#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwt h GLU 258 N 0.00 0.00 0.11 -2.82 3.07 -2.00 -2.26 114.58 110.68 3hwt h GLU 258 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 3hwt h GLU 258 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hwt h GLU 258 CO 0.00 0.23 -1.69 1.57 -1.40 0.00 0.00 179.01 177.72 3hwt h LYS 259 N 0.00 0.24 0.00 2.33 5.09 -2.03 -3.33 116.57 118.87 3hwt h LYS 259 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 60.65 60.33 3hwt h LYS 259 Cb 0.49 0.15 0.00 0.00 0.10 0.00 0.00 32.23 32.97 3hwt h LYS 259 CO 0.03 1.08 0.00 -0.07 -2.09 0.00 0.00 179.45 178.40 3hwt h LEU 260 N 0.07 0.00 -0.37 7.07 3.38 -1.96 -3.01 115.31 120.49 3hwt h LEU 260 Ca -0.30 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.48 3hwt h LEU 260 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 3hwt h LEU 260 CO 0.14 0.00 -0.72 -0.33 0.09 0.00 0.00 178.44 177.62 3hwt h GLU 261 N 0.00 0.51 -0.86 1.13 5.08 -1.51 -2.41 114.58 116.51 3hwt h GLU 261 Ca 0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3hwt h GLU 261 Cb 0.48 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3hwt h GLU 261 CO 0.00 1.03 0.52 0.28 -1.00 0.00 0.00 179.01 179.84 3hwt h VAL 262 N 0.35 1.24 -0.41 3.13 2.07 -1.67 -1.36 116.25 119.60 3hwt h VAL 262 Ca -0.03 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 3hwt h VAL 262 Cb 1.30 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hwt h VAL 262 CO 0.13 0.25 -0.27 -0.07 0.02 0.00 0.00 177.57 177.62 3hwt h LEU 263 N 1.18 0.95 -0.74 2.57 3.38 -1.64 -1.97 115.31 119.04 3hwt h LEU 263 Ca 0.31 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hwt h LEU 263 Cb -0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3hwt h LEU 263 CO -0.06 1.18 0.47 0.00 0.09 0.00 0.00 178.44 180.11 3hwt h ALA 264 N 0.81 0.98 -0.30 1.53 0.00 -0.94 -0.54 119.26 120.80 3hwt h ALA 264 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3hwt h ALA 264 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hwt h ALA 264 CO 0.08 0.25 -0.22 0.87 0.00 0.00 0.00 179.25 180.23 3hwt h LYS 265 N 0.91 0.67 -0.16 0.00 1.57 -1.20 -1.50 116.57 116.86 3hwt h LYS 265 Ca 0.30 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hwt h LYS 265 Cb 0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3hwt h LYS 265 CO -0.12 0.93 -0.03 0.00 -0.57 0.00 0.00 179.45 179.66 3hwt h ALA 266 N 0.73 0.11 -0.76 3.86 0.00 -0.90 0.12 119.26 122.42 3hwt h ALA 266 Ca 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hwt h ALA 266 Cb 0.77 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hwt h ALA 266 CO 0.06 -0.47 0.28 1.88 0.00 0.00 0.00 179.25 181.00 3hwt h TYR 267 N 0.01 1.16 -0.03 0.00 0.05 -1.09 -0.84 116.97 116.23 3hwt h TYR 267 Ca 0.08 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3hwt h TYR 267 Cb 0.11 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 3hwt h TYR 267 CO -0.18 0.89 0.02 1.03 -1.05 0.00 0.00 178.16 178.86 3hwt h SER 268 N 1.10 0.03 0.61 3.88 0.87 -0.53 -1.36 113.55 118.16 3hwt h SER 268 Ca 0.25 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3hwt h SER 268 Cb 0.23 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3hwt h SER 268 CO -0.02 0.03 -0.14 -0.37 -0.53 0.00 0.00 176.83 175.80 3hwt h VAL 269 N 0.03 0.49 -0.00 2.23 -1.51 -0.58 -2.09 116.25 114.81 3hwt h VAL 269 Ca 0.01 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3hwt h VAL 269 Cb 0.00 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3hwt h VAL 269 CO -0.00 0.14 -0.14 0.00 -1.23 0.00 0.00 177.57 176.34 3hwt n GLN 270 N -3.47 0.18 -0.07 5.19 6.02 -0.34 -4.73 117.38 120.16 3hwt n GLN 270 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3hwt n GLN 270 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3hwt n GLN 270 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwt n GLY 271 N 1.44 0.50 3.23 1.08 0.00 -0.65 -4.99 105.19 105.80 3hwt n GLY 271 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hwt n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hwt n ASP 272 N 0.00 5.06 -0.23 1.61 -0.08 -0.61 -4.82 116.55 117.49 3hwt n ASP 272 Ca 0.00 -3.01 -0.02 0.00 -1.51 0.00 0.00 54.79 50.26 3hwt n ASP 272 Cb 0.00 -1.57 0.10 0.00 2.34 0.00 0.00 41.12 41.99 3hwt n ASP 272 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3hwt h LYS 273 N 6.65 0.69 -0.22 -0.67 2.10 -1.88 -1.36 116.57 121.88 3hwt h LYS 273 Ca 0.37 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.83 3hwt h LYS 273 Cb 0.78 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 3hwt h LYS 273 CO 1.44 0.46 -0.50 -1.49 -2.00 0.00 0.00 179.45 177.35 3hwt h TRP 274 N 0.71 0.76 -0.54 0.07 4.06 -1.97 -0.64 115.95 118.40 3hwt h TRP 274 Ca 0.30 -0.25 -0.10 0.00 2.06 0.00 0.00 58.89 60.90 3hwt h TRP 274 Cb 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3hwt h TRP 274 CO -0.07 0.99 -0.04 -0.09 -3.56 0.00 0.00 178.44 175.67 3hwt h ARG 275 N 0.48 0.97 -0.45 0.49 2.43 -1.92 0.13 114.38 116.51 3hwt h ARG 275 Ca 0.02 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 3hwt h ARG 275 Cb 1.04 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 3hwt h ARG 275 CO 0.10 1.00 0.24 0.00 -1.51 0.00 0.00 179.97 179.80 3hwt h ALA 276 N 0.94 0.56 0.00 2.80 0.00 -1.05 -0.29 119.26 122.23 3hwt h ALA 276 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hwt h ALA 276 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hwt h ALA 276 CO 0.04 -0.10 -0.38 -0.07 0.00 0.00 0.00 179.25 178.73 3hwt h LEU 277 N 0.48 0.00 -0.11 0.00 3.38 -0.84 -0.60 115.31 117.61 3hwt h LEU 277 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hwt h LEU 277 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hwt h LEU 277 CO -0.11 0.38 0.06 1.23 0.09 0.00 0.00 178.44 180.09 3hwt h GLY 278 N 1.32 0.17 0.93 0.83 0.00 0.41 -0.46 103.07 106.28 3hwt h GLY 278 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3hwt h GLY 278 CO 0.05 0.08 0.11 -0.97 0.00 0.00 0.00 176.54 175.81 3hwt h TYR 279 N 0.06 0.63 -0.86 5.60 -1.99 -0.82 -2.43 116.97 117.16 3hwt h TYR 279 Ca 0.04 -0.07 0.10 0.00 2.00 0.00 0.00 58.73 60.80 3hwt h TYR 279 Cb 0.11 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 38.58 3hwt h TYR 279 CO -0.03 0.60 0.51 0.00 -0.00 0.00 0.00 178.16 179.24 3hwt h ALA 280 N 0.96 1.25 -0.40 3.88 0.00 -0.90 0.91 119.26 124.95 3hwt h ALA 280 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hwt h ALA 280 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hwt h ALA 280 CO -0.00 0.13 0.11 -0.22 0.00 0.00 0.00 179.25 179.27 3hwt h LYS 281 N 0.84 0.62 -0.01 0.00 3.64 -0.82 -0.96 116.57 119.89 3hwt h LYS 281 Ca 0.42 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3hwt h LYS 281 Cb 0.38 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hwt h LYS 281 CO -0.25 0.64 0.01 0.00 -2.27 0.00 0.00 179.45 177.57 3hwt h ALA 282 N 0.96 0.02 -0.56 5.00 0.00 -0.86 -1.15 119.26 122.66 3hwt h ALA 282 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3hwt h ALA 282 Cb 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3hwt h ALA 282 CO -0.00 -0.46 0.17 0.82 0.00 0.00 0.00 179.25 179.78 3hwt h ILE 283 N -0.03 0.74 -0.70 0.00 2.04 -0.73 0.38 117.51 119.21 3hwt h ILE 283 Ca 0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hwt h ILE 283 Cb 0.05 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3hwt h ILE 283 CO -0.00 0.06 0.43 0.78 0.00 0.00 0.00 178.15 179.42 3hwt h ASN 284 N 0.32 0.83 0.30 1.72 -0.26 -0.86 -1.20 115.58 116.43 3hwt h ASN 284 Ca 0.28 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3hwt h ASN 284 Cb 0.37 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3hwt h ASN 284 CO -0.32 0.63 -0.14 0.00 -1.06 0.00 0.00 177.43 176.54 3hwt h ALA 285 N 1.51 -0.40 -0.62 -0.83 0.00 0.20 -2.91 119.26 116.21 3hwt h ALA 285 Ca 0.25 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3hwt h ALA 285 Cb -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hwt h ALA 285 CO -0.05 -0.58 0.43 -0.07 0.00 0.00 0.00 179.25 178.97 3hwt h LEU 286 N -0.68 0.21 0.00 0.00 3.38 -0.72 0.31 115.31 117.80 3hwt h LEU 286 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hwt h LEU 286 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hwt h LEU 286 CO 0.07 0.11 0.00 0.29 0.09 0.00 0.00 178.44 179.00 3hwt n LYS 287 N -4.43 0.83 -1.87 1.13 5.02 -0.48 -3.19 118.16 115.17 3hwt n LYS 287 Ca 0.11 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 3hwt n LYS 287 Cb 0.53 -1.42 0.05 0.00 -0.02 0.00 0.00 35.03 34.17 3hwt n LYS 287 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hwt n SER 288 N -0.92 1.42 -4.65 4.39 3.41 0.11 -5.07 113.62 112.31 3hwt n SER 288 Ca 0.17 -2.25 -0.37 0.00 -0.26 0.00 0.00 58.87 56.16 3hwt n SER 288 Cb 0.08 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 3hwt n SER 288 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hwt s PHE 289 N -1.64 3.32 0.28 7.33 0.40 -1.13 -4.94 117.98 121.60 3hwt s PHE 289 Ca 0.33 0.31 0.10 0.00 -0.60 0.00 0.00 56.93 57.08 3hwt s PHE 289 Cb 0.37 -2.35 0.57 0.00 0.51 0.00 0.00 43.02 42.11 3hwt s PHE 289 CO -0.11 0.02 1.20 1.12 0.70 0.00 0.00 175.22 178.15 3hwt h HIS 290 N 7.59 0.00 -2.75 0.36 2.07 -1.93 -3.40 115.15 117.08 3hwt h HIS 290 Ca -0.37 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.08 3hwt h HIS 290 Cb 1.17 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.98 3hwt h HIS 290 CO 0.68 0.00 0.00 -1.59 -3.07 0.00 0.00 177.93 173.96 3hwt s LYS 291 N -3.43 0.99 0.20 5.12 0.00 -1.26 -5.14 119.74 116.22 3hwt s LYS 291 Ca -0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 55.97 55.46 3hwt s LYS 291 Cb 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 37.83 38.22 3hwt s LYS 291 CO 0.09 -0.34 1.33 -1.25 0.00 0.00 0.00 175.35 175.19 3hwt s PRO 292 N -2.21 4.37 -0.28 1.78 0.04 -1.26 -4.89 135.00 132.55 3hwt s PRO 292 Ca -0.07 2.09 -0.39 0.00 0.04 0.00 0.00 61.00 62.68 3hwt s PRO 292 Cb -0.01 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 31.20 3hwt s PRO 292 CO 0.00 -0.29 1.84 1.55 0.04 0.00 0.00 177.00 180.14 3hwt n VAL 293 N 2.69 0.32 0.45 -0.36 3.14 -1.26 -4.83 118.33 118.49 3hwt n VAL 293 Ca 0.07 -0.09 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 3hwt n VAL 293 Cb 0.42 -1.34 -0.04 0.00 -1.06 0.00 0.00 33.84 31.83 3hwt n VAL 293 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3hwt n THR 294 N 5.11 0.00 -3.45 1.55 -1.04 -1.26 -5.03 114.28 110.16 3hwt n THR 294 Ca 0.29 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 3hwt n THR 294 Cb 0.16 1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 69.68 3hwt n THR 294 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hwt s SER 295 N -1.72 -0.58 0.14 8.00 1.04 -1.26 -5.03 113.70 114.28 3hwt s SER 295 Ca 0.05 0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.48 3hwt s SER 295 Cb 0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3hwt s SER 295 CO 0.35 -0.87 1.73 0.22 0.98 0.00 0.00 173.24 175.65 3hwt h TYR 296 N 2.24 0.08 -0.42 5.02 3.20 -1.97 -0.46 116.97 124.66 3hwt h TYR 296 Ca -0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3hwt h TYR 296 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3hwt h TYR 296 CO 0.27 0.02 0.28 1.96 -1.64 0.00 0.00 178.16 179.05 3hwt h GLN 297 N 0.15 0.56 -0.36 1.82 1.08 -1.98 -1.62 115.11 114.76 3hwt h GLN 297 Ca 0.12 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.12 3hwt h GLN 297 Cb 0.12 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3hwt h GLN 297 CO -0.16 0.37 -0.42 1.49 -0.95 0.00 0.00 178.83 179.17 3hwt h GLU 298 N 0.58 0.91 -0.28 1.46 4.81 -1.71 -2.63 114.58 117.72 3hwt h GLU 298 Ca 0.16 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3hwt h GLU 298 Cb -0.07 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3hwt h GLU 298 CO -0.03 1.14 0.09 0.00 -0.73 0.00 0.00 179.01 179.48 3hwt h ALA 299 N 0.78 0.36 0.00 2.92 0.00 -0.38 -2.46 119.26 120.49 3hwt h ALA 299 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hwt h ALA 299 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hwt h ALA 299 CO 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3hwt h SER 301 N 0.00 0.00 -3.44 0.00 4.64 -1.05 -3.45 113.55 110.25 3hwt h SER 301 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hwt h SER 301 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3hwt h SER 301 CO 0.00 0.16 0.31 -0.63 -0.87 0.00 0.00 176.83 175.80 3hwt s ILE 302 N -3.32 4.81 0.12 0.95 1.01 -0.75 -5.02 121.20 119.01 3hwt s ILE 302 Ca 0.04 1.93 -0.31 0.00 0.00 0.00 0.00 60.65 62.31 3hwt s ILE 302 Cb 0.07 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 3hwt s ILE 302 CO 0.66 0.22 1.35 -2.16 0.00 0.00 0.00 174.94 175.01 3hwt s PRO 303 N 0.68 4.35 0.00 2.79 0.04 -1.26 -2.14 135.00 139.46 3hwt s PRO 303 Ca 0.48 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3hwt s PRO 303 Cb -0.21 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3hwt s PRO 303 CO 0.26 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3hwt n GLY 304 N 3.26 0.55 3.00 0.56 0.00 -1.26 -4.91 105.19 106.39 3hwt n GLY 304 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3hwt n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwt s ILE 305 N -2.00 1.01 0.20 -0.61 1.01 -0.91 -4.05 121.20 115.85 3hwt s ILE 305 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3hwt s ILE 305 Cb 0.00 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 3hwt s ILE 305 CO 0.00 0.33 0.04 0.61 0.00 0.00 0.00 174.94 175.91 3hwt n GLY 306 N 3.79 3.80 0.37 6.18 0.00 -1.26 -4.61 105.19 113.45 3hwt n GLY 306 Ca -0.23 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.61 3hwt n GLY 306 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwt h LYS 307 N 0.00 -0.18 -0.35 1.61 1.57 -1.96 0.55 116.57 117.81 3hwt h LYS 307 Ca -0.16 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3hwt h LYS 307 Cb 0.55 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 3hwt h LYS 307 CO 0.26 -0.12 -0.54 0.00 -0.57 0.00 0.00 179.45 178.48 3hwt h ARG 308 N -0.19 -0.42 -0.55 3.15 2.47 -1.99 0.71 114.38 117.56 3hwt h ARG 308 Ca 0.21 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.89 3hwt h ARG 308 Cb 0.56 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 3hwt h ARG 308 CO -0.70 -0.28 0.06 1.98 0.56 0.00 0.00 179.97 181.60 3hwt h MET 309 N -0.43 0.93 -0.51 0.04 4.05 -1.81 -2.69 114.93 114.51 3hwt h MET 309 Ca 0.07 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.27 3hwt h MET 309 Cb 0.62 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 3hwt h MET 309 CO -0.56 0.91 0.25 0.00 0.23 0.00 0.00 176.91 177.74 3hwt h ALA 310 N 0.98 0.64 -0.21 0.39 0.00 0.97 -0.33 119.26 121.70 3hwt h ALA 310 Ca 0.16 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hwt h ALA 310 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hwt h ALA 310 CO 0.02 -0.10 0.00 1.05 0.00 0.00 0.00 179.25 180.22 3hwt h GLU 311 N 0.49 0.07 -0.58 0.00 4.11 0.60 0.30 114.58 119.56 3hwt h GLU 311 Ca 0.22 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 3hwt h GLU 311 Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3hwt h GLU 311 CO -0.16 0.05 0.38 0.87 0.07 0.00 0.00 179.01 180.21 3hwt h LYS 312 N 0.07 0.78 0.15 1.06 1.57 -1.10 -1.40 116.57 117.70 3hwt h LYS 312 Ca 0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hwt h LYS 312 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3hwt h LYS 312 CO -0.17 0.52 -0.07 0.82 -0.57 0.00 0.00 179.45 179.99 3hwt h ILE 313 N 0.80 1.00 0.00 1.86 2.04 -0.03 -0.69 117.51 122.48 3hwt h ILE 313 Ca 0.21 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3hwt h ILE 313 Cb -0.07 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3hwt h ILE 313 CO -0.04 0.17 0.04 -0.38 0.00 0.00 0.00 178.15 177.93 3hwt n ILE 314 N -5.02 1.25 -0.07 -0.67 5.41 0.97 -0.73 119.36 120.51 3hwt n ILE 314 Ca -0.09 0.67 -0.22 0.00 1.00 0.00 0.00 62.75 64.11 3hwt n ILE 314 Cb 0.23 -1.67 -0.12 0.00 -0.71 0.00 0.00 39.64 37.36 3hwt n ILE 314 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3hwt n GLU 315 N -2.00 0.67 -0.14 0.38 2.13 -0.57 -3.46 120.64 117.65 3hwt n GLU 315 Ca -0.01 0.32 -0.11 0.00 0.66 0.00 0.00 57.16 58.02 3hwt n GLU 315 Cb 0.06 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.13 3hwt n GLU 315 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3hwt h ILE 316 N -0.36 1.27 0.00 6.31 2.04 -0.16 0.64 117.51 127.25 3hwt h ILE 316 Ca -0.47 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 63.96 3hwt h ILE 316 Cb 1.77 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3hwt h ILE 316 CO -0.09 0.49 0.00 0.17 0.00 0.00 0.00 178.15 178.72 3hwt h LEU 317 N 0.81 0.00 0.00 1.44 -0.00 -1.12 -2.41 115.31 114.03 3hwt h LEU 317 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3hwt h LEU 317 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 3hwt h LEU 317 CO 0.07 0.00 0.00 -1.84 -0.00 0.00 0.00 178.44 176.67 3hwt n GLU 318 N -2.90 0.00 0.09 0.17 0.28 -1.01 -4.66 120.64 112.61 3hwt n GLU 318 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.07 3hwt n GLU 318 Cb 0.30 -0.18 0.29 0.00 1.43 0.00 0.00 31.44 33.28 3hwt n GLU 318 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3hwt n SER 319 N -2.01 0.28 0.00 -1.84 7.64 0.22 -4.79 113.62 113.12 3hwt n SER 319 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3hwt n SER 319 Cb 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 3hwt n SER 319 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hwt n GLY 320 N -1.36 2.25 3.15 0.23 0.00 -0.90 -4.93 105.19 103.63 3hwt n GLY 320 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3hwt n GLY 320 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hwt s HIS 321 N -2.54 0.19 -0.29 1.61 0.00 -1.26 -4.95 115.29 108.05 3hwt s HIS 321 Ca 0.00 -0.53 -0.04 0.00 -3.00 0.00 0.00 55.06 51.49 3hwt s HIS 321 Cb 0.00 -0.13 0.03 0.00 -4.00 0.00 0.00 32.58 28.49 3hwt s HIS 321 CO 0.00 -0.42 0.02 -0.51 -1.00 0.00 0.00 174.74 172.83 3hwt s LEU 322 N -2.36 3.78 0.46 5.38 2.01 -1.26 -4.16 118.68 122.53 3hwt s LEU 322 Ca -0.02 -1.02 0.25 0.00 0.01 0.00 0.00 54.13 53.36 3hwt s LEU 322 Cb 0.01 -1.77 1.28 0.00 0.01 0.00 0.00 46.19 45.72 3hwt s LEU 322 CO -0.06 -0.22 1.79 0.03 1.01 0.00 0.00 176.35 178.90 3hwt h ARG 323 N 8.10 0.23 -0.20 1.70 -0.00 -1.97 -1.35 114.38 120.88 3hwt h ARG 323 Ca -0.27 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.24 3hwt h ARG 323 Cb 1.09 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.97 3hwt h ARG 323 CO 0.57 0.15 -0.06 1.57 0.00 0.00 0.00 179.97 182.20 3hwt h LYS 324 N 0.23 -0.01 -0.14 0.04 2.10 -1.99 -2.05 116.57 114.75 3hwt h LYS 324 Ca 0.57 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 59.26 3hwt h LYS 324 Cb 1.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.08 3hwt h LYS 324 CO -0.18 -0.01 0.11 -0.07 -2.00 0.00 0.00 179.45 177.30 3hwt h LEU 325 N -0.01 0.00 -0.69 7.07 3.38 -1.63 -1.07 115.31 122.36 3hwt h LEU 325 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hwt h LEU 325 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hwt h LEU 325 CO -0.22 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.78 3hwt n ASP 326 N -4.32 1.03 0.00 -0.43 9.92 -0.78 -3.61 116.55 118.36 3hwt n ASP 326 Ca 0.00 -1.65 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 3hwt n ASP 326 Cb 0.24 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3hwt n ASP 326 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hwt n HIS 327 N -0.08 0.00 -2.27 1.24 -0.00 -0.41 -5.04 115.22 108.66 3hwt n HIS 327 Ca 0.14 -0.38 -0.42 0.00 -0.00 0.00 0.00 57.72 57.06 3hwt n HIS 327 Cb 0.22 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.14 3hwt n HIS 327 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hwt s ILE 328 N -0.76 3.64 0.36 0.61 1.01 -1.20 -4.95 121.20 119.91 3hwt s ILE 328 Ca 0.00 1.16 -0.24 0.00 0.00 0.00 0.00 60.65 61.56 3hwt s ILE 328 Cb 0.00 -3.74 -0.14 0.00 0.01 0.00 0.00 42.46 38.59 3hwt s ILE 328 CO 0.00 0.07 0.63 -0.24 0.00 0.00 0.00 174.94 175.40 3hwt n SER 329 N 4.20 -0.53 0.00 3.58 2.88 -1.26 -4.83 113.62 117.65 3hwt n SER 329 Ca 0.11 1.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.75 3hwt n SER 329 Cb 0.44 -1.12 0.50 0.00 -0.75 0.00 0.00 64.21 63.28 3hwt n SER 329 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3hwt n GLU 330 N 0.71 0.22 0.17 -1.46 0.28 -1.26 -2.80 120.64 116.50 3hwt n GLU 330 Ca 0.12 0.10 0.06 0.00 -0.16 0.00 0.00 57.16 57.28 3hwt n GLU 330 Cb 0.36 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.84 3hwt n GLU 330 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hwt h SER 331 N 0.00 0.00 -0.18 -1.84 4.64 -2.02 -3.37 113.55 110.78 3hwt h SER 331 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3hwt h SER 331 Cb 0.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 3hwt h SER 331 CO 0.00 0.35 -0.26 0.58 -0.87 0.00 0.00 176.83 176.63 3hwt h VAL 332 N 0.00 0.38 -0.91 0.95 2.07 -1.88 0.13 116.25 116.99 3hwt h VAL 332 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3hwt h VAL 332 Cb 1.22 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3hwt h VAL 332 CO 0.05 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.51 3hwt h PRO 333 N -0.30 0.76 -0.30 1.57 0.11 -1.83 0.18 132.00 132.19 3hwt h PRO 333 Ca 0.12 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 3hwt h PRO 333 Cb 0.48 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3hwt h PRO 333 CO -0.35 0.50 -0.23 0.28 -0.21 0.00 0.00 178.00 177.99 3hwt h VAL 334 N 0.78 1.30 -0.86 3.15 2.07 -1.62 -1.20 116.25 119.86 3hwt h VAL 334 Ca 0.47 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3hwt h VAL 334 Cb 0.58 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3hwt h VAL 334 CO -0.31 0.44 0.57 -0.07 0.02 0.00 0.00 177.57 178.22 3hwt h LEU 335 N 0.45 0.97 -0.59 2.57 3.38 0.38 -0.78 115.31 121.69 3hwt h LEU 335 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hwt h LEU 335 Cb 0.79 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hwt h LEU 335 CO 0.06 0.69 0.21 -0.08 0.09 0.00 0.00 178.44 179.41 3hwt h GLU 336 N 1.14 0.90 -0.19 1.13 4.81 -0.55 0.10 114.58 121.93 3hwt h GLU 336 Ca 0.33 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3hwt h GLU 336 Cb -0.09 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3hwt h GLU 336 CO -0.08 0.79 0.06 1.25 -0.73 0.00 0.00 179.01 180.30 3hwt h LEU 337 N 0.82 0.07 -0.19 1.64 5.85 -0.57 -2.13 115.31 120.81 3hwt h LEU 337 Ca 0.19 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3hwt h LEU 337 Cb 0.25 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hwt h LEU 337 CO -0.01 0.07 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.82 3hwt h PHE 338 N 0.15 0.44 0.00 1.25 0.05 -1.00 -3.02 116.94 114.81 3hwt h PHE 338 Ca 0.08 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.77 3hwt h PHE 338 Cb 0.05 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 37.90 3hwt h PHE 338 CO -0.12 0.67 0.00 -1.13 -0.18 0.00 0.00 178.31 177.55 3hwt n SER 339 N -4.60 0.00 -0.15 2.17 3.41 0.35 -2.03 113.62 112.77 3hwt n SER 339 Ca -0.05 -0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.39 3hwt n SER 339 Cb 0.30 -0.18 0.36 0.00 -0.26 0.00 0.00 64.21 64.44 3hwt n SER 339 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hwt n ASN 340 N -1.18 0.43 -4.68 4.04 3.02 -0.81 -4.72 115.26 111.37 3hwt n ASN 340 Ca 0.12 -1.65 -0.40 0.00 -0.03 0.00 0.00 54.58 52.62 3hwt n ASN 340 Cb 0.12 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.20 3hwt n ASN 340 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hwt s ILE 341 N -1.93 5.01 0.13 2.41 1.01 -0.86 -4.96 121.20 122.01 3hwt s ILE 341 Ca 0.22 1.30 -0.34 0.00 0.00 0.00 0.00 60.65 61.83 3hwt s ILE 341 Cb 0.11 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 3hwt s ILE 341 CO 0.17 0.14 1.64 1.87 0.00 0.00 0.00 174.94 178.75 3hwt n TRP 342 N 4.74 2.33 -0.10 3.97 -0.00 -1.26 -1.36 117.44 125.77 3hwt n TRP 342 Ca -0.01 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 3hwt n TRP 342 Cb 0.50 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 29.23 3hwt n TRP 342 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hwt n GLY 343 N 3.61 0.80 3.40 5.87 0.00 -1.26 -3.56 105.19 114.06 3hwt n GLY 343 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hwt n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwt s ALA 344 N -2.39 2.61 0.00 4.61 0.00 -0.46 -4.81 121.76 121.32 3hwt s ALA 344 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3hwt s ALA 344 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3hwt s ALA 344 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.52 3hwt n GLY 345 N 3.13 6.42 0.23 0.00 0.00 -1.26 -4.60 105.19 109.11 3hwt n GLY 345 Ca -0.18 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 43.84 3hwt n GLY 345 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hwt h THR 346 N 0.32 0.66 -0.49 2.61 2.02 -1.93 -1.13 112.91 114.98 3hwt h THR 346 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3hwt h THR 346 Cb 0.00 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3hwt h THR 346 CO 0.00 0.05 0.25 0.11 0.37 0.00 0.00 175.52 176.30 3hwt h LYS 347 N 0.29 0.69 -0.43 6.66 1.79 -1.96 -0.54 116.57 123.07 3hwt h LYS 347 Ca 0.31 -0.09 -0.13 0.00 -2.18 0.00 0.00 60.65 58.57 3hwt h LYS 347 Cb 0.45 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3hwt h LYS 347 CO -0.38 0.56 -0.22 1.15 -1.08 0.00 0.00 179.45 179.48 3hwt h THR 348 N 0.64 1.27 -0.47 -0.16 2.02 -1.88 -1.58 112.91 112.76 3hwt h THR 348 Ca 0.17 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3hwt h THR 348 Cb 0.09 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3hwt h THR 348 CO -0.02 0.47 0.24 0.00 0.37 0.00 0.00 175.52 176.58 3hwt h ALA 349 N 0.83 0.60 -0.45 6.16 0.00 -1.01 0.10 119.26 125.49 3hwt h ALA 349 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hwt h ALA 349 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hwt h ALA 349 CO 0.07 0.14 -0.02 1.96 0.00 0.00 0.00 179.25 181.40 3hwt h GLN 350 N 0.61 0.74 -0.17 0.00 4.20 -1.02 -0.75 115.11 118.73 3hwt h GLN 350 Ca 0.16 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3hwt h GLN 350 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3hwt h GLN 350 CO -0.02 0.77 0.03 1.98 -0.67 0.00 0.00 178.83 180.91 3hwt h MET 351 N 0.69 0.28 -0.97 1.46 4.05 -0.77 -0.68 114.93 118.99 3hwt h MET 351 Ca 0.14 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3hwt h MET 351 Cb 0.45 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.17 3hwt h MET 351 CO 0.02 0.45 0.64 -1.49 0.23 0.00 0.00 176.91 176.76 3hwt h TRP 352 N 0.06 1.22 -0.16 1.39 6.55 -0.80 -0.95 115.95 123.26 3hwt h TRP 352 Ca 0.05 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 3hwt h TRP 352 Cb 0.31 -0.41 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 3hwt h TRP 352 CO 0.02 0.76 0.05 -0.92 -1.05 0.00 0.00 178.44 177.30 3hwt h TYR 353 N 1.31 0.25 -0.56 0.49 5.03 -0.94 -1.55 116.97 121.00 3hwt h TYR 353 Ca 0.36 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.71 3hwt h TYR 353 Cb -0.15 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.03 3hwt h TYR 353 CO -0.00 0.35 0.37 0.37 -1.32 0.00 0.00 178.16 177.93 3hwt h GLN 354 N 0.07 0.49 0.00 1.82 -0.00 -0.69 0.19 115.11 116.99 3hwt h GLN 354 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 3hwt h GLN 354 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.59 3hwt h GLN 354 CO -0.00 0.32 0.00 1.04 0.00 0.00 0.00 178.83 180.19 3hwt n GLN 355 N -4.47 0.81 -0.47 1.69 6.02 -0.40 -4.86 117.38 115.71 3hwt n GLN 355 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3hwt n GLN 355 Cb 0.25 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.19 3hwt n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwt n GLY 356 N 0.52 0.76 3.75 1.08 0.00 0.66 -5.06 105.19 106.90 3hwt n GLY 356 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3hwt n GLY 356 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwt s PHE 357 N -2.26 3.93 0.00 1.61 2.99 -0.63 -4.94 117.98 118.67 3hwt s PHE 357 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 56.93 58.75 3hwt s PHE 357 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 43.02 40.08 3hwt s PHE 357 CO 0.00 0.41 0.00 0.54 -0.00 0.00 0.00 175.22 176.17 3hwt n ARG 358 N 1.83 3.31 -4.14 0.44 5.12 -1.26 -4.32 116.66 117.63 3hwt n ARG 358 Ca -0.02 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.79 3hwt n ARG 358 Cb 0.48 -0.30 -0.09 0.00 -1.16 0.00 0.00 32.46 31.38 3hwt n ARG 358 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hwt s SER 359 N -0.54 0.18 0.46 0.55 1.04 -1.26 -4.89 113.70 109.24 3hwt s SER 359 Ca 0.00 -1.23 0.21 0.00 0.48 0.00 0.00 55.95 55.41 3hwt s SER 359 Cb 0.00 0.37 1.11 0.00 0.10 0.00 0.00 66.02 67.60 3hwt s SER 359 CO 0.00 -0.82 1.96 -0.07 0.98 0.00 0.00 173.24 175.28 3hwt h LEU 360 N 2.68 0.00 -0.58 2.42 3.38 -1.99 -1.61 115.31 119.61 3hwt h LEU 360 Ca -0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3hwt h LEU 360 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3hwt h LEU 360 CO 0.54 0.22 -0.06 -0.08 0.09 0.00 0.00 178.44 179.14 3hwt h GLU 361 N 0.00 1.07 -0.68 1.13 4.57 -1.98 0.49 114.58 119.18 3hwt h GLU 361 Ca -0.00 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3hwt h GLU 361 Cb 0.49 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3hwt h GLU 361 CO 0.03 1.07 0.41 -0.44 -1.18 0.00 0.00 179.01 178.90 3hwt h ASP 362 N 0.96 0.82 -0.21 1.04 3.45 -1.72 -1.01 116.42 119.74 3hwt h ASP 362 Ca 0.16 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3hwt h ASP 362 Cb 0.63 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3hwt h ASP 362 CO 0.04 0.64 0.04 0.40 -1.57 0.00 0.00 179.24 178.79 3hwt h ILE 363 N 0.93 1.22 -0.46 0.35 1.08 -0.97 0.21 117.51 119.87 3hwt h ILE 363 Ca 0.24 -0.74 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 3hwt h ILE 363 Cb -0.02 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 3hwt h ILE 363 CO -0.05 0.23 0.21 -0.09 -0.69 0.00 0.00 178.15 177.77 3hwt h ARG 364 N 0.15 0.41 0.04 2.37 1.12 0.36 -2.39 114.38 116.44 3hwt h ARG 364 Ca 0.06 -0.02 -0.31 0.00 -1.11 0.00 0.00 59.98 58.60 3hwt h ARG 364 Cb 0.31 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.14 3hwt h ARG 364 CO 0.00 0.27 -1.78 -1.13 -3.11 0.00 0.00 179.97 174.22 3hwt n SER 365 N -4.93 1.25 -0.03 -3.80 3.41 -0.42 -4.69 113.62 104.41 3hwt n SER 365 Ca 0.03 0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 3hwt n SER 365 Cb 0.14 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 3hwt n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwt n GLN 366 N -3.18 2.37 -2.19 4.33 6.02 0.72 -5.06 117.38 120.39 3hwt n GLN 366 Ca -0.21 0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 3hwt n GLN 366 Cb 1.05 -1.17 0.01 0.00 1.02 0.00 0.00 30.24 31.15 3hwt n GLN 366 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwt s ALA 367 N -2.16 2.65 -0.17 -1.58 0.00 -0.90 -5.00 121.76 114.61 3hwt s ALA 367 Ca -0.05 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 3hwt s ALA 367 Cb 0.02 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3hwt s ALA 367 CO 0.25 -0.87 0.72 0.45 0.00 0.00 0.00 175.76 176.31 3hwt s SER 368 N -1.74 6.84 0.01 0.00 0.15 -1.26 -4.92 113.70 112.78 3hwt s SER 368 Ca 0.74 1.02 0.07 0.00 0.70 0.00 0.00 55.95 58.48 3hwt s SER 368 Cb -0.25 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3hwt s SER 368 CO 0.29 -0.30 -0.21 -0.76 1.20 0.00 0.00 173.24 173.46 3hwt s LEU 369 N 1.84 2.43 0.81 3.45 1.43 -1.26 -5.11 118.68 122.27 3hwt s LEU 369 Ca 0.34 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3hwt s LEU 369 Cb -0.16 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.69 3hwt s LEU 369 CO 0.12 0.29 1.18 0.42 0.23 0.00 0.00 176.35 178.58 3hwt s THR 370 N -0.80 2.06 0.25 5.49 -4.23 -1.26 -4.84 115.64 112.32 3hwt s THR 370 Ca 0.13 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 3hwt s THR 370 Cb -0.10 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.94 3hwt s THR 370 CO 0.02 -0.03 1.89 0.74 -0.54 0.00 0.00 174.62 176.71 3hwt h THR 371 N -1.04 1.25 -0.26 3.99 2.02 -2.00 -1.60 112.91 115.27 3hwt h THR 371 Ca -0.46 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 3hwt h THR 371 Cb 1.33 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3hwt h THR 371 CO 0.66 0.27 -0.09 1.56 0.37 0.00 0.00 175.52 178.29 3hwt h GLN 372 N 1.23 0.51 -0.30 6.66 4.20 -1.90 -2.95 115.11 122.56 3hwt h GLN 372 Ca 0.32 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3hwt h GLN 372 Cb -0.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3hwt h GLN 372 CO -0.06 0.75 0.07 1.96 -0.67 0.00 0.00 178.83 180.88 3hwt h GLN 373 N 0.25 0.43 -0.17 1.46 4.20 -1.53 0.86 115.11 120.61 3hwt h GLN 373 Ca 0.06 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3hwt h GLN 373 Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3hwt h GLN 373 CO 0.03 0.40 -0.40 0.00 -0.67 0.00 0.00 178.83 178.20 3hwt h ALA 374 N 1.66 1.01 -0.21 3.87 0.00 -1.24 0.53 119.26 124.87 3hwt h ALA 374 Ca 0.10 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3hwt h ALA 374 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hwt h ALA 374 CO -0.00 0.61 -0.46 0.82 0.00 0.00 0.00 179.25 180.22 3hwt h ILE 375 N 0.32 1.32 -0.65 0.00 2.04 -1.18 -1.74 117.51 117.62 3hwt h ILE 375 Ca 0.03 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.24 3hwt h ILE 375 Cb 0.84 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3hwt h ILE 375 CO 0.07 0.53 0.40 1.23 0.00 0.00 0.00 178.15 180.37 3hwt h GLY 376 N 0.37 0.93 0.96 5.37 0.00 -0.52 -2.13 103.07 108.04 3hwt h GLY 376 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3hwt h GLY 376 CO 0.10 0.26 0.07 -2.00 0.00 0.00 0.00 176.54 174.97 3hwt h LEU 377 N 0.79 0.71 -2.15 3.11 5.85 -0.84 -0.41 115.31 122.36 3hwt h LEU 377 Ca 0.26 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hwt h LEU 377 Cb 0.02 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3hwt h LEU 377 CO -0.10 0.79 0.01 0.50 -0.34 0.00 0.00 178.44 179.29 3hwt h LYS 378 N 0.60 0.00 -0.14 1.25 3.64 -0.88 -1.89 116.57 119.15 3hwt h LYS 378 Ca 0.14 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3hwt h LYS 378 Cb 0.38 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3hwt h LYS 378 CO 0.01 0.00 -0.21 0.72 -2.27 0.00 0.00 179.45 177.70 3hwt n HIS 379 N -4.31 0.44 -0.21 1.91 8.25 -0.84 -4.88 115.22 115.58 3hwt n HIS 379 Ca -0.03 -1.36 -0.13 0.00 -0.26 0.00 0.00 57.72 55.95 3hwt n HIS 379 Cb 0.10 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 30.80 3hwt n HIS 379 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hwt h TYR 380 N 0.88 -1.75 -0.03 4.41 3.20 -0.22 -0.39 116.97 123.07 3hwt h TYR 380 Ca 0.07 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hwt h TYR 380 Cb 1.25 0.84 -0.00 0.00 1.54 0.00 0.00 36.73 40.36 3hwt h TYR 380 CO 0.66 -0.46 0.02 0.77 -1.64 0.00 0.00 178.16 177.50 3hwt h SER 381 N -0.30 0.04 -0.69 -2.11 0.02 -1.88 -3.01 113.55 105.63 3hwt h SER 381 Ca 0.10 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3hwt h SER 381 Cb 0.55 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 3hwt h SER 381 CO -0.69 0.11 0.29 0.44 -1.14 0.00 0.00 176.83 175.85 3hwt h ASP 382 N -0.03 0.32 0.29 3.07 3.45 -1.80 -0.98 116.42 120.74 3hwt h ASP 382 Ca 0.01 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3hwt h ASP 382 Cb 0.08 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3hwt h ASP 382 CO -0.00 0.17 0.00 0.49 -1.57 0.00 0.00 179.24 178.33 3hwt n PHE 383 N -4.95 0.03 0.95 4.55 3.01 -0.19 -1.23 117.46 119.62 3hwt n PHE 383 Ca 0.11 0.01 0.10 0.00 1.01 0.00 0.00 57.45 58.69 3hwt n PHE 383 Cb 0.32 -0.52 -0.05 0.00 -0.01 0.00 0.00 39.48 39.22 3hwt n PHE 383 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hwt n LEU 384 N -1.53 0.86 -4.87 4.37 4.77 -0.38 -4.95 117.00 115.27 3hwt n LEU 384 Ca 0.02 -0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 3hwt n LEU 384 Cb 0.10 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3hwt n LEU 384 CO 0.08 0.21 0.29 -1.61 -1.33 0.00 0.00 177.39 175.03 3hwt s GLU 385 N -3.03 3.84 0.09 3.23 0.41 -0.37 -5.09 118.70 117.78 3hwt s GLU 385 Ca 0.08 0.38 0.04 0.00 -0.41 0.00 0.00 54.97 55.06 3hwt s GLU 385 Cb 0.16 -2.57 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 3hwt s GLU 385 CO 0.84 0.24 0.02 1.03 -0.49 0.00 0.00 175.26 176.90 3hwt s ARG 386 N -2.98 2.63 0.19 1.61 0.52 -1.26 -4.82 118.95 114.83 3hwt s ARG 386 Ca 0.49 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 3hwt s ARG 386 Cb -0.11 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3hwt s ARG 386 CO 0.21 0.55 0.19 0.00 0.02 0.00 0.00 175.30 176.27 3hwt s MET 387 N -2.31 3.03 0.39 3.54 0.23 -0.22 -4.86 119.30 119.10 3hwt s MET 387 Ca 0.26 -0.87 -0.26 0.00 -1.03 0.00 0.00 55.69 53.79 3hwt s MET 387 Cb -0.12 -2.69 -0.09 0.00 -1.53 0.00 0.00 34.83 30.40 3hwt s MET 387 CO 0.19 0.46 1.30 -2.14 -2.03 0.00 0.00 175.02 172.80 3hwt s PRO 388 N -3.38 4.04 0.38 3.16 0.02 -1.26 -0.91 135.00 137.05 3hwt s PRO 388 Ca 0.32 2.15 0.17 0.00 0.02 0.00 0.00 61.00 63.67 3hwt s PRO 388 Cb -0.10 -2.80 1.09 0.00 0.02 0.00 0.00 34.50 32.71 3hwt s PRO 388 CO 0.25 -0.43 1.74 -0.09 -0.33 0.00 0.00 177.00 178.14 3hwt h ARG 389 N 2.79 0.39 -0.88 5.54 2.43 -1.04 0.52 114.38 124.13 3hwt h ARG 389 Ca -0.49 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3hwt h ARG 389 Cb 1.24 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3hwt h ARG 389 CO 0.63 0.26 0.58 0.93 -1.51 0.00 0.00 179.97 180.86 3hwt h GLU 390 N 0.40 1.16 -0.16 0.20 5.08 -1.90 -1.56 114.58 117.81 3hwt h GLU 390 Ca 0.64 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.83 3hwt h GLU 390 Cb 1.56 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3hwt h GLU 390 CO -0.37 0.77 -0.34 1.49 -1.00 0.00 0.00 179.01 179.57 3hwt h GLU 391 N 1.20 0.33 -0.84 2.33 4.81 -1.25 -2.23 114.58 118.92 3hwt h GLU 391 Ca 0.32 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3hwt h GLU 391 Cb -0.13 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3hwt h GLU 391 CO -0.07 0.63 0.41 0.00 -0.73 0.00 0.00 179.01 179.25 3hwt h ALA 392 N 1.37 1.08 -0.14 2.92 0.00 -1.11 -1.17 119.26 122.20 3hwt h ALA 392 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hwt h ALA 392 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hwt h ALA 392 CO 0.06 0.64 0.08 1.15 0.00 0.00 0.00 179.25 181.17 3hwt h THR 393 N 1.19 1.02 -1.00 0.00 2.02 -0.84 -0.17 112.91 115.12 3hwt h THR 393 Ca 0.29 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.49 3hwt h THR 393 Cb 0.11 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 3hwt h THR 393 CO -0.04 0.03 0.64 -0.33 0.37 0.00 0.00 175.52 176.20 3hwt h GLU 394 N 0.17 1.09 -0.34 6.66 5.08 -0.95 -0.14 114.58 126.15 3hwt h GLU 394 Ca 0.05 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3hwt h GLU 394 Cb -0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3hwt h GLU 394 CO -0.03 0.72 -0.28 0.82 -1.00 0.00 0.00 179.01 179.25 3hwt h ILE 395 N 1.12 1.29 -0.30 3.13 2.04 -0.72 -2.00 117.51 122.08 3hwt h ILE 395 Ca 0.45 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3hwt h ILE 395 Cb 0.26 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3hwt h ILE 395 CO -0.20 0.47 0.18 -0.08 0.00 0.00 0.00 178.15 178.52 3hwt h GLU 396 N 0.56 0.40 -0.11 2.37 4.22 -0.36 -2.29 114.58 119.37 3hwt h GLU 396 Ca 0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 3hwt h GLU 396 Cb 0.85 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hwt h GLU 396 CO 0.07 0.31 -0.05 1.96 -2.18 0.00 0.00 179.01 179.12 3hwt h GLN 397 N 0.38 0.15 -0.48 1.92 7.50 -0.99 0.20 115.11 123.78 3hwt h GLN 397 Ca 0.11 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.14 3hwt h GLN 397 Cb 0.01 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 3hwt h GLN 397 CO -0.02 0.22 -0.07 1.15 -1.50 0.00 0.00 178.83 178.61 3hwt h THR 398 N 0.15 1.27 -0.05 -0.54 2.02 -0.86 -1.48 112.91 113.42 3hwt h THR 398 Ca 0.04 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 3hwt h THR 398 Cb 0.19 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3hwt h THR 398 CO 0.01 0.41 -0.11 0.58 0.37 0.00 0.00 175.52 176.78 3hwt h VAL 399 N 0.75 1.43 -0.04 3.16 2.07 -0.81 -2.87 116.25 119.94 3hwt h VAL 399 Ca 0.13 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.23 3hwt h VAL 399 Cb 0.60 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3hwt h VAL 399 CO 0.04 0.40 -0.21 -0.61 0.02 0.00 0.00 177.57 177.21 3hwt h GLN 400 N -0.35 -0.30 -0.61 1.57 4.15 -0.63 -0.93 115.11 118.01 3hwt h GLN 400 Ca 0.00 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3hwt h GLN 400 Cb 0.70 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.39 3hwt h GLN 400 CO 0.02 -0.20 0.25 0.87 -1.93 0.00 0.00 178.83 177.84 3hwt h LYS 401 N -0.31 0.43 -0.41 1.69 1.57 -1.35 0.30 116.57 118.49 3hwt h LYS 401 Ca 0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3hwt h LYS 401 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3hwt h LYS 401 CO -0.22 0.28 0.06 0.00 -0.57 0.00 0.00 179.45 179.00 3hwt h ALA 402 N 1.40 1.34 -0.05 3.86 0.00 -1.24 -1.46 119.26 123.11 3hwt h ALA 402 Ca 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hwt h ALA 402 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hwt h ALA 402 CO -0.28 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 3hwt h ALA 403 N 1.46 0.08 0.00 0.00 0.00 0.32 -3.12 119.26 117.99 3hwt h ALA 403 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hwt h ALA 403 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hwt h ALA 403 CO 0.00 -0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3hwt n GLN 404 N -4.67 0.00 -0.07 0.00 6.02 0.89 -2.69 117.38 116.86 3hwt n GLN 404 Ca -0.08 0.22 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 3hwt n GLN 404 Cb 0.35 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.19 3hwt n GLN 404 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwt h ALA 405 N 2.55 0.83 -0.01 -1.58 0.00 -1.20 -2.57 119.26 117.28 3hwt h ALA 405 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hwt h ALA 405 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hwt h ALA 405 CO 0.00 0.64 -0.43 1.97 0.00 0.00 0.00 179.25 181.43 3hwt n PHE 406 N -4.09 0.00 -3.02 0.00 -1.74 -1.15 -4.79 117.46 102.67 3hwt n PHE 406 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.88 3hwt n PHE 406 Cb 0.47 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.46 3hwt n PHE 406 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3hwt s ASN 407 N -2.14 -1.33 0.15 5.98 3.84 -1.10 -5.01 114.94 115.34 3hwt s ASN 407 Ca 0.14 -0.94 0.07 0.00 0.21 0.00 0.00 52.86 52.34 3hwt s ASN 407 Cb 0.14 1.71 0.40 0.00 -0.55 0.00 0.00 41.25 42.96 3hwt s ASN 407 CO 0.49 -0.12 1.13 -1.54 -2.79 0.00 0.00 177.10 174.27 3hwt n SER 408 N 3.88 0.19 0.18 -4.21 3.41 -0.97 -1.44 113.62 114.66 3hwt n SER 408 Ca 0.12 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3hwt n SER 408 Cb 0.58 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 64.14 3hwt n SER 408 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hwt h GLY 409 N 0.00 0.00 -4.35 5.00 0.00 -1.93 -3.47 103.07 98.33 3hwt h GLY 409 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3hwt h GLY 409 CO 0.00 0.00 0.55 1.04 0.00 0.00 0.00 176.54 178.13 3hwt n LEU 410 N -3.12 3.40 -4.51 3.11 4.77 -0.52 -4.61 117.00 115.52 3hwt n LEU 410 Ca 0.03 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.83 3hwt n LEU 410 Cb 0.61 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.12 3hwt n LEU 410 CO 0.37 -0.47 -0.27 -0.22 -1.33 0.00 0.00 177.39 175.46 3hwt s LEU 411 N -0.57 3.55 -0.11 2.23 2.96 0.93 -4.87 118.68 122.80 3hwt s LEU 411 Ca 0.60 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 3hwt s LEU 411 Cb -0.59 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.17 3hwt s LEU 411 CO 0.57 0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 175.43 3hwt s VAL 413 N 0.55 0.69 -0.13 0.00 1.01 -0.05 -4.96 120.40 117.50 3hwt s VAL 413 Ca -0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3hwt s VAL 413 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3hwt s VAL 413 CO 0.05 0.26 1.00 0.00 0.00 0.00 0.00 175.10 176.41 3hwt s ALA 414 N 0.82 3.46 0.00 5.51 0.00 -1.26 -0.30 121.76 129.99 3hwt s ALA 414 Ca -0.13 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3hwt s ALA 414 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3hwt s ALA 414 CO 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 175.76 175.08 3hwt n GLY 416 N 5.00 1.20 0.32 0.00 0.00 0.68 -2.07 105.19 110.33 3hwt n GLY 416 Ca 0.00 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.63 3hwt n GLY 416 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hwt h SER 417 N 4.99 0.00 0.24 1.61 4.64 -1.87 -2.26 113.55 120.89 3hwt h SER 417 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hwt h SER 417 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hwt h SER 417 CO 0.00 0.00 -0.11 0.22 -0.87 0.00 0.00 176.83 176.07 3hwt h TYR 418 N 0.00 -0.30 0.00 4.77 3.20 -1.74 -1.84 116.97 121.06 3hwt h TYR 418 Ca 0.06 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3hwt h TYR 418 Cb 0.32 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3hwt h TYR 418 CO 0.00 -0.08 -0.20 -0.09 -1.64 0.00 0.00 178.16 176.16 3hwt h ARG 419 N -0.47 0.00 0.00 1.82 2.43 -0.85 -1.53 114.38 115.79 3hwt h ARG 419 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hwt h ARG 419 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hwt h ARG 419 CO 0.05 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 179.25 3hwt n ARG 420 N -3.64 0.95 -1.69 0.20 1.74 -0.98 -4.48 116.66 108.76 3hwt n ARG 420 Ca -0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 3hwt n ARG 420 Cb 0.32 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3hwt n ARG 420 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hwt n GLY 421 N 0.73 0.39 3.80 -0.13 0.00 -0.57 -3.95 105.19 105.46 3hwt n GLY 421 Ca 0.14 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3hwt n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwt s LYS 422 N -3.45 3.90 0.29 1.61 -0.14 -0.71 -4.96 119.74 116.28 3hwt s LYS 422 Ca 0.00 1.31 0.08 0.00 -1.36 0.00 0.00 55.97 56.00 3hwt s LYS 422 Cb 0.00 -2.12 0.42 0.00 -1.68 0.00 0.00 37.83 34.46 3hwt s LYS 422 CO 0.00 -0.34 1.66 0.00 -0.76 0.00 0.00 175.35 175.92 3hwt h ALA 423 N 1.65 1.06 -2.69 5.17 0.00 -1.96 -3.44 119.26 119.04 3hwt h ALA 423 Ca -0.49 -0.48 -0.37 0.00 0.00 0.00 0.00 54.91 53.57 3hwt h ALA 423 Cb 1.21 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 3hwt h ALA 423 CO 0.59 0.66 -0.74 0.95 0.00 0.00 0.00 179.25 180.71 3hwt s THR 424 N -3.90 1.20 -0.02 0.00 -4.23 -1.26 -0.43 115.64 107.00 3hwt s THR 424 Ca -0.03 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 3hwt s THR 424 Cb 0.13 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.41 3hwt s THR 424 CO 0.77 -0.53 -0.11 0.00 -0.54 0.00 0.00 174.62 174.21 3hwt h GLY 426 N 6.16 0.35 -0.36 0.00 0.00 -1.87 -0.58 103.07 106.76 3hwt h GLY 426 Ca -0.33 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3hwt h GLY 426 CO 0.49 0.25 -0.09 2.09 0.00 0.00 0.00 176.54 179.27 3hwt n ASP 427 N -4.70 -0.14 -4.10 0.19 3.85 -1.26 -4.58 116.55 105.80 3hwt n ASP 427 Ca -0.05 -1.42 -0.31 0.00 -0.71 0.00 0.00 54.79 52.30 3hwt n ASP 427 Cb 0.24 0.33 -0.16 0.00 -1.35 0.00 0.00 41.12 40.18 3hwt n ASP 427 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hwt s VAL 428 N -2.27 1.81 -0.36 2.12 1.01 -0.95 -4.90 120.40 116.86 3hwt s VAL 428 Ca 0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3hwt s VAL 428 Cb 0.00 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hwt s VAL 428 CO 0.05 0.50 0.15 -1.81 0.00 0.00 0.00 175.10 173.99 3hwt s ASP 429 N 1.06 5.45 -0.21 3.32 1.01 -1.26 -0.87 116.67 125.17 3hwt s ASP 429 Ca -0.03 -1.18 -0.06 0.00 0.71 0.00 0.00 52.55 51.99 3hwt s ASP 429 Cb -0.14 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3hwt s ASP 429 CO -0.05 -0.37 0.03 -0.69 0.21 0.00 0.00 175.17 174.29 3hwt s VAL 430 N 1.43 4.17 -0.21 -1.27 1.01 0.40 0.84 120.40 126.77 3hwt s VAL 430 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 3hwt s VAL 430 Cb -0.20 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3hwt s VAL 430 CO 0.03 0.41 0.14 -0.22 0.00 0.00 0.00 175.10 175.46 3hwt s LEU 431 N 1.03 4.16 -0.07 3.92 0.20 0.59 -1.71 118.68 126.79 3hwt s LEU 431 Ca 0.03 0.19 0.04 0.00 0.69 0.00 0.00 54.13 55.08 3hwt s LEU 431 Cb -0.14 -2.09 -0.00 0.00 -0.43 0.00 0.00 46.19 43.53 3hwt s LEU 431 CO 0.02 0.15 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.39 3hwt s ILE 432 N 0.56 1.79 0.34 6.68 1.01 0.33 -0.87 121.20 131.04 3hwt s ILE 432 Ca 0.08 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 3hwt s ILE 432 Cb -0.12 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.83 3hwt s ILE 432 CO -0.00 0.50 0.58 0.28 0.00 0.00 0.00 174.94 176.31 3hwt s THR 433 N 0.23 0.00 -0.03 2.92 -1.32 -0.51 -0.55 115.64 116.38 3hwt s THR 433 Ca -0.12 -1.36 -0.01 0.00 -1.21 0.00 0.00 61.69 58.99 3hwt s THR 433 Cb -0.16 -2.65 0.03 0.00 -1.51 0.00 0.00 72.50 68.22 3hwt s THR 433 CO 0.06 0.00 0.04 -2.28 -2.21 0.00 0.00 174.62 170.22 3hwt s HIS 434 N -2.95 0.11 0.62 9.09 2.46 -1.26 -0.05 115.29 123.30 3hwt s HIS 434 Ca 0.24 0.15 0.32 0.00 0.47 0.00 0.00 55.06 56.24 3hwt s HIS 434 Cb -0.02 -0.38 1.84 0.00 -0.13 0.00 0.00 32.58 33.89 3hwt s HIS 434 CO 0.16 -0.14 2.15 -1.35 -2.47 0.00 0.00 174.74 173.09 3hwt h PRO 435 N 7.76 0.00 0.00 2.88 0.11 -1.98 -1.74 132.00 139.03 3hwt h PRO 435 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hwt h PRO 435 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hwt h PRO 435 CO 0.35 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.74 3hwt n ASP 436 N -3.54 0.00 -1.67 -2.05 3.85 -1.26 -4.88 116.55 106.99 3hwt n ASP 436 Ca -0.00 -1.52 -0.15 0.00 -0.71 0.00 0.00 54.79 52.40 3hwt n ASP 436 Cb 0.25 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.97 3hwt n ASP 436 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hwt n GLY 437 N 0.47 1.01 0.00 6.12 0.00 -0.65 -4.62 105.19 107.51 3hwt n GLY 437 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hwt n GLY 437 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hwt n ARG 438 N -2.21 0.00 0.00 1.61 -4.01 -1.26 -4.82 116.66 105.96 3hwt n ARG 438 Ca -0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 3hwt n ARG 438 Cb 0.53 -0.21 0.00 0.00 -3.04 0.00 0.00 32.46 29.75 3hwt n ARG 438 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3hwt n SER 439 N -0.94 0.39 -0.01 2.89 2.88 -1.26 -2.68 113.62 114.89 3hwt n SER 439 Ca 0.00 -1.17 0.03 0.00 -1.33 0.00 0.00 58.87 56.41 3hwt n SER 439 Cb 0.00 -0.20 -0.13 0.00 -0.75 0.00 0.00 64.21 63.13 3hwt n SER 439 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hwt n HIS 440 N -0.03 0.31 -1.69 0.66 1.44 -1.26 -4.86 115.22 109.79 3hwt n HIS 440 Ca 0.00 0.10 -0.43 0.00 -2.01 0.00 0.00 57.72 55.38 3hwt n HIS 440 Cb 0.10 -0.80 -0.03 0.00 0.12 0.00 0.00 29.99 29.37 3hwt n HIS 440 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3hwt n ARG 441 N -2.56 2.69 -2.85 -1.40 3.00 -1.09 -2.93 116.66 111.52 3hwt n ARG 441 Ca -0.12 0.98 -0.22 0.00 -0.01 0.00 0.00 57.85 58.47 3hwt n ARG 441 Cb 0.78 -2.85 0.02 0.00 0.00 0.00 0.00 32.46 30.41 3hwt n ARG 441 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hwt n GLY 442 N 4.13 -0.52 0.03 -0.13 0.00 -1.26 -4.89 105.19 102.55 3hwt n GLY 442 Ca 0.18 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.40 3hwt n GLY 442 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hwt n ILE 443 N -4.36 0.00 -0.29 -0.61 -6.64 -1.15 -4.19 119.36 102.12 3hwt n ILE 443 Ca -0.15 -0.02 -0.06 0.00 -1.77 0.00 0.00 62.75 60.75 3hwt n ILE 443 Cb 0.64 0.63 0.06 0.00 -1.44 0.00 0.00 39.64 39.53 3hwt n ILE 443 CO 0.00 0.00 0.00 -0.26 -1.77 0.00 0.00 176.55 174.52 3hwt h PHE 444 N 0.15 1.22 -0.57 4.28 0.04 -1.90 -1.77 116.94 118.38 3hwt h PHE 444 Ca 0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3hwt h PHE 444 Cb 0.51 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 3hwt h PHE 444 CO 0.00 0.93 0.31 1.03 -0.60 0.00 0.00 178.31 179.98 3hwt h SER 445 N 1.15 0.72 -0.18 2.17 0.87 -1.96 -1.39 113.55 114.93 3hwt h SER 445 Ca 0.26 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3hwt h SER 445 Cb 0.25 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3hwt h SER 445 CO -0.02 0.61 -0.16 0.03 -0.53 0.00 0.00 176.83 176.76 3hwt h ARG 446 N 0.77 0.42 0.24 2.24 -0.00 -1.75 -2.61 114.38 113.70 3hwt h ARG 446 Ca 0.20 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 3hwt h ARG 446 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 3hwt h ARG 446 CO -0.03 0.77 -0.12 1.25 0.00 0.00 0.00 179.97 181.84 3hwt h LEU 447 N 0.08 -0.28 -1.12 3.04 5.85 -1.27 -1.93 115.31 119.68 3hwt h LEU 447 Ca 0.03 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3hwt h LEU 447 Cb 0.69 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3hwt h LEU 447 CO 0.04 -0.07 0.47 -0.07 -0.34 0.00 0.00 178.44 178.48 3hwt h LEU 448 N -0.48 0.95 -0.57 2.25 3.38 -1.35 0.64 115.31 120.14 3hwt h LEU 448 Ca -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hwt h LEU 448 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hwt h LEU 448 CO 0.05 0.74 0.14 0.44 0.09 0.00 0.00 178.44 179.90 3hwt h ASP 449 N 1.09 0.86 0.01 -0.43 3.32 -1.42 -1.04 116.42 118.81 3hwt h ASP 449 Ca 0.28 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hwt h ASP 449 Cb -0.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3hwt h ASP 449 CO -0.05 0.86 -0.01 -1.28 -1.72 0.00 0.00 179.24 177.05 3hwt h SER 450 N 0.81 -0.01 0.15 6.45 0.87 -0.65 -0.51 113.55 120.66 3hwt h SER 450 Ca 0.18 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3hwt h SER 450 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3hwt h SER 450 CO 0.00 0.15 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.26 3hwt h LEU 451 N -0.18 0.00 -0.09 2.23 3.38 -0.79 -2.07 115.31 117.79 3hwt h LEU 451 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3hwt h LEU 451 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hwt h LEU 451 CO 0.00 0.12 -1.03 0.03 0.09 0.00 0.00 178.44 177.66 3hwt h ARG 452 N 0.00 0.40 -0.42 1.13 3.08 -0.92 -1.73 114.38 115.91 3hwt h ARG 452 Ca -0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3hwt h ARG 452 Cb 0.23 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3hwt h ARG 452 CO 0.02 1.15 0.28 1.96 -1.07 0.00 0.00 179.97 182.31 3hwt h GLN 453 N 0.20 0.56 -0.08 0.04 4.20 -0.37 -0.44 115.11 119.22 3hwt h GLN 453 Ca -0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3hwt h GLN 453 Cb 1.68 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.34 3hwt h GLN 453 CO 0.18 0.37 0.00 -0.85 -0.67 0.00 0.00 178.83 177.86 3hwt n GLU 454 N -4.47 1.68 -1.09 1.46 0.28 -1.11 -4.93 120.64 112.46 3hwt n GLU 454 Ca 0.03 -1.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.00 3hwt n GLU 454 Cb 0.06 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.47 3hwt n GLU 454 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hwt n GLY 455 N 1.15 0.60 0.08 -1.84 0.00 -0.18 -4.94 105.19 100.07 3hwt n GLY 455 Ca 0.18 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3hwt n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hwt h PHE 456 N 0.00 -0.06 -3.45 1.61 3.57 -1.53 -3.43 116.94 113.65 3hwt h PHE 456 Ca -0.06 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.91 3hwt h PHE 456 Cb 0.34 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3hwt h PHE 456 CO 0.17 0.36 0.43 -0.51 -2.23 0.00 0.00 178.31 176.54 3hwt s LEU 457 N -9.34 4.44 -0.04 0.59 1.43 -1.20 -1.81 118.68 112.75 3hwt s LEU 457 Ca -0.15 1.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.91 3hwt s LEU 457 Cb 0.02 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.52 3hwt s LEU 457 CO 0.65 -0.24 0.15 0.35 0.23 0.00 0.00 176.35 177.49 3hwt n THR 458 N 3.23 0.18 -3.58 5.49 -2.24 0.17 -4.86 114.28 112.67 3hwt n THR 458 Ca 0.05 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 3hwt n THR 458 Cb 0.48 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 3hwt n THR 458 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hwt s ASP 459 N -3.39 -0.59 -0.12 3.42 1.11 -1.19 -5.00 116.67 110.92 3hwt s ASP 459 Ca -0.04 0.72 -0.01 0.00 0.18 0.00 0.00 52.55 53.41 3hwt s ASP 459 Cb 0.05 0.64 -0.02 0.00 1.07 0.00 0.00 42.92 44.66 3hwt s ASP 459 CO 0.38 -0.51 -0.09 -1.81 1.18 0.00 0.00 175.17 174.32 3hwt s ASP 460 N -0.93 4.43 -0.18 0.27 1.01 -1.26 -0.77 116.67 119.22 3hwt s ASP 460 Ca -0.09 -0.18 -0.09 0.00 0.71 0.00 0.00 52.55 52.90 3hwt s ASP 460 Cb -0.02 -1.49 -0.08 0.00 1.01 0.00 0.00 42.92 42.34 3hwt s ASP 460 CO 0.07 0.23 -0.24 0.18 0.21 0.00 0.00 175.17 175.63 3hwt n LEU 461 N 3.10 1.28 -3.64 1.23 4.77 -0.31 -4.91 117.00 118.53 3hwt n LEU 461 Ca -0.18 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.78 3hwt n LEU 461 Cb 0.53 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 3hwt n LEU 461 CO 0.30 0.38 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.71 3hwt s VAL 462 N -2.33 -0.02 -0.37 4.08 1.01 -0.68 -4.85 120.40 117.23 3hwt s VAL 462 Ca -0.26 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3hwt s VAL 462 Cb 0.10 -0.53 0.19 0.00 0.00 0.00 0.00 36.38 36.13 3hwt s VAL 462 CO 0.32 -0.16 0.67 -0.55 0.00 0.00 0.00 175.10 175.37 3hwt s SER 463 N 2.11 -1.43 -1.46 3.32 0.15 -1.26 -0.72 113.70 114.41 3hwt s SER 463 Ca 0.02 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 3hwt s SER 463 Cb -0.15 1.84 0.02 0.00 -1.71 0.00 0.00 66.02 66.02 3hwt s SER 463 CO -0.08 -0.19 2.32 1.67 1.20 0.00 0.00 173.24 178.17 3hwt n GLN 464 N 4.60 2.92 0.00 5.44 7.27 -1.26 -4.74 117.38 131.61 3hwt n GLN 464 Ca 0.09 -2.52 0.08 0.00 0.07 0.00 0.00 57.00 54.72 3hwt n GLN 464 Cb 0.57 -3.21 0.39 0.00 2.41 0.00 0.00 30.24 30.40 3hwt n GLN 464 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3hwt n GLU 465 N 5.77 0.12 0.18 3.69 1.02 -1.26 -1.87 120.64 128.29 3hwt n GLU 465 Ca 0.56 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.98 3hwt n GLU 465 Cb 0.37 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.39 3hwt n GLU 465 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3hwt h GLU 466 N 0.00 0.00 -5.64 3.49 3.07 -2.05 -3.43 114.58 110.02 3hwt h GLU 466 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3hwt h GLU 466 Cb 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.04 3hwt h GLU 466 CO 0.00 0.04 -0.07 1.21 -1.40 0.00 0.00 179.01 178.79 3hwt s ASN 467 N -5.97 6.63 0.05 1.42 3.84 -0.78 -4.94 114.94 115.18 3hwt s ASN 467 Ca 0.04 0.75 0.27 0.00 0.21 0.00 0.00 52.86 54.13 3hwt s ASN 467 Cb 0.07 -2.29 1.08 0.00 -0.55 0.00 0.00 41.25 39.55 3hwt s ASN 467 CO 0.71 -0.10 1.84 0.61 -2.79 0.00 0.00 177.10 177.37 3hwt n GLY 468 N 3.61 -1.48 1.99 1.21 0.00 -1.26 -2.89 105.19 106.37 3hwt n GLY 468 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 3hwt n GLY 468 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwt n GLN 469 N -1.68 4.06 -1.67 1.61 0.00 -1.26 -4.19 117.38 114.25 3hwt n GLN 469 Ca 0.06 -3.12 -0.46 0.00 0.00 0.00 0.00 57.00 53.48 3hwt n GLN 469 Cb 0.34 -2.24 -0.04 0.00 0.00 0.00 0.00 30.24 28.30 3hwt n GLN 469 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3hwt n GLN 470 N 0.05 2.13 -0.09 2.61 7.27 -1.14 -4.91 117.38 123.31 3hwt n GLN 470 Ca 0.38 0.77 -0.10 0.00 0.07 0.00 0.00 57.00 58.12 3hwt n GLN 470 Cb 1.35 -2.51 -0.13 0.00 2.41 0.00 0.00 30.24 31.37 3hwt n GLN 470 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hwt n GLN 471 N 3.07 1.04 -4.22 3.69 6.02 -1.26 -4.82 117.38 120.90 3hwt n GLN 471 Ca 0.16 0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 57.04 3hwt n GLN 471 Cb 0.30 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.02 3hwt n GLN 471 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hwt s LYS 472 N -2.42 0.96 -0.11 -1.09 -2.85 -1.26 -2.09 119.74 110.88 3hwt s LYS 472 Ca -0.14 -1.39 -0.01 0.00 -1.00 0.00 0.00 55.97 53.43 3hwt s LYS 472 Cb 0.06 -0.46 0.04 0.00 -2.06 0.00 0.00 37.83 35.40 3hwt s LYS 472 CO 0.65 0.04 -0.01 -0.47 0.10 0.00 0.00 175.35 175.66 3hwt s TYR 473 N -3.38 0.99 -0.19 1.78 5.04 0.15 -4.55 117.35 117.20 3hwt s TYR 473 Ca 0.14 -0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 54.24 3hwt s TYR 473 Cb 0.03 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.36 3hwt s TYR 473 CO -0.01 -0.45 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.15 3hwt s LEU 474 N 1.87 2.76 0.00 6.97 1.43 0.10 -0.52 118.68 131.29 3hwt s LEU 474 Ca 0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3hwt s LEU 474 Cb -0.14 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3hwt s LEU 474 CO -0.07 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3hwt n GLY 475 N 4.33 3.18 3.06 -3.19 0.00 0.03 -1.16 105.19 111.44 3hwt n GLY 475 Ca -0.18 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 3hwt n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwt s VAL 476 N -2.62 0.93 0.24 1.61 1.01 0.05 -1.18 120.40 120.44 3hwt s VAL 476 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hwt s VAL 476 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3hwt s VAL 476 CO 0.00 0.27 0.13 0.00 0.00 0.00 0.00 175.10 175.50 3hwt s ARG 478 N -4.03 0.50 0.69 0.00 3.52 -0.75 -0.30 118.95 118.58 3hwt s ARG 478 Ca 0.38 1.16 -0.14 0.00 -0.13 0.00 0.00 55.73 57.01 3hwt s ARG 478 Cb 0.07 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 3hwt s ARG 478 CO 0.14 -0.20 1.10 -0.51 -0.81 0.00 0.00 175.30 175.02 3hwt s LEU 479 N 2.26 3.28 0.87 -0.88 1.43 -1.26 -4.70 118.68 119.68 3hwt s LEU 479 Ca -0.06 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 3hwt s LEU 479 Cb -0.10 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.70 3hwt s LEU 479 CO -0.16 -1.70 1.09 -2.84 0.23 0.00 0.00 176.35 172.97 3hwt s PRO 480 N -4.38 1.42 0.00 1.29 0.02 -1.26 -4.84 135.00 127.25 3hwt s PRO 480 Ca 0.64 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.62 3hwt s PRO 480 Cb -0.19 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3hwt s PRO 480 CO 0.46 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.38 3hwt n GLY 481 N -1.00 0.00 3.88 0.52 0.00 -1.26 -4.91 105.19 102.42 3hwt n GLY 481 Ca 0.08 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3hwt n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hwt s PRO 482 N -1.54 3.23 -0.62 1.61 0.04 -1.26 -4.16 135.00 132.30 3hwt s PRO 482 Ca 0.00 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.61 3hwt s PRO 482 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3hwt s PRO 482 CO 0.00 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.67 3hwt n GLY 483 N -2.85 0.77 3.86 0.56 0.00 -1.26 -5.01 105.19 101.27 3hwt n GLY 483 Ca 0.06 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 3hwt n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwt s ARG 484 N -2.05 3.72 0.23 1.61 1.81 -1.26 -5.10 118.95 117.91 3hwt s ARG 484 Ca 0.00 0.15 0.08 0.00 -1.72 0.00 0.00 55.73 54.24 3hwt s ARG 484 Cb 0.00 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.33 3hwt s ARG 484 CO 0.00 0.66 0.06 1.03 -0.68 0.00 0.00 175.30 176.37 3hwt s ARG 485 N -1.44 2.52 0.18 3.54 1.81 -1.26 -5.02 118.95 119.28 3hwt s ARG 485 Ca 0.25 -1.20 -0.30 0.00 -1.72 0.00 0.00 55.73 52.76 3hwt s ARG 485 Cb -0.14 -2.35 -0.08 0.00 -0.45 0.00 0.00 34.95 31.93 3hwt s ARG 485 CO 0.14 0.41 1.16 -1.01 -0.68 0.00 0.00 175.30 175.31 3hwt s HIS 486 N -2.07 3.49 0.09 -0.53 3.76 -1.26 -4.63 115.29 114.14 3hwt s HIS 486 Ca 0.31 1.49 0.09 0.00 -0.15 0.00 0.00 55.06 56.79 3hwt s HIS 486 Cb -0.08 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 3hwt s HIS 486 CO 0.21 -0.97 -0.23 1.03 -0.85 0.00 0.00 174.74 173.92 3hwt s ARG 487 N -0.25 1.36 0.25 1.40 1.81 0.60 -4.70 118.95 119.42 3hwt s ARG 487 Ca 0.52 -1.14 -0.28 0.00 -1.72 0.00 0.00 55.73 53.11 3hwt s ARG 487 Cb -0.31 -1.63 -0.09 0.00 -0.45 0.00 0.00 34.95 32.47 3hwt s ARG 487 CO 0.36 0.40 0.90 1.03 -0.68 0.00 0.00 175.30 177.31 3hwt s ARG 488 N -1.66 4.70 -0.05 3.54 0.52 -1.26 -0.57 118.95 124.17 3hwt s ARG 488 Ca 0.09 1.36 0.02 0.00 -0.52 0.00 0.00 55.73 56.68 3hwt s ARG 488 Cb -0.10 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.27 3hwt s ARG 488 CO 0.04 0.45 -0.10 -1.17 0.02 0.00 0.00 175.30 174.54 3hwt s LEU 489 N -1.47 1.60 -0.19 2.53 2.96 -0.32 -2.23 118.68 121.55 3hwt s LEU 489 Ca 0.43 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3hwt s LEU 489 Cb -0.23 -0.67 0.04 0.00 0.50 0.00 0.00 46.19 45.83 3hwt s LEU 489 CO 0.28 0.02 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.62 3hwt s ASP 490 N 0.61 3.24 -0.06 3.68 -1.08 -0.05 -0.79 116.67 122.22 3hwt s ASP 490 Ca -0.11 -0.83 0.05 0.00 -0.52 0.00 0.00 52.55 51.14 3hwt s ASP 490 Cb -0.14 -1.14 -0.01 0.00 -1.46 0.00 0.00 42.92 40.18 3hwt s ASP 490 CO 0.02 -0.16 -0.23 -0.63 0.52 0.00 0.00 175.17 174.70 3hwt s ILE 491 N 1.47 1.89 -0.03 4.11 1.01 0.32 -0.45 121.20 129.52 3hwt s ILE 491 Ca -0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3hwt s ILE 491 Cb -0.16 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3hwt s ILE 491 CO -0.08 0.53 -0.16 0.27 0.00 0.00 0.00 174.94 175.49 3hwt s ILE 492 N 0.02 1.33 -0.19 2.92 -4.36 -0.70 0.33 121.20 120.56 3hwt s ILE 492 Ca -0.07 -0.69 -0.03 0.00 -0.26 0.00 0.00 60.65 59.60 3hwt s ILE 492 Cb -0.14 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 3hwt s ILE 492 CO 0.05 0.38 -0.07 -0.69 0.24 0.00 0.00 174.94 174.85 3hwt s VAL 493 N -0.17 3.28 0.17 8.37 1.01 -0.89 -0.51 120.40 131.65 3hwt s VAL 493 Ca 0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3hwt s VAL 493 Cb -0.09 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3hwt s VAL 493 CO 0.01 0.46 -0.16 0.68 0.00 0.00 0.00 175.10 176.09 3hwt s VAL 494 N 1.07 1.64 0.26 2.92 -7.23 0.29 -4.80 120.40 114.55 3hwt s VAL 494 Ca 0.01 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.92 3hwt s VAL 494 Cb -0.15 -1.82 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 3hwt s VAL 494 CO -0.01 -0.45 1.15 -2.84 -0.31 0.00 0.00 175.10 172.64 3hwt s PRO 495 N -3.07 4.57 0.47 4.82 0.02 -1.26 -4.35 135.00 136.20 3hwt s PRO 495 Ca 0.16 1.86 0.24 0.00 0.02 0.00 0.00 61.00 63.29 3hwt s PRO 495 Cb -0.04 -3.19 1.27 0.00 0.02 0.00 0.00 34.50 32.57 3hwt s PRO 495 CO 0.05 0.09 1.85 -0.92 -0.33 0.00 0.00 177.00 177.75 3hwt h TYR 496 N 4.15 0.31 0.00 6.54 3.20 -1.88 0.21 116.97 129.51 3hwt h TYR 496 Ca -0.46 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3hwt h TYR 496 Cb 1.21 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3hwt h TYR 496 CO 0.59 0.06 0.00 0.66 -1.64 0.00 0.00 178.16 177.84 3hwt h SER 497 N 0.22 0.00 -0.17 -2.11 4.64 -1.91 -1.44 113.55 112.78 3hwt h SER 497 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3hwt h SER 497 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3hwt h SER 497 CO -0.12 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.22 3hwt n GLU 498 N -2.93 1.66 -0.22 4.77 1.02 0.72 -4.70 120.64 120.96 3hwt n GLU 498 Ca -0.01 -1.68 0.01 0.00 -0.02 0.00 0.00 57.16 55.45 3hwt n GLU 498 Cb 0.15 -1.31 0.08 0.00 -0.02 0.00 0.00 31.44 30.34 3hwt n GLU 498 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3hwt h PHE 499 N 2.90 -0.27 0.08 -0.32 3.57 -1.03 0.93 116.94 122.80 3hwt h PHE 499 Ca 0.00 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hwt h PHE 499 Cb 0.69 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3hwt h PHE 499 CO 0.10 -0.26 -0.04 0.00 -2.23 0.00 0.00 178.31 175.88 3hwt h ALA 500 N 1.65 -0.11 -0.47 2.41 0.00 -1.79 0.38 119.26 121.33 3hwt h ALA 500 Ca 0.33 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3hwt h ALA 500 Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hwt h ALA 500 CO -0.65 -0.56 -0.09 0.00 0.00 0.00 0.00 179.25 177.95 3hwt h ALA 502 N 1.14 0.65 -0.36 0.00 0.00 -0.47 -0.70 119.26 119.52 3hwt h ALA 502 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hwt h ALA 502 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hwt h ALA 502 CO 0.04 0.42 0.14 1.25 0.00 0.00 0.00 179.25 181.10 3hwt h LEU 503 N 0.70 0.51 -0.13 0.00 5.85 -0.81 0.80 115.31 122.23 3hwt h LEU 503 Ca 0.14 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3hwt h LEU 503 Cb 0.46 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hwt h LEU 503 CO 0.02 0.55 0.06 0.25 -0.34 0.00 0.00 178.44 178.98 3hwt h LEU 504 N 0.44 0.10 0.48 2.25 5.85 -1.19 0.11 115.31 123.35 3hwt h LEU 504 Ca 0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hwt h LEU 504 Cb 0.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hwt h LEU 504 CO -0.01 0.08 -0.23 0.22 -0.34 0.00 0.00 178.44 178.16 3hwt h TYR 505 N 0.14 -0.60 0.00 1.25 3.20 -0.96 -2.63 116.97 117.37 3hwt h TYR 505 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hwt h TYR 505 Cb 0.01 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3hwt h TYR 505 CO -0.09 -0.36 0.00 0.35 -1.64 0.00 0.00 178.16 176.42 3hwt h PHE 506 N -0.67 0.00 0.16 -3.82 -0.00 -0.74 -2.50 116.94 109.36 3hwt h PHE 506 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.59 3hwt h PHE 506 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.47 3hwt h PHE 506 CO -0.04 0.00 -1.50 1.15 -0.00 0.00 0.00 178.31 177.92 3hwt h THR 507 N 0.00 1.22 0.00 4.41 2.02 -0.82 0.20 112.91 119.93 3hwt h THR 507 Ca 0.00 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.39 3hwt h THR 507 Cb 0.27 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 3hwt h THR 507 CO 0.00 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.34 3hwt n GLY 508 N 1.68 0.62 3.60 2.16 0.00 -0.95 -3.90 105.19 108.41 3hwt n GLY 508 Ca -0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 3hwt n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hwt s SER 509 N -4.00 1.31 0.19 1.61 1.04 -0.44 -4.75 113.70 108.67 3hwt s SER 509 Ca 0.00 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.17 3hwt s SER 509 Cb 0.00 -1.28 0.14 0.00 0.10 0.00 0.00 66.02 64.98 3hwt s SER 509 CO 0.00 -3.90 1.82 0.00 0.98 0.00 0.00 173.24 172.14 3hwt h ALA 510 N -2.43 0.76 -0.59 5.32 0.00 -1.90 0.29 119.26 120.72 3hwt h ALA 510 Ca -0.49 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3hwt h ALA 510 Cb 1.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hwt h ALA 510 CO 0.42 0.08 0.15 1.25 0.00 0.00 0.00 179.25 181.16 3hwt h HIS 511 N 0.70 0.98 -0.54 0.00 -0.00 -1.94 -1.62 115.15 112.72 3hwt h HIS 511 Ca 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3hwt h HIS 511 Cb 0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 3hwt h HIS 511 CO -0.06 0.83 0.31 0.35 -0.00 0.00 0.00 177.93 179.36 3hwt h PHE 512 N 0.85 0.73 0.04 5.26 3.04 -1.52 -1.79 116.94 123.55 3hwt h PHE 512 Ca 0.19 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 3hwt h PHE 512 Cb 0.34 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 3hwt h PHE 512 CO 0.02 0.53 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.90 3hwt h ASN 513 N 0.73 -0.07 -0.51 0.41 2.35 -0.21 -0.90 115.58 117.38 3hwt h ASN 513 Ca 0.19 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3hwt h ASN 513 Cb 0.02 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3hwt h ASN 513 CO -0.03 -0.05 0.34 0.03 -1.65 0.00 0.00 177.43 176.07 3hwt h ARG 514 N -0.07 0.62 -0.18 0.81 3.08 -1.10 0.79 114.38 118.34 3hwt h ARG 514 Ca -0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3hwt h ARG 514 Cb 0.06 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.98 3hwt h ARG 514 CO 0.00 0.41 -0.64 0.77 -1.07 0.00 0.00 179.97 179.44 3hwt h SER 515 N 0.64 0.87 -0.49 7.04 0.02 -1.05 -1.33 113.55 119.26 3hwt h SER 515 Ca 0.20 -0.60 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 3hwt h SER 515 Cb 0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3hwt h SER 515 CO -0.05 1.33 -0.11 -0.03 -1.14 0.00 0.00 176.83 176.84 3hwt h MET 516 N 0.47 0.94 -0.21 3.45 1.85 -0.62 -1.42 114.93 119.38 3hwt h MET 516 Ca -0.03 -0.35 -0.11 0.00 -0.61 0.00 0.00 59.70 58.59 3hwt h MET 516 Cb 1.27 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 3hwt h MET 516 CO 0.14 1.02 -0.35 0.00 -0.40 0.00 0.00 176.91 177.31 3hwt h ARG 517 N 0.80 0.45 -0.72 0.39 3.08 -0.88 -1.96 114.38 115.54 3hwt h ARG 517 Ca 0.13 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3hwt h ARG 517 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 3hwt h ARG 517 CO 0.05 0.74 0.21 0.00 -1.07 0.00 0.00 179.97 179.91 3hwt h ALA 518 N 1.24 1.02 0.38 0.04 0.00 -0.97 -1.01 119.26 119.96 3hwt h ALA 518 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hwt h ALA 518 Cb 0.80 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hwt h ALA 518 CO 0.06 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 181.04 3hwt h LEU 519 N 1.08 -0.43 -1.19 0.00 5.85 -0.95 -2.06 115.31 117.60 3hwt h LEU 519 Ca 0.23 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.12 3hwt h LEU 519 Cb 0.32 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3hwt h LEU 519 CO -0.01 -0.23 0.62 0.00 -0.34 0.00 0.00 178.44 178.48 3hwt h ALA 520 N -0.01 1.90 -0.40 1.25 0.00 -1.13 0.19 119.26 121.06 3hwt h ALA 520 Ca -0.05 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hwt h ALA 520 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hwt h ALA 520 CO 0.09 -0.26 -0.00 -0.22 0.00 0.00 0.00 179.25 178.85 3hwt h LYS 521 N 0.61 0.64 0.00 0.00 3.64 -0.70 0.24 116.57 121.00 3hwt h LYS 521 Ca 0.56 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3hwt h LYS 521 Cb 1.07 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3hwt h LYS 521 CO -0.32 0.66 0.00 1.79 -2.27 0.00 0.00 179.45 179.31 3hwt h THR 522 N 0.61 0.00 -0.61 1.00 1.35 0.05 -2.43 112.91 112.88 3hwt h THR 522 Ca 0.12 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3hwt h THR 522 Cb 0.39 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3hwt h THR 522 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 3hwt n LYS 523 N -2.66 4.06 -1.74 4.72 5.02 -0.61 -4.91 118.16 122.04 3hwt n LYS 523 Ca 0.02 -2.97 -0.13 0.00 -2.02 0.00 0.00 58.31 53.20 3hwt n LYS 523 Cb 0.28 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 33.25 3hwt n LYS 523 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hwt n GLY 524 N 0.89 0.76 3.77 0.72 0.00 -0.91 -4.84 105.19 105.57 3hwt n GLY 524 Ca 0.26 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3hwt n GLY 524 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hwt n MET 525 N -2.48 0.71 -3.70 1.61 2.00 0.73 -1.00 117.12 114.99 3hwt n MET 525 Ca -0.14 -3.67 -0.12 0.00 0.00 0.00 0.00 57.70 53.77 3hwt n MET 525 Cb 0.51 0.76 -0.10 0.00 0.00 0.00 0.00 33.22 34.40 3hwt n MET 525 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3hwt s SER 526 N -4.01 -0.53 -0.09 7.83 0.15 -0.33 -3.41 113.70 113.30 3hwt s SER 526 Ca 0.12 0.98 0.02 0.00 0.70 0.00 0.00 55.95 57.77 3hwt s SER 526 Cb -0.01 0.94 0.01 0.00 -1.71 0.00 0.00 66.02 65.25 3hwt s SER 526 CO 0.08 -0.18 -0.15 -0.22 1.20 0.00 0.00 173.24 173.96 3hwt s LEU 527 N 0.70 1.74 0.00 3.45 2.96 -1.26 -0.08 118.68 126.20 3hwt s LEU 527 Ca -0.04 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3hwt s LEU 527 Cb -0.05 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3hwt s LEU 527 CO -0.05 0.04 0.07 -1.54 -1.32 0.00 0.00 176.35 173.55 3hwt n SER 528 N 4.00 0.66 0.04 3.68 3.41 -0.73 -4.89 113.62 119.79 3hwt n SER 528 Ca -0.20 -1.84 0.13 0.00 -0.26 0.00 0.00 58.87 56.70 3hwt n SER 528 Cb 0.52 0.47 0.51 0.00 -0.26 0.00 0.00 64.21 65.45 3hwt n SER 528 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hwt n GLU 529 N -0.32 0.09 -0.04 4.33 0.00 -1.26 -3.57 120.64 119.86 3hwt n GLU 529 Ca -0.01 0.12 -0.22 0.00 0.00 0.00 0.00 57.16 57.06 3hwt n GLU 529 Cb 0.23 -1.61 -0.13 0.00 0.00 0.00 0.00 31.44 29.94 3hwt n GLU 529 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hwt n HIS 530 N -1.76 1.15 -3.65 -1.84 8.25 -1.26 -2.42 115.22 113.68 3hwt n HIS 530 Ca 0.06 0.34 -0.00 0.00 -0.26 0.00 0.00 57.72 57.86 3hwt n HIS 530 Cb 0.33 -1.14 -0.01 0.00 1.12 0.00 0.00 29.99 30.30 3hwt n HIS 530 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hwt s ALA 531 N -2.47 -2.07 -0.19 -1.41 0.00 -1.23 -4.64 121.76 109.75 3hwt s ALA 531 Ca -0.25 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.22 3hwt s ALA 531 Cb 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3hwt s ALA 531 CO 0.69 -1.02 0.07 -1.17 0.00 0.00 0.00 175.76 174.33 3hwt s LEU 532 N -2.93 3.82 0.17 0.00 2.96 -1.26 -1.78 118.68 119.66 3hwt s LEU 532 Ca 0.13 0.06 0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3hwt s LEU 532 Cb 0.03 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3hwt s LEU 532 CO -0.02 0.14 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.50 3hwt s SER 533 N 0.56 3.00 0.29 3.68 0.01 0.89 -0.71 113.70 121.41 3hwt s SER 533 Ca 0.04 -0.83 0.07 0.00 1.31 0.00 0.00 55.95 56.53 3hwt s SER 533 Cb -0.13 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 3hwt s SER 533 CO 0.01 0.05 -0.05 0.28 0.41 0.00 0.00 173.24 173.94 3hwt s THR 534 N -1.71 1.69 -1.31 1.44 -1.32 0.92 -1.18 115.64 114.16 3hwt s THR 534 Ca 0.16 -2.12 -0.06 0.00 -1.21 0.00 0.00 61.69 58.46 3hwt s THR 534 Cb -0.07 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 3hwt s THR 534 CO 0.08 -0.27 0.73 0.00 -2.21 0.00 0.00 174.62 172.95 3hwt n ALA 535 N -0.62 -0.97 -2.27 11.08 0.00 -1.03 -0.23 120.51 126.47 3hwt n ALA 535 Ca -0.05 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 3hwt n ALA 535 Cb 0.64 -4.04 -0.04 0.00 0.00 0.00 0.00 19.45 16.00 3hwt n ALA 535 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hwt s VAL 536 N -3.17 4.46 -0.23 0.00 1.01 -0.17 -3.93 120.40 118.36 3hwt s VAL 536 Ca 0.36 2.03 -0.10 0.00 0.00 0.00 0.00 61.98 64.27 3hwt s VAL 536 Cb -0.16 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3hwt s VAL 536 CO 0.45 0.31 0.14 -0.69 0.00 0.00 0.00 175.10 175.31 3hwt s VAL 537 N 0.03 5.30 0.12 2.92 1.01 -1.05 -4.76 120.40 123.98 3hwt s VAL 537 Ca 0.47 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.67 3hwt s VAL 537 Cb -0.24 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3hwt s VAL 537 CO 0.30 0.38 -0.14 -0.13 0.00 0.00 0.00 175.10 175.51 3hwt s ARG 538 N 0.86 1.03 0.22 2.72 0.52 -1.26 0.86 118.95 123.90 3hwt s ARG 538 Ca 0.07 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 54.01 3hwt s ARG 538 Cb -0.13 -0.92 0.05 0.00 0.52 0.00 0.00 34.95 34.47 3hwt s ARG 538 CO 0.03 0.18 0.30 0.27 0.02 0.00 0.00 175.30 176.09 3hwt n ASN 539 N 0.51 0.21 0.09 0.23 0.23 0.32 -4.86 115.26 111.98 3hwt n ASN 539 Ca -0.15 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 3hwt n ASN 539 Cb 0.57 -0.21 0.32 0.00 -2.08 0.00 0.00 39.78 38.38 3hwt n ASN 539 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3hwt h THR 540 N -0.77 1.22 0.00 5.53 2.02 -2.02 -2.11 112.91 116.78 3hwt h THR 540 Ca -0.10 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3hwt h THR 540 Cb 0.31 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3hwt h THR 540 CO 0.09 0.31 0.00 1.41 0.37 0.00 0.00 175.52 177.70 3hwt n HIS 541 N -4.20 0.15 -0.30 3.16 8.25 -1.26 -4.86 115.22 116.17 3hwt n HIS 541 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3hwt n HIS 541 Cb 0.33 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.85 3hwt n HIS 541 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwt n GLY 542 N 0.23 0.68 3.82 -1.41 0.00 -0.79 -5.06 105.19 102.65 3hwt n GLY 542 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3hwt n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwt s ALA 543 N -2.51 3.19 0.14 4.61 0.00 -1.26 -4.76 121.76 121.16 3hwt s ALA 543 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3hwt s ALA 543 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 3hwt s ALA 543 CO 0.00 0.22 1.06 0.21 0.00 0.00 0.00 175.76 177.25 3hwt s LYS 544 N -2.85 4.61 -0.03 0.00 2.20 -1.26 -0.52 119.74 121.89 3hwt s LYS 544 Ca 0.56 1.63 0.01 0.00 -0.36 0.00 0.00 55.97 57.82 3hwt s LYS 544 Cb -0.11 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3hwt s LYS 544 CO 0.17 0.08 -0.01 1.55 -0.36 0.00 0.00 175.35 176.78 3hwt n VAL 545 N 2.70 0.17 -4.90 4.02 3.14 0.25 -4.89 118.33 118.83 3hwt n VAL 545 Ca 0.03 -0.09 -0.31 0.00 -2.96 0.00 0.00 64.34 61.02 3hwt n VAL 545 Cb 0.47 -0.78 -0.14 0.00 -1.06 0.00 0.00 33.84 32.33 3hwt n VAL 545 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3hwt s GLY 546 N -3.76 1.44 0.16 7.55 0.00 -0.02 -4.96 107.32 107.74 3hwt s GLY 546 Ca -0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 3hwt s GLY 546 CO 0.09 -1.06 1.41 -0.56 0.00 0.00 0.00 173.10 172.98 3hwt h PRO 547 N 4.88 0.51 0.00 2.90 0.13 -1.89 -2.78 132.00 135.76 3hwt h PRO 547 Ca -0.46 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 3hwt h PRO 547 Cb 1.14 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hwt h PRO 547 CO 0.46 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 3hwt n GLY 548 N 0.56 -1.65 3.38 1.56 0.00 -1.25 -4.68 105.19 103.10 3hwt n GLY 548 Ca -0.05 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3hwt n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwt s ARG 549 N 0.00 2.08 0.05 1.61 0.52 0.68 -4.92 118.95 118.98 3hwt s ARG 549 Ca 0.00 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 3hwt s ARG 549 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 3hwt s ARG 549 CO 0.00 0.55 0.99 0.08 0.02 0.00 0.00 175.30 176.95 3hwt s VAL 550 N -0.75 4.66 0.13 3.52 1.01 -1.26 -0.06 120.40 127.64 3hwt s VAL 550 Ca 0.12 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.08 3hwt s VAL 550 Cb -0.10 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3hwt s VAL 550 CO 0.01 0.21 0.33 -0.76 0.00 0.00 0.00 175.10 174.90 3hwt s LEU 551 N 0.62 4.29 -0.02 3.92 1.43 0.11 -4.92 118.68 124.10 3hwt s LEU 551 Ca 0.51 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 3hwt s LEU 551 Cb -0.23 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 3hwt s LEU 551 CO 0.29 0.07 1.27 -2.16 0.23 0.00 0.00 176.35 176.05 3hwt s PRO 552 N -2.70 4.34 -0.45 1.29 0.04 -1.26 -4.60 135.00 131.66 3hwt s PRO 552 Ca 0.39 1.78 0.04 0.00 0.04 0.00 0.00 61.00 63.25 3hwt s PRO 552 Cb -0.12 -3.54 0.17 0.00 0.04 0.00 0.00 34.50 31.05 3hwt s PRO 552 CO 0.26 -0.47 0.37 0.25 0.04 0.00 0.00 177.00 177.45 3hwt n THR 553 N 4.56 -0.84 -0.20 1.26 -2.24 -1.26 -4.91 114.28 110.64 3hwt n THR 553 Ca 0.11 -3.63 -0.02 0.00 -2.27 0.00 0.00 64.05 58.25 3hwt n THR 553 Cb 0.45 -1.73 0.19 0.00 -2.10 0.00 0.00 70.33 67.14 3hwt n THR 553 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hwt h PRO 554 N 5.54 0.98 -4.91 -0.78 0.11 -1.93 -3.40 132.00 127.61 3hwt h PRO 554 Ca 0.25 -0.13 -0.31 0.00 0.11 0.00 0.00 66.00 65.92 3hwt h PRO 554 Cb 0.89 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 31.67 3hwt h PRO 554 CO 0.42 0.75 -0.67 0.95 -0.21 0.00 0.00 178.00 179.23 3hwt s THR 555 N -5.57 0.86 0.31 -1.15 -4.23 -1.26 -4.50 115.64 100.09 3hwt s THR 555 Ca -0.11 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3hwt s THR 555 Cb 0.17 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 72.20 3hwt s THR 555 CO 0.80 -0.52 1.93 -0.33 -0.54 0.00 0.00 174.62 175.96 3hwt h GLU 556 N 2.68 0.97 -0.99 3.99 5.08 -1.87 -0.88 114.58 123.55 3hwt h GLU 556 Ca -0.37 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3hwt h GLU 556 Cb 1.20 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 3hwt h GLU 556 CO 0.63 0.64 0.64 0.87 -1.00 0.00 0.00 179.01 180.79 3hwt h LYS 557 N 1.00 1.05 -0.87 2.33 1.57 -1.97 -0.21 116.57 119.47 3hwt h LYS 557 Ca 0.36 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3hwt h LYS 557 Cb 0.15 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3hwt h LYS 557 CO -0.12 0.69 0.57 -0.44 -0.57 0.00 0.00 179.45 179.58 3hwt h ASP 558 N 1.08 0.93 -0.14 0.86 3.32 -1.55 -0.72 116.42 120.20 3hwt h ASP 558 Ca 0.45 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 3hwt h ASP 558 Cb 0.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hwt h ASP 558 CO -0.21 0.64 0.03 0.58 -1.72 0.00 0.00 179.24 178.56 3hwt h VAL 559 N 1.08 1.21 -0.62 -1.35 2.07 -0.93 -1.15 116.25 116.55 3hwt h VAL 559 Ca 0.35 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3hwt h VAL 559 Cb 0.04 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3hwt h VAL 559 CO -0.11 0.20 0.40 -0.26 0.02 0.00 0.00 177.57 177.83 3hwt h PHE 560 N 0.02 0.77 0.09 1.57 -1.00 -0.97 -2.64 116.94 114.78 3hwt h PHE 560 Ca 0.04 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.85 3hwt h PHE 560 Cb 0.28 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 3hwt h PHE 560 CO 0.01 0.47 -0.10 -0.09 -1.61 0.00 0.00 178.31 177.00 3hwt h ARG 561 N 0.82 -0.20 0.00 1.51 9.65 -1.03 0.32 114.38 125.44 3hwt h ARG 561 Ca 0.23 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 3hwt h ARG 561 Cb -0.07 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3hwt h ARG 561 CO -0.06 -0.14 0.00 -0.07 2.80 0.00 0.00 179.97 182.50 3hwt h LEU 562 N -0.21 0.00 -1.96 3.80 3.38 -1.09 0.12 115.31 119.35 3hwt h LEU 562 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hwt h LEU 562 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hwt h LEU 562 CO -0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.67 3hwt n LEU 563 N -2.94 2.98 -1.45 1.67 4.77 -0.31 -4.95 117.00 116.77 3hwt n LEU 563 Ca -0.01 -1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 54.71 3hwt n LEU 563 Cb 0.15 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3hwt n LEU 563 CO 0.21 0.56 -0.16 0.61 -1.33 0.00 0.00 177.39 177.28 3hwt n GLY 564 N 1.39 -0.06 3.48 -0.72 0.00 0.43 -5.01 105.19 104.70 3hwt n GLY 564 Ca 0.17 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3hwt n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwt s LEU 565 N -3.69 2.70 0.26 0.99 1.43 -0.05 -5.01 118.68 115.31 3hwt s LEU 565 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3hwt s LEU 565 Cb 0.00 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 3hwt s LEU 565 CO 0.00 0.27 1.25 -2.16 0.23 0.00 0.00 176.35 175.94 3hwt s PRO 566 N -1.34 4.44 0.38 1.29 0.04 -1.26 -3.90 135.00 134.65 3hwt s PRO 566 Ca 0.15 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 3hwt s PRO 566 Cb -0.11 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.17 3hwt s PRO 566 CO 0.05 -0.11 1.35 0.98 0.04 0.00 0.00 177.00 179.31 3hwt n TYR 567 N 1.64 2.47 -4.35 0.56 4.19 -1.26 -5.00 117.16 115.41 3hwt n TYR 567 Ca 0.02 0.50 -0.28 0.00 3.31 0.00 0.00 57.90 61.45 3hwt n TYR 567 Cb 0.43 -2.44 -0.17 0.00 0.49 0.00 0.00 39.34 37.65 3hwt n TYR 567 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hwt s ARG 568 N -2.06 2.13 0.79 2.98 0.52 -1.26 -5.13 118.95 116.92 3hwt s ARG 568 Ca 0.57 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 3hwt s ARG 568 Cb -0.52 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.16 3hwt s ARG 568 CO 0.61 -0.10 1.14 -1.83 0.02 0.00 0.00 175.30 175.15 3hwt s GLU 569 N 1.10 1.90 0.24 3.54 4.04 -1.26 -4.84 118.70 123.43 3hwt s GLU 569 Ca -0.04 1.48 -0.06 0.00 0.04 0.00 0.00 54.97 56.39 3hwt s GLU 569 Cb -0.14 -1.83 0.45 0.00 0.02 0.00 0.00 34.13 32.62 3hwt s GLU 569 CO -0.03 -1.96 1.65 -1.35 -1.84 0.00 0.00 175.26 171.73 3hwt h PRO 570 N -0.99 0.15 0.00 -4.83 0.11 -1.94 0.42 132.00 124.93 3hwt h PRO 570 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hwt h PRO 570 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hwt h PRO 570 CO 0.48 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3hwt h ALA 571 N 1.67 1.00 -0.11 -0.75 0.00 -1.79 0.34 119.26 119.63 3hwt h ALA 571 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3hwt h ALA 571 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hwt h ALA 571 CO -0.60 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.04 3hwt n GLU 572 N -2.40 1.75 -0.29 0.00 1.02 0.15 -3.78 120.64 117.10 3hwt n GLU 572 Ca -0.01 -1.12 0.09 0.00 -0.02 0.00 0.00 57.16 56.11 3hwt n GLU 572 Cb 0.11 -1.44 0.21 0.00 -0.02 0.00 0.00 31.44 30.30 3hwt n GLU 572 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hwt n ARG 573 N 0.34 2.23 -1.86 3.49 1.74 0.11 -4.85 116.66 117.87 3hwt n ARG 573 Ca 0.17 -2.73 -0.41 0.00 -0.77 0.00 0.00 57.85 54.12 3hwt n ARG 573 Cb 0.36 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 3hwt n ARG 573 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hwt n ASP 574 N -0.90 6.73 -0.50 0.55 4.64 -1.25 -1.32 116.55 124.51 3hwt n ASP 574 Ca 0.19 -2.94 0.14 0.00 -1.38 0.00 0.00 54.79 50.80 3hwt n ASP 574 Cb 0.78 -1.49 0.51 0.00 -1.04 0.00 0.00 41.12 39.88 3hwt n ASP 574 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17