.00 178.15 177.43 1vsy h PHE 763 N -0.73 0.00 0.00 1.37 -1.00 -1.34 0.29 116.94 115.54 1vsy h PHE 763 Ca -0.01 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 1vsy h PHE 763 Cb 0.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1vsy h PHE 763 CO 0.12 0.08 -0.43 1.96 -1.61 0.00 0.00 178.31 178.42 1vsy h GLN 764 N 0.00 0.00 0.00 1.51 4.20 -1.51 -3.10 115.11 116.20 1vsy h GLN 764 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1vsy h GLN 764 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1vsy h GLN 764 CO 0.01 0.43 -0.31 1.28 -0.67 0.00 0.00 178.83 179.57 1vsy n LEU 765 N -3.89 0.60 0.30 1.46 4.77 0.95 -3.38 117.00 117.81 1vsy n LEU 765 Ca -0.01 0.35 0.17 0.00 -0.03 0.00 0.00 56.01 56.49 1vsy n LEU 765 Cb 0.48 -0.29 0.97 0.00 -2.33 0.00 0.00 43.42 42.25 1vsy n LEU 765 CO 0.39 -0.06 1.11 0.58 -1.33 0.00 0.00 177.39 178.08 1vsy h VAL 766 N 0.00 0.36 -0.56 4.08 2.07 -1.24 -2.85 116.25 118.11 1vsy h VAL 766 Ca 0.00 -0.11 -0.28 0.00 0.82 0.00 0.00 66.70 67.13 1vsy h VAL 766 Cb 0.67 1.08 -0.16 0.00 -1.52 0.00 0.00 31.29 31.35 1vsy h VAL 766 CO 0.00 0.02 0.16 0.47 0.02 0.00 0.00 177.57 178.24 1vsy n ASP 767 N -3.56 3.03 -4.43 0.57 8.00 -1.22 -1.53 116.55 117.43 1vsy n ASP 767 Ca -0.03 -3.67 -0.29 0.00 0.71 0.00 0.00 54.79 51.52 1vsy n ASP 767 Cb 0.11 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.39 1vsy n ASP 767 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vsy s VAL 768 N -3.23 2.45 -0.15 2.53 1.01 -1.08 -4.93 120.40 117.00 1vsy s VAL 768 Ca 0.49 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1vsy s VAL 768 Cb 0.43 -2.12 0.15 0.00 0.00 0.00 0.00 36.38 34.85 1vsy s VAL 768 CO 0.04 0.05 1.60 -0.67 0.00 0.00 0.00 175.10 176.13 1vsy n ASP 769 N 0.75 4.50 -4.76 3.32 2.03 -1.26 -4.83 116.55 116.31 1vsy n ASP 769 Ca -0.16 -2.60 -0.37 0.00 0.52 0.00 0.00 54.79 52.18 1vsy n ASP 769 Cb 0.53 -0.82 0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1vsy n ASP 769 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1vsy s LEU 770 N -0.96 3.79 -0.19 -2.67 0.05 -1.26 -5.03 118.68 112.42 1vsy s LEU 770 Ca 0.16 2.47 -0.10 0.00 0.05 0.00 0.00 54.13 56.72 1vsy s LEU 770 Cb 0.13 -4.43 0.07 0.00 -2.05 0.00 0.00 46.19 39.91 1vsy s LEU 770 CO 0.01 -1.44 0.45 -1.61 -0.55 0.00 0.00 176.35 173.22 1vsy s GLU 771 N -3.07 0.43 3.12 1.48 2.02 -1.26 -4.90 118.70 116.52 1vsy s GLU 771 Ca 0.73 0.88 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1vsy s GLU 771 Cb -0.33 0.04 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1vsy s GLU 771 CO 0.37 -0.17 0.00 -0.25 0.02 0.00 0.00 175.26 175.24 1vsy n ASP 772 N 4.39 0.00 -0.35 -0.19 8.00 -1.26 -4.00 116.55 123.13 1vsy n ASP 772 Ca -0.21 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.30 1vsy n ASP 772 Cb 0.55 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.72 1vsy n ASP 772 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1vsy n SER 773 N 6.54 -0.53 0.19 -2.24 7.64 -1.26 -0.81 113.62 123.15 1vsy n SER 773 Ca 0.00 1.63 0.10 0.00 1.01 0.00 0.00 58.87 61.61 1vsy n SER 773 Cb 0.00 -0.41 0.13 0.00 -1.01 0.00 0.00 64.21 62.92 1vsy n SER 773 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1vsy h LEU 774 N 0.00 0.00 -0.37 -3.43 5.85 -1.98 -2.37 115.31 113.01 1vsy h LEU 774 Ca 0.36 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 1vsy h LEU 774 Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1vsy h LEU 774 CO -0.94 0.09 -0.08 0.58 -0.34 0.00 0.00 178.44 177.74 1vsy h VAL 775 N 0.00 1.28 0.77 1.05 2.07 -1.23 -2.98 116.25 117.20 1vsy h VAL 775 Ca -0.00 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1vsy h VAL 775 Cb 1.07 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1vsy h VAL 775 CO 0.01 0.38 -0.37 0.74 0.02 0.00 0.00 177.57 178.35 1vsy h THR 776 N 0.51 0.00 -1.53 2.57 2.02 -1.14 -2.86 112.91 112.47 1vsy h THR 776 Ca 0.09 -0.13 0.46 0.00 0.77 0.00 0.00 66.41 67.60 1vsy h THR 776 Cb 0.59 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.91 1vsy h THR 776 CO 0.04 0.00 1.06 0.50 0.37 0.00 0.00 175.52 177.49 1vsy h LYS 777 N -1.17 0.05 -0.02 6.66 3.64 -1.53 0.40 116.57 124.60 1vsy h LYS 777 Ca -0.11 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.05 1vsy h LYS 777 Cb 0.79 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1vsy h LYS 777 CO 0.17 0.03 -0.89 0.82 -2.27 0.00 0.00 179.45 177.31 1vsy h ILE 778 N 0.05 1.38 0.00 2.00 2.04 -1.37 -2.34 117.51 119.27 1vsy h ILE 778 Ca 0.80 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.24 1vsy h ILE 778 Cb 2.92 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 41.32 1vsy h ILE 778 CO -0.17 0.71 -0.36 0.78 0.00 0.00 0.00 178.15 179.11 1vsy h ASN 779 N 0.26 0.00 -0.38 1.72 2.35 -0.03 -1.42 115.58 118.08 1vsy h ASN 779 Ca -0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1vsy h ASN 779 Cb 1.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 1vsy h ASN 779 CO 0.16 0.36 0.04 1.56 -1.65 0.00 0.00 177.43 177.89 1vsy h GLN 780 N 0.00 0.65 -0.26 0.81 1.08 -1.11 -1.68 115.11 114.60 1vsy h GLN 780 Ca -0.00 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 56.93 1vsy h GLN 780 Cb 0.82 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1vsy h GLN 780 CO 0.05 0.73 -0.15 1.15 -0.95 0.00 0.00 178.83 179.65 1vsy h THR 781 N 0.49 1.23 0.00 -0.54 2.02 -1.05 0.18 112.91 115.24 1vsy h THR 781 Ca 0.11 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 1vsy h THR 781 Cb 0.41 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1vsy h THR 781 CO 0.01 0.33 -0.77 0.74 0.37 0.00 0.00 175.52 176.20 1vsy h THR 782 N 0.41 1.53 0.00 3.16 2.02 -1.23 -2.18 112.91 116.62 1vsy h THR 782 Ca 0.07 -2.68 -0.08 0.00 0.77 0.00 0.00 66.41 64.50 1vsy h THR 782 Cb 0.51 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 1vsy h THR 782 CO 0.03 0.76 -0.98 0.24 0.37 0.00 0.00 175.52 175.94 1vsy h MET 783 N 0.00 0.00 0.13 6.66 2.07 -0.91 -3.03 114.93 119.85 1vsy h MET 783 Ca -0.01 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.40 1vsy h MET 783 Cb 1.39 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 31.15 1vsy h MET 783 CO 0.10 0.19 -0.97 0.82 1.07 0.00 0.00 176.91 178.13 1vsy h ILE 784 N 0.00 1.42 -0.93 -1.22 2.04 -0.71 -3.02 117.51 115.09 1vsy h ILE 784 Ca -0.06 -2.47 0.14 0.00 1.00 0.00 0.00 64.86 63.47 1vsy h ILE 784 Cb 1.29 2.99 -0.08 0.00 -0.74 0.00 0.00 36.82 40.28 1vsy h ILE 784 CO 0.03 0.72 0.59 -0.07 0.00 0.00 0.00 178.15 179.42 1vsy h LEU 785 N -0.13 0.73 -0.33 1.44 3.38 -1.50 -2.14 115.31 116.77 1vsy h LEU 785 Ca -0.16 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1vsy h LEU 785 Cb 1.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1vsy h LEU 785 CO 0.18 0.36 0.05 1.56 0.09 0.00 0.00 178.44 180.68 1vsy h GLN 786 N 0.77 0.55 0.00 1.13 4.20 -1.56 -3.19 115.11 117.01 1vsy h GLN 786 Ca 0.47 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 1vsy h GLN 786 Cb 0.69 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1vsy h GLN 786 CO -0.23 0.64 -0.18 0.93 -0.67 0.00 0.00 178.83 179.32 1vsy h GLU 787 N 0.37 0.00 -1.07 1.46 4.39 -1.27 -2.57 114.58 115.89 1vsy h GLU 787 Ca 0.10 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.44 1vsy h GLU 787 Cb 0.36 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.81 1vsy h GLU 787 CO 0.01 0.18 0.46 0.43 -1.16 0.00 0.00 179.01 178.92 1vsy n SER 788 N -3.30 4.18 -4.15 1.42 7.64 -0.86 -0.14 113.62 118.41 1vsy n SER 788 Ca 0.01 -3.09 -0.29 0.00 1.01 0.00 0.00 58.87 56.50 1vsy n SER 788 Cb 0.43 -0.78 -0.17 0.00 -1.01 0.00 0.00 64.21 62.68 1vsy n SER 788 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1vsy s MET 789 N -2.20 2.38 0.60 1.43 -1.94 -0.97 0.24 119.30 118.84 1vsy s MET 789 Ca 0.38 -0.70 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 1vsy s MET 789 Cb 0.31 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 35.22 1vsy s MET 789 CO 0.06 0.16 1.03 0.16 -0.01 0.00 0.00 175.02 176.42 1vsy s ASP 790 N 0.34 6.09 0.36 3.03 1.47 -1.07 -4.71 116.67 122.17 1vsy s ASP 790 Ca -0.14 1.58 0.13 0.00 1.18 0.00 0.00 52.55 55.30 1vsy s ASP 790 Cb -0.16 -2.50 0.97 0.00 -0.34 0.00 0.00 42.92 40.89 1vsy s ASP 790 CO 0.06 -0.96 1.76 0.44 0.68 0.00 0.00 175.17 177.15 1vsy h ASP 791 N 0.11 0.58 0.06 2.11 3.32 -1.93 0.12 116.42 120.79 1vsy h ASP 791 Ca -0.45 0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.72 1vsy h ASP 791 Cb 1.20 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1vsy h ASP 791 CO 0.60 0.12 -0.48 0.11 -1.72 0.00 0.00 179.24 177.87 1vsy h LYS 792 N 0.52 -0.65 -0.14 3.56 1.57 -1.97 0.23 116.57 119.68 1vsy h LYS 792 Ca 0.61 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.34 1vsy h LYS 792 Cb 1.31 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1vsy h LYS 792 CO -0.37 -0.43 -0.28 0.82 -0.57 0.00 0.00 179.45 178.61 1vsy h ILE 793 N -0.68 1.36 -0.05 1.86 1.08 -1.61 -3.21 117.51 116.27 1vsy h ILE 793 Ca 0.02 -1.54 0.02 0.00 -0.39 0.00 0.00 64.86 62.96 1vsy h ILE 793 Cb 0.71 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 1vsy h ILE 793 CO -0.30 0.46 -0.04 0.15 -0.69 0.00 0.00 178.15 177.72 1vsy h PHE 794 N 0.05 -0.10 0.00 1.37 3.57 -0.77 0.55 116.94 121.61 1vsy h PHE 794 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1vsy h PHE 794 Cb 0.87 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1vsy h PHE 794 CO 0.10 -0.07 0.08 -0.91 -2.23 0.00 0.00 178.31 175.28 1vsy h ASN 795 N -0.05 0.00 0.00 0.41 2.35 -1.02 0.23 115.58 117.49 1vsy h ASN 795 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1vsy h ASN 795 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1vsy h ASN 795 CO -0.08 0.00 -0.29 0.22 -1.65 0.00 0.00 177.43 175.62 1vsy h TYR 796 N 0.00 0.00 -1.00 1.19 3.20 -1.18 -3.23 116.97 115.95 1vsy h TYR 796 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1vsy h TYR 796 Cb 0.17 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.34 1vsy h TYR 796 CO 0.00 0.93 0.62 0.35 -1.64 0.00 0.00 178.16 178.41 1vsy h PHE 797 N -1.00 1.04 0.39 -3.82 3.57 0.80 -1.98 116.94 115.94 1vsy h PHE 797 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1vsy h PHE 797 Cb 0.91 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1vsy h PHE 797 CO 0.18 0.27 -0.19 0.00 -2.23 0.00 0.00 178.31 176.35 1vsy h ALA 798 N 1.62 -0.52 0.00 2.41 0.00 -0.78 -1.04 119.26 120.95 1vsy h ALA 798 Ca 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1vsy h ALA 798 Cb 0.84 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vsy h ALA 798 CO -0.34 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.03 1vsy n SER 799 N -5.28 0.00 -0.07 0.00 3.41 -0.90 -1.04 113.62 109.74 1vsy n SER 799 Ca -0.11 -0.37 -0.05 0.00 -0.26 0.00 0.00 58.87 58.09 1vsy n SER 799 Cb 0.25 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.04 1vsy n SER 799 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1vsy n LEU 800 N -1.01 0.00 -0.00 1.04 7.94 -0.79 -2.75 117.00 121.42 1vsy n LEU 800 Ca 0.09 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1vsy n LEU 800 Cb 0.04 0.34 -0.08 0.00 0.53 0.00 0.00 43.42 44.25 1vsy n LEU 800 CO 0.07 0.34 0.35 -0.07 -1.11 0.00 0.00 177.39 176.97 1vsy h LEU 801 N 0.00 -0.09 -0.68 -1.96 3.38 -0.52 -2.56 115.31 112.88 1vsy h LEU 801 Ca -0.37 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.20 1vsy h LEU 801 Cb 1.82 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.48 1vsy h LEU 801 CO 0.02 0.59 -0.42 0.78 0.09 0.00 0.00 178.44 179.50 1vsy h ASN 802 N -0.90 -1.48 0.45 -0.43 2.35 -1.30 0.26 115.58 114.53 1vsy h ASN 802 Ca -0.01 0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1vsy h ASN 802 Cb 0.58 0.70 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 1vsy h ASN 802 CO 0.02 -0.31 -0.41 -0.09 -1.65 0.00 0.00 177.43 174.98 1vsy h ARG 803 N -0.16 -0.83 0.00 0.81 2.43 -1.62 -3.12 114.38 111.89 1vsy h ARG 803 Ca 0.22 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1vsy h ARG 803 Cb 0.56 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1vsy h ARG 803 CO -0.76 -0.56 -0.16 -0.91 -1.51 0.00 0.00 179.97 176.07 1vsy h ASN 804 N -0.86 0.00 -0.19 -3.80 2.35 -1.08 -2.75 115.58 109.24 1vsy h ASN 804 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1vsy h ASN 804 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1vsy h ASN 804 CO -0.04 0.16 -0.21 0.15 -1.65 0.00 0.00 177.43 175.84 1vsy h PHE 805 N 0.00 0.70 0.00 1.19 3.57 -0.44 -3.32 116.94 118.65 1vsy h PHE 805 Ca -0.00 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 1vsy h PHE 805 Cb 0.64 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1vsy h PHE 805 CO 0.00 0.79 -0.32 -1.49 -2.23 0.00 0.00 178.31 175.06 1vsy h TRP 806 N 0.56 0.00 -2.12 0.41 4.06 -1.51 -3.41 115.95 113.93 1vsy h TRP 806 Ca 0.08 0.00 -0.70 0.00 2.06 0.00 0.00 58.89 60.34 1vsy h TRP 806 Cb 0.66 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.66 1vsy h TRP 806 CO 0.03 0.14 1.15 0.45 -3.56 0.00 0.00 178.44 176.65 1vsy s SER 807 N -5.75 6.78 0.01 -3.49 0.15 -1.05 -4.97 113.70 105.39 1vsy s SER 807 Ca -0.10 -2.34 -0.03 0.00 0.70 0.00 0.00 55.95 54.19 1vsy s SER 807 Cb 0.01 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1vsy s SER 807 CO 0.17 -1.00 0.03 0.54 1.20 0.00 0.00 173.24 174.18 1vsy s ASN 808 N 3.52 0.17 -0.57 5.45 2.20 -1.25 -4.63 114.94 119.83 1vsy s ASN 808 Ca 0.38 -0.41 0.04 0.00 -0.94 0.00 0.00 52.86 51.94 1vsy s ASN 808 Cb -0.03 0.14 0.36 0.00 -2.00 0.00 0.00 41.25 39.72 1vsy s ASN 808 CO -0.05 -0.33 1.08 0.47 -2.94 0.00 0.00 177.10 175.32 1vsy n ASP 809 N 1.50 4.80 -0.13 3.54 8.00 -1.26 -4.83 116.55 128.18 1vsy n ASP 809 Ca -0.23 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.56 1vsy n ASP 809 Cb 0.55 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1vsy n ASP 809 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1vsy n SER 810 N -0.32 0.00 -1.27 -2.24 7.64 -1.26 -4.84 113.62 111.34 1vsy n SER 810 Ca 0.35 -1.25 -0.08 0.00 1.01 0.00 0.00 58.87 58.90 1vsy n SER 810 Cb 0.46 -0.05 0.13 0.00 -1.01 0.00 0.00 64.21 63.74 1vsy n SER 810 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1vsy n PHE 811 N 0.00 1.29 0.00 1.43 3.01 -1.26 -4.50 117.46 117.43 1vsy n PHE 811 Ca 0.00 -1.84 0.00 0.00 1.01 0.00 0.00 57.45 56.62 1vsy n PHE 811 Cb 0.55 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1vsy n PHE 811 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1vsy n LYS 812 N -0.94 0.00 -0.01 -1.08 4.01 -1.26 -4.89 118.16 113.99 1vsy n LYS 812 Ca 0.31 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1vsy n LYS 812 Cb 0.83 -0.31 -0.00 0.00 -0.51 0.00 0.00 35.03 35.04 1vsy n LYS 812 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1vsy n GLU 813 N -0.14 0.00 0.00 1.97 -0.58 -1.26 -4.64 120.64 115.99 1vsy n GLU 813 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vsy n GLU 813 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 1vsy n GLU 813 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1vsy n LYS 814 N 0.04 0.00 -3.80 3.49 4.81 -1.26 -3.93 118.16 117.50 1vsy n LYS 814 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1vsy n LYS 814 Cb -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1vsy n LYS 814 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1vsy s ASP 815 N -0.77 4.16 0.51 3.14 2.15 -1.26 -4.92 116.67 119.68 1vsy s ASP 815 Ca 0.00 -1.95 -0.07 0.00 0.43 0.00 0.00 52.55 50.96 1vsy s ASP 815 Cb 0.00 -1.09 -0.04 0.00 -0.30 0.00 0.00 42.92 41.49 1vsy s ASP 815 CO 0.00 -0.38 0.84 -2.16 -0.17 0.00 0.00 175.17 173.30 1vsy s PRO 816 N 1.20 3.57 -1.17 4.34 0.05 -1.25 -4.96 135.00 136.78 1vsy s PRO 816 Ca 0.11 0.35 -0.14 0.00 0.05 0.00 0.00 61.00 61.37 1vsy s PRO 816 Cb -0.19 -2.30 0.17 0.00 0.05 0.00 0.00 34.50 32.23 1vsy s PRO 816 CO -0.17 -0.28 1.37 -0.80 0.05 0.00 0.00 177.00 177.17 1vsy s ASN 817 N -4.08 7.04 0.24 6.66 0.01 -0.58 -4.83 114.94 119.41 1vsy s ASN 817 Ca 0.49 -2.93 -0.06 0.00 -0.71 0.00 0.00 52.86 49.65 1vsy s ASN 817 Cb -0.10 -2.39 0.25 0.00 0.41 0.00 0.00 41.25 39.42 1vsy s ASN 817 CO 0.46 -0.75 1.89 1.88 -1.51 0.00 0.00 177.10 179.08 1vsy h TYR 818 N 7.30 1.24 -0.88 2.20 -1.99 -1.95 -2.96 116.97 119.94 1vsy h TYR 818 Ca 0.29 -0.00 0.27 0.00 2.00 0.00 0.00 58.73 61.29 1vsy h TYR 818 Cb 0.89 -0.41 -0.16 0.00 2.00 0.00 0.00 36.73 39.05 1vsy h TYR 818 CO 1.09 0.82 0.13 0.39 -0.00 0.00 0.00 178.16 180.58 1vsy n GLU 819 N -4.35 -0.07 0.02 4.88 4.71 -1.26 -0.83 120.64 123.74 1vsy n GLU 819 Ca 0.11 1.29 0.03 0.00 -0.01 0.00 0.00 57.16 58.58 1vsy n GLU 819 Cb 0.06 -2.11 0.16 0.00 -1.01 0.00 0.00 31.44 28.53 1vsy n GLU 819 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1vsy n LEU 820 N -5.21 0.09 0.00 -4.62 4.77 -1.12 -2.63 117.00 108.28 1vsy n LEU 820 Ca 0.24 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1vsy n LEU 820 Cb 0.78 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1vsy n LEU 820 CO -0.05 -0.49 -0.27 0.52 -1.33 0.00 0.00 177.39 175.77 1vsy n VAL 821 N -1.61 0.00 -0.10 4.08 0.31 -0.01 -4.66 118.33 116.34 1vsy n VAL 821 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1vsy n VAL 821 Cb 0.06 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1vsy n VAL 821 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1vsy h THR 822 N 0.00 1.25 -0.08 2.52 1.35 -1.34 -3.13 112.91 113.47 1vsy h THR 822 Ca 0.00 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 1vsy h THR 822 Cb 0.55 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1vsy h THR 822 CO 0.00 0.28 0.03 0.40 -0.25 0.00 0.00 175.52 175.98 1vsy h ILE 823 N 0.30 1.15 -0.06 6.82 2.04 -1.74 -2.32 117.51 123.69 1vsy h ILE 823 Ca 0.08 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1vsy h ILE 823 Cb 0.39 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1vsy h ILE 823 CO 0.01 0.13 0.28 -0.65 0.00 0.00 0.00 178.15 177.92 1vsy h PRO 824 N -0.05 0.00 0.19 2.37 0.11 -1.77 -1.06 132.00 131.78 1vsy h PRO 824 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1vsy h PRO 824 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1vsy h PRO 824 CO -0.00 0.00 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.63 1vsy h LEU 825 N 0.00 -0.21 -1.23 2.35 3.38 -1.37 -3.24 115.31 114.99 1vsy h LEU 825 Ca 0.03 -0.31 0.29 0.00 0.09 0.00 0.00 57.88 57.98 1vsy h LEU 825 Cb 0.59 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 1vsy h LEU 825 CO -0.00 0.31 0.66 0.00 0.09 0.00 0.00 178.44 179.50 1vsy h ALA 826 N -0.33 2.14 0.00 1.53 0.00 -0.93 0.34 119.26 122.01 1vsy h ALA 826 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vsy h ALA 826 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1vsy h ALA 826 CO 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.67 1vsy n ALA 827 N -2.41 1.90 0.09 0.00 0.00 -0.64 -1.27 120.51 118.18 1vsy n ALA 827 Ca 0.28 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1vsy n ALA 827 Cb 0.93 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 1vsy n ALA 827 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vsy h LEU 828 N 0.00 0.62 -0.56 0.00 3.38 -0.35 -3.31 115.31 115.09 1vsy h LEU 828 Ca 0.00 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.03 1vsy h LEU 828 Cb 0.39 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1vsy h LEU 828 CO 0.00 1.66 -0.60 0.58 0.09 0.00 0.00 178.44 180.17 1vsy h VAL 829 N 0.11 1.24 -0.02 1.22 2.07 -1.08 0.01 116.25 119.80 1vsy h VAL 829 Ca -0.28 -2.20 0.03 0.00 0.82 0.00 0.00 66.70 65.06 1vsy h VAL 829 Cb 2.10 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 34.08 1vsy h VAL 829 CO 0.20 0.59 -0.22 -0.09 0.02 0.00 0.00 177.57 178.07 1vsy h ARG 830 N 0.00 -0.33 -0.01 1.57 2.43 -1.27 -2.85 114.38 113.92 1vsy h ARG 830 Ca -0.01 0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 1vsy h ARG 830 Cb 1.21 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1vsy h ARG 830 CO 0.08 -0.22 -0.77 0.00 -1.51 0.00 0.00 179.97 177.55 1vsy h ARG 831 N -0.34 0.10 -2.31 0.20 3.08 -1.61 -3.40 114.38 110.10 1vsy h ARG 831 Ca 0.07 -0.10 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 1vsy h ARG 831 Cb 0.43 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 30.12 1vsy h ARG 831 CO -0.21 0.82 -0.98 -1.71 -1.07 0.00 0.00 179.97 176.81 1vsy n ASN 832 N -3.69 -0.02 -0.20 7.04 2.85 -0.03 -4.98 115.26 116.24 1vsy n ASN 832 Ca -0.02 -2.53 0.30 0.00 -0.11 0.00 0.00 54.58 52.23 1vsy n ASN 832 Cb 0.73 -0.59 0.69 0.00 1.24 0.00 0.00 39.78 41.85 1vsy n ASN 832 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1vsy h ASN 833 N 5.18 0.00 -0.27 1.20 -0.26 -1.73 0.03 115.58 119.73 1vsy h ASN 833 Ca 0.21 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.96 1vsy h ASN 833 Cb 0.89 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 1vsy h ASN 833 CO 0.42 0.00 0.18 1.23 -1.06 0.00 0.00 177.43 178.21 1vsy h GLY 834 N 0.00 0.37 2.00 2.83 0.00 -1.94 -1.84 103.07 104.50 1vsy h GLY 834 Ca 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1vsy h GLY 834 CO -0.00 0.13 0.00 1.41 0.00 0.00 0.00 176.54 178.08 1vsy h LEU 835 N 0.36 0.00 -0.05 3.11 3.38 -1.35 -3.25 115.31 117.51 1vsy h LEU 835 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1vsy h LEU 835 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vsy h LEU 835 CO -0.02 0.00 -0.25 0.77 0.09 0.00 0.00 178.44 179.03 1vsy h SER 836 N 0.00 0.30 -1.00 -0.43 4.64 -1.51 -2.97 113.55 112.59 1vsy h SER 836 Ca 0.00 -0.66 0.38 0.00 -0.47 0.00 0.00 61.79 61.03 1vsy h SER 836 Cb 0.18 -0.09 -0.17 0.00 -0.31 0.00 0.00 62.40 62.01 1vsy h SER 836 CO 0.00 0.92 0.47 0.50 -0.87 0.00 0.00 176.83 177.85 1vsy h LYS 837 N -0.30 0.06 0.00 4.77 3.64 -1.73 -1.67 116.57 121.35 1vsy h LYS 837 Ca -0.02 -0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.99 1vsy h LYS 837 Cb 0.91 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.65 1vsy h LYS 837 CO 0.05 0.04 -2.38 -1.91 -2.27 0.00 0.00 179.45 172.99 1vsy n GLU 838 N -5.25 0.68 -0.30 1.90 2.13 -1.25 -3.77 120.64 114.78 1vsy n GLU 838 Ca 0.35 0.03 -0.04 0.00 0.66 0.00 0.00 57.16 58.15 1vsy n GLU 838 Cb 1.15 -1.53 0.07 0.00 0.27 0.00 0.00 31.44 31.40 1vsy n GLU 838 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1vsy h LEU 839 N 0.00 0.99 -0.06 4.31 5.85 -1.18 -2.42 115.31 122.79 1vsy h LEU 839 Ca -0.54 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.08 1vsy h LEU 839 Cb 2.18 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 1vsy h LEU 839 CO 0.01 0.77 -0.05 0.58 -0.34 0.00 0.00 178.44 179.41 1vsy h VAL 840 N 1.12 1.36 0.00 1.05 2.07 -1.53 -2.32 116.25 117.99 1vsy h VAL 840 Ca 0.29 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1vsy h VAL 840 Cb -0.02 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1vsy h VAL 840 CO -0.05 0.32 0.00 0.03 0.02 0.00 0.00 177.57 177.89 1vsy h ARG 841 N -0.28 0.00 0.00 1.57 3.08 -1.64 -0.31 114.38 116.81 1vsy h ARG 841 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1vsy h ARG 841 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1vsy h ARG 841 CO 0.01 0.00 -1.38 1.15 -1.07 0.00 0.00 179.97 178.69 1vsy h THR 842 N 0.00 0.61 0.00 2.04 2.02 -1.26 -3.04 112.91 113.28 1vsy h THR 842 Ca 0.00 -2.16 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 1vsy h THR 842 Cb 0.06 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1vsy h THR 842 CO 0.00 0.35 -0.28 -0.07 0.37 0.00 0.00 175.52 175.89 1vsy h LEU 843 N 0.00 0.00 0.12 2.58 3.38 -0.52 -3.09 115.31 117.79 1vsy h LEU 843 Ca -0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 1vsy h LEU 843 Cb 1.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1vsy h LEU 843 CO 0.05 0.28 -1.87 -0.07 0.09 0.00 0.00 178.44 176.92 1vsy h LEU 844 N 0.00 0.41 -0.21 1.67 3.38 -1.42 -1.91 115.31 117.23 1vsy h LEU 844 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1vsy h LEU 844 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1vsy h LEU 844 CO 0.04 1.72 0.00 0.49 0.09 0.00 0.00 178.44 180.77 1vsy n PHE 845 N -3.45 0.06 -0.00 1.13 0.99 -1.15 -1.07 117.46 113.96 1vsy n PHE 845 Ca -0.27 -0.03 0.02 0.00 -0.00 0.00 0.00 57.45 57.16 1vsy n PHE 845 Cb 1.05 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.50 1vsy n PHE 845 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1vsy n HIS 846 N -0.42 0.00 -0.05 1.38 8.25 -1.17 -4.18 115.22 119.03 1vsy n HIS 846 Ca 0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 1vsy n HIS 846 Cb 0.07 -0.10 -0.13 0.00 1.12 0.00 0.00 29.99 30.96 1vsy n HIS 846 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vsy h ILE 847 N 0.00 1.24 -0.76 1.59 2.04 -1.13 -2.95 117.51 117.54 1vsy h ILE 847 Ca -0.01 -2.31 0.14 0.00 1.00 0.00 0.00 64.86 63.68 1vsy h ILE 847 Cb 0.25 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 1vsy h ILE 847 CO 0.00 0.54 0.50 0.11 0.00 0.00 0.00 178.15 179.30 1vsy h LYS 848 N -0.76 0.46 -0.10 2.37 1.57 -1.37 -1.03 116.57 117.71 1vsy h LYS 848 Ca -0.22 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1vsy h LYS 848 Cb 1.37 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1vsy h LYS 848 CO -0.05 0.30 0.02 1.49 -0.57 0.00 0.00 179.45 180.65 1vsy h GLU 849 N 0.47 0.16 -0.36 3.15 4.81 -1.72 -1.73 114.58 119.36 1vsy h GLU 849 Ca 0.37 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1vsy h GLU 849 Cb 0.77 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1vsy h GLU 849 CO -0.13 0.34 -0.22 1.96 -0.73 0.00 0.00 179.01 180.23 1vsy h GLN 850 N -0.05 0.70 0.25 1.92 1.08 -1.23 -2.58 115.11 115.19 1vsy h GLN 850 Ca 0.03 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1vsy h GLN 850 Cb 0.25 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1vsy h GLN 850 CO 0.00 0.86 -0.12 0.82 -0.95 0.00 0.00 178.83 179.44 1vsy h ILE 851 N 0.61 0.80 -0.26 2.54 2.04 -1.19 -2.15 117.51 119.91 1vsy h ILE 851 Ca 0.09 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1vsy h ILE 851 Cb 0.71 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1vsy h ILE 851 CO 0.05 0.07 0.26 0.11 0.00 0.00 0.00 178.15 178.65 1vsy h LYS 852 N -0.50 0.00 -0.98 2.37 1.57 -1.23 -1.44 116.57 116.37 1vsy h LYS 852 Ca -0.03 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.10 1vsy h LYS 852 Cb 0.37 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.36 1vsy h LYS 852 CO 0.06 0.00 0.45 2.89 -0.57 0.00 0.00 179.45 182.28 1vsy n ARG 853 N -3.87 2.93 -0.65 3.15 1.85 -0.98 -4.92 116.66 114.17 1vsy n ARG 853 Ca 0.03 -3.53 0.00 0.00 -1.00 0.00 0.00 57.85 53.36 1vsy n ARG 853 Cb 0.41 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.53 1vsy n ARG 853 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vsy n GLY 854 N -0.85 0.66 3.75 2.89 0.00 -0.54 -5.01 105.19 106.08 1vsy n GLY 854 Ca 0.58 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 46.08 1vsy n GLY 854 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy s ALA 855 N -2.00 3.38 -1.64 4.61 0.00 -0.82 -2.98 121.76 122.31 1vsy s ALA 855 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 1vsy s ALA 855 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1vsy s ALA 855 CO 0.00 -0.11 0.20 0.41 0.00 0.00 0.00 175.76 176.27 1vsy n GLY 856 N 1.58 -0.46 0.10 0.00 0.00 -1.26 -4.67 105.19 100.47 1vsy n GLY 856 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1vsy n GLY 856 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vsy h SER 857 N -0.47 0.18 -3.67 1.61 0.87 -1.87 -3.41 113.55 106.79 1vsy h SER 857 Ca -0.49 -0.34 -0.64 0.00 -1.23 0.00 0.00 61.79 59.10 1vsy h SER 857 Cb 1.35 -0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 63.11 1vsy h SER 857 CO 0.56 1.30 -0.18 -0.69 -0.53 0.00 0.00 176.83 177.29 1vsy s VAL 858 N -2.60 5.13 0.25 2.23 1.01 -1.26 -5.05 120.40 120.11 1vsy s VAL 858 Ca -0.09 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1vsy s VAL 858 Cb 0.08 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1vsy s VAL 858 CO 0.82 0.02 1.13 -0.60 0.00 0.00 0.00 175.10 176.47 1vsy s ARG 859 N 2.16 4.59 -0.29 2.72 3.52 -1.26 -4.96 118.95 125.42 1vsy s ARG 859 Ca 0.16 1.83 -0.15 0.00 -0.13 0.00 0.00 55.73 57.44 1vsy s ARG 859 Cb -0.16 -3.20 0.15 0.00 -1.56 0.00 0.00 34.95 30.18 1vsy s ARG 859 CO 0.11 0.12 0.96 -1.54 -0.81 0.00 0.00 175.30 174.14 1vsy s SER 860 N -0.59 -0.58 1.08 -2.12 1.04 -1.26 -5.14 113.70 106.13 1vsy s SER 860 Ca 0.47 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 1vsy s SER 860 Cb -0.32 1.48 0.23 0.00 0.10 0.00 0.00 66.02 67.51 1vsy s SER 860 CO 0.40 -0.13 1.13 -0.89 0.98 0.00 0.00 173.24 174.74 1vsy s THR 861 N 1.95 1.82 0.00 2.02 2.01 -1.26 -4.37 115.64 117.81 1vsy s THR 861 Ca -0.06 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1vsy s THR 861 Cb -0.05 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1vsy s THR 861 CO -0.16 0.00 0.00 -1.54 -0.69 0.00 0.00 174.62 172.23 1vsy n SER 862 N -4.34 0.00 -4.05 3.53 3.41 -1.26 -4.88 113.62 106.03 1vsy n SER 862 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1vsy n SER 862 Cb 0.59 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 1vsy n SER 862 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1vsy s GLU 863 N 0.00 0.51 -0.34 4.33 2.02 -1.26 -5.12 118.70 118.85 1vsy s GLU 863 Ca 0.00 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 1vsy s GLU 863 Cb 0.00 -0.31 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 1vsy s GLU 863 CO 0.00 0.06 0.50 0.42 0.02 0.00 0.00 175.26 176.26 1vsy s ILE 864 N -1.18 5.04 0.33 -1.63 1.01 -1.26 -4.85 121.20 118.65 1vsy s ILE 864 Ca -0.08 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1vsy s ILE 864 Cb -0.09 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 1vsy s ILE 864 CO 0.00 -0.16 1.50 0.00 0.00 0.00 0.00 174.94 176.29 1vsy n GLN 865 N 5.68 2.57 0.08 2.79 1.13 -1.26 -4.88 117.38 123.48 1vsy n GLN 865 Ca -0.05 0.91 0.10 0.00 -1.94 0.00 0.00 57.00 56.01 1vsy n GLN 865 Cb 0.49 -2.63 0.41 0.00 0.11 0.00 0.00 30.24 28.62 1vsy n GLN 865 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1vsy n GLN 866 N 1.32 0.11 0.00 -1.09 7.27 -1.26 -0.88 117.38 122.85 1vsy n GLN 866 Ca 0.06 0.36 0.14 0.00 0.07 0.00 0.00 57.00 57.63 1vsy n GLN 866 Cb 0.37 -1.72 0.64 0.00 2.41 0.00 0.00 30.24 31.94 1vsy n GLN 866 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1vsy n ARG 867 N -1.93 0.08 -0.06 3.69 1.85 -1.26 -3.41 116.66 115.62 1vsy n ARG 867 Ca 0.02 -0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.77 1vsy n ARG 867 Cb 0.19 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 29.96 1vsy n ARG 867 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1vsy n ASP 868 N -1.46 0.67 -0.22 2.89 8.00 -0.06 -4.57 116.55 121.81 1vsy n ASP 868 Ca 0.08 0.18 0.17 0.00 0.71 0.00 0.00 54.79 55.93 1vsy n ASP 868 Cb 0.32 0.31 0.32 0.00 -0.02 0.00 0.00 41.12 42.06 1vsy n ASP 868 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1vsy n VAL 869 N -2.97 -0.28 0.18 2.53 0.31 -1.14 0.15 118.33 117.11 1vsy n VAL 869 Ca -0.27 1.40 -0.14 0.00 -0.01 0.00 0.00 64.34 65.31 1vsy n VAL 869 Cb 1.09 -2.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.76 1vsy n VAL 869 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1vsy h LYS 870 N 0.00 -0.43 -0.92 5.55 1.57 -1.83 -1.35 116.57 119.16 1vsy h LYS 870 Ca 0.51 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.51 1vsy h LYS 870 Cb 1.26 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 1vsy h LYS 870 CO -0.56 -0.15 0.60 1.25 -0.57 0.00 0.00 179.45 180.02 1vsy h LEU 871 N -0.68 0.52 -0.56 2.94 5.85 0.11 -1.24 115.31 122.26 1vsy h LEU 871 Ca -0.05 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1vsy h LEU 871 Cb 0.48 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1vsy h LEU 871 CO 0.07 0.21 -0.53 0.58 -0.34 0.00 0.00 178.44 178.44 1vsy h VAL 872 N 0.53 1.32 0.68 1.05 2.07 -1.07 -1.95 116.25 118.87 1vsy h VAL 872 Ca 0.49 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1vsy h VAL 872 Cb 1.04 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1vsy h VAL 872 CO -0.22 0.55 -0.46 0.25 0.02 0.00 0.00 177.57 177.71 1vsy h LEU 873 N 0.41 -1.17 -1.66 2.57 5.85 -0.06 -0.47 115.31 120.77 1vsy h LEU 873 Ca 0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1vsy h LEU 873 Cb 1.06 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 1vsy h LEU 873 CO 0.10 -0.69 0.37 1.88 -0.34 0.00 0.00 178.44 179.76 1vsy h TYR 874 N -1.08 0.41 -0.03 1.25 0.99 -1.44 -0.51 116.97 116.57 1vsy h TYR 874 Ca -0.09 0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.43 1vsy h TYR 874 Cb 0.88 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.48 1vsy h TYR 874 CO -0.13 0.21 -0.91 -0.07 -0.00 0.00 0.00 178.16 177.26 1vsy h LEU 875 N 0.40 0.62 -0.29 3.88 3.38 -1.16 -0.98 115.31 121.17 1vsy h LEU 875 Ca 0.25 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1vsy h LEU 875 Cb 0.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1vsy h LEU 875 CO -0.06 1.26 -0.03 0.74 0.09 0.00 0.00 178.44 180.44 1vsy h THR 876 N 0.29 1.27 -0.43 0.22 2.02 -0.35 -1.92 112.91 114.02 1vsy h THR 876 Ca -0.08 -1.00 0.07 0.00 0.77 0.00 0.00 66.41 66.17 1vsy h THR 876 Cb 1.54 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 1vsy h THR 876 CO 0.16 0.32 0.08 0.00 0.37 0.00 0.00 175.52 176.45 1vsy h ALA 877 N 0.81 0.46 -0.43 6.16 0.00 -1.12 0.11 119.26 125.25 1vsy h ALA 877 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1vsy h ALA 877 Cb 0.48 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1vsy h ALA 877 CO 0.02 -0.32 0.20 1.25 0.00 0.00 0.00 179.25 180.40 1vsy h LEU 878 N 0.21 0.54 0.29 0.00 5.85 -1.05 0.11 115.31 121.26 1vsy h LEU 878 Ca 0.21 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1vsy h LEU 878 Cb 0.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1vsy h LEU 878 CO -0.28 0.47 -0.14 0.78 -0.34 0.00 0.00 178.44 178.93 1vsy h ASN 879 N 0.61 -0.33 0.07 1.25 2.35 -0.51 -1.74 115.58 117.27 1vsy h ASN 879 Ca 0.15 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1vsy h ASN 879 Cb 0.07 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1vsy h ASN 879 CO -0.02 0.11 -0.10 0.44 -1.65 0.00 0.00 177.43 176.21 1vsy h ASP 880 N -0.87 0.08 0.55 5.81 3.32 -0.68 -2.47 116.42 122.16 1vsy h ASP 880 Ca -0.04 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1vsy h ASP 880 Cb 0.52 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1vsy h ASP 880 CO 0.07 0.19 -1.52 0.52 -1.72 0.00 0.00 179.24 176.78 1vsy n VAL 881 N -4.37 0.68 -0.06 -1.35 0.31 0.36 -3.80 118.33 110.09 1vsy n VAL 881 Ca -0.02 -0.60 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 1vsy n VAL 881 Cb 0.20 -0.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 1vsy n VAL 881 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1vsy h LEU 882 N 0.00 0.51 -1.69 7.52 3.38 -1.25 -3.04 115.31 120.74 1vsy h LEU 882 Ca -0.10 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1vsy h LEU 882 Cb 1.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1vsy h LEU 882 CO 0.02 0.91 0.53 -0.09 0.09 0.00 0.00 178.44 179.90 1vsy h ARG 883 N 0.12 0.00 -0.03 1.13 9.65 -0.86 0.42 114.38 124.81 1vsy h ARG 883 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1vsy h ARG 883 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1vsy h ARG 883 CO 0.05 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.91 1vsy n ASN 884 N -3.21 2.37 -0.00 -3.80 3.02 -1.23 -4.50 115.26 107.91 1vsy n ASN 884 Ca 0.04 -2.76 -0.17 0.00 -0.03 0.00 0.00 54.58 51.66 1vsy n ASN 884 Cb 0.65 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 39.40 1vsy n ASN 884 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vsy n HIS 886 N -4.24 0.00 0.24 0.00 8.25 -1.26 -3.31 115.22 114.90 1vsy n HIS 886 Ca -0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1vsy n HIS 886 Cb 0.65 0.06 0.54 0.00 1.12 0.00 0.00 29.99 32.36 1vsy n HIS 886 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1vsy n GLU 887 N 12.47 0.15 0.00 -0.41 0.00 -1.26 -1.58 120.64 130.01 1vsy n GLU 887 Ca 0.00 0.56 0.11 0.00 0.00 0.00 0.00 57.16 57.83 1vsy n GLU 887 Cb 0.00 -1.92 0.51 0.00 0.00 0.00 0.00 31.44 30.03 1vsy n GLU 887 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1vsy n SER 888 N -2.23 0.00 -0.04 -1.84 3.41 -1.21 -2.19 113.62 109.51 1vsy n SER 888 Ca -0.00 0.22 0.14 0.00 -0.26 0.00 0.00 58.87 58.97 1vsy n SER 888 Cb 0.10 -0.39 0.53 0.00 -0.26 0.00 0.00 64.21 64.19 1vsy n SER 888 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1vsy n LEU 889 N -1.39 0.29 0.20 1.04 7.94 -0.62 -3.44 117.00 121.02 1vsy n LEU 889 Ca 0.08 0.19 0.06 0.00 -1.11 0.00 0.00 56.01 55.23 1vsy n LEU 889 Cb 0.21 -0.31 0.38 0.00 0.53 0.00 0.00 43.42 44.22 1vsy n LEU 889 CO 0.18 0.06 0.72 -0.07 -1.11 0.00 0.00 177.39 177.17 1vsy h LEU 890 N 0.21 0.00 0.29 -1.96 3.38 -1.65 -3.10 115.31 112.47 1vsy h LEU 890 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vsy h LEU 890 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1vsy h LEU 890 CO 0.00 0.34 -0.14 -0.33 0.09 0.00 0.00 178.44 178.40 1vsy h GLU 891 N 0.00 -0.37 -1.17 1.13 5.08 -1.79 -3.26 114.58 114.20 1vsy h GLU 891 Ca -0.00 0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.71 1vsy h GLU 891 Cb 0.83 0.08 -0.31 0.00 0.50 0.00 0.00 28.75 29.85 1vsy h GLU 891 CO 0.04 -0.07 0.59 2.48 -1.00 0.00 0.00 179.01 181.05 1vsy n TYR 892 N -5.13 3.13 0.36 4.33 0.18 -1.24 -4.74 117.16 114.05 1vsy n TYR 892 Ca -0.10 -2.79 -0.17 0.00 1.88 0.00 0.00 57.90 56.73 1vsy n TYR 892 Cb 0.25 -1.18 -0.09 0.00 -0.38 0.00 0.00 39.34 37.95 1vsy n TYR 892 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1vsy h SER 893 N 2.24 -1.10 0.17 9.48 0.87 -1.58 -2.96 113.55 120.67 1vsy h SER 893 Ca 0.55 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 61.16 1vsy h SER 893 Cb 0.78 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1vsy h SER 893 CO 1.41 -0.65 -0.10 0.44 -0.53 0.00 0.00 176.83 177.40 1vsy h ASP 894 N -1.03 0.00 1.42 6.23 5.19 -1.89 -1.15 116.42 125.19 1vsy h ASP 894 Ca -0.09 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1vsy h ASP 894 Cb 0.83 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 1vsy h ASP 894 CO 0.08 0.10 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.86 1vsy h GLU 895 N 0.00 0.00 0.00 3.56 5.08 -1.92 -3.02 114.58 118.28 1vsy h GLU 895 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 895 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1vsy h GLU 895 CO 0.01 0.10 -0.01 1.25 -1.00 0.00 0.00 179.01 179.36 1vsy h LEU 896 N 0.00 0.00 -0.99 1.33 5.85 -1.04 -3.12 115.31 117.34 1vsy h LEU 896 Ca -0.00 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 1vsy h LEU 896 Cb 0.84 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.68 1vsy h LEU 896 CO 0.01 0.21 -0.09 0.40 -0.34 0.00 0.00 178.44 178.63 1vsy h ILE 897 N -0.41 0.02 0.00 4.05 2.04 -1.62 0.54 117.51 122.13 1vsy h ILE 897 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1vsy h ILE 897 Cb 0.01 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1vsy h ILE 897 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 178.15 178.86 1vsy h THR 898 N 0.00 0.00 0.14 -0.27 1.35 -1.69 -1.26 112.91 111.18 1vsy h THR 898 Ca 0.55 -0.53 -0.31 0.00 -0.55 0.00 0.00 66.41 65.56 1vsy h THR 898 Cb 1.01 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1vsy h THR 898 CO -0.96 0.00 -1.53 0.15 -0.25 0.00 0.00 175.52 172.93 1vsy h PHE 899 N 0.00 0.55 -0.47 4.73 3.57 -0.02 -3.14 116.94 122.17 1vsy h PHE 899 Ca 0.00 -0.40 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1vsy h PHE 899 Cb 0.57 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1vsy h PHE 899 CO 0.00 1.43 0.23 0.52 -2.23 0.00 0.00 178.31 178.26 1vsy h MET 900 N 0.08 0.67 -0.02 1.11 2.86 -0.16 0.44 114.93 119.91 1vsy h MET 900 Ca -0.25 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1vsy h MET 900 Cb 2.04 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.57 1vsy h MET 900 CO 0.18 0.57 -0.05 0.87 1.06 0.00 0.00 176.91 179.54 1vsy h LYS 901 N 0.61 0.03 -0.16 1.72 1.57 -1.39 -2.09 116.57 116.87 1vsy h LYS 901 Ca 0.16 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 1vsy h LYS 901 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1vsy h LYS 901 CO -0.02 0.09 -0.66 -0.92 -0.57 0.00 0.00 179.45 177.37 1vsy h TYR 902 N 0.03 0.78 0.00 -1.35 3.20 -1.28 -1.62 116.97 116.74 1vsy h TYR 902 Ca 0.01 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1vsy h TYR 902 Cb 0.12 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1vsy h TYR 902 CO 0.00 1.08 0.00 1.25 -1.64 0.00 0.00 178.16 178.85 1vsy h LEU 903 N 0.43 0.00 0.00 2.82 5.85 -0.26 -2.03 115.31 122.12 1vsy h LEU 903 Ca -0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1vsy h LEU 903 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1vsy h LEU 903 CO 0.12 0.00 -1.85 -1.22 -0.34 0.00 0.00 178.44 175.15 1vsy n TYR 904 N -2.89 0.00 0.37 1.25 0.53 -1.01 -4.34 117.16 111.08 1vsy n TYR 904 Ca 0.01 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.74 1vsy n TYR 904 Cb 0.26 -0.55 -0.07 0.00 -1.03 0.00 0.00 39.34 37.95 1vsy n TYR 904 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1vsy h ASP 905 N 0.00 -0.83 -4.05 7.72 3.45 -1.20 -3.44 116.42 118.06 1vsy h ASP 905 Ca -0.21 0.03 -0.46 0.00 0.43 0.00 0.00 57.03 56.82 1vsy h ASP 905 Cb 1.35 0.21 0.12 0.00 -0.56 0.00 0.00 39.33 40.46 1vsy h ASP 905 CO 0.01 -0.47 0.36 0.20 -1.57 0.00 0.00 179.24 177.78 1vsy s ASN 906 N -4.31 3.97 -0.25 6.45 -0.87 -0.77 -4.86 114.94 114.29 1vsy s ASN 906 Ca -0.14 0.43 -0.01 0.00 -1.57 0.00 0.00 52.86 51.57 1vsy s ASN 906 Cb 0.01 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.49 1vsy s ASN 906 CO 0.43 -2.20 0.03 0.52 -2.57 0.00 0.00 177.10 173.31 1vsy n VAL 907 N -3.40-10.10 -5.06 1.60 0.31 -1.26 -4.63 118.33 95.78 1vsy n VAL 907 Ca 0.11 1.46 -0.30 0.00 -0.01 0.00 0.00 64.34 65.61 1vsy n VAL 907 Cb 0.60 -6.40 -0.17 0.00 -0.91 0.00 0.00 33.84 26.97 1vsy n VAL 907 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1vsy s THR 908 N -1.37 1.81 0.00 2.52 2.01 -1.26 -4.78 115.64 114.57 1vsy s THR 908 Ca 0.01 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1vsy s THR 908 Cb -0.00 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1vsy s THR 908 CO 0.63 0.50 0.00 -3.20 -0.69 0.00 0.00 174.62 171.87 1vsy n ASN 909 N 3.46 0.00 -0.40 3.53 2.85 -1.26 -4.88 115.26 118.56 1vsy n ASN 909 Ca -0.19 0.00 0.32 0.00 -0.11 0.00 0.00 54.58 54.60 1vsy n ASN 909 Cb 0.53 0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.15 1vsy n ASN 909 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1vsy h PRO 910 N 0.00 0.18 0.00 1.20 0.11 -1.89 0.58 132.00 132.18 1vsy h PRO 910 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1vsy h PRO 910 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1vsy h PRO 910 CO 0.00 0.12 -0.15 -1.35 -0.21 0.00 0.00 178.00 176.41 1vsy h PRO 911 N 0.18 0.00 0.00 1.05 0.11 -1.91 -3.19 132.00 128.24 1vsy h PRO 911 Ca 0.74 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.64 1vsy h PRO 911 Cb 2.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 33.28 1vsy h PRO 911 CO -0.38 0.15 -1.28 -0.07 -0.21 0.00 0.00 178.00 176.21 1vsy h LEU 912 N 0.00 0.00 -0.87 2.35 3.38 -0.26 -3.35 115.31 116.57 1vsy h LEU 912 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1vsy h LEU 912 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1vsy h LEU 912 CO 0.02 0.82 -0.33 0.44 0.09 0.00 0.00 178.44 179.48 1vsy h ASP 913 N 0.00 0.00 1.13 -0.43 3.45 -1.26 0.43 116.42 119.74 1vsy h ASP 913 Ca -0.14 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 1vsy h ASP 913 Cb 1.75 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.52 1vsy h ASP 913 CO 0.08 0.33 -0.03 0.58 -1.57 0.00 0.00 179.24 178.63 1vsy h VAL 914 N 0.00 0.07 0.00 -1.35 2.07 -1.68 -2.56 116.25 112.80 1vsy h VAL 914 Ca -0.00 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1vsy h VAL 914 Cb 0.91 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1vsy h VAL 914 CO 0.04 0.03 -0.48 0.40 0.02 0.00 0.00 177.57 177.59 1vsy h ILE 915 N 0.00 0.12 -0.53 4.57 2.04 -1.48 -3.39 117.51 118.84 1vsy h ILE 915 Ca -0.00 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 64.83 1vsy h ILE 915 Cb 0.60 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1vsy h ILE 915 CO 0.00 0.04 0.36 0.71 0.00 0.00 0.00 178.15 179.26 1vsy h THR 916 N -1.00 0.87 0.00 -0.27 1.35 -0.26 -0.81 112.91 112.79 1vsy h THR 916 Ca -0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1vsy h THR 916 Cb 0.50 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1vsy h THR 916 CO -0.02 0.05 0.00 -1.54 -0.25 0.00 0.00 175.52 173.76 1vsy n SER 917 N -4.46 0.00 0.13 5.36 3.41 -0.96 -2.39 113.62 114.72 1vsy n SER 917 Ca 0.08 0.45 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1vsy n SER 917 Cb 0.39 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1vsy n SER 917 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1vsy h ILE 918 N 0.00 0.26 -0.66 -1.33 2.04 -1.34 -3.31 117.51 113.17 1vsy h ILE 918 Ca 0.00 -1.42 0.14 0.00 1.00 0.00 0.00 64.86 64.58 1vsy h ILE 918 Cb 0.30 1.92 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 1vsy h ILE 918 CO 0.00 0.15 0.10 0.58 0.00 0.00 0.00 178.15 178.98 1vsy h VAL 919 N 0.00 0.54 -0.15 1.67 2.07 -1.57 -0.37 116.25 118.44 1vsy h VAL 919 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1vsy h VAL 919 Cb 1.18 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1vsy h VAL 919 CO 0.02 0.04 0.03 -0.29 0.02 0.00 0.00 177.57 177.39 1vsy h ILE 920 N 0.21 1.08 0.02 4.57 6.09 -1.76 -2.80 117.51 124.92 1vsy h ILE 920 Ca 0.36 -0.28 -0.00 0.00 -1.37 0.00 0.00 64.86 63.57 1vsy h ILE 920 Cb 0.58 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1vsy h ILE 920 CO -0.49 0.10 -0.01 -0.74 -3.07 0.00 0.00 178.15 173.94 1vsy h HIS 921 N 0.21 -0.02 0.00 2.19 2.76 -1.21 -2.61 115.15 116.47 1vsy h HIS 921 Ca 0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1vsy h HIS 921 Cb 0.09 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1vsy h HIS 921 CO 0.00 0.70 0.04 0.43 -1.30 0.00 0.00 177.93 177.80 1vsy n SER 922 N -4.69 0.00 -0.03 3.26 7.64 -0.35 -0.31 113.62 119.14 1vsy n SER 922 Ca -0.08 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.14 1vsy n SER 922 Cb 0.35 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1vsy n SER 922 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsy n ALA 923 N -1.33 2.04 0.08 -0.43 0.00 -1.07 -1.76 120.51 118.03 1vsy n ALA 923 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1vsy n ALA 923 Cb 0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1vsy n ALA 923 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vsy h LEU 924 N 0.00 0.25 -0.87 0.00 3.38 -0.72 -3.28 115.31 114.06 1vsy h LEU 924 Ca -0.17 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1vsy h LEU 924 Cb 1.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1vsy h LEU 924 CO 0.01 1.23 -0.55 0.00 0.09 0.00 0.00 178.44 179.21 1vsy h ALA 925 N 0.74 1.06 0.00 1.53 0.00 -0.80 -3.17 119.26 118.62 1vsy h ALA 925 Ca -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1vsy h ALA 925 Cb 1.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1vsy h ALA 925 CO 0.16 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.99 1vsy h THR 926 N 0.02 0.23 0.12 0.00 1.03 -1.69 -0.68 112.91 111.95 1vsy h THR 926 Ca -0.00 -1.10 -0.28 0.00 -0.01 0.00 0.00 66.41 65.02 1vsy h THR 926 Cb 0.99 1.91 -0.00 0.00 -1.07 0.00 0.00 68.15 69.98 1vsy h THR 926 CO 0.07 0.12 -1.41 -0.07 -0.01 0.00 0.00 175.52 174.22 1vsy h LEU 927 N 0.00 0.41 0.00 0.00 3.38 -1.61 -3.36 115.31 114.12 1vsy h LEU 927 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1vsy h LEU 927 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1vsy h LEU 927 CO 0.02 1.62 -0.47 0.00 0.09 0.00 0.00 178.44 179.70 1vsy s THR 929 N -1.92 3.83 -0.42 0.00 2.01 -0.26 -4.78 115.64 114.09 1vsy s THR 929 Ca 0.03 1.28 -0.21 0.00 0.31 0.00 0.00 61.69 63.10 1vsy s THR 929 Cb 0.07 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1vsy s THR 929 CO 0.39 0.07 0.67 -0.89 -0.69 0.00 0.00 174.62 174.17 1vsy s THR 930 N 1.50 4.80 0.28 -0.82 2.01 -1.26 -4.74 115.64 117.40 1vsy s THR 930 Ca 0.61 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1vsy s THR 930 Cb -0.31 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 1vsy s THR 930 CO 0.28 -0.57 0.29 -1.61 -0.69 0.00 0.00 174.62 172.32 1vsy s GLU 931 N 2.91 1.58 1.06 4.92 2.02 -1.09 -5.01 118.70 125.08 1vsy s GLU 931 Ca 0.25 -1.75 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 1vsy s GLU 931 Cb -0.14 0.35 0.22 0.00 0.10 0.00 0.00 34.13 34.66 1vsy s GLU 931 CO 0.19 -0.59 1.09 -1.50 0.02 0.00 0.00 175.26 174.48 1vsy s ILE 932 N -3.67 1.90 0.00 -1.63 1.10 -1.26 0.28 121.20 117.92 1vsy s ILE 932 Ca 0.36 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 1vsy s ILE 932 Cb 0.03 -2.48 0.00 0.00 0.15 0.00 0.00 42.46 40.16 1vsy s ILE 932 CO 0.19 0.00 0.00 0.41 -2.11 0.00 0.00 174.94 173.43 1vsy n THR 933 N -4.37 0.00 -4.78 4.00 -1.04 -1.26 -4.37 114.28 102.45 1vsy n THR 933 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.75 1vsy n THR 933 Cb 0.58 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.95 1vsy n THR 933 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vsy s ASP 934 N -0.80 4.08 0.00 8.00 2.15 -1.26 -4.24 116.67 124.60 1vsy s ASP 934 Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.71 1vsy s ASP 934 Cb 0.00 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 1vsy s ASP 934 CO 0.00 0.22 0.24 0.00 -0.17 0.00 0.00 175.17 175.46 1vsy n ARG 936 N 0.00 1.31 -0.23 0.00 1.74 -1.26 -4.87 116.66 113.35 1vsy n ARG 936 Ca 0.00 0.47 0.01 0.00 -0.77 0.00 0.00 57.85 57.56 1vsy n ARG 936 Cb 0.37 -1.95 0.13 0.00 -1.02 0.00 0.00 32.46 29.99 1vsy n ARG 936 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1vsy h LEU 937 N 1.62 0.37 -7.67 0.55 5.85 -0.90 -3.41 115.31 111.71 1vsy h LEU 937 Ca -0.43 0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.03 1vsy h LEU 937 Cb 1.34 0.02 -0.33 0.00 0.37 0.00 0.00 40.66 42.06 1vsy h LEU 937 CO 0.57 0.21 -0.75 -0.36 -0.34 0.00 0.00 178.44 177.77 1vsy s PHE 938 N -6.07 0.32 0.56 1.25 0.40 -1.26 -5.05 117.98 108.13 1vsy s PHE 938 Ca -0.13 -0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 1vsy s PHE 938 Cb 0.18 -0.36 -0.06 0.00 0.51 0.00 0.00 43.02 43.29 1vsy s PHE 938 CO 0.76 -0.10 1.02 -2.14 0.70 0.00 0.00 175.22 175.46 1vsy s PRO 939 N 0.74 3.62 0.00 0.24 0.02 -1.26 -4.24 135.00 134.11 1vsy s PRO 939 Ca -0.07 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.03 1vsy s PRO 939 Cb -0.11 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1vsy s PRO 939 CO -0.01 -0.56 0.00 -1.91 -0.33 0.00 0.00 177.00 174.19 1vsy n GLU 940 N -1.84 0.00 0.00 5.54 2.13 -1.26 -2.12 120.64 123.10 1vsy n GLU 940 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1vsy n GLU 940 Cb 0.53 -2.97 0.00 0.00 0.27 0.00 0.00 31.44 29.28 1vsy n GLU 940 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1vsy n ASP 941 N 0.00 0.00 -3.81 4.31 -0.08 -1.26 -4.92 116.55 110.79 1vsy n ASP 941 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1vsy n ASP 941 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 1vsy n ASP 941 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1vsy s SER 942 N 0.30 3.77 -0.46 1.67 1.04 -0.90 -4.88 113.70 114.24 1vsy s SER 942 Ca 0.00 -1.36 0.07 0.00 0.48 0.00 0.00 55.95 55.14 1vsy s SER 942 Cb 0.00 -0.95 0.26 0.00 0.10 0.00 0.00 66.02 65.43 1vsy s SER 942 CO 0.00 -0.34 0.83 0.29 0.98 0.00 0.00 173.24 175.00 1vsy n LYS 943 N 4.80 0.81 -1.69 4.02 4.76 -1.18 -4.93 118.16 124.75 1vsy n LYS 943 Ca -0.06 -2.19 -0.42 0.00 -2.87 0.00 0.00 58.31 52.77 1vsy n LYS 943 Cb 0.44 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1vsy n LYS 943 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1vsy s ILE 944 N 0.04 3.06 -2.32 -0.18 1.01 -1.26 -4.71 121.20 116.84 1vsy s ILE 944 Ca 0.32 0.07 0.22 0.00 0.00 0.00 0.00 60.65 61.26 1vsy s ILE 944 Cb 0.23 -3.05 0.48 0.00 0.01 0.00 0.00 42.46 40.14 1vsy s ILE 944 CO -0.18 -0.01 1.45 -2.65 0.00 0.00 0.00 174.94 173.55 1vsy n PRO 945 N 7.64 2.46 0.00 2.79 -0.02 -1.26 -5.09 135.00 141.51 1vsy n PRO 945 Ca 0.21 -2.22 0.00 0.00 -2.02 0.00 0.00 63.50 59.47 1vsy n PRO 945 Cb 0.42 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1vsy n PRO 945 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vsy n GLU 946 N 1.38 0.00 -1.66 -0.52 1.02 -1.26 -4.68 120.64 114.92 1vsy n GLU 946 Ca 0.20 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.14 1vsy n GLU 946 Cb 0.57 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.06 1vsy n GLU 946 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vsy n LYS 947 N 0.00 3.11 -1.81 3.49 5.02 -1.26 -4.32 118.16 122.38 1vsy n LYS 947 Ca 0.00 -3.87 -0.34 0.00 -2.02 0.00 0.00 58.31 52.07 1vsy n LYS 947 Cb 0.00 -2.16 0.05 0.00 -0.02 0.00 0.00 35.03 32.89 1vsy n LYS 947 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1vsy n ASP 948 N -0.82 6.82 -1.89 4.39 5.75 -1.26 -4.85 116.55 124.68 1vsy n ASP 948 Ca 0.43 -3.79 -0.22 0.00 -0.01 0.00 0.00 54.79 51.19 1vsy n ASP 948 Cb 0.91 -0.85 0.11 0.00 -1.03 0.00 0.00 41.12 40.26 1vsy n ASP 948 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1vsy n ARG 949 N -0.69 2.66 0.00 0.11 1.85 -1.26 -4.91 116.66 114.42 1vsy n ARG 949 Ca 0.53 -3.49 0.00 0.00 -1.00 0.00 0.00 57.85 53.90 1vsy n ARG 949 Cb 0.55 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 1vsy n ARG 949 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1vsy n TRP 950 N -0.95 0.00 -0.98 2.89 7.02 -1.26 -4.63 117.44 119.53 1vsy n TRP 950 Ca 0.49 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.53 1vsy n TRP 950 Cb 0.97 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.76 1vsy n TRP 950 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vsy n GLY 951 N 2.73 -0.15 1.19 6.99 0.00 -1.25 -4.11 105.19 110.60 1vsy n GLY 951 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1vsy n GLY 951 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsy n GLY 952 N 5.63 0.00 2.20 -0.02 0.00 -1.23 -3.37 105.19 108.41 1vsy n GLY 952 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1vsy n GLY 952 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vsy n LEU 953 N 0.42 0.06 0.03 0.99 4.77 -1.26 -4.92 117.00 117.08 1vsy n LEU 953 Ca 0.00 0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1vsy n LEU 953 Cb 0.00 -0.98 0.11 0.00 -2.33 0.00 0.00 43.42 40.22 1vsy n LEU 953 CO 0.00 -0.23 0.57 0.00 -1.33 0.00 0.00 177.39 176.39 1vsy n GLN 954 N -2.31 0.02 0.00 3.23 10.64 -1.22 -2.12 117.38 125.63 1vsy n GLN 954 Ca -0.01 0.50 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1vsy n GLN 954 Cb 0.13 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1vsy n GLN 954 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1vsy n PHE 955 N -1.62 0.00 -2.26 2.61 3.01 -1.26 -5.06 117.46 112.88 1vsy n PHE 955 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1vsy n PHE 955 Cb 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1vsy n PHE 955 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1vsy s ASP 956 N -1.00 6.73 0.00 4.37 -1.08 -0.90 -4.93 116.67 119.85 1vsy s ASP 956 Ca 0.00 2.45 0.25 0.00 -0.52 0.00 0.00 52.55 54.74 1vsy s ASP 956 Cb 0.00 -2.63 1.24 0.00 -1.46 0.00 0.00 42.92 40.07 1vsy s ASP 956 CO 0.00 -0.54 1.85 -2.65 0.52 0.00 0.00 175.17 174.35 1vsy n PRO 957 N 0.51 0.28 0.00 4.34 -0.02 -1.26 -2.42 135.00 136.42 1vsy n PRO 957 Ca 0.02 0.05 0.14 0.00 -2.02 0.00 0.00 63.50 61.69 1vsy n PRO 957 Cb 0.45 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.97 1vsy n PRO 957 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vsy n ARG 958 N -1.33 0.68 0.12 -0.52 1.85 -1.26 -3.91 116.66 112.29 1vsy n ARG 958 Ca 0.11 -0.28 0.19 0.00 -1.00 0.00 0.00 57.85 56.86 1vsy n ARG 958 Cb 0.22 -1.49 0.64 0.00 -1.05 0.00 0.00 32.46 30.78 1vsy n ARG 958 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1vsy h ARG 959 N 0.68 0.00 -0.13 2.89 0.11 -1.67 -2.68 114.38 113.59 1vsy h ARG 959 Ca 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 1vsy h ARG 959 Cb 0.40 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.16 1vsy h ARG 959 CO 0.00 0.00 -0.94 1.97 0.10 0.00 0.00 179.97 181.10 1vsy n PHE 960 N -3.30 0.42 -2.93 4.08 1.16 -1.25 -4.79 117.46 110.85 1vsy n PHE 960 Ca 0.07 -1.12 -0.33 0.00 -1.87 0.00 0.00 57.45 54.20 1vsy n PHE 960 Cb 0.75 -0.20 -0.07 0.00 -1.61 0.00 0.00 39.48 38.36 1vsy n PHE 960 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1vsy s ASP 961 N -2.69 6.89 0.46 5.98 1.47 -1.01 -4.96 116.67 122.81 1vsy s ASP 961 Ca 0.35 1.55 0.31 0.00 1.18 0.00 0.00 52.55 55.94 1vsy s ASP 961 Cb 0.37 -2.48 1.53 0.00 -0.34 0.00 0.00 42.92 42.00 1vsy s ASP 961 CO -0.11 -0.29 1.94 0.11 0.68 0.00 0.00 175.17 177.50 1vsy h LYS 962 N 2.08 0.00 0.00 2.11 1.57 -1.91 -2.50 116.57 117.92 1vsy h LYS 962 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1vsy h LYS 962 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1vsy h LYS 962 CO 0.63 0.00 -0.02 0.37 -0.57 0.00 0.00 179.45 179.85 1vsy h GLN 963 N 0.00 0.00 0.00 3.15 4.15 -1.95 -3.27 115.11 117.18 1vsy h GLN 963 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1vsy h GLN 963 Cb 0.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1vsy h GLN 963 CO 0.00 0.00 -0.02 1.25 -1.93 0.00 0.00 178.83 178.13 1vsy h HIS 964 N 0.00 0.00 0.00 3.99 2.76 -1.78 -3.37 115.15 116.75 1vsy h HIS 964 Ca 0.00 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.67 1vsy h HIS 964 Cb 0.98 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.96 1vsy h HIS 964 CO 0.00 0.47 3.00 1.28 -1.30 0.00 0.00 177.93 181.38 1vsy n LEU 965 N -4.70 6.16 -3.34 0.26 4.77 -1.22 -4.75 117.00 114.18 1vsy n LEU 965 Ca -0.05 -3.40 -0.39 0.00 -0.03 0.00 0.00 56.01 52.14 1vsy n LEU 965 Cb 0.23 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1vsy n LEU 965 CO 0.16 1.03 1.84 -1.54 -1.33 0.00 0.00 177.39 177.55 1vsy n SER 966 N 4.30 7.54 -4.57 -1.43 3.41 -1.25 -4.93 113.62 116.68 1vsy n SER 966 Ca 0.56 -3.43 -0.37 0.00 -0.26 0.00 0.00 58.87 55.37 1vsy n SER 966 Cb 0.19 -1.24 0.07 0.00 -0.26 0.00 0.00 64.21 62.97 1vsy n SER 966 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vsy n PHE 967 N 0.69 0.33 -0.03 7.33 0.99 -1.26 -4.98 117.46 120.53 1vsy n PHE 967 Ca 0.54 0.40 -0.01 0.00 -0.00 0.00 0.00 57.45 58.39 1vsy n PHE 967 Cb 0.29 -2.06 -0.00 0.00 -1.00 0.00 0.00 39.48 36.71 1vsy n PHE 967 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1vsy h GLN 968 N 0.01 0.00 -1.88 -1.08 5.75 -1.94 -3.50 115.11 112.47 1vsy h GLN 968 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1vsy h GLN 968 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1vsy h GLN 968 CO 0.47 0.00 -0.40 0.91 -2.65 0.00 0.00 178.83 177.16 1vsy n TRP 969 N -3.44 -2.04 -3.15 3.99 7.02 -1.26 -4.93 117.44 113.63 1vsy n TRP 969 Ca -0.01 1.10 -0.41 0.00 -1.02 0.00 0.00 57.50 57.16 1vsy n TRP 969 Cb 0.04 -2.49 -0.07 0.00 -2.42 0.00 0.00 31.31 26.38 1vsy n TRP 969 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1vsy s HIS 970 N -1.14 3.22 -0.16 -5.99 5.65 0.14 -4.87 115.29 112.15 1vsy s HIS 970 Ca 0.00 0.56 -0.03 0.00 0.25 0.00 0.00 55.06 55.84 1vsy s HIS 970 Cb 0.00 -2.93 -0.02 0.00 -1.18 0.00 0.00 32.58 28.45 1vsy s HIS 970 CO 0.00 -0.44 -0.05 0.08 -0.65 0.00 0.00 174.74 173.68 1vsy s VAL 971 N 2.53 3.71 -0.02 0.89 1.01 -1.26 -2.67 120.40 124.59 1vsy s VAL 971 Ca 0.24 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1vsy s VAL 971 Cb -0.15 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1vsy s VAL 971 CO 0.11 0.49 1.71 -2.84 0.00 0.00 0.00 175.10 174.58 1vsy s PRO 972 N 0.44 4.18 0.61 2.72 0.02 -1.26 -4.99 135.00 136.72 1vsy s PRO 972 Ca -0.05 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.18 1vsy s PRO 972 Cb -0.15 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.42 1vsy s PRO 972 CO 0.03 -0.85 0.95 -1.54 -0.33 0.00 0.00 177.00 175.27 1vsy s SER 973 N 3.39 5.67 0.61 2.53 1.04 -1.26 -4.90 113.70 120.78 1vsy s SER 973 Ca 0.76 0.91 0.31 0.00 0.48 0.00 0.00 55.95 58.41 1vsy s SER 973 Cb -0.36 -1.88 1.75 0.00 0.10 0.00 0.00 66.02 65.62 1vsy s SER 973 CO 0.32 -1.08 2.11 0.77 0.98 0.00 0.00 173.24 176.34 1vsy h SER 974 N -0.28 0.00 -0.01 7.02 4.64 -1.99 -1.77 113.55 121.15 1vsy h SER 974 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 1vsy h SER 974 Cb 1.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1vsy h SER 974 CO 0.62 0.00 -0.39 0.44 -0.87 0.00 0.00 176.83 176.62 1vsy h ASP 975 N 0.00 0.36 -0.17 4.97 3.32 -1.99 -3.00 116.42 119.90 1vsy h ASP 975 Ca 0.07 -0.76 -0.03 0.00 0.02 0.00 0.00 57.03 56.33 1vsy h ASP 975 Cb 0.46 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1vsy h ASP 975 CO -0.00 1.07 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.24 1vsy h GLU 976 N -0.32 0.31 -0.40 3.56 5.08 -1.72 -2.31 114.58 118.77 1vsy h GLU 976 Ca -0.05 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1vsy h GLU 976 Cb 1.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1vsy h GLU 976 CO 0.08 0.55 0.28 0.82 -1.00 0.00 0.00 179.01 179.74 1vsy h ILE 977 N 0.04 0.85 0.04 3.13 5.03 -1.48 0.39 117.51 125.52 1vsy h ILE 977 Ca 0.05 -0.04 -0.28 0.00 -0.12 0.00 0.00 64.86 64.47 1vsy h ILE 977 Cb 0.41 0.73 0.02 0.00 -3.03 0.00 0.00 36.82 34.96 1vsy h ILE 977 CO 0.01 0.02 -1.11 0.74 -0.68 0.00 0.00 178.15 177.13 1vsy h THR 978 N 0.12 1.28 -0.33 -0.27 2.02 -1.35 -1.25 112.91 113.13 1vsy h THR 978 Ca 0.19 -2.33 -0.16 0.00 0.77 0.00 0.00 66.41 64.88 1vsy h THR 978 Cb 0.60 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1vsy h THR 978 CO -0.02 0.72 -0.41 0.25 0.37 0.00 0.00 175.52 176.42 1vsy h LEU 979 N 0.35 0.94 -0.76 2.58 5.85 -1.00 -1.82 115.31 121.46 1vsy h LEU 979 Ca -0.15 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.20 1vsy h LEU 979 Cb 1.77 -0.27 -0.13 0.00 0.37 0.00 0.00 40.66 42.40 1vsy h LEU 979 CO 0.22 1.24 -0.36 -1.28 -0.34 0.00 0.00 178.44 177.91 1vsy h SER 980 N 0.66 -1.30 -0.07 1.25 0.87 -0.19 -1.36 113.55 113.41 1vsy h SER 980 Ca 0.04 0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.68 1vsy h SER 980 Cb 1.01 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1vsy h SER 980 CO 0.10 -0.30 -0.65 0.40 -0.53 0.00 0.00 176.83 175.85 1vsy h ILE 981 N -0.10 1.30 -0.56 2.23 2.04 -1.16 -2.28 117.51 118.98 1vsy h ILE 981 Ca 0.28 -1.89 0.11 0.00 1.00 0.00 0.00 64.86 64.36 1vsy h ILE 981 Cb 0.57 1.85 -0.10 0.00 -0.74 0.00 0.00 36.82 38.39 1vsy h ILE 981 CO -0.81 0.59 -0.07 -1.28 0.00 0.00 0.00 178.15 176.59 1vsy h SER 982 N 0.51 -0.38 0.87 1.72 0.87 -0.70 -2.48 113.55 113.95 1vsy h SER 982 Ca -0.01 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1vsy h SER 982 Cb 1.24 0.30 0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1vsy h SER 982 CO 0.13 -0.14 -0.42 0.40 -0.53 0.00 0.00 176.83 176.27 1vsy h ILE 983 N 0.06 0.00 -0.74 2.23 2.04 -1.20 -2.10 117.51 117.80 1vsy h ILE 983 Ca 0.28 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 66.23 1vsy h ILE 983 Cb 0.44 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.38 1vsy h ILE 983 CO -0.53 0.00 -0.12 -0.11 0.00 0.00 0.00 178.15 177.39 1vsy n LEU 984 N -5.35 -0.21 0.09 1.44 7.94 -0.87 -0.14 117.00 119.90 1vsy n LEU 984 Ca -0.14 1.26 -0.03 0.00 -1.11 0.00 0.00 56.01 55.99 1vsy n LEU 984 Cb 0.46 -0.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 1vsy n LEU 984 CO 0.35 -1.23 0.23 -0.08 -1.11 0.00 0.00 177.39 175.55 1vsy h GLU 985 N 0.00 0.00 0.10 1.96 4.81 -1.42 -1.31 114.58 118.72 1vsy h GLU 985 Ca 0.38 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.34 1vsy h GLU 985 Cb 0.65 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.05 1vsy h GLU 985 CO -0.74 0.77 -1.18 1.03 -0.73 0.00 0.00 179.01 178.16 1vsy h SER 986 N 0.00 0.60 0.46 1.04 0.87 0.19 -1.54 113.55 115.16 1vsy h SER 986 Ca -0.02 -0.57 -0.31 0.00 -1.23 0.00 0.00 61.79 59.66 1vsy h SER 986 Cb 1.62 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1vsy h SER 986 CO 0.10 1.41 -1.41 -0.07 -0.53 0.00 0.00 176.83 176.33 1vsy h LEU 987 N 0.17 0.55 -0.69 2.23 -0.00 -0.79 -2.67 115.31 114.11 1vsy h LEU 987 Ca -0.14 -0.64 0.05 0.00 -0.00 0.00 0.00 57.88 57.16 1vsy h LEU 987 Cb 1.87 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 42.29 1vsy h LEU 987 CO 0.21 1.51 0.40 -1.28 -0.00 0.00 0.00 178.44 179.27 1vsy h SER 988 N 0.10 0.61 0.01 -0.43 0.87 -1.30 -1.15 113.55 112.25 1vsy h SER 988 Ca -0.21 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1vsy h SER 988 Cb 2.05 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1vsy h SER 988 CO 0.21 0.40 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.58 1vsy h GLU 989 N 0.74 -0.01 -0.74 2.24 4.39 -1.39 -2.77 114.58 117.04 1vsy h GLU 989 Ca 0.30 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.16 1vsy h GLU 989 Cb 0.16 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.68 1vsy h GLU 989 CO -0.17 0.36 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.03 1vsy h TYR 990 N -0.38 -0.23 -0.09 4.33 3.20 -1.10 0.31 116.97 123.00 1vsy h TYR 990 Ca -0.00 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1vsy h TYR 990 Cb 0.38 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1vsy h TYR 990 CO 0.05 -0.28 -0.01 0.00 -1.64 0.00 0.00 178.16 176.28 1vsy h ILE 992 N -0.13 1.21 0.43 0.00 2.04 -0.99 -1.75 117.51 118.32 1vsy h ILE 992 Ca 0.03 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1vsy h ILE 992 Cb 0.39 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1vsy h ILE 992 CO 0.01 0.29 -0.20 0.78 0.00 0.00 0.00 178.15 179.02 1vsy h ASN 993 N 0.03 -0.48 -0.39 1.72 2.35 -1.00 -0.40 115.58 117.41 1vsy h ASN 993 Ca 0.00 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1vsy h ASN 993 Cb 0.51 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1vsy h ASN 993 CO 0.04 -0.14 0.49 0.78 -1.65 0.00 0.00 177.43 176.95 1vsy h ASN 994 N -0.99 0.00 0.20 5.81 2.35 -1.40 0.95 115.58 122.50 1vsy h ASN 994 Ca -0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.34 1vsy h ASN 994 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1vsy h ASN 994 CO 0.10 0.00 -1.88 0.58 -1.65 0.00 0.00 177.43 174.58 1vsy h VAL 995 N 0.00 0.76 0.00 2.81 2.07 -1.36 -3.11 116.25 117.41 1vsy h VAL 995 Ca 0.18 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1vsy h VAL 995 Cb 1.17 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1vsy h VAL 995 CO -0.00 0.85 0.00 1.21 0.02 0.00 0.00 177.57 179.65 1vsy n GLU 996 N -3.48 0.20 -0.03 1.57 4.07 -0.16 -2.81 120.64 120.01 1vsy n GLU 996 Ca -0.28 0.46 -0.11 0.00 -0.06 0.00 0.00 57.16 57.17 1vsy n GLU 996 Cb 1.06 -1.90 -0.09 0.00 -0.06 0.00 0.00 31.44 30.44 1vsy n GLU 996 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1vsy h GLU 997 N 0.00 -0.06 0.00 5.31 4.57 -0.94 -3.27 114.58 120.19 1vsy h GLU 997 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vsy h GLU 997 Cb 0.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1vsy h GLU 997 CO 0.00 0.56 0.00 1.28 -1.18 0.00 0.00 179.01 179.67 1vsy n LEU 998 N -4.75 0.00 -1.94 1.64 4.77 -1.12 -2.50 117.00 113.10 1vsy n LEU 998 Ca -0.08 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 1vsy n LEU 998 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1vsy n LEU 998 CO 0.26 0.00 1.26 0.23 -1.33 0.00 0.00 177.39 177.81 1vsy n MET 999 N -0.87 1.81 -3.82 3.23 2.81 -1.15 -4.03 117.12 115.10 1vsy n MET 999 Ca 0.05 -1.48 -0.29 0.00 -1.81 0.00 0.00 57.70 54.17 1vsy n MET 999 Cb 0.02 -1.64 -0.13 0.00 -0.71 0.00 0.00 33.22 30.77 1vsy n MET 999 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1vsy s LYS 1000N -1.51 1.83 -0.23 0.03 -0.14 -1.04 -5.10 119.74 113.58 1vsy s LYS 1000Ca 0.33 -2.62 -0.29 0.00 -1.36 0.00 0.00 55.97 52.03 1vsy s LYS 1000Cb 0.24 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1vsy s LYS 1000CO -0.03 -1.20 1.64 0.00 -0.76 0.00 0.00 175.35 175.00 1vsy s ALA 1001N -0.43 3.22 -0.59 5.17 0.00 -1.26 -5.01 121.76 122.88 1vsy s ALA 1001Ca 0.21 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 1vsy s ALA 1001Cb -0.16 -3.87 0.06 0.00 0.00 0.00 0.00 23.12 19.15 1vsy s ALA 1001CO -0.07 -2.04 0.85 -2.14 0.00 0.00 0.00 175.76 172.37 1vsy s PRO 1002N 4.80 3.17 0.36 0.00 0.02 -1.26 -4.95 135.00 137.14 1vsy s PRO 1002Ca 0.73 -0.75 0.14 0.00 0.02 0.00 0.00 61.00 61.13 1vsy s PRO 1002Cb -0.25 -4.16 0.67 0.00 0.02 0.00 0.00 34.50 30.79 1vsy s PRO 1002CO 0.30 -1.56 1.78 -0.09 -0.33 0.00 0.00 177.00 177.10 1vsy h ARG 1003N 9.32 0.00 0.00 5.54 2.43 -2.00 -3.36 114.38 126.31 1vsy h ARG 1003Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1vsy h ARG 1003Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1vsy h ARG 1003CO 1.10 0.42 0.00 -2.39 -1.51 0.00 0.00 179.97 177.58 1vsy n HIS 1004N -3.95 0.00 0.00 2.20 1.44 -1.26 -4.56 115.22 109.09 1vsy n HIS 1004Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1vsy n HIS 1004Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1vsy n HIS 1004CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1vsy n ASP 1005N 0.00 0.00 0.00 4.39 9.92 -1.26 -4.59 116.55 125.01 1vsy n ASP 1005Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1vsy n ASP 1005Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1vsy n ASP 1005CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vsy n SER 1006N 0.00 0.00 -0.76 -2.24 3.41 -1.26 -4.47 113.62 108.30 1vsy n SER 1006Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vsy n SER 1006Cb 0.00 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1vsy n SER 1006CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1vsy n GLU 1007N -0.44 1.22 0.00 4.33 2.13 -1.26 -2.70 120.64 123.91 1vsy n GLU 1007Ca 0.00 -0.22 -0.04 0.00 0.66 0.00 0.00 57.16 57.56 1vsy n GLU 1007Cb 0.00 -1.40 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 1vsy n GLU 1007CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1vsy n TYR 1008N 0.15 0.00 0.25 4.31 9.36 -1.26 -4.23 117.16 125.74 1vsy n TYR 1008Ca 0.03 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.39 1vsy n TYR 1008Cb 0.40 -0.14 0.74 0.00 -0.63 0.00 0.00 39.34 39.72 1vsy n TYR 1008CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1vsy h GLY 1009N -0.18 0.00 1.40 2.98 0.00 -1.89 0.14 103.07 105.51 1vsy h GLY 1009Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.02 1vsy h GLY 1009CO -0.04 0.00 -1.03 -0.55 0.00 0.00 0.00 176.54 174.92 1vsy h ASP 1010N 0.00 0.70 0.61 0.19 3.32 -1.75 -3.01 116.42 116.48 1vsy h ASP 1010Ca 0.00 -0.58 -0.28 0.00 0.02 0.00 0.00 57.03 56.19 1vsy h ASP 1010Cb 0.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1vsy h ASP 1010CO 0.00 1.38 -1.31 0.24 -1.72 0.00 0.00 179.24 177.83 1vsy h MET 1011N 0.28 0.24 -0.41 3.56 2.86 -0.98 -2.12 114.93 118.36 1vsy h MET 1011Ca -0.11 -0.40 -0.15 0.00 -2.06 0.00 0.00 59.70 56.97 1vsy h MET 1011Cb 1.68 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 1vsy h MET 1011CO 0.19 1.15 -0.33 0.82 1.06 0.00 0.00 176.91 179.80 1vsy h ILE 1012N 0.06 1.27 -0.79 -1.22 2.04 -1.20 -1.68 117.51 115.99 1vsy h ILE 1012Ca -0.16 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 1vsy h ILE 1012Cb 1.97 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 1vsy h ILE 1012CO 0.18 0.51 0.40 1.56 0.00 0.00 0.00 178.15 180.80 1vsy h GLN 1013N 0.78 1.12 0.37 2.37 4.20 -1.57 -1.32 115.11 121.06 1vsy h GLN 1013Ca 0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1vsy h GLN 1013Cb 0.92 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1vsy h GLN 1013CO 0.09 0.84 -0.23 -0.22 -0.67 0.00 0.00 178.83 178.63 1vsy h LYS 1014N 1.11 -0.56 -0.04 1.46 3.64 -1.07 -0.87 116.57 120.25 1vsy h LYS 1014Ca 0.28 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1vsy h LYS 1014Cb 0.07 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1vsy h LYS 1014CO -0.04 -0.37 -0.29 1.88 -2.27 0.00 0.00 179.45 178.36 1vsy h TYR 1015N -0.58 0.08 0.00 1.91 0.99 -1.17 -0.71 116.97 117.49 1vsy h TYR 1015Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1vsy h TYR 1015Cb 0.48 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1vsy h TYR 1015CO -0.10 0.36 0.00 0.28 -0.00 0.00 0.00 178.16 178.71 1vsy h VAL 1016N 0.07 0.00 0.16 -2.88 2.07 -1.06 0.34 116.25 114.95 1vsy h VAL 1016Ca 0.01 -0.70 -0.31 0.00 0.82 0.00 0.00 66.70 66.52 1vsy h VAL 1016Cb 0.56 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1vsy h VAL 1016CO 0.04 0.00 -1.53 -0.07 0.02 0.00 0.00 177.57 176.03 1vsy h LEU 1017N 0.00 0.53 -0.74 2.57 3.38 -0.42 -2.39 115.31 118.23 1vsy h LEU 1017Ca 0.00 -0.91 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 1vsy h LEU 1017Cb 0.78 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1vsy h LEU 1017CO 0.00 1.69 0.24 0.58 0.09 0.00 0.00 178.44 181.04 1vsy h VAL 1018N -0.09 1.26 -0.33 1.22 2.07 -1.12 0.16 116.25 119.43 1vsy h VAL 1018Ca -0.31 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1vsy h VAL 1018Cb 1.94 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1vsy h VAL 1018CO 0.14 0.36 0.18 -0.03 0.02 0.00 0.00 177.57 178.23 1vsy h MET 1019N 1.10 0.47 0.58 1.57 1.85 -1.04 -1.25 114.93 118.21 1vsy h MET 1019Ca 0.24 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.25 1vsy h MET 1019Cb 0.30 -0.09 0.01 0.00 0.43 0.00 0.00 31.60 32.24 1vsy h MET 1019CO -0.01 0.40 -0.28 1.15 -0.40 0.00 0.00 176.91 177.77 1vsy h THR 1020N 0.41 0.42 0.00 -0.77 2.02 -0.98 -1.83 112.91 112.19 1vsy h THR 1020Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1vsy h THR 1020Cb 0.07 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1vsy h THR 1020CO -0.02 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.28 1vsy n HIS 1021N -5.43 0.67 0.05 3.16 8.25 0.01 -0.54 115.22 121.39 1vsy n HIS 1021Ca -0.13 0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.52 1vsy n HIS 1021Cb 0.32 -0.94 0.06 0.00 1.12 0.00 0.00 29.99 30.56 1vsy n HIS 1021CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1vsy h THR 1022N 0.00 1.37 -0.16 1.59 2.02 -0.76 -3.26 112.91 113.71 1vsy h THR 1022Ca 0.00 -2.03 -0.17 0.00 0.77 0.00 0.00 66.41 64.98 1vsy h THR 1022Cb 0.31 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1vsy h THR 1022CO 0.00 0.61 -0.62 -0.07 0.37 0.00 0.00 175.52 175.81 1vsy h LEU 1023N 0.28 0.63-10.50 2.58 3.38 0.01 -3.38 115.31 108.31 1vsy h LEU 1023Ca -0.02 -0.36 -0.47 0.00 0.09 0.00 0.00 57.88 57.12 1vsy h LEU 1023Cb 1.21 -0.18 0.07 0.00 0.09 0.00 0.00 40.66 41.84 1vsy h LEU 1023CO 0.11 1.10 0.23 -0.94 0.09 0.00 0.00 178.44 179.03 1vsy s SER 1024N -6.96 5.22 0.00 -0.43 1.04 -0.83 -3.01 113.70 108.73 1vsy s SER 1024Ca -0.07 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1vsy s SER 1024Cb 0.11 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1vsy s SER 1024CO 0.85 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1vsy n GLY 1025N -2.79 0.46 0.21 7.32 0.00 -1.26 -4.06 105.19 105.06 1vsy n GLY 1025Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1vsy n GLY 1025CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vsy n SER 1026N 1.15 0.07 0.06 1.61 2.88 -1.26 -3.51 113.62 114.63 1vsy n SER 1026Ca 0.00 -0.34 0.13 0.00 -1.33 0.00 0.00 58.87 57.33 1vsy n SER 1026Cb 0.00 -0.04 0.34 0.00 -0.75 0.00 0.00 64.21 63.77 1vsy n SER 1026CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vsy n SER 1027N -0.11 0.62 0.00 -3.46 3.41 -1.17 -3.71 113.62 109.20 1vsy n SER 1027Ca 0.00 0.33 0.14 0.00 -0.26 0.00 0.00 58.87 59.08 1vsy n SER 1027Cb 0.02 -0.32 0.67 0.00 -0.26 0.00 0.00 64.21 64.31 1vsy n SER 1027CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vsy n LEU 1028N -2.01 0.00 -0.41 1.04 4.77 -1.23 -3.28 117.00 115.87 1vsy n LEU 1028Ca 0.05 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1vsy n LEU 1028Cb 0.41 -0.41 0.38 0.00 -2.33 0.00 0.00 43.42 41.48 1vsy n LEU 1028CO 0.32 -0.01 0.71 0.18 -1.33 0.00 0.00 177.39 177.26 1vsy n LEU 1029N -1.41 1.44 -4.91 2.23 4.77 -1.24 -4.92 117.00 112.96 1vsy n LEU 1029Ca 0.10 -0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 55.33 1vsy n LEU 1029Cb 0.29 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1vsy n LEU 1029CO 0.25 0.25 0.01 -0.36 -1.33 0.00 0.00 177.39 176.21 1vsy s PHE 1030N -2.26 3.48 -0.19 -1.77 0.40 -1.21 -5.09 117.98 111.34 1vsy s PHE 1030Ca 0.30 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1vsy s PHE 1030Cb 0.20 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1vsy s PHE 1030CO 0.43 0.42 -0.17 0.34 0.70 0.00 0.00 175.22 176.95 1vsy s ASP 1031N -2.74 3.35 0.31 1.36 2.15 -1.26 -5.01 116.67 114.83 1vsy s ASP 1031Ca 0.39 -0.62 0.07 0.00 0.43 0.00 0.00 52.55 52.82 1vsy s ASP 1031Cb -0.12 -1.53 0.79 0.00 -0.30 0.00 0.00 42.92 41.77 1vsy s ASP 1031CO 0.27 -0.01 1.75 -0.65 -0.17 0.00 0.00 175.17 176.36 1vsy h PRO 1032N 7.97 0.63 0.00 4.34 0.11 -1.99 -2.94 132.00 140.11 1vsy h PRO 1032Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vsy h PRO 1032Cb 1.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1vsy h PRO 1032CO 0.63 0.42 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.35 1vsy h ASP 1033N 0.65 0.00 -0.92 -2.05 3.32 -2.04 -3.39 116.42 111.98 1vsy h ASP 1033Ca 0.60 -0.01 0.34 0.00 0.02 0.00 0.00 57.03 57.98 1vsy h ASP 1033Cb 1.04 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.48 1vsy h ASP 1033CO -0.43 0.01 0.57 0.33 -1.72 0.00 0.00 179.24 177.99 1vsy n PHE 1034N -2.49 0.62 0.22 4.55 7.35 -1.11 -0.38 117.46 126.22 1vsy n PHE 1034Ca 0.05 0.63 0.11 0.00 -0.76 0.00 0.00 57.45 57.47 1vsy n PHE 1034Cb 0.46 -1.04 0.38 0.00 0.35 0.00 0.00 39.48 39.63 1vsy n PHE 1034CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1vsy h ASN 1035N 0.00 0.00 -0.23 -2.13 2.35 -1.86 -2.64 115.58 111.08 1vsy h ASN 1035Ca 0.64 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.37 1vsy h ASN 1035Cb 1.94 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.30 1vsy h ASN 1035CO -0.41 0.18 0.08 0.50 -1.65 0.00 0.00 177.43 176.13 1vsy h LYS 1036N 0.00 0.35 -0.00 0.81 3.64 -1.05 -3.56 116.57 116.75 1vsy h LYS 1036Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1vsy h LYS 1036Cb 0.86 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1vsy h LYS 1036CO 0.02 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.28