#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmi h LYS 280 N 0.00 0.00 0.00 0.11 2.10 -2.04 -2.69 116.57 114.05 3hmi h LYS 280 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hmi h LYS 280 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hmi h LYS 280 CO 0.00 0.00 -0.07 -1.49 -2.00 0.00 0.00 179.45 175.89 3hmi h TRP 281 N 0.00 0.00 -2.95 0.07 4.06 -1.94 -3.46 115.95 111.73 3hmi h TRP 281 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 3hmi h TRP 281 Cb 0.05 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.26 3hmi h TRP 281 CO 0.00 0.00 0.87 -1.21 -3.56 0.00 0.00 178.44 174.54 3hmi s GLU 282 N -3.20 4.21 0.25 0.49 0.41 -1.02 -1.29 118.70 118.56 3hmi s GLU 282 Ca 0.07 2.39 0.03 0.00 -0.41 0.00 0.00 54.97 57.06 3hmi s GLU 282 Cb 0.07 -3.13 -0.05 0.00 -1.78 0.00 0.00 34.13 29.24 3hmi s GLU 282 CO 0.66 -0.59 0.02 0.00 -0.49 0.00 0.00 175.26 174.87 3hmi s MET 283 N 0.73 1.41 -0.25 1.61 0.23 -0.24 -4.87 119.30 117.91 3hmi s MET 283 Ca 0.68 -1.74 -0.29 0.00 -1.03 0.00 0.00 55.69 53.32 3hmi s MET 283 Cb -0.44 -0.61 0.01 0.00 -1.53 0.00 0.00 34.83 32.26 3hmi s MET 283 CO 0.35 -0.14 1.03 -2.00 -2.03 0.00 0.00 175.02 172.22 3hmi s GLU 284 N -3.89 4.21 0.33 3.16 2.56 -1.26 -4.65 118.70 119.15 3hmi s GLU 284 Ca 0.31 1.25 0.03 0.00 0.00 0.00 0.00 54.97 56.57 3hmi s GLU 284 Cb 0.07 -3.66 0.58 0.00 2.00 0.00 0.00 34.13 33.12 3hmi s GLU 284 CO 0.11 -0.68 1.88 0.07 -0.56 0.00 0.00 175.26 176.08 3hmi h ARG 285 N 7.62 0.60 0.00 4.30 0.11 -1.97 -1.49 114.38 123.55 3hmi h ARG 285 Ca -0.20 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.77 3hmi h ARG 285 Cb 1.06 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.05 3hmi h ARG 285 CO 0.98 0.58 0.00 0.25 0.10 0.00 0.00 179.97 181.88 3hmi n THR 286 N -4.30 1.07 0.33 0.08 -2.24 -1.26 -1.56 114.28 106.40 3hmi n THR 286 Ca 0.02 0.27 0.15 0.00 -2.27 0.00 0.00 64.05 62.22 3hmi n THR 286 Cb 0.22 -1.06 0.63 0.00 -2.10 0.00 0.00 70.33 68.02 3hmi n THR 286 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hmi h ASP 287 N 0.00 0.00 -3.37 3.42 5.19 -1.66 -3.45 116.42 116.55 3hmi h ASP 287 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 3hmi h ASP 287 Cb 0.20 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.51 3hmi h ASP 287 CO 0.00 0.00 -0.62 -0.63 -3.12 0.00 0.00 179.24 174.87 3hmi s ILE 288 N -3.55 4.27 -0.32 0.35 1.01 -0.60 -1.51 121.20 120.86 3hmi s ILE 288 Ca 0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 3hmi s ILE 288 Cb 0.09 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3hmi s ILE 288 CO 0.46 0.45 0.44 -0.89 0.00 0.00 0.00 174.94 175.40 3hmi s THR 289 N 0.64 5.10 -0.08 2.92 2.01 0.15 -4.92 115.64 121.47 3hmi s THR 289 Ca 0.01 0.38 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 3hmi s THR 289 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3hmi s THR 289 CO 0.02 -0.06 0.53 -0.04 -0.69 0.00 0.00 174.62 174.38 3hmi s MET 290 N 2.21 4.33 0.00 4.92 1.00 -1.26 -0.70 119.30 129.79 3hmi s MET 290 Ca 0.16 0.57 0.00 0.00 0.00 0.00 0.00 55.69 56.42 3hmi s MET 290 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 34.83 31.26 3hmi s MET 290 CO 0.12 0.21 0.00 1.63 0.00 0.00 0.00 175.02 176.98 3hmi n LYS 291 N 3.42 1.82 -1.97 2.03 5.02 0.73 -4.98 118.16 124.23 3hmi n LYS 291 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 3hmi n LYS 291 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.55 3hmi n LYS 291 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3hmi s HIS 292 N 4.22 3.46 0.37 2.13 -3.43 -1.25 -4.68 115.29 116.11 3hmi s HIS 292 Ca 0.00 1.10 -0.27 0.00 -0.80 0.00 0.00 55.06 55.09 3hmi s HIS 292 Cb 0.00 -2.85 -0.11 0.00 -1.43 0.00 0.00 32.58 28.19 3hmi s HIS 292 CO 0.00 -0.89 1.35 1.17 -2.00 0.00 0.00 174.74 174.37 3hmi n LYS 293 N -2.82 2.26 -2.52 -0.38 4.81 -1.26 -0.51 118.16 117.75 3hmi n LYS 293 Ca 0.06 0.80 -0.38 0.00 -0.87 0.00 0.00 58.31 57.91 3hmi n LYS 293 Cb 0.56 -2.45 -0.04 0.00 0.02 0.00 0.00 35.03 33.12 3hmi n LYS 293 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3hmi s LEU 294 N -1.51 4.32 -1.64 3.14 2.96 0.13 -3.75 118.68 122.33 3hmi s LEU 294 Ca 0.56 2.13 -0.15 0.00 -0.22 0.00 0.00 54.13 56.45 3hmi s LEU 294 Cb -0.53 -3.95 0.13 0.00 0.50 0.00 0.00 46.19 42.34 3hmi s LEU 294 CO 0.62 -0.34 0.75 0.61 -1.32 0.00 0.00 176.35 176.67 3hmi n GLY 295 N 0.72 -0.42 2.57 7.98 0.00 -1.26 -1.48 105.19 113.30 3hmi n GLY 295 Ca 0.02 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3hmi n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmi n GLY 296 N -1.53 1.72 0.38 -0.02 0.00 -1.25 -2.30 105.19 102.20 3hmi n GLY 296 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hmi n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmi n GLY 297 N -0.52 0.66 0.11 -0.02 0.00 -0.55 -4.96 105.19 99.91 3hmi n GLY 297 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3hmi n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmi n GLN 298 N -2.04 0.20 -0.50 1.61 10.64 -0.97 -2.41 117.38 123.91 3hmi n GLN 298 Ca 0.00 0.33 0.08 0.00 -1.83 0.00 0.00 57.00 55.58 3hmi n GLN 298 Cb 0.00 -1.82 0.30 0.00 -0.86 0.00 0.00 30.24 27.85 3hmi n GLN 298 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hmi n TYR 299 N -2.19 1.18 -4.39 2.61 4.01 -1.26 -5.08 117.16 112.03 3hmi n TYR 299 Ca 0.04 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 3hmi n TYR 299 Cb 0.30 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3hmi n TYR 299 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hmi n GLY 300 N 0.57 1.25 2.32 2.72 0.00 -1.01 -4.24 105.19 106.79 3hmi n GLY 300 Ca 0.22 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3hmi n GLY 300 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hmi n GLU 301 N 11.28 3.74 -5.07 1.61 -0.58 -1.26 -4.76 120.64 125.60 3hmi n GLU 301 Ca 0.00 -2.32 -0.32 0.00 -0.42 0.00 0.00 57.16 54.10 3hmi n GLU 301 Cb 0.00 -2.73 -0.15 0.00 -0.57 0.00 0.00 31.44 27.99 3hmi n GLU 301 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hmi s VAL 302 N 1.59 2.56 0.13 2.62 1.01 -1.26 -1.20 120.40 125.84 3hmi s VAL 302 Ca 0.67 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3hmi s VAL 302 Cb 0.19 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3hmi s VAL 302 CO -0.06 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.08 3hmi s TYR 303 N -0.37 1.92 0.09 5.22 2.02 0.10 0.18 117.35 126.51 3hmi s TYR 303 Ca 0.03 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3hmi s TYR 303 Cb -0.12 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 3hmi s TYR 303 CO 0.02 0.28 0.98 0.08 -1.57 0.00 0.00 175.55 175.34 3hmi s VAL 304 N -1.39 4.53 0.27 0.71 1.01 0.34 -0.37 120.40 125.50 3hmi s VAL 304 Ca 0.11 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.14 3hmi s VAL 304 Cb -0.09 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3hmi s VAL 304 CO 0.06 0.28 0.15 -0.83 0.00 0.00 0.00 175.10 174.75 3hmi s GLY 305 N 0.22 1.84 -0.11 4.51 0.00 -0.52 -0.19 107.32 113.08 3hmi s GLY 305 Ca 0.48 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.42 3hmi s GLY 305 CO 0.30 -1.52 -0.13 0.14 0.00 0.00 0.00 173.10 171.89 3hmi s VAL 306 N -3.78 1.35 -0.85 1.40 1.01 0.12 -0.80 120.40 118.86 3hmi s VAL 306 Ca 0.38 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 3hmi s VAL 306 Cb 0.06 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 35.23 3hmi s VAL 306 CO 0.16 0.41 1.27 0.86 0.00 0.00 0.00 175.10 177.81 3hmi s TRP 307 N 1.12 2.54 0.14 5.22 -0.11 0.68 -0.67 118.94 127.86 3hmi s TRP 307 Ca -0.04 -0.58 -0.20 0.00 1.22 0.00 0.00 56.10 56.50 3hmi s TRP 307 Cb -0.14 -4.56 0.01 0.00 -1.50 0.00 0.00 33.47 27.27 3hmi s TRP 307 CO -0.03 -1.89 1.68 0.87 -4.62 0.00 0.00 176.95 172.96 3hmi h LYS 308 N 9.72 -0.07 -0.97 5.86 1.57 -1.55 -1.98 116.57 129.15 3hmi h LYS 308 Ca -0.05 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.05 3hmi h LYS 308 Cb 1.04 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.20 3hmi h LYS 308 CO 1.30 -0.04 0.45 0.87 -0.57 0.00 0.00 179.45 181.45 3hmi h LYS 309 N -0.07 0.21 -0.23 3.15 1.57 -1.91 -0.36 116.57 118.93 3hmi h LYS 309 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3hmi h LYS 309 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3hmi h LYS 309 CO -0.27 0.14 0.00 0.66 -0.57 0.00 0.00 179.45 179.40 3hmi n TYR 310 N -5.16 0.28 -4.00 -1.35 4.01 -0.80 -4.97 117.16 105.17 3hmi n TYR 310 Ca 0.30 -0.17 -0.32 0.00 -0.16 0.00 0.00 57.90 57.56 3hmi n TYR 310 Cb 0.96 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.99 3hmi n TYR 310 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hmi n SER 311 N 1.21 -4.27 -4.23 7.72 7.64 -0.15 -4.94 113.62 116.60 3hmi n SER 311 Ca 0.15 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.85 3hmi n SER 311 Cb 0.53 -3.56 -0.15 0.00 -1.01 0.00 0.00 64.21 60.01 3hmi n SER 311 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hmi s LEU 312 N -7.27 2.46 0.23 -3.43 2.96 -1.02 -4.97 118.68 107.64 3hmi s LEU 312 Ca 0.67 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 3hmi s LEU 312 Cb -0.34 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 3hmi s LEU 312 CO 0.86 0.04 1.13 -0.89 -1.32 0.00 0.00 176.35 176.17 3hmi s THR 313 N 1.06 3.58 0.15 3.68 2.01 -1.26 -0.23 115.64 124.63 3hmi s THR 313 Ca -0.01 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.46 3hmi s THR 313 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3hmi s THR 313 CO -0.04 0.29 0.03 0.68 -0.69 0.00 0.00 174.62 174.89 3hmi s VAL 314 N -0.64 0.39 -0.11 3.82 -7.23 0.02 -3.80 120.40 112.86 3hmi s VAL 314 Ca 0.48 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 3hmi s VAL 314 Cb -0.32 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3hmi s VAL 314 CO 0.39 -0.49 0.08 0.00 -0.31 0.00 0.00 175.10 174.77 3hmi s ALA 315 N -3.85 3.63 -0.19 1.32 0.00 0.08 -1.43 121.76 121.32 3hmi s ALA 315 Ca 0.23 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 3hmi s ALA 315 Cb 0.07 -1.76 0.05 0.00 0.00 0.00 0.00 23.12 21.48 3hmi s ALA 315 CO 0.02 0.60 -0.01 0.08 0.00 0.00 0.00 175.76 176.46 3hmi s VAL 316 N -0.96 0.88 -0.09 0.00 1.01 0.51 -0.74 120.40 121.00 3hmi s VAL 316 Ca 0.14 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3hmi s VAL 316 Cb -0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3hmi s VAL 316 CO 0.03 -0.07 0.53 -0.75 0.00 0.00 0.00 175.10 174.84 3hmi s LYS 317 N 1.71 4.34 0.20 2.72 2.20 0.13 0.01 119.74 131.05 3hmi s LYS 317 Ca -0.01 0.56 0.08 0.00 -0.36 0.00 0.00 55.97 56.23 3hmi s LYS 317 Cb -0.17 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3hmi s LYS 317 CO -0.07 0.18 0.02 0.99 -0.36 0.00 0.00 175.35 176.11 3hmi s THR 318 N 0.50 3.72 -0.45 3.43 2.01 -0.34 -0.66 115.64 123.84 3hmi s THR 318 Ca 0.29 -1.54 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 3hmi s THR 318 Cb -0.16 -2.91 0.07 0.00 0.01 0.00 0.00 72.50 69.51 3hmi s THR 318 CO 0.13 -0.20 0.34 -0.22 -0.69 0.00 0.00 174.62 173.98 3hmi s LEU 319 N -3.20 5.44 0.00 4.42 0.20 -0.92 -4.83 118.68 119.79 3hmi s LEU 319 Ca 0.29 -1.39 0.00 0.00 0.69 0.00 0.00 54.13 53.72 3hmi s LEU 319 Cb -0.08 -2.11 0.00 0.00 -0.43 0.00 0.00 46.19 43.57 3hmi s LEU 319 CO 0.19 -0.60 0.00 0.29 -0.29 0.00 0.00 176.35 175.94 3hmi n LYS 320 N 5.10 3.98 0.23 1.98 4.76 -1.26 -4.59 118.16 128.35 3hmi n LYS 320 Ca -0.12 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 3hmi n LYS 320 Cb 0.43 0.00 0.54 0.00 -1.84 0.00 0.00 35.03 34.16 3hmi n LYS 320 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hmi h GLU 321 N 0.00 0.00 -0.95 1.97 3.07 -2.03 -2.92 114.58 113.71 3hmi h GLU 321 Ca 0.00 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.12 3hmi h GLU 321 Cb 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.77 3hmi h GLU 321 CO 0.00 0.22 0.47 -0.44 -1.40 0.00 0.00 179.01 177.86 3hmi h ASP 322 N 0.00 0.41 -3.76 1.42 5.19 -1.98 -3.38 116.42 114.32 3hmi h ASP 322 Ca -0.00 0.17 -0.68 0.00 -0.62 0.00 0.00 57.03 55.90 3hmi h ASP 322 Cb 0.46 0.14 -0.34 0.00 0.18 0.00 0.00 39.33 39.77 3hmi h ASP 322 CO 0.03 -0.05 -0.74 -0.89 -3.12 0.00 0.00 179.24 174.47 3hmi s THR 323 N -5.80 2.71 -1.42 0.35 2.01 -1.10 -4.85 115.64 107.53 3hmi s THR 323 Ca -0.11 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.49 3hmi s THR 323 Cb 0.27 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3hmi s THR 323 CO 0.79 -0.03 0.76 1.15 -0.69 0.00 0.00 174.62 176.59 3hmi n MET 324 N 4.57 1.13 -3.15 4.92 0.00 -1.26 -4.64 117.12 118.69 3hmi n MET 324 Ca -0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 57.70 57.12 3hmi n MET 324 Cb 0.43 -1.31 -0.04 0.00 0.00 0.00 0.00 33.22 32.30 3hmi n MET 324 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3hmi n GLU 325 N -0.16 3.35 -0.10 3.17 1.02 -1.26 -4.89 120.64 121.77 3hmi n GLU 325 Ca 0.01 -4.71 -0.10 0.00 -0.02 0.00 0.00 57.16 52.35 3hmi n GLU 325 Cb 0.18 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.25 3hmi n GLU 325 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hmi h VAL 326 N 3.07 1.18 -0.94 2.62 2.07 -2.01 -2.47 116.25 119.78 3hmi h VAL 326 Ca 0.21 -0.57 0.12 0.00 0.82 0.00 0.00 66.70 67.28 3hmi h VAL 326 Cb 0.58 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3hmi h VAL 326 CO 0.96 0.20 0.57 -0.33 0.02 0.00 0.00 177.57 178.98 3hmi h GLU 327 N 0.35 0.87 -0.34 1.57 3.07 -1.99 -1.11 114.58 116.99 3hmi h GLU 327 Ca 0.10 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3hmi h GLU 327 Cb 0.19 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3hmi h GLU 327 CO -0.01 0.57 0.15 1.49 -1.40 0.00 0.00 179.01 179.82 3hmi h GLU 328 N 0.89 0.50 -0.75 2.33 4.81 -1.91 -0.54 114.58 119.92 3hmi h GLU 328 Ca 0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3hmi h GLU 328 Cb 0.50 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3hmi h GLU 328 CO -0.28 0.47 0.49 0.35 -0.73 0.00 0.00 179.01 179.31 3hmi h PHE 329 N 0.41 0.96 -0.31 0.92 3.57 -0.95 -1.06 116.94 120.48 3hmi h PHE 329 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3hmi h PHE 329 Cb 0.14 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3hmi h PHE 329 CO -0.01 0.62 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.45 3hmi h LEU 330 N 1.03 0.56 -0.57 0.59 3.38 -0.92 -1.95 115.31 117.42 3hmi h LEU 330 Ca 0.27 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3hmi h LEU 330 Cb -0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3hmi h LEU 330 CO -0.06 0.74 -0.00 0.11 0.09 0.00 0.00 178.44 179.32 3hmi h LYS 331 N 0.51 1.00 -0.24 1.13 1.57 -0.46 -0.77 116.57 119.31 3hmi h LYS 331 Ca 0.09 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3hmi h LYS 331 Cb 0.58 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 3hmi h LYS 331 CO 0.04 1.00 -0.01 1.49 -0.57 0.00 0.00 179.45 181.40 3hmi h GLU 332 N 0.89 0.06 -0.70 3.15 4.81 -0.94 -2.31 114.58 119.54 3hmi h GLU 332 Ca 0.16 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3hmi h GLU 332 Cb 0.55 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3hmi h GLU 332 CO 0.03 0.04 0.15 0.00 -0.73 0.00 0.00 179.01 178.50 3hmi h ALA 333 N 1.21 0.93 -0.45 2.92 0.00 -1.16 -2.65 119.26 120.06 3hmi h ALA 333 Ca 0.11 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hmi h ALA 333 Cb 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3hmi h ALA 333 CO -0.20 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.84 3hmi h ALA 334 N 1.08 0.52 -0.48 0.00 0.00 -0.84 -1.88 119.26 117.66 3hmi h ALA 334 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hmi h ALA 334 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hmi h ALA 334 CO 0.01 -0.27 0.26 0.28 0.00 0.00 0.00 179.25 179.52 3hmi h VAL 335 N 0.28 1.17 -0.44 0.00 2.07 -1.22 -2.81 116.25 115.29 3hmi h VAL 335 Ca 0.22 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3hmi h VAL 335 Cb 0.25 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hmi h VAL 335 CO -0.25 0.18 0.29 0.24 0.02 0.00 0.00 177.57 178.05 3hmi h MET 336 N 0.63 0.35 0.00 1.57 2.86 -1.01 0.40 114.93 119.73 3hmi h MET 336 Ca 0.17 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3hmi h MET 336 Cb 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hmi h MET 336 CO -0.03 0.23 0.00 0.87 1.06 0.00 0.00 176.91 179.05 3hmi h LYS 337 N 0.36 0.00 -0.15 1.72 1.57 -1.11 -2.73 116.57 116.23 3hmi h LYS 337 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hmi h LYS 337 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hmi h LYS 337 CO -0.04 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.23 3hmi n GLU 338 N -2.69 2.31 -3.91 3.15 1.02 0.13 -4.93 120.64 115.72 3hmi n GLU 338 Ca 0.01 -2.02 -0.35 0.00 -0.02 0.00 0.00 57.16 54.77 3hmi n GLU 338 Cb 0.22 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 3hmi n GLU 338 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hmi s ILE 339 N -1.77 4.60 -0.14 -3.67 1.01 -1.03 -5.07 121.20 115.14 3hmi s ILE 339 Ca 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 3hmi s ILE 339 Cb 0.20 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.62 3hmi s ILE 339 CO 0.30 0.40 0.14 -0.75 0.00 0.00 0.00 174.94 175.03 3hmi s LYS 340 N 0.94 0.07 -0.14 2.79 2.47 -1.26 -4.81 119.74 119.80 3hmi s LYS 340 Ca 0.04 0.25 -0.24 0.00 -1.56 0.00 0.00 55.97 54.46 3hmi s LYS 340 Cb -0.14 -1.02 0.06 0.00 -1.46 0.00 0.00 37.83 35.27 3hmi s LYS 340 CO 0.03 -0.51 0.60 -1.58 0.16 0.00 0.00 175.35 174.04 3hmi s HIS 341 N 2.24 -0.60 -0.18 4.03 2.46 -1.26 -5.05 115.29 116.92 3hmi s HIS 341 Ca 0.04 1.28 0.27 0.00 0.47 0.00 0.00 55.06 57.12 3hmi s HIS 341 Cb -0.14 0.27 1.26 0.00 -0.13 0.00 0.00 32.58 33.84 3hmi s HIS 341 CO -0.08 -0.43 1.82 -1.00 -2.47 0.00 0.00 174.74 172.57 3hmi h PRO 342 N 4.25 0.00 -0.08 2.88 0.13 -1.99 -2.29 132.00 134.89 3hmi h PRO 342 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3hmi h PRO 342 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hmi h PRO 342 CO 0.25 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.08 3hmi n ASN 343 N -2.48 2.72 -4.27 1.44 4.13 -1.26 -4.83 115.26 110.71 3hmi n ASN 343 Ca 0.00 -3.15 -0.31 0.00 1.68 0.00 0.00 54.58 52.81 3hmi n ASN 343 Cb 0.17 -0.47 -0.16 0.00 -1.54 0.00 0.00 39.78 37.77 3hmi n ASN 343 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hmi s LEU 344 N -2.90 2.05 0.16 3.41 1.43 -0.86 -0.99 118.68 120.97 3hmi s LEU 344 Ca 0.35 -0.48 -0.34 0.00 -1.03 0.00 0.00 54.13 52.64 3hmi s LEU 344 Cb 0.31 -1.31 -0.15 0.00 0.03 0.00 0.00 46.19 45.07 3hmi s LEU 344 CO 0.04 0.26 1.45 0.52 0.23 0.00 0.00 176.35 178.85 3hmi n VAL 345 N 2.77 0.26 -2.94 -1.59 0.31 -0.81 -4.63 118.33 111.70 3hmi n VAL 345 Ca -0.17 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 3hmi n VAL 345 Cb 0.52 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.12 3hmi n VAL 345 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hmi s GLN 346 N 0.43 4.30 0.20 5.55 2.00 -1.26 -4.83 119.66 126.05 3hmi s GLN 346 Ca 0.78 0.94 -0.30 0.00 -2.00 0.00 0.00 55.36 54.77 3hmi s GLN 346 Cb -0.76 -3.56 -0.09 0.00 0.80 0.00 0.00 33.01 29.40 3hmi s GLN 346 CO 0.44 -0.26 1.40 -1.17 -0.50 0.00 0.00 175.29 175.19 3hmi s LEU 347 N 1.93 4.39 -0.16 3.68 2.96 -1.26 -1.47 118.68 128.75 3hmi s LEU 347 Ca 0.37 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.84 3hmi s LEU 347 Cb -0.17 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.78 3hmi s LEU 347 CO 0.13 -0.64 -0.09 0.18 -1.32 0.00 0.00 176.35 174.61 3hmi n LEU 348 N 2.83 2.05 -3.82 -0.68 4.77 0.33 -4.88 117.00 117.60 3hmi n LEU 348 Ca 0.08 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3hmi n LEU 348 Cb 0.41 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hmi n LEU 348 CO 0.59 0.65 1.08 -0.83 -1.33 0.00 0.00 177.39 177.55 3hmi s GLY 349 N -5.36 -0.25 0.09 -0.72 0.00 -0.83 -4.96 107.32 95.28 3hmi s GLY 349 Ca -0.18 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 3hmi s GLY 349 CO 0.45 3.07 -0.01 -1.34 0.00 0.00 0.00 173.10 175.26 3hmi s VAL 350 N -2.19 0.33 -0.43 1.40 -7.23 -0.41 -0.63 120.40 111.25 3hmi s VAL 350 Ca 0.22 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3hmi s VAL 350 Cb 0.02 -1.75 0.13 0.00 0.56 0.00 0.00 36.38 35.34 3hmi s VAL 350 CO -0.02 -0.79 0.21 0.00 -0.31 0.00 0.00 175.10 174.19 3hmi n THR 352 N 3.71 1.23 0.41 0.00 -2.24 -1.26 -1.14 114.28 114.99 3hmi n THR 352 Ca 0.06 -2.16 0.11 0.00 -2.27 0.00 0.00 64.05 59.79 3hmi n THR 352 Cb 0.36 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 3hmi n THR 352 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hmi n LEU 353 N -0.46 0.58 -3.55 3.22 4.77 -1.26 -4.95 117.00 115.35 3hmi n LEU 353 Ca 0.13 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hmi n LEU 353 Cb 0.87 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.86 3hmi n LEU 353 CO -0.04 -0.00 0.43 -1.83 -1.33 0.00 0.00 177.39 174.62 3hmi s GLU 354 N -3.27 1.42 0.67 3.23 1.03 -1.26 -5.18 118.70 115.34 3hmi s GLU 354 Ca 0.01 -0.62 -0.11 0.00 0.03 0.00 0.00 54.97 54.28 3hmi s GLU 354 Cb 0.13 0.59 -0.01 0.00 -0.80 0.00 0.00 34.13 34.05 3hmi s GLU 354 CO 0.81 -0.63 1.05 -1.25 -1.33 0.00 0.00 175.26 173.91 3hmi s PRO 355 N -3.79 3.19 0.34 -4.83 0.04 -1.26 -4.15 135.00 124.54 3hmi s PRO 355 Ca 0.04 0.77 -0.27 0.00 0.04 0.00 0.00 61.00 61.58 3hmi s PRO 355 Cb -0.02 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3hmi s PRO 355 CO -0.07 -0.87 1.08 -1.25 0.04 0.00 0.00 177.00 175.93 3hmi s PRO 356 N -5.16 4.41 0.33 0.56 0.04 -1.26 -5.11 135.00 128.81 3hmi s PRO 356 Ca 0.57 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 3hmi s PRO 356 Cb -0.12 -2.89 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 3hmi s PRO 356 CO 0.54 0.04 1.20 -0.06 0.04 0.00 0.00 177.00 178.77 3hmi s PHE 357 N -1.38 3.23 0.12 0.56 0.08 -1.26 -4.87 117.98 114.46 3hmi s PHE 357 Ca 0.51 1.54 0.09 0.00 0.12 0.00 0.00 56.93 59.20 3hmi s PHE 357 Cb -0.28 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 3hmi s PHE 357 CO 0.35 -1.29 -0.23 0.71 -0.10 0.00 0.00 175.22 174.65 3hmi s TYR 358 N -1.21 2.02 -0.08 0.36 2.02 -0.29 -2.15 117.35 118.02 3hmi s TYR 358 Ca 0.49 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 3hmi s TYR 358 Cb -0.35 -1.09 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 3hmi s TYR 358 CO 0.46 0.28 -0.20 0.42 -1.57 0.00 0.00 175.55 174.93 3hmi s ILE 359 N -1.17 1.75 -0.15 2.71 1.01 0.16 -1.45 121.20 124.06 3hmi s ILE 359 Ca 0.10 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3hmi s ILE 359 Cb -0.10 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3hmi s ILE 359 CO 0.05 0.49 -0.21 -0.69 0.00 0.00 0.00 174.94 174.59 3hmi s VAL 360 N 0.30 2.00 0.36 2.92 1.01 0.20 -0.70 120.40 126.49 3hmi s VAL 360 Ca -0.14 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3hmi s VAL 360 Cb -0.16 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 3hmi s VAL 360 CO 0.06 0.53 0.03 0.42 0.00 0.00 0.00 175.10 176.15 3hmi s THR 361 N 1.00 1.54 0.84 3.92 -4.23 0.08 -0.51 115.64 118.28 3hmi s THR 361 Ca -0.03 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 3hmi s THR 361 Cb -0.15 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.91 3hmi s THR 361 CO -0.06 -0.01 1.12 -1.84 -0.54 0.00 0.00 174.62 173.29 3hmi n GLU 362 N -0.80 0.01 -4.33 3.99 0.28 -0.54 -0.74 120.64 118.51 3hmi n GLU 362 Ca -0.03 0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.71 3hmi n GLU 362 Cb 0.67 -2.37 -0.11 0.00 1.43 0.00 0.00 31.44 31.06 3hmi n GLU 362 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3hmi s TYR 363 N -2.24 3.10 -0.38 -1.84 5.04 -1.25 -3.99 117.35 115.78 3hmi s TYR 363 Ca 0.71 -0.09 -0.15 0.00 -2.44 0.00 0.00 57.07 55.10 3hmi s TYR 363 Cb -0.28 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.11 3hmi s TYR 363 CO 0.54 0.15 0.33 -1.64 -1.34 0.00 0.00 175.55 173.58 3hmi s MET 364 N -0.01 3.24 0.43 4.97 -1.94 -1.26 -4.96 119.30 119.77 3hmi s MET 364 Ca 0.02 -0.75 0.23 0.00 -1.71 0.00 0.00 55.69 53.48 3hmi s MET 364 Cb -0.13 -3.90 0.88 0.00 2.01 0.00 0.00 34.83 33.69 3hmi s MET 364 CO 0.02 -0.65 1.81 -1.00 -0.01 0.00 0.00 175.02 175.19 3hmi h PRO 365 N 8.58 0.00 -0.21 2.03 0.13 -1.99 -3.12 132.00 137.42 3hmi h PRO 365 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hmi h PRO 365 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hmi h PRO 365 CO 0.71 0.25 0.00 0.66 -0.23 0.00 0.00 178.00 179.39 3hmi n TYR 366 N -3.41 0.27 -3.50 1.56 0.53 -1.17 -5.04 117.16 106.40 3hmi n TYR 366 Ca 0.00 -0.13 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 3hmi n TYR 366 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.75 3hmi n TYR 366 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hmi n GLY 367 N 1.09 -1.78 3.92 2.72 0.00 -1.18 -4.77 105.19 105.20 3hmi n GLY 367 Ca 0.15 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 3hmi n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmi s ASN 368 N -4.00 5.68 0.25 1.61 2.20 -1.26 -1.63 114.94 117.79 3hmi s ASN 368 Ca 0.00 0.62 0.02 0.00 -0.94 0.00 0.00 52.86 52.56 3hmi s ASN 368 Cb 0.00 -1.69 0.32 0.00 -2.00 0.00 0.00 41.25 37.88 3hmi s ASN 368 CO 0.00 -0.96 1.64 0.25 -2.94 0.00 0.00 177.10 175.09 3hmi h LEU 369 N -0.03 0.46 0.62 3.54 5.85 -0.46 -1.95 115.31 123.34 3hmi h LEU 369 Ca -0.46 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 3hmi h LEU 369 Cb 1.25 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3hmi h LEU 369 CO 0.60 0.81 -0.37 0.25 -0.34 0.00 0.00 178.44 179.39 3hmi h LEU 370 N 0.36 -0.93 -0.92 2.25 5.85 -1.79 -0.26 115.31 119.86 3hmi h LEU 370 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hmi h LEU 370 Cb 0.86 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3hmi h LEU 370 CO 0.07 -0.59 0.59 0.44 -0.34 0.00 0.00 178.44 178.61 3hmi h ASP 371 N -0.94 1.08 -0.41 1.25 3.32 -1.89 -2.21 116.42 116.63 3hmi h ASP 371 Ca -0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hmi h ASP 371 Cb 0.76 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3hmi h ASP 371 CO 0.09 0.80 0.27 0.22 -1.72 0.00 0.00 179.24 178.90 3hmi h TYR 372 N 1.26 0.51 -0.55 4.55 3.20 -1.08 -1.07 116.97 123.80 3hmi h TYR 372 Ca 0.33 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 3hmi h TYR 372 Cb -0.10 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3hmi h TYR 372 CO -0.00 0.33 0.19 -0.07 -1.64 0.00 0.00 178.16 176.97 3hmi h LEU 373 N 0.55 0.78 -1.46 2.82 3.38 -0.86 -1.10 115.31 119.42 3hmi h LEU 373 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3hmi h LEU 373 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hmi h LEU 373 CO -0.03 0.76 0.01 0.03 0.09 0.00 0.00 178.44 179.30 3hmi h ARG 374 N 0.75 0.36 0.00 1.13 3.08 -1.09 -3.18 114.38 115.44 3hmi h ARG 374 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hmi h ARG 374 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hmi h ARG 374 CO -0.01 0.38 -1.15 0.39 -1.07 0.00 0.00 179.97 178.51 3hmi n GLU 375 N -4.35 0.25 -1.59 0.04 1.02 -0.43 -5.02 120.64 110.55 3hmi n GLU 375 Ca 0.01 -0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 3hmi n GLU 375 Cb 0.19 -1.55 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 3hmi n GLU 375 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hmi s ASN 377 N -3.80 6.97 0.00 0.00 3.84 -1.26 -4.93 114.94 115.77 3hmi s ASN 377 Ca 0.58 1.17 0.25 0.00 0.21 0.00 0.00 52.86 55.07 3hmi s ASN 377 Cb -0.14 -2.51 1.14 0.00 -0.55 0.00 0.00 41.25 39.19 3hmi s ASN 377 CO 0.55 -0.70 1.81 0.54 -2.79 0.00 0.00 177.10 176.51 3hmi n ARG 378 N 6.41 0.15 0.19 0.43 1.74 -1.26 -0.85 116.66 123.47 3hmi n ARG 378 Ca 0.10 0.07 0.08 0.00 -0.77 0.00 0.00 57.85 57.33 3hmi n ARG 378 Cb 0.47 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.56 3hmi n ARG 378 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hmi h GLU 379 N 0.00 0.00 0.00 5.56 4.39 -2.00 -3.29 114.58 119.24 3hmi h GLU 379 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3hmi h GLU 379 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3hmi h GLU 379 CO 0.00 0.21 -1.21 0.39 -1.16 0.00 0.00 179.01 177.24 3hmi n GLU 380 N -3.17 0.54 -2.75 2.33 1.02 -0.63 -4.59 120.64 113.39 3hmi n GLU 380 Ca 0.03 0.51 -0.43 0.00 -0.02 0.00 0.00 57.16 57.25 3hmi n GLU 380 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3hmi n GLU 380 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hmi n VAL 381 N -4.46 4.09 -2.25 2.62 0.31 -0.03 -4.85 118.33 113.76 3hmi n VAL 381 Ca -0.28 -4.39 -0.27 0.00 -0.01 0.00 0.00 64.34 59.39 3hmi n VAL 381 Cb 0.59 -2.40 0.17 0.00 -0.91 0.00 0.00 33.84 31.29 3hmi n VAL 381 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hmi n THR 382 N 5.57 0.00 -0.02 2.52 -2.24 -1.24 -4.62 114.28 114.25 3hmi n THR 382 Ca 0.43 -1.27 0.02 0.00 -2.27 0.00 0.00 64.05 60.96 3hmi n THR 382 Cb 0.44 -1.22 0.36 0.00 -2.10 0.00 0.00 70.33 67.81 3hmi n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmi h ALA 383 N -1.24 1.55 -0.47 6.98 0.00 -1.93 -0.76 119.26 123.38 3hmi h ALA 383 Ca -0.39 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3hmi h ALA 383 Cb 1.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3hmi h ALA 383 CO 0.33 0.36 0.25 0.28 0.00 0.00 0.00 179.25 180.47 3hmi h VAL 384 N 0.58 0.99 -0.46 0.00 2.07 -1.97 -1.98 116.25 115.47 3hmi h VAL 384 Ca 0.14 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3hmi h VAL 384 Cb 0.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3hmi h VAL 384 CO -0.02 0.09 -0.11 0.58 0.02 0.00 0.00 177.57 178.13 3hmi h VAL 385 N 0.50 1.26 -0.84 2.57 2.07 -1.65 -2.35 116.25 117.81 3hmi h VAL 385 Ca 0.20 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3hmi h VAL 385 Cb 0.08 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3hmi h VAL 385 CO -0.13 0.41 0.52 -0.07 0.02 0.00 0.00 177.57 178.33 3hmi h LEU 386 N 0.76 0.99 -0.85 2.57 3.38 -1.03 0.15 115.31 121.29 3hmi h LEU 386 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hmi h LEU 386 Cb 0.62 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3hmi h LEU 386 CO 0.04 0.75 0.40 0.25 0.09 0.00 0.00 178.44 179.97 3hmi h LEU 387 N 1.14 1.11 -0.31 1.67 5.85 -1.21 -0.85 115.31 122.71 3hmi h LEU 387 Ca 0.30 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hmi h LEU 387 Cb -0.07 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 3hmi h LEU 387 CO -0.06 0.94 0.14 0.22 -0.34 0.00 0.00 178.44 179.34 3hmi h TYR 388 N 1.21 0.45 -0.18 1.25 3.20 -0.79 0.45 116.97 122.56 3hmi h TYR 388 Ca 0.29 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.18 3hmi h TYR 388 Cb 0.13 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3hmi h TYR 388 CO 0.02 0.41 -0.15 0.52 -1.64 0.00 0.00 178.16 177.32 3hmi h MET 389 N 0.36 -0.16 -0.62 1.82 2.86 -0.70 -1.23 114.93 117.26 3hmi h MET 389 Ca 0.10 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3hmi h MET 389 Cb 0.14 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3hmi h MET 389 CO -0.01 -0.11 0.39 0.00 1.06 0.00 0.00 176.91 178.24 3hmi h ALA 390 N 0.93 0.79 -0.30 6.32 0.00 -1.01 -2.16 119.26 123.84 3hmi h ALA 390 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hmi h ALA 390 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hmi h ALA 390 CO -0.28 0.16 0.20 1.15 0.00 0.00 0.00 179.25 180.48 3hmi h THR 391 N 0.78 1.08 -0.46 0.00 2.02 -0.53 -0.86 112.91 114.93 3hmi h THR 391 Ca 0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3hmi h THR 391 Cb -0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3hmi h THR 391 CO -0.08 0.07 0.28 1.56 0.37 0.00 0.00 175.52 177.73 3hmi h GLN 392 N 0.40 0.62 -0.59 6.66 4.20 -1.12 0.55 115.11 125.83 3hmi h GLN 392 Ca 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hmi h GLN 392 Cb -0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hmi h GLN 392 CO -0.02 0.45 0.33 0.82 -0.67 0.00 0.00 178.83 179.73 3hmi h ILE 393 N 0.62 1.19 -0.03 2.54 2.04 -1.13 -2.37 117.51 120.37 3hmi h ILE 393 Ca 0.17 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3hmi h ILE 393 Cb -0.02 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3hmi h ILE 393 CO -0.03 0.21 -0.31 0.77 0.00 0.00 0.00 178.15 178.78 3hmi h SER 394 N 0.80 0.05 -0.36 1.72 4.64 -0.76 -1.81 113.55 117.83 3hmi h SER 394 Ca 0.21 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3hmi h SER 394 Cb 0.04 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3hmi h SER 394 CO -0.03 0.37 0.17 -1.28 -0.87 0.00 0.00 176.83 175.18 3hmi h SER 395 N 0.05 0.48 -0.44 4.97 0.87 -0.58 -0.10 113.55 118.80 3hmi h SER 395 Ca 0.01 -0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3hmi h SER 395 Cb 0.58 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 3hmi h SER 395 CO 0.04 0.48 0.12 0.00 -0.53 0.00 0.00 176.83 176.95 3hmi h ALA 396 N 1.02 0.51 -0.02 6.23 0.00 -1.11 -2.20 119.26 123.70 3hmi h ALA 396 Ca 0.12 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3hmi h ALA 396 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hmi h ALA 396 CO -0.01 -0.28 -0.64 0.52 0.00 0.00 0.00 179.25 178.83 3hmi h MET 397 N 0.27 0.06 -0.70 0.00 2.86 -1.23 -1.90 114.93 114.29 3hmi h MET 397 Ca 0.21 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3hmi h MET 397 Cb 0.25 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3hmi h MET 397 CO -0.25 0.68 0.44 1.49 1.06 0.00 0.00 176.91 180.33 3hmi h GLU 398 N 0.05 0.83 -0.50 1.72 4.81 -0.72 -0.35 114.58 120.41 3hmi h GLU 398 Ca -0.01 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3hmi h GLU 398 Cb 1.14 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3hmi h GLU 398 CO 0.09 0.55 0.13 -0.92 -0.73 0.00 0.00 179.01 178.12 3hmi h TYR 399 N 0.85 0.83 -0.37 0.92 3.20 -0.94 -1.16 116.97 120.30 3hmi h TYR 399 Ca 0.28 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3hmi h TYR 399 Cb 0.03 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3hmi h TYR 399 CO -0.04 0.74 0.13 -0.07 -1.64 0.00 0.00 178.16 177.28 3hmi h LEU 400 N 0.68 0.52 -0.43 2.82 3.38 -1.17 -1.62 115.31 119.50 3hmi h LEU 400 Ca 0.16 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3hmi h LEU 400 Cb 0.32 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3hmi h LEU 400 CO 0.00 0.57 -0.05 -0.08 0.09 0.00 0.00 178.44 178.97 3hmi h GLU 401 N 0.45 0.06 -0.40 1.13 4.81 -0.95 -1.35 114.58 118.32 3hmi h GLU 401 Ca 0.12 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3hmi h GLU 401 Cb 0.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3hmi h GLU 401 CO -0.01 0.04 0.13 -0.22 -0.73 0.00 0.00 179.01 178.22 3hmi h LYS 402 N 0.06 0.57 -0.08 1.92 3.64 -0.90 -1.90 116.57 119.88 3hmi h LYS 402 Ca 0.21 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3hmi h LYS 402 Cb 0.32 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3hmi h LYS 402 CO -0.40 0.50 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 3hmi n LYS 403 N -4.36 1.34 -3.69 1.90 4.76 -0.64 -4.93 118.16 112.55 3hmi n LYS 403 Ca 0.03 -0.51 -0.25 0.00 -2.87 0.00 0.00 58.31 54.71 3hmi n LYS 403 Cb 0.17 -1.34 0.06 0.00 -1.84 0.00 0.00 35.03 32.08 3hmi n LYS 403 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hmi n ASN 404 N -0.27 -4.75 -4.54 4.39 3.02 -0.68 -4.91 115.26 107.52 3hmi n ASN 404 Ca 0.15 -0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 53.72 3hmi n ASN 404 Cb 0.19 -4.58 -0.11 0.00 -0.61 0.00 0.00 39.78 34.66 3hmi n ASN 404 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hmi s PHE 405 N -3.36 2.77 0.03 3.10 0.08 -0.60 -1.28 117.98 118.71 3hmi s PHE 405 Ca 0.47 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.46 3hmi s PHE 405 Cb -0.22 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3hmi s PHE 405 CO 0.77 0.31 -0.12 0.96 -0.10 0.00 0.00 175.22 177.04 3hmi s ILE 406 N -0.93 3.26 -0.21 0.64 -0.00 -0.01 -4.32 121.20 119.62 3hmi s ILE 406 Ca 0.15 -0.99 -0.18 0.00 -0.00 0.00 0.00 60.65 59.63 3hmi s ILE 406 Cb -0.11 -2.41 -0.15 0.00 -0.00 0.00 0.00 42.46 39.80 3hmi s ILE 406 CO 0.05 0.35 -0.00 1.57 -0.00 0.00 0.00 174.94 176.91 3hmi n HIS 407 N 1.48 0.72 -0.67 1.37 -0.00 -1.26 -1.93 115.22 114.93 3hmi n HIS 407 Ca -0.15 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.34 3hmi n HIS 407 Cb 0.52 -1.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.39 3hmi n HIS 407 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3hmi n ARG 408 N -4.42 0.00 -2.71 1.57 1.74 -1.26 -4.58 116.66 107.00 3hmi n ARG 408 Ca -0.33 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.66 3hmi n ARG 408 Cb 0.66 -2.64 0.07 0.00 -1.02 0.00 0.00 32.46 29.53 3hmi n ARG 408 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hmi n ASP 409 N 0.00 -0.37 -4.70 0.55 2.03 -1.26 -4.97 116.55 107.82 3hmi n ASP 409 Ca 0.00 -2.67 -0.42 0.00 0.52 0.00 0.00 54.79 52.22 3hmi n ASP 409 Cb 0.00 0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 3hmi n ASP 409 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3hmi s LEU 410 N -3.07 4.32 -0.22 -2.67 2.96 -1.26 -4.77 118.68 113.97 3hmi s LEU 410 Ca 0.25 1.73 -0.35 0.00 -0.22 0.00 0.00 54.13 55.54 3hmi s LEU 410 Cb 0.42 -3.57 0.15 0.00 0.50 0.00 0.00 46.19 43.69 3hmi s LEU 410 CO -0.03 -0.41 1.26 0.00 -1.32 0.00 0.00 176.35 175.85 3hmi s ALA 411 N 1.52 -2.11 0.40 5.97 0.00 -1.26 -4.72 121.76 121.57 3hmi s ALA 411 Ca 0.53 1.71 0.08 0.00 0.00 0.00 0.00 51.96 54.28 3hmi s ALA 411 Cb -0.23 -0.36 0.85 0.00 0.00 0.00 0.00 23.12 23.39 3hmi s ALA 411 CO 0.24 -0.53 2.03 0.00 0.00 0.00 0.00 175.76 177.50 3hmi h ALA 412 N 2.02 1.75 0.00 0.00 0.00 -1.93 -0.81 119.26 120.30 3hmi h ALA 412 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hmi h ALA 412 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hmi h ALA 412 CO 0.22 0.20 0.00 0.07 0.00 0.00 0.00 179.25 179.74 3hmi h ARG 413 N 0.59 0.00 -0.28 0.00 0.11 -1.95 -2.34 114.38 110.50 3hmi h ARG 413 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3hmi h ARG 413 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3hmi h ARG 413 CO -0.05 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.11 3hmi n ASN 414 N -2.88 3.48 -4.49 0.08 3.02 -0.32 -4.78 115.26 109.38 3hmi n ASN 414 Ca -0.01 -2.63 -0.31 0.00 -0.03 0.00 0.00 54.58 51.59 3hmi n ASN 414 Cb 0.16 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 3hmi n ASN 414 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmi s LEU 416 N -1.28 2.22 -0.09 0.00 2.01 0.12 -0.26 118.68 121.40 3hmi s LEU 416 Ca 0.14 -0.63 -0.00 0.00 0.01 0.00 0.00 54.13 53.65 3hmi s LEU 416 Cb -0.11 -1.18 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 3hmi s LEU 416 CO 0.05 0.20 -0.05 -0.69 1.01 0.00 0.00 176.35 176.87 3hmi s VAL 417 N -0.91 3.86 0.00 -1.59 1.01 -0.65 -0.41 120.40 121.71 3hmi s VAL 417 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hmi s VAL 417 Cb -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3hmi s VAL 417 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3hmi n GLY 418 N 2.42 5.91 3.76 4.51 0.00 0.10 -3.07 105.19 118.82 3hmi n GLY 418 Ca -0.18 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 3hmi n GLY 418 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hmi s GLU 419 N -0.16 3.72 -1.45 1.61 2.12 -1.26 -3.50 118.70 119.78 3hmi s GLU 419 Ca 0.00 2.08 -0.08 0.00 0.36 0.00 0.00 54.97 57.33 3hmi s GLU 419 Cb 0.00 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.86 3hmi s GLU 419 CO 0.00 -0.67 0.94 0.09 -0.54 0.00 0.00 175.26 175.07 3hmi n ASN 420 N -0.30 -6.10 -1.90 -1.70 5.03 -1.26 -2.29 115.26 106.76 3hmi n ASN 420 Ca 0.06 -0.46 -0.19 0.00 0.87 0.00 0.00 54.58 54.86 3hmi n ASN 420 Cb 0.45 -4.85 -0.04 0.00 -1.02 0.00 0.00 39.78 34.32 3hmi n ASN 420 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3hmi n HIS 421 N -4.77 -0.55 -2.18 3.10 8.25 -1.23 -4.97 115.22 112.87 3hmi n HIS 421 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 3hmi n HIS 421 Cb 0.58 -3.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.14 3hmi n HIS 421 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hmi s VAL 422 N -2.86 2.93 -0.04 1.59 1.01 -0.97 -4.74 120.40 117.33 3hmi s VAL 422 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.91 3hmi s VAL 422 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3hmi s VAL 422 CO 0.00 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.40 3hmi s VAL 423 N -0.74 1.56 -0.04 2.92 1.01 -1.26 -0.72 120.40 123.12 3hmi s VAL 423 Ca 0.51 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3hmi s VAL 423 Cb -0.38 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3hmi s VAL 423 CO 0.47 0.44 -0.15 -0.54 0.00 0.00 0.00 175.10 175.32 3hmi s LYS 424 N -0.13 1.58 -0.02 2.72 1.02 0.45 -4.53 119.74 120.83 3hmi s LYS 424 Ca -0.01 -0.52 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 3hmi s LYS 424 Cb -0.11 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 3hmi s LYS 424 CO 0.02 0.20 0.76 0.08 -0.92 0.00 0.00 175.35 175.49 3hmi s VAL 425 N 0.11 4.92 0.45 3.17 1.01 -0.16 0.11 120.40 130.01 3hmi s VAL 425 Ca -0.04 1.59 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 3hmi s VAL 425 Cb -0.11 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3hmi s VAL 425 CO 0.02 0.27 1.42 0.00 0.00 0.00 0.00 175.10 176.81 3hmi n ALA 426 N 3.48 1.98 -2.14 5.51 0.00 -0.52 -1.92 120.51 126.90 3hmi n ALA 426 Ca -0.01 0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.72 3hmi n ALA 426 Cb 0.51 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.61 3hmi n ALA 426 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hmi n ASP 427 N -0.13 0.73 -4.82 0.00 5.68 -1.26 -4.91 116.55 111.84 3hmi n ASP 427 Ca 0.05 -2.21 -0.31 0.00 -0.50 0.00 0.00 54.79 51.82 3hmi n ASP 427 Cb 0.41 -0.28 0.05 0.00 -1.14 0.00 0.00 41.12 40.16 3hmi n ASP 427 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3hmi s PHE 428 N -0.42 3.08 -1.06 2.11 0.08 -1.26 -4.29 117.98 116.23 3hmi s PHE 428 Ca 0.20 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.64 3hmi s PHE 428 Cb 0.22 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 3hmi s PHE 428 CO -0.08 -1.29 0.00 0.41 -0.10 0.00 0.00 175.22 174.16 3hmi n GLY 429 N -2.01 1.11 3.89 4.36 0.00 -1.26 -5.02 105.19 106.27 3hmi n GLY 429 Ca 0.07 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 3hmi n GLY 429 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hmi s LEU 430 N -2.31 3.22 0.02 0.99 1.43 -1.26 -4.82 118.68 115.95 3hmi s LEU 430 Ca 0.00 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3hmi s LEU 430 Cb 0.00 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 3hmi s LEU 430 CO 0.00 -0.99 -0.04 -0.44 0.23 0.00 0.00 176.35 175.11 3hmi s SER 431 N -4.25 0.48 0.37 2.29 0.01 -0.81 -4.61 113.70 107.19 3hmi s SER 431 Ca 0.54 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.24 3hmi s SER 431 Cb -0.11 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 3hmi s SER 431 CO 0.49 -0.10 1.15 -0.13 0.41 0.00 0.00 173.24 175.06 3hmi s ARG 432 N -0.81 4.20 -0.30 12.44 0.52 -1.26 -0.83 118.95 132.91 3hmi s ARG 432 Ca -0.06 1.82 -0.14 0.00 -0.52 0.00 0.00 55.73 56.83 3hmi s ARG 432 Cb -0.06 -2.79 0.18 0.00 0.52 0.00 0.00 34.95 32.80 3hmi s ARG 432 CO -0.00 -0.19 1.11 -1.17 0.02 0.00 0.00 175.30 175.07 3hmi s LEU 433 N -2.26 -0.32 0.63 2.53 2.96 -0.41 -4.86 118.68 116.96 3hmi s LEU 433 Ca 0.54 0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.43 3hmi s LEU 433 Cb -0.31 1.25 -0.02 0.00 0.50 0.00 0.00 46.19 47.62 3hmi s LEU 433 CO 0.39 -0.06 1.25 -0.04 -1.32 0.00 0.00 176.35 176.56 3hmi s MET 434 N 2.97 2.70 0.29 1.98 -1.94 -1.26 -4.20 119.30 119.85 3hmi s MET 434 Ca 0.03 1.92 -0.29 0.00 -1.71 0.00 0.00 55.69 55.64 3hmi s MET 434 Cb -0.08 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 3hmi s MET 434 CO -0.13 -1.44 1.32 0.95 -0.01 0.00 0.00 175.02 175.71 3hmi s THR 435 N -1.55 2.82 0.00 2.05 -4.23 -1.26 -1.82 115.64 111.65 3hmi s THR 435 Ca 0.79 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 62.08 3hmi s THR 435 Cb -0.33 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3hmi s THR 435 CO 0.37 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3hmi n GLY 436 N 1.29 0.67 3.63 3.99 0.00 -1.26 -5.07 105.19 108.45 3hmi n GLY 436 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3hmi n GLY 436 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hmi s ASP 437 N -2.96 4.30 0.03 1.61 2.15 -0.75 -5.15 116.67 115.90 3hmi s ASP 437 Ca 0.00 -0.86 0.03 0.00 0.43 0.00 0.00 52.55 52.16 3hmi s ASP 437 Cb 0.00 -0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 41.97 3hmi s ASP 437 CO 0.00 -0.15 -0.11 0.28 -0.17 0.00 0.00 175.17 175.03 3hmi s THR 438 N -2.45 0.81 -0.21 1.71 -1.32 -1.26 -4.81 115.64 108.12 3hmi s THR 438 Ca 0.34 -0.85 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 3hmi s THR 438 Cb -0.03 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 3hmi s THR 438 CO 0.20 -0.06 0.08 -0.47 -2.21 0.00 0.00 174.62 172.15 3hmi s TYR 439 N -0.82 3.21 -0.31 9.09 5.04 0.31 -4.94 117.35 128.93 3hmi s TYR 439 Ca -0.01 -0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.50 3hmi s TYR 439 Cb -0.07 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.10 3hmi s TYR 439 CO 0.01 0.00 0.12 0.99 -1.34 0.00 0.00 175.55 175.32 3hmi s THR 440 N 0.80 4.21 0.42 4.34 2.01 -1.26 0.58 115.64 126.75 3hmi s THR 440 Ca 0.04 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.16 3hmi s THR 440 Cb -0.13 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 3hmi s THR 440 CO 0.02 0.04 1.11 0.00 -0.69 0.00 0.00 174.62 175.10 3hmi s ALA 441 N 1.54 3.06 0.82 7.40 0.00 -0.09 -5.01 121.76 129.47 3hmi s ALA 441 Ca 0.03 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3hmi s ALA 441 Cb -0.17 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3hmi s ALA 441 CO 0.04 -0.43 0.78 0.72 0.00 0.00 0.00 175.76 176.87 3hmi n HIS 442 N -0.20 -0.11 -1.86 0.00 -0.00 -1.26 -4.86 115.22 106.94 3hmi n HIS 442 Ca 0.06 0.34 -0.40 0.00 -0.00 0.00 0.00 57.72 57.72 3hmi n HIS 442 Cb 0.48 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.52 3hmi n HIS 442 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hmi s ALA 443 N -2.13 3.45 -0.04 -1.41 0.00 -1.26 -2.12 121.76 118.24 3hmi s ALA 443 Ca 0.66 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3hmi s ALA 443 Cb -0.29 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3hmi s ALA 443 CO 0.58 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3hmi n GLY 444 N 0.54 0.37 3.75 0.00 0.00 -1.26 -5.00 105.19 103.58 3hmi n GLY 444 Ca 0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3hmi n GLY 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmi s ALA 445 N -1.70 3.48 -0.17 4.61 0.00 -0.90 -5.01 121.76 122.07 3hmi s ALA 445 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 3hmi s ALA 445 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3hmi s ALA 445 CO 0.00 -0.46 0.02 0.15 0.00 0.00 0.00 175.76 175.47 3hmi s LYS 446 N -0.59 3.84 0.28 0.00 1.02 -1.26 -5.04 119.74 117.99 3hmi s LYS 446 Ca 0.53 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 56.20 3hmi s LYS 446 Cb -0.35 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3hmi s LYS 446 CO 0.40 0.26 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.91 3hmi s PHE 447 N 0.37 2.44 -0.94 3.18 0.08 -1.26 -5.05 117.98 116.80 3hmi s PHE 447 Ca -0.00 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 3hmi s PHE 447 Cb -0.13 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 3hmi s PHE 447 CO 0.01 0.66 1.59 -1.25 -0.10 0.00 0.00 175.22 176.14 3hmi s PRO 448 N -3.58 3.22 0.19 0.24 0.04 -1.26 -4.91 135.00 128.94 3hmi s PRO 448 Ca 0.31 -0.72 -0.19 0.00 0.04 0.00 0.00 61.00 60.44 3hmi s PRO 448 Cb -0.05 -5.11 0.15 0.00 0.04 0.00 0.00 34.50 29.53 3hmi s PRO 448 CO 0.17 -2.54 1.59 0.82 0.04 0.00 0.00 177.00 177.08 3hmi h ILE 449 N 6.85 0.20 0.00 0.56 1.08 -1.96 -1.40 117.51 122.84 3hmi h ILE 449 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 3hmi h ILE 449 Cb 1.02 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3hmi h ILE 449 CO 1.34 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 179.09 3hmi n LYS 450 N -5.44 0.22 -0.11 2.37 5.02 -1.26 -1.70 118.16 117.26 3hmi n LYS 450 Ca 0.05 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3hmi n LYS 450 Cb 0.35 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.98 3hmi n LYS 450 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3hmi n TRP 451 N -1.26 0.28 -4.02 2.13 8.01 -0.53 -4.99 117.44 117.05 3hmi n TRP 451 Ca 0.07 -0.25 -0.34 0.00 -1.31 0.00 0.00 57.50 55.67 3hmi n TRP 451 Cb 0.11 -0.01 -0.10 0.00 -2.01 0.00 0.00 31.31 29.30 3hmi n TRP 451 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3hmi s THR 452 N -1.07 4.76 0.66 -0.99 2.01 -0.69 -3.85 115.64 116.47 3hmi s THR 452 Ca 0.22 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 3hmi s THR 452 Cb 0.13 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 3hmi s THR 452 CO 0.18 0.47 1.25 0.00 -0.69 0.00 0.00 174.62 175.83 3hmi s ALA 453 N 0.33 2.34 0.32 7.40 0.00 -1.26 -4.74 121.76 126.14 3hmi s ALA 453 Ca 0.03 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.09 3hmi s ALA 453 Cb -0.12 -3.50 0.62 0.00 0.00 0.00 0.00 23.12 20.11 3hmi s ALA 453 CO 0.00 -1.57 1.89 -1.35 0.00 0.00 0.00 175.76 174.73 3hmi h PRO 454 N 0.38 0.89 -0.00 0.00 0.11 -1.96 -0.57 132.00 130.85 3hmi h PRO 454 Ca -0.50 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.46 3hmi h PRO 454 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hmi h PRO 454 CO 0.53 0.59 -0.46 1.05 -0.21 0.00 0.00 178.00 179.49 3hmi h GLU 455 N 0.92 0.00 -0.20 1.05 9.09 -1.91 0.59 114.58 124.12 3hmi h GLU 455 Ca 0.41 -0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.68 3hmi h GLU 455 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3hmi h GLU 455 CO -0.17 0.47 -0.43 0.77 0.05 0.00 0.00 179.01 179.69 3hmi h SER 456 N 0.00 0.73 -0.53 3.06 0.02 -1.29 -0.95 113.55 114.59 3hmi h SER 456 Ca -0.00 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.41 3hmi h SER 456 Cb 0.82 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 3hmi h SER 456 CO 0.06 1.15 0.33 -0.07 -1.14 0.00 0.00 176.83 177.17 3hmi h LEU 457 N 0.34 0.55 0.05 5.07 3.38 -0.69 -0.96 115.31 123.06 3hmi h LEU 457 Ca 0.00 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3hmi h LEU 457 Cb 1.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3hmi h LEU 457 CO 0.10 0.39 -1.34 0.00 0.09 0.00 0.00 178.44 177.68 3hmi h ALA 458 N 1.22 0.38 0.00 1.53 0.00 -0.92 -3.40 119.26 118.07 3hmi h ALA 458 Ca 0.21 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3hmi h ALA 458 Cb -0.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hmi h ALA 458 CO -0.08 1.25 0.00 0.66 0.00 0.00 0.00 179.25 181.08 3hmi n TYR 459 N -3.35 0.00 -1.97 0.00 4.01 -0.36 -5.01 117.16 110.48 3hmi n TYR 459 Ca -0.10 -0.08 -0.18 0.00 -0.16 0.00 0.00 57.90 57.37 3hmi n TYR 459 Cb 1.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.98 3hmi n TYR 459 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hmi n ASN 460 N -0.08 -5.29 -4.53 7.72 4.13 -0.36 -4.89 115.26 111.94 3hmi n ASN 460 Ca 0.00 0.21 -0.40 0.00 1.68 0.00 0.00 54.58 56.06 3hmi n ASN 460 Cb 0.28 -4.39 -0.10 0.00 -1.54 0.00 0.00 39.78 34.03 3hmi n ASN 460 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hmi s THR 461 N -2.81 5.28 0.16 3.41 2.01 -1.23 -0.91 115.64 121.55 3hmi s THR 461 Ca 0.00 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 61.92 3hmi s THR 461 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3hmi s THR 461 CO 0.00 -0.00 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.44 3hmi s PHE 462 N 1.75 2.60 0.34 4.92 0.08 0.20 -3.32 117.98 124.55 3hmi s PHE 462 Ca 0.07 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 3hmi s PHE 462 Cb -0.17 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 3hmi s PHE 462 CO 0.11 0.47 0.70 -1.54 -0.10 0.00 0.00 175.22 174.86 3hmi s SER 463 N -2.57 0.06 0.45 1.36 1.04 -1.26 -0.53 113.70 112.26 3hmi s SER 463 Ca 0.22 -1.05 0.16 0.00 0.48 0.00 0.00 55.95 55.76 3hmi s SER 463 Cb -0.09 0.78 1.10 0.00 0.10 0.00 0.00 66.02 67.90 3hmi s SER 463 CO 0.13 -1.51 2.00 -0.29 0.98 0.00 0.00 173.24 174.55 3hmi h ILE 464 N 2.04 0.88 0.00 -1.02 6.09 -1.91 -1.13 117.51 122.46 3hmi h ILE 464 Ca -0.28 -0.11 -0.04 0.00 -1.37 0.00 0.00 64.86 63.06 3hmi h ILE 464 Cb 1.25 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 3hmi h ILE 464 CO 0.36 0.06 -0.21 0.11 -3.07 0.00 0.00 178.15 175.39 3hmi h LYS 465 N 0.32 0.00 0.00 2.19 1.79 -1.94 -0.90 116.57 118.03 3hmi h LYS 465 Ca 0.25 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.51 3hmi h LYS 465 Cb 0.57 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3hmi h LYS 465 CO -0.06 0.21 -0.90 0.66 -1.08 0.00 0.00 179.45 178.28 3hmi h SER 466 N 0.00 0.38 -0.85 0.86 4.64 -1.60 -2.39 113.55 114.59 3hmi h SER 466 Ca -0.00 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3hmi h SER 466 Cb 0.86 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 3hmi h SER 466 CO 0.03 1.11 0.54 0.44 -0.87 0.00 0.00 176.83 178.08 3hmi h ASP 467 N 0.16 0.90 -0.61 4.97 3.32 -0.97 -1.86 116.42 122.32 3hmi h ASP 467 Ca -0.06 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3hmi h ASP 467 Cb 1.53 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 3hmi h ASP 467 CO 0.15 0.61 0.39 0.58 -1.72 0.00 0.00 179.24 179.24 3hmi h VAL 468 N 1.05 1.10 -0.03 -1.35 2.07 -1.05 0.19 116.25 118.22 3hmi h VAL 468 Ca 0.34 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3hmi h VAL 468 Cb 0.03 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 3hmi h VAL 468 CO -0.12 0.14 -0.17 -0.25 0.02 0.00 0.00 177.57 177.19 3hmi h TRP 469 N 0.77 -0.43 -0.92 1.57 2.91 -1.17 -1.43 115.95 117.24 3hmi h TRP 469 Ca 0.24 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.38 3hmi h TRP 469 Cb -0.01 0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.76 3hmi h TRP 469 CO -0.05 -0.24 0.56 0.00 -1.03 0.00 0.00 178.44 177.68 3hmi h ALA 470 N 0.70 1.33 -0.73 2.65 0.00 -1.00 -2.24 119.26 119.97 3hmi h ALA 470 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hmi h ALA 470 Cb 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hmi h ALA 470 CO -0.18 0.21 0.45 0.35 0.00 0.00 0.00 179.25 180.08 3hmi h PHE 471 N 0.93 0.85 -0.95 0.00 3.57 0.11 -0.84 116.94 120.60 3hmi h PHE 471 Ca 0.44 0.02 0.11 0.00 3.53 0.00 0.00 57.97 62.07 3hmi h PHE 471 Cb 0.37 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3hmi h PHE 471 CO -0.03 0.47 0.59 0.78 -2.23 0.00 0.00 178.31 177.89 3hmi h GLY 472 N 0.87 1.54 0.93 2.40 0.00 -0.68 0.46 103.07 108.58 3hmi h GLY 472 Ca 0.30 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3hmi h GLY 472 CO -0.13 0.16 0.05 -2.08 0.00 0.00 0.00 176.54 174.55 3hmi h VAL 473 N 0.95 1.24 -0.67 4.60 2.07 -1.15 -1.65 116.25 121.64 3hmi h VAL 473 Ca 0.47 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hmi h VAL 473 Cb 0.43 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3hmi h VAL 473 CO -0.26 0.30 0.38 0.25 0.02 0.00 0.00 177.57 178.26 3hmi h LEU 474 N 0.49 0.56 -1.18 2.57 5.85 -0.84 -0.01 115.31 122.75 3hmi h LEU 474 Ca 0.12 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hmi h LEU 474 Cb 0.38 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3hmi h LEU 474 CO 0.01 0.37 0.55 0.25 -0.34 0.00 0.00 178.44 179.28 3hmi h LEU 475 N 0.70 0.96 -0.72 2.25 5.85 -0.62 0.44 115.31 124.17 3hmi h LEU 475 Ca 0.30 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 3hmi h LEU 475 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3hmi h LEU 475 CO -0.18 0.69 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.19 3hmi h TRP 476 N 1.13 0.90 -0.62 1.25 7.01 -0.48 -0.82 115.95 124.32 3hmi h TRP 476 Ca 0.31 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3hmi h TRP 476 Cb -0.13 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 3hmi h TRP 476 CO -0.00 0.91 0.27 0.93 -2.79 0.00 0.00 178.44 177.77 3hmi h GLU 477 N 0.71 0.90 -0.15 2.65 5.08 0.11 -1.62 114.58 122.27 3hmi h GLU 477 Ca 0.11 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hmi h GLU 477 Cb 0.68 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hmi h GLU 477 CO 0.05 0.74 0.05 0.82 -1.00 0.00 0.00 179.01 179.68 3hmi h ILE 478 N 0.85 1.17 -0.32 3.13 2.04 -0.79 0.31 117.51 123.90 3hmi h ILE 478 Ca 0.21 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3hmi h ILE 478 Cb 0.16 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3hmi h ILE 478 CO -0.02 0.16 0.22 0.00 0.00 0.00 0.00 178.15 178.50 3hmi h ALA 479 N 0.88 2.02 -0.52 1.87 0.00 -1.01 -2.59 119.26 119.92 3hmi h ALA 479 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmi h ALA 479 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hmi h ALA 479 CO -0.00 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.41 3hmi n THR 480 N -4.48 0.68 -3.04 0.00 -2.24 -0.62 -4.90 114.28 99.68 3hmi n THR 480 Ca 0.03 -0.84 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 3hmi n THR 480 Cb 0.23 0.81 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3hmi n THR 480 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hmi n TYR 481 N 1.56 -1.93 -0.89 4.78 4.02 -0.92 -3.74 117.16 120.03 3hmi n TYR 481 Ca 0.21 0.50 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 3hmi n TYR 481 Cb 0.62 -4.34 0.00 0.00 -0.02 0.00 0.00 39.34 35.60 3hmi n TYR 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hmi n GLY 482 N -1.48 1.14 3.80 2.72 0.00 0.10 -3.18 105.19 108.29 3hmi n GLY 482 Ca -0.11 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3hmi n GLY 482 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hmi s MET 483 N -2.03 2.52 0.01 1.61 -1.94 -1.25 -4.89 119.30 113.34 3hmi s MET 483 Ca 0.00 0.92 -0.24 0.00 -1.71 0.00 0.00 55.69 54.66 3hmi s MET 483 Cb 0.00 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 3hmi s MET 483 CO 0.00 -1.38 0.74 -1.12 -0.01 0.00 0.00 175.02 173.25 3hmi s SER 484 N -3.71 7.14 0.67 3.03 0.01 -1.26 -4.79 113.70 114.79 3hmi s SER 484 Ca 0.60 1.37 -0.14 0.00 1.31 0.00 0.00 55.95 59.08 3hmi s SER 484 Cb -0.15 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3hmi s SER 484 CO 0.55 -0.02 1.09 -2.16 0.41 0.00 0.00 173.24 173.11 3hmi s PRO 485 N 0.19 2.83 -1.33 12.44 0.04 -1.26 -3.89 135.00 144.03 3hmi s PRO 485 Ca 0.38 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 3hmi s PRO 485 Cb -0.20 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3hmi s PRO 485 CO 0.21 -1.21 0.51 0.66 0.04 0.00 0.00 177.00 177.21 3hmi n TYR 486 N -2.58 -1.65 -1.78 0.56 4.01 -1.26 -4.82 117.16 109.64 3hmi n TYR 486 Ca 0.10 0.57 -0.41 0.00 -0.16 0.00 0.00 57.90 57.99 3hmi n TYR 486 Cb 0.52 -3.46 -0.02 0.00 -0.31 0.00 0.00 39.34 36.08 3hmi n TYR 486 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3hmi s PRO 487 N -6.59 4.12 0.00 -0.72 0.04 -1.25 -1.80 135.00 128.81 3hmi s PRO 487 Ca 0.19 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.80 3hmi s PRO 487 Cb -0.08 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3hmi s PRO 487 CO 0.90 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.73 3hmi n GLY 488 N 2.11 1.43 3.66 0.56 0.00 -1.26 -5.02 105.19 106.68 3hmi n GLY 488 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3hmi n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmi s ILE 489 N -3.37 5.20 0.51 -0.61 -1.09 -0.74 -5.06 121.20 116.03 3hmi s ILE 489 Ca 0.00 0.66 -0.21 0.00 -2.23 0.00 0.00 60.65 58.87 3hmi s ILE 489 Cb 0.00 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 3hmi s ILE 489 CO 0.00 0.24 1.15 -1.81 -1.23 0.00 0.00 174.94 173.29 3hmi s ASP 490 N 1.13 5.91 0.46 3.58 1.01 -1.26 -4.91 116.67 122.59 3hmi s ASP 490 Ca 0.18 2.24 0.12 0.00 0.71 0.00 0.00 52.55 55.80 3hmi s ASP 490 Cb -0.15 -2.59 1.08 0.00 1.01 0.00 0.00 42.92 42.27 3hmi s ASP 490 CO 0.08 -1.09 2.09 -0.07 0.21 0.00 0.00 175.17 176.38 3hmi h LEU 491 N 1.56 0.24 -1.50 1.23 3.38 -1.98 -0.20 115.31 118.04 3hmi h LEU 491 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3hmi h LEU 491 Cb 1.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hmi h LEU 491 CO 0.58 0.17 0.00 0.28 0.09 0.00 0.00 178.44 179.56 3hmi h SER 492 N 0.28 0.00 -0.01 -0.43 0.02 -2.04 -3.03 113.55 108.34 3hmi h SER 492 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3hmi h SER 492 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hmi h SER 492 CO -0.02 0.00 -0.47 0.00 -1.14 0.00 0.00 176.83 175.19 3hmi n GLN 493 N -2.51 1.70 -0.10 3.45 3.00 -0.09 -4.62 117.38 118.20 3hmi n GLN 493 Ca -0.00 -0.55 -0.12 0.00 -0.01 0.00 0.00 57.00 56.31 3hmi n GLN 493 Cb 0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 30.24 29.06 3hmi n GLN 493 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3hmi h VAL 494 N 1.24 1.29 -0.03 5.09 2.07 -1.47 -1.57 116.25 122.86 3hmi h VAL 494 Ca 0.00 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3hmi h VAL 494 Cb 0.50 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hmi h VAL 494 CO 0.00 0.38 -0.01 0.22 0.02 0.00 0.00 177.57 178.18 3hmi h TYR 495 N 0.36 -0.02 -0.81 1.57 3.20 -1.82 -1.80 116.97 117.66 3hmi h TYR 495 Ca 0.07 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3hmi h TYR 495 Cb 0.63 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3hmi h TYR 495 CO 0.06 -0.01 0.50 -0.44 -1.64 0.00 0.00 178.16 176.62 3hmi h ASP 496 N 0.00 0.96 -0.11 -2.11 3.32 -1.82 0.25 116.42 116.91 3hmi h ASP 496 Ca 0.02 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3hmi h ASP 496 Cb 0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3hmi h ASP 496 CO -0.03 0.74 -0.09 0.25 -1.72 0.00 0.00 179.24 178.38 3hmi h LEU 497 N 1.11 -0.29 -0.42 1.55 5.85 -1.15 -1.65 115.31 120.31 3hmi h LEU 497 Ca 0.29 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 3hmi h LEU 497 Cb -0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hmi h LEU 497 CO -0.06 -0.13 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.83 3hmi h LEU 498 N -0.11 0.74 -0.94 2.25 3.38 -0.63 -2.34 115.31 117.66 3hmi h LEU 498 Ca 0.08 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hmi h LEU 498 Cb 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3hmi h LEU 498 CO -0.18 0.88 0.62 -0.08 0.09 0.00 0.00 178.44 179.77 3hmi h GLU 499 N 0.58 1.18 0.00 1.13 4.22 -0.40 -0.79 114.58 120.50 3hmi h GLU 499 Ca 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3hmi h GLU 499 Cb 0.51 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hmi h GLU 499 CO 0.03 0.78 0.00 1.63 -2.18 0.00 0.00 179.01 179.27 3hmi n LYS 500 N -4.47 0.84 -0.26 1.92 5.02 -0.63 -4.90 118.16 115.68 3hmi n LYS 500 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hmi n LYS 500 Cb 0.06 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hmi n LYS 500 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hmi n GLY 501 N 0.57 0.66 3.79 0.72 0.00 -0.30 -5.06 105.19 105.56 3hmi n GLY 501 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3hmi n GLY 501 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hmi s TYR 502 N -2.44 3.36 0.07 1.61 2.02 -0.89 -5.01 117.35 116.07 3hmi s TYR 502 Ca 0.00 1.67 -0.06 0.00 -0.37 0.00 0.00 57.07 58.31 3hmi s TYR 502 Cb 0.00 -3.04 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 3hmi s TYR 502 CO 0.00 -0.36 0.13 1.03 -1.57 0.00 0.00 175.55 174.77 3hmi s ARG 503 N -2.51 0.76 0.35 -0.62 1.81 -1.26 -4.20 118.95 113.28 3hmi s ARG 503 Ca 0.57 -1.01 -0.28 0.00 -1.72 0.00 0.00 55.73 53.29 3hmi s ARG 503 Cb -0.19 0.30 -0.12 0.00 -0.45 0.00 0.00 34.95 34.49 3hmi s ARG 503 CO 0.24 -0.22 1.43 -1.33 -0.68 0.00 0.00 175.30 174.74 3hmi n MET 504 N 0.05 2.47 -1.32 3.54 2.81 -1.26 -4.95 117.12 118.46 3hmi n MET 504 Ca -0.15 0.87 -0.30 0.00 -1.81 0.00 0.00 57.70 56.31 3hmi n MET 504 Cb 0.62 -2.55 0.12 0.00 -0.71 0.00 0.00 33.22 30.70 3hmi n MET 504 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3hmi s GLU 505 N -1.85 1.60 -0.08 0.03 -1.05 -1.26 -4.96 118.70 111.14 3hmi s GLU 505 Ca 0.55 0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 55.86 3hmi s GLU 505 Cb -0.51 -1.85 -0.05 0.00 -0.44 0.00 0.00 34.13 31.28 3hmi s GLU 505 CO 0.62 -1.99 1.57 -1.14 0.95 0.00 0.00 175.26 175.26 3hmi s GLN 506 N -5.00 4.19 0.61 -4.83 0.74 -1.26 -4.98 119.66 109.13 3hmi s GLN 506 Ca 0.62 2.07 -0.18 0.00 0.05 0.00 0.00 55.36 57.93 3hmi s GLN 506 Cb -0.17 -3.93 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 3hmi s GLN 506 CO 0.56 -0.81 1.18 -2.14 -0.55 0.00 0.00 175.29 173.53 3hmi s PRO 507 N 3.89 2.92 0.11 1.67 0.02 -1.26 -4.90 135.00 137.45 3hmi s PRO 507 Ca 0.69 1.72 -0.33 0.00 0.02 0.00 0.00 61.00 63.10 3hmi s PRO 507 Cb -0.31 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 3hmi s PRO 507 CO 0.26 -1.22 1.72 -0.85 -0.33 0.00 0.00 177.00 176.58 3hmi n GLU 508 N -1.78 2.40 -0.81 5.54 0.00 -1.26 -1.01 120.64 123.71 3hmi n GLU 508 Ca 0.13 0.87 0.00 0.00 0.00 0.00 0.00 57.16 58.16 3hmi n GLU 508 Cb 0.50 -2.69 0.00 0.00 0.00 0.00 0.00 31.44 29.25 3hmi n GLU 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hmi n GLY 509 N 3.88 1.03 3.67 -1.84 0.00 -1.26 -4.99 105.19 105.67 3hmi n GLY 509 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hmi n GLY 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmi n PRO 511 N 6.51 2.26 -0.29 0.00 -0.02 -1.26 -4.81 135.00 137.39 3hmi n PRO 511 Ca 0.16 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.61 3hmi n PRO 511 Cb 0.43 -2.53 0.45 0.00 -0.02 0.00 0.00 33.50 31.83 3hmi n PRO 511 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hmi h PRO 512 N 2.45 0.51 -0.27 0.52 0.13 -1.99 -1.25 132.00 132.10 3hmi h PRO 512 Ca -0.49 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 3hmi h PRO 512 Cb 1.27 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3hmi h PRO 512 CO 0.62 0.34 -0.22 -0.22 -0.23 0.00 0.00 178.00 178.28 3hmi h LYS 513 N 0.52 0.51 -0.17 0.86 1.63 -1.99 -0.20 116.57 117.74 3hmi h LYS 513 Ca 0.52 -0.19 -0.21 0.00 -0.85 0.00 0.00 60.65 59.93 3hmi h LYS 513 Cb 1.13 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3hmi h LYS 513 CO -0.26 0.70 -0.71 0.28 -3.45 0.00 0.00 179.45 176.02 3hmi h VAL 514 N 0.46 1.29 -0.66 2.00 2.07 -1.61 -2.52 116.25 117.28 3hmi h VAL 514 Ca 0.07 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 3hmi h VAL 514 Cb 0.64 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3hmi h VAL 514 CO 0.05 0.61 0.18 0.22 0.02 0.00 0.00 177.57 178.64 3hmi h TYR 515 N 0.50 1.09 -0.63 1.57 3.20 -1.22 -1.08 116.97 120.40 3hmi h TYR 515 Ca -0.04 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.76 3hmi h TYR 515 Cb 1.34 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 3hmi h TYR 515 CO 0.09 0.89 0.35 1.49 -1.64 0.00 0.00 178.16 179.35 3hmi h GLU 516 N 0.97 0.65 -0.27 1.82 4.81 -1.02 0.50 114.58 122.04 3hmi h GLU 516 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3hmi h GLU 516 Cb 0.34 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hmi h GLU 516 CO -0.00 0.43 0.16 1.25 -0.73 0.00 0.00 179.01 180.11 3hmi h LEU 517 N 0.67 0.33 -0.23 1.64 5.85 -1.16 0.08 115.31 122.49 3hmi h LEU 517 Ca 0.28 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3hmi h LEU 517 Cb 0.15 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3hmi h LEU 517 CO -0.16 0.30 -0.25 0.24 -0.34 0.00 0.00 178.44 178.23 3hmi h MET 518 N 0.33 -0.25 -0.48 1.25 2.86 -0.67 -1.36 114.93 116.61 3hmi h MET 518 Ca 0.10 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3hmi h MET 518 Cb 0.03 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3hmi h MET 518 CO -0.02 -0.17 0.32 0.00 1.06 0.00 0.00 176.91 178.10 3hmi h ARG 519 N -0.26 0.62 -0.60 1.72 2.47 -0.53 -1.71 114.38 116.09 3hmi h ARG 519 Ca 0.13 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 3hmi h ARG 519 Cb 0.46 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3hmi h ARG 519 CO -0.38 0.41 0.15 0.00 0.56 0.00 0.00 179.97 180.70 3hmi h ALA 520 N 1.70 0.79 0.00 0.04 0.00 -0.24 -2.41 119.26 119.14 3hmi h ALA 520 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hmi h ALA 520 Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3hmi h ALA 520 CO -0.04 0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 3hmi n TRP 522 N -3.85 2.20 -1.95 0.00 8.01 -0.88 -3.71 117.44 117.26 3hmi n TRP 522 Ca -0.02 -1.15 -0.38 0.00 -1.31 0.00 0.00 57.50 54.64 3hmi n TRP 522 Cb 0.21 -0.63 0.02 0.00 -2.01 0.00 0.00 31.31 28.91 3hmi n TRP 522 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3hmi s LYS 523 N -2.98 3.40 0.12 -0.99 -0.14 -1.05 -4.93 119.74 113.18 3hmi s LYS 523 Ca 0.53 2.09 -0.17 0.00 -1.36 0.00 0.00 55.97 57.07 3hmi s LYS 523 Cb 0.43 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 3hmi s LYS 523 CO 0.13 -0.93 1.68 2.35 -0.76 0.00 0.00 175.35 177.81 3hmi h TRP 524 N 1.75 0.51 -3.35 3.18 2.91 -1.92 -3.41 115.95 115.62 3hmi h TRP 524 Ca -0.50 -0.03 -0.58 0.00 1.13 0.00 0.00 58.89 58.91 3hmi h TRP 524 Cb 1.28 -0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 29.71 3hmi h TRP 524 CO 0.49 0.47 0.24 -1.12 -1.03 0.00 0.00 178.44 177.49 3hmi s SER 525 N -5.76 6.92 0.36 2.65 0.01 -1.26 -4.91 113.70 111.70 3hmi s SER 525 Ca -0.13 1.12 0.09 0.00 1.31 0.00 0.00 55.95 58.33 3hmi s SER 525 Cb 0.09 -2.42 0.82 0.00 0.21 0.00 0.00 66.02 64.72 3hmi s SER 525 CO 0.74 -0.28 1.89 -0.65 0.41 0.00 0.00 173.24 175.34 3hmi h PRO 526 N 7.18 0.67 0.00 12.44 0.11 -1.95 -0.60 132.00 149.85 3hmi h PRO 526 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3hmi h PRO 526 Cb 1.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hmi h PRO 526 CO 0.80 0.44 -0.14 0.00 -0.21 0.00 0.00 178.00 178.89 3hmi h ALA 527 N 1.60 1.43 0.00 -0.75 0.00 -1.95 -1.56 119.26 118.03 3hmi h ALA 527 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hmi h ALA 527 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hmi h ALA 527 CO -0.18 0.17 -0.05 -0.25 0.00 0.00 0.00 179.25 178.94 3hmi n ASP 528 N -3.88 0.31 -4.79 0.00 8.00 -0.24 -4.86 116.55 111.10 3hmi n ASP 528 Ca -0.02 0.47 -0.36 0.00 0.71 0.00 0.00 54.79 55.59 3hmi n ASP 528 Cb 0.23 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 3hmi n ASP 528 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hmi s ARG 529 N -3.04 4.22 0.87 -1.24 0.52 -0.59 -4.92 118.95 114.77 3hmi s ARG 529 Ca 0.13 1.42 -0.10 0.00 -0.52 0.00 0.00 55.73 56.65 3hmi s ARG 529 Cb 0.17 -2.51 0.12 0.00 0.52 0.00 0.00 34.95 33.24 3hmi s ARG 529 CO 0.57 -0.07 1.12 -1.25 0.02 0.00 0.00 175.30 175.68 3hmi s PRO 530 N -2.56 1.44 0.85 3.54 0.04 -1.26 -5.03 135.00 132.02 3hmi s PRO 530 Ca 0.58 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 3hmi s PRO 530 Cb -0.19 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.66 3hmi s PRO 530 CO 0.24 -2.27 1.10 -1.54 0.04 0.00 0.00 177.00 174.58 3hmi s SER 531 N -2.99 3.99 0.25 6.66 1.04 -1.26 -4.91 113.70 116.47 3hmi s SER 531 Ca 0.64 1.28 0.09 0.00 0.48 0.00 0.00 55.95 58.45 3hmi s SER 531 Cb -0.20 -1.97 0.29 0.00 0.10 0.00 0.00 66.02 64.23 3hmi s SER 531 CO 0.57 -2.29 1.57 -0.26 0.98 0.00 0.00 173.24 173.82 3hmi h PHE 532 N -1.31 0.04 -0.35 5.02 0.04 -1.94 -1.09 116.94 117.35 3hmi h PHE 532 Ca -0.49 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.34 3hmi h PHE 532 Cb 1.29 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.37 3hmi h PHE 532 CO 0.42 0.68 -0.05 0.00 -0.60 0.00 0.00 178.31 178.75 3hmi h ALA 533 N 1.32 0.27 -0.56 2.45 0.00 -1.89 0.52 119.26 121.38 3hmi h ALA 533 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hmi h ALA 533 Cb 1.17 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3hmi h ALA 533 CO 0.09 -0.44 0.24 0.93 0.00 0.00 0.00 179.25 180.07 3hmi h GLU 534 N 0.04 0.82 -0.47 0.00 5.08 -1.90 -2.18 114.58 115.97 3hmi h GLU 534 Ca 0.17 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hmi h GLU 534 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hmi h GLU 534 CO -0.33 0.70 0.24 1.15 -1.00 0.00 0.00 179.01 179.77 3hmi h THR 535 N 0.76 1.18 -0.14 1.13 2.02 -0.94 -0.44 112.91 116.47 3hmi h THR 535 Ca 0.19 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hmi h THR 535 Cb 0.18 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3hmi h THR 535 CO -0.02 0.19 0.06 -0.74 0.37 0.00 0.00 175.52 175.38 3hmi h HIS 536 N 0.61 0.22 -0.70 3.16 -0.00 -0.82 -2.19 115.15 115.43 3hmi h HIS 536 Ca 0.16 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.67 3hmi h HIS 536 Cb 0.09 -0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 27.33 3hmi h HIS 536 CO -0.01 0.28 0.14 0.37 -0.00 0.00 0.00 177.93 178.71 3hmi h GLN 537 N 0.09 0.24 -0.65 5.26 5.75 -1.31 -0.53 115.11 123.95 3hmi h GLN 537 Ca 0.05 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3hmi h GLN 537 Cb 0.15 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3hmi h GLN 537 CO -0.00 0.16 0.41 0.00 -2.65 0.00 0.00 178.83 176.74 3hmi h ALA 538 N 1.59 0.85 -0.55 3.38 0.00 -0.53 -0.19 119.26 123.80 3hmi h ALA 538 Ca 0.39 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 3hmi h ALA 538 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hmi h ALA 538 CO -0.50 0.16 -0.10 0.74 0.00 0.00 0.00 179.25 179.56 3hmi h PHE 539 N 0.80 1.15 -0.02 0.00 0.04 -0.84 -0.67 116.94 117.41 3hmi h PHE 539 Ca 0.26 -0.23 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3hmi h PHE 539 Cb 0.02 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 3hmi h PHE 539 CO -0.05 1.06 -0.02 0.93 -0.60 0.00 0.00 178.31 179.63 3hmi h GLU 540 N 0.92 -0.02 -0.92 1.51 5.08 -0.73 -2.74 114.58 117.67 3hmi h GLU 540 Ca 0.15 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3hmi h GLU 540 Cb 0.66 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3hmi h GLU 540 CO 0.05 -0.02 0.60 1.15 -1.00 0.00 0.00 179.01 179.79 3hmi h THR 541 N -0.03 1.10 -0.61 1.13 2.02 -0.86 -2.15 112.91 113.51 3hmi h THR 541 Ca 0.01 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.85 3hmi h THR 541 Cb 0.05 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.33 3hmi h THR 541 CO -0.03 0.20 0.40 0.24 0.37 0.00 0.00 175.52 176.70 3hmi h MET 542 N 1.09 0.70 -0.83 6.66 2.86 -0.83 -0.15 114.93 124.43 3hmi h MET 542 Ca 0.39 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 3hmi h MET 542 Cb 0.13 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3hmi h MET 542 CO -0.14 0.46 0.41 0.35 1.06 0.00 0.00 176.91 179.05 3hmi h PHE 543 N 0.72 1.19 0.03 -0.22 3.04 -1.13 -2.49 116.94 118.08 3hmi h PHE 543 Ca 0.24 -0.06 -0.21 0.00 3.98 0.00 0.00 57.97 61.92 3hmi h PHE 543 Cb 0.07 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 3hmi h PHE 543 CO -0.00 0.86 -0.98 0.45 -2.02 0.00 0.00 178.31 176.62 3hmi h HIS 544 N 1.18 0.24 0.00 0.41 -0.00 -1.22 -3.01 115.15 112.74 3hmi h HIS 544 Ca 0.29 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3hmi h HIS 544 Cb 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3hmi h HIS 544 CO 0.01 1.03 0.00 -0.25 -0.00 0.00 0.00 177.93 178.72 3hmi n ASP 545 N -3.55 0.47 -0.12 2.45 8.00 -0.16 -5.13 116.55 118.51 3hmi n ASP 545 Ca -0.03 0.61 0.16 0.00 0.71 0.00 0.00 54.79 56.23 3hmi n ASP 545 Cb 0.88 -0.71 0.84 0.00 -0.02 0.00 0.00 41.12 42.12 3hmi n ASP 545 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27