#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa s THR 302 N 0.00 0.31 -0.07 12.58 2.01 -1.26 -0.37 115.64 128.84 3hfa s THR 302 Ca 0.00 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3hfa s THR 302 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3hfa s THR 302 CO 0.00 0.13 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.31 3hfa s ILE 303 N 0.44 1.16 0.20 1.82 1.01 -0.30 -2.34 121.20 123.18 3hfa s ILE 303 Ca -0.05 -0.48 0.11 0.00 0.00 0.00 0.00 60.65 60.23 3hfa s ILE 303 Cb -0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3hfa s ILE 303 CO -0.01 0.36 -0.23 0.68 0.00 0.00 0.00 174.94 175.75 3hfa s VAL 304 N 0.74 2.30 -0.08 2.92 -7.23 0.01 -1.04 120.40 118.02 3hfa s VAL 304 Ca -0.13 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 57.88 3hfa s VAL 304 Cb -0.16 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.70 3hfa s VAL 304 CO 0.03 -0.17 0.26 0.00 -0.31 0.00 0.00 175.10 174.91 3hfa s ALA 305 N -1.80 -0.64 -0.02 1.32 0.00 -0.55 -1.11 121.76 118.95 3hfa s ALA 305 Ca 0.21 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 3hfa s ALA 305 Cb -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.77 3hfa s ALA 305 CO 0.10 -0.16 0.33 -0.48 0.00 0.00 0.00 175.76 175.55 3hfa s LEU 306 N -0.25 0.77 -0.01 0.00 0.05 -0.37 -1.13 118.68 117.74 3hfa s LEU 306 Ca -0.04 0.14 -0.18 0.00 0.05 0.00 0.00 54.13 54.10 3hfa s LEU 306 Cb -0.03 1.32 -0.06 0.00 -2.05 0.00 0.00 46.19 45.38 3hfa s LEU 306 CO 0.01 -0.44 0.50 -0.54 -0.55 0.00 0.00 176.35 175.33 3hfa s LYS 307 N -1.26 4.17 0.28 1.48 1.02 0.47 -1.16 119.74 124.74 3hfa s LYS 307 Ca -0.13 0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.48 3hfa s LYS 307 Cb -0.05 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 3hfa s LYS 307 CO 0.04 0.49 -0.01 1.52 -0.92 0.00 0.00 175.35 176.48 3hfa s TYR 308 N -0.52 1.88 -0.21 3.18 -0.85 -0.62 -4.94 117.35 115.27 3hfa s TYR 308 Ca 0.27 -0.82 -0.28 0.00 -0.52 0.00 0.00 57.07 55.72 3hfa s TYR 308 Cb -0.17 -1.13 -0.05 0.00 0.38 0.00 0.00 41.96 40.98 3hfa s TYR 308 CO 0.15 0.14 2.22 -2.30 -1.52 0.00 0.00 175.55 174.24 3hfa n PRO 309 N -0.58 1.98 0.00 -3.49 -0.02 -1.26 -1.47 135.00 130.15 3hfa n PRO 309 Ca -0.04 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3hfa n PRO 309 Cb 0.64 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 3hfa n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfa n GLY 310 N 5.75 0.32 0.00 -1.23 0.00 0.34 -4.72 105.19 105.65 3hfa n GLY 310 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3hfa n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 311 N -1.76 1.28 3.14 -0.02 0.00 -0.54 -4.16 105.19 103.14 3hfa n GLY 311 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3hfa n GLY 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 312 N -2.21 0.11 0.01 1.61 0.11 -0.28 -1.58 120.40 118.17 3hfa s VAL 312 Ca 0.00 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3hfa s VAL 312 Cb 0.00 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3hfa s VAL 312 CO 0.00 -0.51 -0.11 0.54 -3.33 0.00 0.00 175.10 171.69 3hfa s VAL 313 N -2.34 0.87 -0.02 2.04 0.11 -0.30 -0.95 120.40 119.81 3hfa s VAL 313 Ca -0.07 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 3hfa s VAL 313 Cb -0.02 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3hfa s VAL 313 CO -0.03 0.14 -0.10 -0.32 -3.33 0.00 0.00 175.10 171.46 3hfa s MET 314 N -0.54 1.01 0.02 1.54 1.75 -0.14 -1.24 119.30 121.71 3hfa s MET 314 Ca 0.03 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 3hfa s MET 314 Cb -0.05 -0.95 -0.02 0.00 2.84 0.00 0.00 34.83 36.65 3hfa s MET 314 CO 0.00 0.16 -0.03 0.00 -0.65 0.00 0.00 175.02 174.50 3hfa s ALA 315 N 0.05 0.13 0.03 4.11 0.00 -0.27 -0.32 121.76 125.49 3hfa s ALA 315 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 3hfa s ALA 315 Cb -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3hfa s ALA 315 CO 0.00 -0.12 0.03 0.20 0.00 0.00 0.00 175.76 175.87 3hfa s GLY 316 N -1.20 0.24 0.42 0.00 0.00 -0.28 -0.81 107.32 105.69 3hfa s GLY 316 Ca -0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3hfa s GLY 316 CO -0.01 -0.77 0.57 2.09 0.00 0.00 0.00 173.10 174.98 3hfa n ASP 317 N 0.96 0.16 0.00 1.64 5.75 -0.99 -1.79 116.55 122.29 3hfa n ASP 317 Ca -0.20 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 3hfa n ASP 317 Cb 0.58 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3hfa n ASP 317 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hfa n ARG 318 N -2.18 0.11 -3.33 0.11 5.12 -1.26 -4.51 116.66 110.73 3hfa n ARG 318 Ca 0.07 -0.68 -0.35 0.00 -1.93 0.00 0.00 57.85 54.96 3hfa n ARG 318 Cb 0.26 -0.92 -0.06 0.00 -1.16 0.00 0.00 32.46 30.58 3hfa n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hfa s ARG 319 N -0.24 4.01 0.03 5.56 3.52 -1.26 -1.50 118.95 129.07 3hfa s ARG 319 Ca 0.00 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 3hfa s ARG 319 Cb 0.00 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3hfa s ARG 319 CO 0.00 0.47 -0.13 -1.54 -0.81 0.00 0.00 175.30 173.30 3hfa s SER 320 N -1.70 1.49 0.09 -2.12 1.04 -0.68 -4.67 113.70 107.15 3hfa s SER 320 Ca 0.38 -0.40 0.07 0.00 0.48 0.00 0.00 55.95 56.47 3hfa s SER 320 Cb -0.15 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 3hfa s SER 320 CO 0.19 0.03 -0.18 0.42 0.98 0.00 0.00 173.24 174.69 3hfa s THR 321 N -0.76 1.43 -0.43 2.02 -4.23 -1.26 -0.22 115.64 112.19 3hfa s THR 321 Ca 0.01 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 3hfa s THR 321 Cb -0.07 -1.35 0.12 0.00 1.34 0.00 0.00 72.50 72.53 3hfa s THR 321 CO 0.01 -0.16 0.16 -1.58 -0.54 0.00 0.00 174.62 172.51 3hfa s GLN 322 N -1.90 1.77 7.82 3.99 0.74 0.39 -4.83 119.66 127.64 3hfa s GLN 322 Ca 0.03 -2.17 0.00 0.00 0.05 0.00 0.00 55.36 53.27 3hfa s GLN 322 Cb -0.10 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.69 3hfa s GLN 322 CO 0.03 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 3hfa n GLY 323 N 3.85 3.35 0.16 2.59 0.00 -1.26 -2.12 105.19 111.75 3hfa n GLY 323 Ca 0.04 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.04 3hfa n GLY 323 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hfa h ASN 324 N 0.00 0.00 -3.48 1.61 2.35 -2.02 -3.47 115.58 110.57 3hfa h ASN 324 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3hfa h ASN 324 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hfa h ASN 324 CO 0.00 0.07 0.46 -0.04 -1.65 0.00 0.00 177.43 176.28 3hfa s MET 325 N -3.24 4.58 -0.25 0.81 -1.94 -0.90 -4.98 119.30 113.37 3hfa s MET 325 Ca 0.03 1.66 -0.29 0.00 -1.71 0.00 0.00 55.69 55.38 3hfa s MET 325 Cb 0.07 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 3hfa s MET 325 CO 0.74 0.02 1.30 0.42 -0.01 0.00 0.00 175.02 177.49 3hfa s ILE 326 N 0.17 4.17 -1.01 2.53 1.01 -1.26 -0.47 121.20 126.34 3hfa s ILE 326 Ca 0.51 1.36 0.14 0.00 0.00 0.00 0.00 60.65 62.66 3hfa s ILE 326 Cb -0.28 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 3hfa s ILE 326 CO 0.32 -0.34 0.70 -1.54 0.00 0.00 0.00 174.94 174.08 3hfa n SER 327 N 7.30 1.10 -3.57 3.58 3.41 0.69 -4.90 113.62 121.22 3hfa n SER 327 Ca 0.15 -1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 57.57 3hfa n SER 327 Cb 0.46 0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 3hfa n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hfa s GLY 328 N -2.06 -0.41 0.00 5.00 0.00 -0.93 -4.90 107.32 104.02 3hfa s GLY 328 Ca 0.09 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.65 3hfa s GLY 328 CO 0.48 1.21 0.27 0.54 0.00 0.00 0.00 173.10 175.59 3hfa n ARG 329 N 1.27 1.19 -0.44 2.90 1.74 -1.25 -1.68 116.66 120.39 3hfa n ARG 329 Ca -0.14 -0.27 0.02 0.00 -0.77 0.00 0.00 57.85 56.68 3hfa n ARG 329 Cb 0.57 -0.74 0.02 0.00 -1.02 0.00 0.00 32.46 31.30 3hfa n ARG 329 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hfa n ASP 330 N -0.25 0.39 -4.74 0.55 5.68 -0.97 -4.64 116.55 112.57 3hfa n ASP 330 Ca 0.00 -2.18 -0.42 0.00 -0.50 0.00 0.00 54.79 51.69 3hfa n ASP 330 Cb 0.04 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 3hfa n ASP 330 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hfa n VAL 331 N -0.23 0.58 -3.73 2.12 0.31 -0.56 -4.98 118.33 111.84 3hfa n VAL 331 Ca 0.03 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 3hfa n VAL 331 Cb 0.69 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 3hfa n VAL 331 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hfa s ARG 332 N 0.22 3.91 0.00 5.55 0.52 -1.26 -4.22 118.95 123.67 3hfa s ARG 332 Ca 0.69 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 3hfa s ARG 332 Cb -0.49 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.52 3hfa s ARG 332 CO 0.41 -0.04 0.43 1.63 0.02 0.00 0.00 175.30 177.76 3hfa n LYS 333 N 4.55 1.96 -4.02 3.54 5.02 -1.26 -4.95 118.16 123.00 3hfa n LYS 333 Ca -0.15 -0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 55.36 3hfa n LYS 333 Cb 0.52 -0.91 -0.15 0.00 -0.02 0.00 0.00 35.03 34.47 3hfa n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hfa s VAL 334 N -0.68 2.62 -0.06 -0.18 1.01 -1.26 -2.47 120.40 119.37 3hfa s VAL 334 Ca 0.03 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3hfa s VAL 334 Cb 0.03 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3hfa s VAL 334 CO 0.08 0.35 -0.24 -0.31 0.00 0.00 0.00 175.10 174.98 3hfa s TYR 335 N 1.33 2.39 -0.16 5.22 2.02 0.22 -4.96 117.35 123.41 3hfa s TYR 335 Ca 0.02 -0.73 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 3hfa s TYR 335 Cb -0.15 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3hfa s TYR 335 CO -0.07 -0.23 1.38 0.42 -1.57 0.00 0.00 175.55 175.48 3hfa s ILE 336 N -0.11 4.07 -0.08 2.71 1.01 -1.26 -0.21 121.20 127.33 3hfa s ILE 336 Ca -0.05 1.27 0.18 0.00 0.00 0.00 0.00 60.65 62.06 3hfa s ILE 336 Cb -0.14 -3.88 -0.27 0.00 0.01 0.00 0.00 42.46 38.18 3hfa s ILE 336 CO 0.04 -0.17 0.30 0.35 0.00 0.00 0.00 174.94 175.46 3hfa n THR 337 N 5.58 0.40 -3.11 2.92 -2.24 -0.61 -4.95 114.28 112.27 3hfa n THR 337 Ca 0.15 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3hfa n THR 337 Cb 0.45 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3hfa n THR 337 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hfa n ASP 338 N -2.33 0.00 0.30 3.42 5.68 -1.17 -4.46 116.55 117.98 3hfa n ASP 338 Ca -0.12 -0.99 0.17 0.00 -0.50 0.00 0.00 54.79 53.35 3hfa n ASP 338 Cb 0.69 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.63 3hfa n ASP 338 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hfa h ASP 339 N 0.00 0.00 0.00 -1.12 3.32 -1.95 -3.06 116.42 113.60 3hfa h ASP 339 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hfa h ASP 339 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hfa h ASP 339 CO 0.00 0.00 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.09 3hfa n TYR 340 N -3.69 0.00 -3.95 4.55 4.01 -1.26 0.21 117.16 117.03 3hfa n TYR 340 Ca -0.03 -0.42 -0.10 0.00 -0.16 0.00 0.00 57.90 57.20 3hfa n TYR 340 Cb 0.11 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.95 3hfa n TYR 340 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hfa s THR 341 N -1.15 0.11 0.03 -0.72 -4.23 -1.16 -1.09 115.64 107.43 3hfa s THR 341 Ca 0.12 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3hfa s THR 341 Cb 0.10 -0.49 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 3hfa s THR 341 CO 0.01 -0.52 -0.07 0.00 -0.54 0.00 0.00 174.62 173.50 3hfa s ALA 342 N -1.79 0.50 -0.09 3.99 0.00 0.60 -1.58 121.76 123.39 3hfa s ALA 342 Ca -0.12 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3hfa s ALA 342 Cb -0.07 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hfa s ALA 342 CO -0.01 -0.01 -0.19 0.99 0.00 0.00 0.00 175.76 176.53 3hfa s THR 343 N -1.17 1.69 -0.09 0.00 2.01 0.71 -1.24 115.64 117.55 3hfa s THR 343 Ca -0.09 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3hfa s THR 343 Cb -0.09 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3hfa s THR 343 CO 0.00 0.48 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.46 3hfa s GLY 344 N 0.57 1.56 -0.07 4.40 0.00 -0.46 -0.61 107.32 112.71 3hfa s GLY 344 Ca -0.15 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3hfa s GLY 344 CO 0.05 -0.48 -0.09 -0.42 0.00 0.00 0.00 173.10 172.16 3hfa s ILE 345 N -0.23 0.93 -0.01 0.90 1.01 -1.03 0.63 121.20 123.40 3hfa s ILE 345 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3hfa s ILE 345 Cb -0.13 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3hfa s ILE 345 CO 0.03 0.32 -0.02 0.00 0.00 0.00 0.00 174.94 175.27 3hfa s ALA 346 N 0.95 3.20 0.00 9.38 0.00 -0.70 -4.95 121.76 129.65 3hfa s ALA 346 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3hfa s ALA 346 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3hfa s ALA 346 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3hfa n GLY 347 N 1.49 0.37 3.69 0.00 0.00 -1.26 -0.55 105.19 108.92 3hfa n GLY 347 Ca -0.15 -2.20 -0.56 0.00 0.00 0.00 0.00 46.02 43.10 3hfa n GLY 347 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hfa n THR 348 N 0.00 0.33 -0.04 2.61 -1.04 -0.05 -4.83 114.28 111.26 3hfa n THR 348 Ca 0.00 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 3hfa n THR 348 Cb 0.00 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 3hfa n THR 348 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfa h ALA 349 N 7.79 -0.27 -0.86 2.41 0.00 -1.96 -0.15 119.26 126.22 3hfa h ALA 349 Ca -0.45 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.62 3hfa h ALA 349 Cb 1.31 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.64 3hfa h ALA 349 CO 0.97 -0.75 0.49 0.00 0.00 0.00 0.00 179.25 179.96 3hfa h ALA 350 N 0.60 1.24 -0.30 0.00 0.00 -2.01 -1.45 119.26 117.33 3hfa h ALA 350 Ca 0.12 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 350 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hfa h ALA 350 CO -0.41 0.11 -0.40 0.28 0.00 0.00 0.00 179.25 178.83 3hfa h VAL 351 N 0.81 1.29 -0.21 0.00 2.07 -1.74 -2.80 116.25 115.66 3hfa h VAL 351 Ca 0.42 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.37 3hfa h VAL 351 Cb 0.40 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hfa h VAL 351 CO -0.26 0.51 0.12 0.00 0.02 0.00 0.00 177.57 177.96 3hfa h ALA 352 N 0.70 0.26 -0.44 1.67 0.00 -0.31 -0.63 119.26 120.51 3hfa h ALA 352 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 352 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hfa h ALA 352 CO 0.09 -0.29 0.19 0.28 0.00 0.00 0.00 179.25 179.52 3hfa h VAL 353 N 0.24 1.20 -0.37 0.00 2.07 -1.34 -2.09 116.25 115.97 3hfa h VAL 353 Ca 0.08 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3hfa h VAL 353 Cb 0.01 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3hfa h VAL 353 CO -0.05 0.22 -0.05 -0.33 0.02 0.00 0.00 177.57 177.38 3hfa h GLU 354 N 0.57 0.04 0.37 1.57 5.08 -1.23 -1.09 114.58 119.89 3hfa h GLU 354 Ca 0.15 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hfa h GLU 354 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3hfa h GLU 354 CO -0.01 0.03 -0.41 0.74 -1.00 0.00 0.00 179.01 178.35 3hfa h PHE 355 N 0.05 -1.13 -0.59 4.33 0.04 -0.74 0.96 116.94 119.86 3hfa h PHE 355 Ca 0.18 0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.00 3hfa h PHE 355 Cb 0.26 0.44 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 3hfa h PHE 355 CO -0.30 -0.56 0.34 0.00 -0.60 0.00 0.00 178.31 177.20 3hfa h ALA 356 N -0.45 0.77 0.08 2.45 0.00 -1.20 0.17 119.26 121.08 3hfa h ALA 356 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 356 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hfa h ALA 356 CO -0.09 0.04 -0.04 -0.09 0.00 0.00 0.00 179.25 179.08 3hfa h ARG 357 N 0.66 -0.11 -0.60 0.00 2.43 -1.01 -2.36 114.38 113.40 3hfa h ARG 357 Ca 0.25 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 3hfa h ARG 357 Cb 0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3hfa h ARG 357 CO -0.13 0.30 0.04 1.25 -1.51 0.00 0.00 179.97 179.92 3hfa h LEU 358 N -0.54 0.97 -0.31 3.80 5.85 -0.67 -2.09 115.31 122.32 3hfa h LEU 358 Ca -0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3hfa h LEU 358 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3hfa h LEU 358 CO 0.02 1.00 0.14 0.22 -0.34 0.00 0.00 178.44 179.48 3hfa h TYR 359 N 0.93 0.45 -0.88 1.25 3.20 -0.69 0.95 116.97 122.17 3hfa h TYR 359 Ca 0.18 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3hfa h TYR 359 Cb 0.48 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3hfa h TYR 359 CO 0.03 0.42 0.46 0.00 -1.64 0.00 0.00 178.16 177.43 3hfa h ALA 360 N 0.99 1.13 -0.39 1.82 0.00 -1.30 -0.70 119.26 120.80 3hfa h ALA 360 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 360 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hfa h ALA 360 CO -0.01 0.66 0.21 0.28 0.00 0.00 0.00 179.25 180.39 3hfa h VAL 361 N 1.24 1.15 -0.62 0.00 2.07 -1.05 -2.65 116.25 116.40 3hfa h VAL 361 Ca 0.31 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3hfa h VAL 361 Cb 0.06 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hfa h VAL 361 CO -0.05 0.16 0.33 -0.08 0.02 0.00 0.00 177.57 177.95 3hfa h GLU 362 N 0.50 0.87 -0.15 1.57 4.81 -0.24 0.10 114.58 122.05 3hfa h GLU 362 Ca 0.14 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3hfa h GLU 362 Cb 0.06 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 362 CO -0.02 0.67 0.08 -0.07 -0.73 0.00 0.00 179.01 178.94 3hfa h LEU 363 N 0.84 0.12 -0.80 1.64 4.07 -1.08 -1.75 115.31 118.35 3hfa h LEU 363 Ca 0.22 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.05 3hfa h LEU 363 Cb 0.07 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 3hfa h LEU 363 CO -0.03 0.09 -0.59 -0.08 -1.08 0.00 0.00 178.44 176.74 3hfa h GLU 364 N 0.16 0.02 -0.23 1.13 4.81 -1.29 -2.56 114.58 116.62 3hfa h GLU 364 Ca 0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hfa h GLU 364 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3hfa h GLU 364 CO -0.04 0.61 0.14 1.25 -0.73 0.00 0.00 179.01 180.24 3hfa h HIS 365 N 0.01 0.30 -0.19 0.92 2.76 -0.54 -0.30 115.15 118.11 3hfa h HIS 365 Ca -0.01 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3hfa h HIS 365 Cb 1.05 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 3hfa h HIS 365 CO 0.00 0.22 0.09 -0.92 -1.30 0.00 0.00 177.93 176.03 3hfa h TYR 366 N 0.29 0.17 -0.61 5.26 3.20 -1.20 -1.15 116.97 122.92 3hfa h TYR 366 Ca 0.08 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.03 3hfa h TYR 366 Cb 0.01 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3hfa h TYR 366 CO -0.05 0.10 0.31 1.49 -1.64 0.00 0.00 178.16 178.37 3hfa h GLU 367 N 0.20 0.55 0.00 1.82 4.81 -1.20 0.17 114.58 120.94 3hfa h GLU 367 Ca 0.08 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 3hfa h GLU 367 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 367 CO -0.05 0.36 -0.54 0.87 -0.73 0.00 0.00 179.01 178.92 3hfa h LYS 368 N 0.57 0.00 0.13 1.92 1.57 -0.86 0.21 116.57 120.11 3hfa h LYS 368 Ca 0.28 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.79 3hfa h LYS 368 Cb 0.23 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.57 3hfa h LYS 368 CO -0.21 0.54 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.00 3hfa h LEU 369 N 0.00 0.77 -0.24 2.94 3.38 -0.67 -3.39 115.31 118.10 3hfa h LEU 369 Ca -0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3hfa h LEU 369 Cb 1.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hfa h LEU 369 CO 0.07 1.55 -0.63 -0.62 0.09 0.00 0.00 178.44 178.90 3hfa n GLU 370 N -3.89 1.80 -0.12 1.13 -0.58 0.56 -4.98 120.64 114.56 3hfa n GLU 370 Ca -0.14 -0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 3hfa n GLU 370 Cb 0.94 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.56 3hfa n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfa n GLY 371 N 1.31 2.25 3.00 0.62 0.00 0.73 -4.98 105.19 108.12 3hfa n GLY 371 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -2.95 0.15 0.60 1.61 0.11 -1.20 -4.97 120.40 113.76 3hfa s VAL 372 Ca 0.00 -1.06 -0.15 0.00 -2.93 0.00 0.00 61.98 57.84 3hfa s VAL 372 Cb 0.00 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3hfa s VAL 372 CO 0.00 -0.57 1.05 -2.84 -3.33 0.00 0.00 175.10 169.41 3hfa s PRO 373 N -1.85 3.31 0.56 1.54 0.02 -1.26 -3.97 135.00 133.35 3hfa s PRO 373 Ca -0.12 1.16 -0.20 0.00 0.02 0.00 0.00 61.00 61.86 3hfa s PRO 373 Cb -0.07 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3hfa s PRO 373 CO -0.02 -0.82 1.04 1.28 -0.33 0.00 0.00 177.00 178.15 3hfa n LEU 374 N -2.13 3.82 -4.66 -5.54 4.32 -1.26 -5.00 117.00 106.56 3hfa n LEU 374 Ca 0.08 0.88 -0.30 0.00 -0.02 0.00 0.00 56.01 56.65 3hfa n LEU 374 Cb 0.53 -1.42 0.17 0.00 -1.62 0.00 0.00 43.42 41.08 3hfa n LEU 374 CO 0.48 -1.56 0.64 0.42 -1.22 0.00 0.00 177.39 176.15 3hfa s THR 375 N -1.43 2.40 0.22 -5.08 -4.23 -1.26 -4.78 115.64 101.48 3hfa s THR 375 Ca 0.73 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.28 3hfa s THR 375 Cb -0.44 -2.38 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3hfa s THR 375 CO 0.49 -0.17 1.87 0.15 -0.54 0.00 0.00 174.62 176.42 3hfa h PHE 376 N -1.86 1.12 -0.50 3.99 3.57 -1.98 -0.95 116.94 120.33 3hfa h PHE 376 Ca -0.50 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.08 3hfa h PHE 376 Cb 1.29 -0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 3hfa h PHE 376 CO 0.42 0.74 0.11 0.00 -2.23 0.00 0.00 178.31 177.36 3hfa h ALA 377 N 1.28 0.58 -0.66 2.41 0.00 -2.00 -0.77 119.26 120.10 3hfa h ALA 377 Ca 0.31 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.37 3hfa h ALA 377 Cb -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3hfa h ALA 377 CO -0.06 -0.29 0.37 0.78 0.00 0.00 0.00 179.25 180.05 3hfa h GLY 378 N 0.26 0.97 0.93 0.00 0.00 -1.70 -0.45 103.07 103.06 3hfa h GLY 378 Ca 0.25 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3hfa h GLY 378 CO -0.32 0.17 0.49 0.50 0.00 0.00 0.00 176.54 177.39 3hfa h LYS 379 N 0.70 0.95 -0.10 4.80 1.57 -0.29 -1.26 116.57 122.93 3hfa h LYS 379 Ca 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3hfa h LYS 379 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hfa h LYS 379 CO -0.17 0.63 0.07 0.82 -0.57 0.00 0.00 179.45 180.23 3hfa h ILE 380 N 0.98 1.03 -0.58 1.86 2.04 -0.63 -2.46 117.51 119.74 3hfa h ILE 380 Ca 0.29 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.11 3hfa h ILE 380 Cb -0.04 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3hfa h ILE 380 CO -0.09 0.03 0.37 -1.13 0.00 0.00 0.00 178.15 177.33 3hfa h ASN 381 N 0.13 0.62 -0.67 1.72 -1.24 -0.62 -0.65 115.58 114.88 3hfa h ASN 381 Ca 0.04 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 3hfa h ASN 381 Cb -0.01 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 3hfa h ASN 381 CO -0.01 0.44 0.26 0.03 -1.29 0.00 0.00 177.43 176.86 3hfa h ARG 382 N 0.74 1.00 -0.61 6.67 2.47 -1.18 -0.07 114.38 123.40 3hfa h ARG 382 Ca 0.23 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 3hfa h ARG 382 Cb -0.03 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 3hfa h ARG 382 CO -0.08 0.84 0.14 1.25 0.56 0.00 0.00 179.97 182.69 3hfa h LEU 383 N 0.95 0.93 -0.49 3.04 5.85 -1.07 -1.45 115.31 123.06 3hfa h LEU 383 Ca 0.22 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hfa h LEU 383 Cb 0.22 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hfa h LEU 383 CO -0.02 0.92 0.23 0.00 -0.34 0.00 0.00 178.44 179.23 3hfa h ALA 384 N 1.04 0.63 -0.67 1.25 0.00 -0.68 -1.16 119.26 119.67 3hfa h ALA 384 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 384 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 384 CO 0.00 0.20 0.35 0.82 0.00 0.00 0.00 179.25 180.63 3hfa h ILE 385 N 0.65 1.22 -0.76 0.00 2.04 -0.92 -0.52 117.51 119.22 3hfa h ILE 385 Ca 0.17 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3hfa h ILE 385 Cb 0.13 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3hfa h ILE 385 CO -0.02 0.24 0.45 -0.03 0.00 0.00 0.00 178.15 178.79 3hfa h MET 386 N 0.93 1.04 -0.50 2.37 4.05 -0.92 -0.88 114.93 121.02 3hfa h MET 386 Ca 0.23 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 3hfa h MET 386 Cb 0.07 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3hfa h MET 386 CO -0.03 0.75 0.15 0.28 0.23 0.00 0.00 176.91 178.28 3hfa h VAL 387 N 1.05 1.23 -0.56 -5.77 2.07 -0.86 -2.73 116.25 110.68 3hfa h VAL 387 Ca 0.27 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3hfa h VAL 387 Cb -0.01 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3hfa h VAL 387 CO -0.05 0.29 0.24 -0.09 0.02 0.00 0.00 177.57 177.98 3hfa h ARG 388 N 0.68 0.79 -0.07 1.57 2.43 -0.67 -0.99 114.38 118.11 3hfa h ARG 388 Ca 0.16 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3hfa h ARG 388 Cb 0.29 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3hfa h ARG 388 CO -0.00 0.63 0.16 0.78 -1.51 0.00 0.00 179.97 180.03 3hfa h GLY 389 N 0.90 0.00 -1.75 2.80 0.00 -0.85 -0.68 103.07 103.50 3hfa h GLY 389 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3hfa h GLY 389 CO -0.02 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.51 3hfa n ASN 390 N -3.37 2.81 -0.12 0.19 5.15 -0.38 -4.56 115.26 114.99 3hfa n ASN 390 Ca -0.01 -1.90 -0.05 0.00 -0.60 0.00 0.00 54.58 52.02 3hfa n ASN 390 Cb 0.24 -0.10 0.03 0.00 -0.53 0.00 0.00 39.78 39.42 3hfa n ASN 390 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3hfa h LEU 391 N 4.03 -0.17 -0.17 1.20 5.85 -1.10 0.28 115.31 125.24 3hfa h LEU 391 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 391 Cb 0.87 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3hfa h LEU 391 CO 0.00 -0.05 -0.09 0.00 -0.34 0.00 0.00 178.44 177.96 3hfa h ALA 392 N 1.35 0.05 -0.83 1.25 0.00 -1.81 0.01 119.26 119.28 3hfa h ALA 392 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3hfa h ALA 392 Cb 0.28 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 392 CO -0.33 -0.53 0.40 0.00 0.00 0.00 0.00 179.25 178.79 3hfa h ALA 393 N 1.07 1.13 -0.78 0.00 0.00 -1.70 -2.52 119.26 116.45 3hfa h ALA 393 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 393 Cb 0.22 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hfa h ALA 393 CO -0.22 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.15 3hfa h ALA 394 N 1.24 1.35 0.00 0.00 0.00 0.51 -0.01 119.26 122.36 3hfa h ALA 394 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 394 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hfa h ALA 394 CO -0.04 0.56 0.00 0.52 0.00 0.00 0.00 179.25 180.29 3hfa h MET 395 N 1.08 0.00 -0.33 0.00 2.86 -0.60 -0.46 114.93 117.48 3hfa h MET 395 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hfa h MET 395 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3hfa h MET 395 CO -0.05 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.96 3hfa n GLN 396 N -2.67 2.12 0.00 1.72 1.13 -0.12 -4.93 117.38 114.64 3hfa n GLN 396 Ca 0.01 -1.71 0.00 0.00 -1.94 0.00 0.00 57.00 53.36 3hfa n GLN 396 Cb 0.22 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3hfa n GLN 396 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hfa n GLY 397 N 1.31 0.46 2.64 1.08 0.00 -0.18 -5.00 105.19 105.50 3hfa n GLY 397 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hfa n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfa n LEU 398 N 0.00 7.48 -4.73 0.99 4.77 -0.58 -4.88 117.00 120.05 3hfa n LEU 398 Ca 0.00 -4.86 -0.35 0.00 -0.03 0.00 0.00 56.01 50.77 3hfa n LEU 398 Cb 0.00 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 39.63 3hfa n LEU 398 CO 0.00 1.82 -0.19 -0.22 -1.33 0.00 0.00 177.39 177.48 3hfa s LEU 399 N -1.66 4.18 -0.05 2.23 2.96 -1.26 -3.64 118.68 121.43 3hfa s LEU 399 Ca 0.47 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 3hfa s LEU 399 Cb 0.15 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hfa s LEU 399 CO -0.05 0.20 0.14 0.00 -1.32 0.00 0.00 176.35 175.31 3hfa s ALA 400 N 0.24 -0.31 -0.12 5.97 0.00 -1.26 -0.87 121.76 125.40 3hfa s ALA 400 Ca 0.08 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3hfa s ALA 400 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3hfa s ALA 400 CO -0.01 -0.09 -0.17 -0.51 0.00 0.00 0.00 175.76 174.98 3hfa s LEU 401 N 0.35 1.84 0.40 0.00 1.43 0.28 -4.94 118.68 118.04 3hfa s LEU 401 Ca -0.02 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 3hfa s LEU 401 Cb -0.04 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.91 3hfa s LEU 401 CO -0.01 0.03 0.77 -2.16 0.23 0.00 0.00 176.35 175.21 3hfa s PRO 402 N 0.97 3.79 -0.08 1.29 0.05 -1.26 -1.71 135.00 138.04 3hfa s PRO 402 Ca -0.06 0.48 0.04 0.00 0.05 0.00 0.00 61.00 61.51 3hfa s PRO 402 Cb -0.15 -2.39 0.00 0.00 0.05 0.00 0.00 34.50 32.01 3hfa s PRO 402 CO -0.02 -0.03 -0.21 -1.17 0.05 0.00 0.00 177.00 175.61 3hfa s LEU 403 N -3.83 1.98 -0.17 -3.56 2.96 0.20 -3.66 118.68 112.61 3hfa s LEU 403 Ca 0.51 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3hfa s LEU 403 Cb -0.10 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3hfa s LEU 403 CO 0.31 0.15 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.19 3hfa s LEU 404 N 0.31 2.92 -0.03 -0.68 2.96 0.06 -1.36 118.68 122.85 3hfa s LEU 404 Ca -0.15 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3hfa s LEU 404 Cb -0.16 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3hfa s LEU 404 CO 0.07 0.10 -0.24 0.00 -1.32 0.00 0.00 176.35 174.96 3hfa s ALA 405 N 0.74 2.23 0.24 5.97 0.00 -0.37 -0.23 121.76 130.35 3hfa s ALA 405 Ca -0.03 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 3hfa s ALA 405 Cb -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3hfa s ALA 405 CO 0.02 0.51 0.58 0.20 0.00 0.00 0.00 175.76 177.08 3hfa s GLY 406 N -0.55 0.10 -0.17 0.00 0.00 -0.06 -0.29 107.32 106.35 3hfa s GLY 406 Ca 0.08 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.35 3hfa s GLY 406 CO -0.00 -0.31 -0.16 -0.47 0.00 0.00 0.00 173.10 172.16 3hfa s TYR 407 N -3.94 2.52 -0.59 1.90 5.04 -0.25 0.33 117.35 122.35 3hfa s TYR 407 Ca 0.14 -1.50 -0.23 0.00 -2.44 0.00 0.00 57.07 53.03 3hfa s TYR 407 Cb -0.03 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.57 3hfa s TYR 407 CO 0.05 -0.75 0.94 0.34 -1.34 0.00 0.00 175.55 174.79 3hfa s ASP 408 N 1.37 6.27 0.58 4.32 2.15 -0.05 -4.88 116.67 126.45 3hfa s ASP 408 Ca 0.04 -0.60 0.38 0.00 0.43 0.00 0.00 52.55 52.80 3hfa s ASP 408 Cb -0.14 -2.43 1.81 0.00 -0.30 0.00 0.00 42.92 41.87 3hfa s ASP 408 CO -0.11 -1.30 2.13 0.16 -0.17 0.00 0.00 175.17 175.88 3hfa h ILE 409 N 6.00 0.00 -0.01 4.11 3.07 -1.97 -1.98 117.51 126.72 3hfa h ILE 409 Ca -0.27 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.87 3hfa h ILE 409 Cb 1.07 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 3hfa h ILE 409 CO 1.12 0.00 -0.17 1.41 -1.05 0.00 0.00 178.15 179.46 3hfa n HIS 410 N -3.03 0.00 -1.96 0.16 8.25 -1.26 -4.95 115.22 112.44 3hfa n HIS 410 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 3hfa n HIS 410 Cb 0.19 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.28 3hfa n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfa s ALA 411 N -2.29 2.58 0.02 -1.41 0.00 -0.75 -4.96 121.76 114.96 3hfa s ALA 411 Ca 0.29 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 3hfa s ALA 411 Cb 0.20 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 411 CO 0.44 -1.22 1.32 0.77 0.00 0.00 0.00 175.76 177.07 3hfa h SER 412 N 0.99 -0.41 -3.34 0.00 0.02 -1.92 -3.41 113.55 105.47 3hfa h SER 412 Ca -0.51 -0.12 -0.73 0.00 -0.84 0.00 0.00 61.79 59.59 3hfa h SER 412 Cb 1.30 0.11 -0.25 0.00 0.14 0.00 0.00 62.40 63.70 3hfa h SER 412 CO 0.55 -0.09 -0.38 -0.62 -1.14 0.00 0.00 176.83 175.15 3hfa s ASP 413 N -4.95 5.92 0.59 3.07 2.15 -1.26 -4.95 116.67 117.23 3hfa s ASP 413 Ca -0.15 -1.48 0.29 0.00 0.43 0.00 0.00 52.55 51.64 3hfa s ASP 413 Cb 0.03 -2.10 1.67 0.00 -0.30 0.00 0.00 42.92 42.22 3hfa s ASP 413 CO 0.56 -0.63 2.13 -0.65 -0.17 0.00 0.00 175.17 176.41 3hfa h PRO 414 N 8.61 0.00 -0.46 4.34 0.11 -1.95 -1.31 132.00 141.34 3hfa h PRO 414 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3hfa h PRO 414 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hfa h PRO 414 CO 0.84 0.00 0.16 1.96 -0.21 0.00 0.00 178.00 180.75 3hfa h GLN 415 N 0.00 0.67 -0.09 1.05 1.08 -1.92 -3.17 115.11 112.73 3hfa h GLN 415 Ca 0.07 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3hfa h GLN 415 Cb 0.41 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3hfa h GLN 415 CO -0.00 0.58 -0.31 -1.13 -0.95 0.00 0.00 178.83 177.01 3hfa n SER 416 N -4.34 2.06 0.00 1.46 3.41 -0.53 -0.50 113.62 115.18 3hfa n SER 416 Ca 0.03 -3.73 0.14 0.00 -0.26 0.00 0.00 58.87 55.06 3hfa n SER 416 Cb 0.17 -0.54 0.71 0.00 -0.26 0.00 0.00 64.21 64.29 3hfa n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfa n ALA 417 N -1.15 2.42 -1.76 7.33 0.00 -1.00 -4.81 120.51 121.54 3hfa n ALA 417 Ca 0.22 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3hfa n ALA 417 Cb 0.77 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3hfa n ALA 417 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hfa s GLY 418 N -2.70 2.89 -0.01 0.00 0.00 -1.26 -0.87 107.32 105.37 3hfa s GLY 418 Ca 0.24 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.24 3hfa s GLY 418 CO 0.48 1.81 -0.06 0.50 0.00 0.00 0.00 173.10 175.82 3hfa s ARG 419 N -2.58 0.57 -0.07 2.90 1.81 0.15 -4.90 118.95 116.83 3hfa s ARG 419 Ca 0.64 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.43 3hfa s ARG 419 Cb -0.38 -0.55 0.02 0.00 -0.45 0.00 0.00 34.95 33.58 3hfa s ARG 419 CO 0.48 0.12 -0.10 0.42 -0.68 0.00 0.00 175.30 175.54 3hfa s ILE 420 N -0.06 1.00 -0.06 1.52 1.01 -1.26 -0.88 121.20 122.47 3hfa s ILE 420 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3hfa s ILE 420 Cb -0.04 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.50 3hfa s ILE 420 CO -0.00 0.33 -0.10 -0.69 0.00 0.00 0.00 174.94 174.48 3hfa s VAL 421 N 0.98 0.98 0.26 2.92 1.01 0.68 -0.28 120.40 126.95 3hfa s VAL 421 Ca -0.09 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3hfa s VAL 421 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3hfa s VAL 421 CO 0.00 0.32 0.23 -0.94 0.00 0.00 0.00 175.10 174.72 3hfa s SER 422 N 0.80 5.60 0.01 3.32 1.04 -0.52 -0.76 113.70 123.18 3hfa s SER 422 Ca -0.12 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3hfa s SER 422 Cb -0.15 -1.41 -0.01 0.00 0.10 0.00 0.00 66.02 64.55 3hfa s SER 422 CO 0.02 -0.08 -0.05 -0.36 0.98 0.00 0.00 173.24 173.75 3hfa s PHE 423 N -2.14 0.45 0.48 5.02 0.08 -1.24 -1.10 117.98 119.53 3hfa s PHE 423 Ca 0.34 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.28 3hfa s PHE 423 Cb -0.08 -0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3hfa s PHE 423 CO 0.26 -0.03 0.59 0.16 -0.10 0.00 0.00 175.22 176.09 3hfa s ASP 424 N -0.49 5.27 0.45 1.36 1.47 0.00 -4.70 116.67 120.03 3hfa s ASP 424 Ca -0.02 -0.69 0.31 0.00 1.18 0.00 0.00 52.55 53.33 3hfa s ASP 424 Cb -0.04 -0.24 1.44 0.00 -0.34 0.00 0.00 42.92 43.74 3hfa s ASP 424 CO -0.00 -0.96 1.93 0.00 0.68 0.00 0.00 175.17 176.82 3hfa h ALA 425 N 0.58 1.00 -0.32 2.11 0.00 -1.92 -2.08 119.26 118.63 3hfa h ALA 425 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hfa h ALA 425 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hfa h ALA 425 CO 0.47 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3hfa n ALA 426 N -1.95 2.45 -0.26 0.00 0.00 -1.26 -4.42 120.51 115.07 3hfa n ALA 426 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3hfa n ALA 426 Cb 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3hfa n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfa n GLY 427 N 1.39 0.74 3.77 0.00 0.00 -0.78 -4.57 105.19 105.75 3hfa n GLY 427 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hfa n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfa s GLY 428 N -1.61 2.95 0.09 -0.02 0.00 -1.25 -4.73 107.32 102.74 3hfa s GLY 428 Ca 0.00 1.37 0.05 0.00 0.00 0.00 0.00 44.72 46.14 3hfa s GLY 428 CO 0.00 2.00 -0.13 0.66 0.00 0.00 0.00 173.10 175.64 3hfa s TRP 429 N -1.19 1.22 -0.06 1.90 1.48 -1.26 -0.82 118.94 120.21 3hfa s TRP 429 Ca 0.55 -0.55 -0.02 0.00 -1.06 0.00 0.00 56.10 55.02 3hfa s TRP 429 Cb -0.42 -0.66 0.04 0.00 -1.16 0.00 0.00 33.47 31.27 3hfa s TRP 429 CO 0.55 0.07 0.10 1.21 -4.06 0.00 0.00 176.95 174.82 3hfa s ASN 430 N -2.17 0.52 -0.37 -2.66 2.47 -0.26 -4.98 114.94 107.50 3hfa s ASN 430 Ca 0.03 0.20 -0.29 0.00 0.42 0.00 0.00 52.86 53.23 3hfa s ASN 430 Cb -0.06 0.08 0.02 0.00 -1.45 0.00 0.00 41.25 39.83 3hfa s ASN 430 CO 0.02 -0.20 1.17 -0.63 -3.72 0.00 0.00 177.10 173.74 3hfa s ILE 431 N 1.77 4.29 0.20 -5.21 1.01 -1.26 -1.44 121.20 120.56 3hfa s ILE 431 Ca -0.02 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 3hfa s ILE 431 Cb -0.12 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 3hfa s ILE 431 CO -0.05 -0.66 1.38 -0.70 0.00 0.00 0.00 174.94 174.92 3hfa s GLU 432 N 4.10 4.33 0.00 2.79 2.56 0.61 -4.92 118.70 128.17 3hfa s GLU 432 Ca 0.50 2.16 0.07 0.00 0.00 0.00 0.00 54.97 57.71 3hfa s GLU 432 Cb -0.12 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.85 3hfa s GLU 432 CO 0.23 -0.36 0.55 0.39 -0.56 0.00 0.00 175.26 175.52 3hfa n GLU 433 N 2.80 2.09 -0.13 4.30 1.02 -1.26 -4.63 120.64 124.83 3hfa n GLU 433 Ca 0.08 -0.55 0.12 0.00 -0.02 0.00 0.00 57.16 56.79 3hfa n GLU 433 Cb 0.42 -1.01 0.19 0.00 -0.02 0.00 0.00 31.44 31.02 3hfa n GLU 433 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hfa n GLU 434 N -0.25 2.43 0.00 3.49 1.02 -1.26 -4.98 120.64 121.09 3hfa n GLU 434 Ca 0.03 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3hfa n GLU 434 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3hfa n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hfa n GLY 435 N 1.45 3.19 3.61 0.62 0.00 -1.26 -5.02 105.19 107.77 3hfa n GLY 435 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3hfa n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hfa s TYR 436 N -2.80 -0.01 0.14 1.61 -0.85 -1.26 -0.40 117.35 113.79 3hfa s TYR 436 Ca 0.00 -0.37 -0.24 0.00 -0.52 0.00 0.00 57.07 55.94 3hfa s TYR 436 Cb 0.00 0.40 0.07 0.00 0.38 0.00 0.00 41.96 42.81 3hfa s TYR 436 CO 0.00 -1.00 0.75 -1.14 -1.52 0.00 0.00 175.55 172.64 3hfa s GLN 437 N -3.92 1.25 -0.02 -3.49 2.00 -0.29 -4.95 119.66 110.23 3hfa s GLN 437 Ca 0.13 -0.56 -0.22 0.00 -2.00 0.00 0.00 55.36 52.71 3hfa s GLN 437 Cb -0.02 0.51 0.04 0.00 0.80 0.00 0.00 33.01 34.35 3hfa s GLN 437 CO 0.02 -0.56 0.48 0.00 -0.50 0.00 0.00 175.29 174.74 3hfa s ALA 438 N -3.55 -1.24 0.05 1.58 0.00 -1.26 -1.49 121.76 115.86 3hfa s ALA 438 Ca 0.06 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3hfa s ALA 438 Cb -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3hfa s ALA 438 CO -0.06 -0.33 -0.07 0.54 0.00 0.00 0.00 175.76 175.85 3hfa s VAL 439 N -1.36 0.50 0.00 0.00 0.11 -0.21 -4.85 120.40 114.59 3hfa s VAL 439 Ca -0.12 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 3hfa s VAL 439 Cb -0.03 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 3hfa s VAL 439 CO 0.06 -0.47 0.00 0.61 -3.33 0.00 0.00 175.10 171.97 3hfa n GLY 440 N 1.26 1.11 0.30 6.54 0.00 -1.26 -1.15 105.19 111.99 3hfa n GLY 440 Ca -0.21 -2.22 0.20 0.00 0.00 0.00 0.00 46.02 43.78 3hfa n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 441 N 0.00 0.00 -0.17 1.61 4.64 -1.10 -1.62 113.55 116.91 3hfa h SER 441 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfa h SER 441 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hfa h SER 441 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hfa n GLY 442 N -1.14 1.24 0.35 -0.77 0.00 -1.16 -4.72 105.19 98.99 3hfa n GLY 442 Ca -0.03 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.81 3hfa n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 443 N 1.97 0.17 -0.44 1.61 4.64 -1.52 -1.20 113.55 118.78 3hfa h SER 443 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3hfa h SER 443 Cb 0.58 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3hfa h SER 443 CO 0.00 0.10 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.87 3hfa h LEU 444 N 0.19 0.87 -0.33 5.97 4.07 -1.84 -1.41 115.31 122.83 3hfa h LEU 444 Ca 0.23 -0.37 -0.18 0.00 0.08 0.00 0.00 57.88 57.65 3hfa h LEU 444 Cb 0.66 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3hfa h LEU 444 CO -0.04 1.03 -0.49 -0.26 -1.08 0.00 0.00 178.44 177.61 3hfa h PHE 445 N 0.69 1.12 -0.51 1.13 0.04 -1.71 -2.27 116.94 115.44 3hfa h PHE 445 Ca 0.11 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 3hfa h PHE 445 Cb 0.66 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3hfa h PHE 445 CO 0.05 1.21 0.27 0.00 -0.60 0.00 0.00 178.31 179.24 3hfa h ALA 446 N 0.72 1.52 0.00 2.45 0.00 -1.16 -1.44 119.26 121.35 3hfa h ALA 446 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3hfa h ALA 446 Cb 1.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hfa h ALA 446 CO 0.11 0.40 -1.16 0.87 0.00 0.00 0.00 179.25 179.47 3hfa h LYS 447 N 0.71 0.00 0.00 0.00 1.57 -1.19 -2.01 116.57 115.65 3hfa h LYS 447 Ca 0.18 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hfa h LYS 447 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hfa h LYS 447 CO -0.03 0.70 -0.45 0.77 -0.57 0.00 0.00 179.45 179.87 3hfa h SER 448 N 0.00 0.00 -0.01 0.86 0.02 -1.21 -0.99 113.55 112.22 3hfa h SER 448 Ca -0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3hfa h SER 448 Cb 1.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.29 3hfa h SER 448 CO 0.10 0.45 -0.07 -1.28 -1.14 0.00 0.00 176.83 174.89 3hfa h SER 449 N 0.00 0.07 -0.43 3.07 0.87 -1.26 -3.28 113.55 112.59 3hfa h SER 449 Ca -0.00 -0.70 -0.02 0.00 -1.23 0.00 0.00 61.79 59.83 3hfa h SER 449 Cb 1.09 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 3hfa h SER 449 CO 0.06 0.76 0.20 0.24 -0.53 0.00 0.00 176.83 177.56 3hfa h MET 450 N -0.61 0.67 -1.00 2.24 2.07 -1.33 -1.42 114.93 115.54 3hfa h MET 450 Ca -0.01 -0.09 0.23 0.00 -2.07 0.00 0.00 59.70 57.76 3hfa h MET 450 Cb 0.77 -0.13 -0.10 0.00 -1.87 0.00 0.00 31.60 30.26 3hfa h MET 450 CO 0.01 0.54 0.62 -0.22 1.07 0.00 0.00 176.91 178.94 3hfa h LYS 451 N 0.67 0.57 0.00 1.72 3.64 -1.25 0.27 116.57 122.19 3hfa h LYS 451 Ca 0.16 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.27 3hfa h LYS 451 Cb 0.12 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3hfa h LYS 451 CO -0.02 0.38 -1.46 0.87 -2.27 0.00 0.00 179.45 176.95 3hfa h LYS 452 N 0.59 0.00 0.00 1.90 1.79 -1.36 -3.39 116.57 116.10 3hfa h LYS 452 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 3hfa h LYS 452 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3hfa h LYS 452 CO -0.37 0.50 -1.54 1.28 -1.08 0.00 0.00 179.45 178.24 3hfa n LEU 453 N -3.05 0.37 0.26 2.94 4.77 -0.69 -4.51 117.00 117.08 3hfa n LEU 453 Ca -0.11 0.02 0.08 0.00 -0.03 0.00 0.00 56.01 55.97 3hfa n LEU 453 Cb 0.96 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.67 3hfa n LEU 453 CO 0.44 -0.01 1.05 0.22 -1.33 0.00 0.00 177.39 177.76 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.70 -0.46 116.97 117.24 3hfa h TYR 454 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hfa h TYR 454 Cb 0.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3hfa h TYR 454 CO 0.00 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.21 3hfa h SER 455 N 0.00 0.00 0.45 -2.11 4.64 -1.83 -0.93 113.55 113.77 3hfa h SER 455 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfa h SER 455 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hfa h SER 455 CO 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.80 3hfa n GLN 456 N -2.80 0.51 -2.70 4.77 6.02 -0.18 -4.81 117.38 118.19 3hfa n GLN 456 Ca -0.02 -0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.35 3hfa n GLN 456 Cb 0.09 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 3hfa n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hfa s VAL 457 N -2.62 4.53 0.00 5.09 1.01 -0.35 -4.80 120.40 123.25 3hfa s VAL 457 Ca 0.24 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3hfa s VAL 457 Cb 0.19 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3hfa s VAL 457 CO 0.52 -0.51 0.00 0.35 0.00 0.00 0.00 175.10 175.46 3hfa n THR 458 N 5.94 0.00 -3.82 3.92 -2.24 -1.26 -4.86 114.28 111.95 3hfa n THR 458 Ca 0.10 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3hfa n THR 458 Cb 0.47 0.98 0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3hfa n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hfa s ASP 459 N -0.41 0.04 0.33 3.42 1.47 -1.26 -4.55 116.67 115.71 3hfa s ASP 459 Ca 0.00 -1.16 0.02 0.00 1.18 0.00 0.00 52.55 52.59 3hfa s ASP 459 Cb 0.00 0.85 0.61 0.00 -0.34 0.00 0.00 42.92 44.03 3hfa s ASP 459 CO 0.00 -1.68 1.95 1.23 0.68 0.00 0.00 175.17 177.36 3hfa h GLY 460 N 2.00 1.10 0.71 2.12 0.00 -1.94 0.03 103.07 107.09 3hfa h GLY 460 Ca -0.32 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3hfa h GLY 460 CO 0.40 0.30 -0.02 -1.80 0.00 0.00 0.00 176.54 175.42 3hfa h ASP 461 N 0.92 -0.05 0.11 0.19 1.82 -1.99 -0.23 116.42 117.19 3hfa h ASP 461 Ca 0.33 -0.27 -0.11 0.00 -0.39 0.00 0.00 57.03 56.59 3hfa h ASP 461 Cb 0.13 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3hfa h ASP 461 CO -0.10 0.25 -0.36 0.77 -1.61 0.00 0.00 179.24 178.19 3hfa h SER 462 N -0.35 0.36 -0.39 2.28 4.64 -1.87 -1.59 113.55 116.64 3hfa h SER 462 Ca -0.01 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3hfa h SER 462 Cb 0.32 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3hfa h SER 462 CO 0.01 0.70 0.25 1.23 -0.87 0.00 0.00 176.83 178.15 3hfa h GLY 463 N 1.12 0.55 1.00 -0.77 0.00 -0.84 -0.87 103.07 103.25 3hfa h GLY 463 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3hfa h GLY 463 CO 0.06 0.20 0.30 -2.00 0.00 0.00 0.00 176.54 175.10 3hfa h LEU 464 N 0.52 0.84 -0.28 3.11 5.85 -0.74 -1.32 115.31 123.29 3hfa h LEU 464 Ca 0.14 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hfa h LEU 464 Cb -0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3hfa h LEU 464 CO -0.03 0.74 0.17 -0.09 -0.34 0.00 0.00 178.44 178.90 3hfa h ARG 465 N 0.88 0.35 -0.67 1.25 2.43 -0.97 -0.98 114.38 116.67 3hfa h ARG 465 Ca 0.22 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3hfa h ARG 465 Cb 0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3hfa h ARG 465 CO -0.03 0.23 0.22 0.28 -1.51 0.00 0.00 179.97 179.17 3hfa h VAL 466 N 0.36 1.24 -0.41 0.20 2.07 -0.94 -0.01 116.25 118.76 3hfa h VAL 466 Ca 0.11 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3hfa h VAL 466 Cb -0.02 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hfa h VAL 466 CO -0.04 0.32 0.19 0.00 0.02 0.00 0.00 177.57 178.07 3hfa h ALA 467 N 1.26 0.53 -0.48 1.67 0.00 -0.94 0.46 119.26 121.76 3hfa h ALA 467 Ca 0.22 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 467 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 467 CO -0.01 0.09 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 3hfa h VAL 468 N 0.52 1.25 -0.18 0.00 2.07 -0.81 -1.81 116.25 117.29 3hfa h VAL 468 Ca 0.14 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 3hfa h VAL 468 Cb 0.12 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hfa h VAL 468 CO -0.02 0.39 -0.46 -0.08 0.02 0.00 0.00 177.57 177.42 3hfa h GLU 469 N 0.76 0.46 -0.53 1.57 4.81 -0.77 -0.48 114.58 120.39 3hfa h GLU 469 Ca 0.14 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3hfa h GLU 469 Cb 0.54 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3hfa h GLU 469 CO 0.03 0.82 0.14 0.00 -0.73 0.00 0.00 179.01 179.28 3hfa h ALA 470 N 1.14 0.70 -0.81 2.92 0.00 -0.62 0.38 119.26 122.97 3hfa h ALA 470 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 470 Cb 0.95 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hfa h ALA 470 CO 0.08 0.38 0.52 -0.07 0.00 0.00 0.00 179.25 180.17 3hfa h LEU 471 N 0.74 0.88 -0.30 0.00 4.07 -1.15 -0.14 115.31 119.41 3hfa h LEU 471 Ca 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3hfa h LEU 471 Cb 0.32 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 3hfa h LEU 471 CO -0.00 0.62 0.20 0.22 -1.08 0.00 0.00 178.44 178.40 3hfa h TYR 472 N 1.04 0.38 -0.41 1.13 3.20 -0.41 -0.37 116.97 121.53 3hfa h TYR 472 Ca 0.31 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hfa h TYR 472 Cb -0.04 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3hfa h TYR 472 CO -0.02 0.25 0.01 -0.44 -1.64 0.00 0.00 178.16 176.31 3hfa h ASP 473 N 0.41 0.62 -0.35 -2.11 3.32 -0.58 -0.64 116.42 117.09 3hfa h ASP 473 Ca 0.11 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3hfa h ASP 473 Cb -0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hfa h ASP 473 CO -0.02 0.68 0.11 0.00 -1.72 0.00 0.00 179.24 178.29 3hfa h ALA 474 N 1.40 0.45 -0.14 3.45 0.00 -0.48 -2.66 119.26 121.28 3hfa h ALA 474 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 474 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hfa h ALA 474 CO 0.01 0.08 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 3hfa h ALA 475 N 0.96 1.35 -0.27 0.00 0.00 -0.62 0.12 119.26 120.79 3hfa h ALA 475 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3hfa h ALA 475 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 475 CO -0.00 0.45 -0.03 0.22 0.00 0.00 0.00 179.25 179.89 3hfa h ASP 476 N 0.23 0.39 0.00 0.00 3.58 -0.88 -3.25 116.42 116.48 3hfa h ASP 476 Ca 0.04 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3hfa h ASP 476 Cb 0.54 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hfa h ASP 476 CO 0.04 0.47 -0.63 0.47 -2.88 0.00 0.00 179.24 176.71 3hfa n ASP 477 N -4.30 0.76 -3.91 2.28 8.00 -0.96 -4.92 116.55 113.50 3hfa n ASP 477 Ca 0.01 -0.65 -0.29 0.00 0.71 0.00 0.00 54.79 54.56 3hfa n ASP 477 Cb 0.24 1.07 -0.16 0.00 -0.02 0.00 0.00 41.12 42.24 3hfa n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hfa s ASP 478 N -2.17 3.26 0.48 -2.24 2.15 0.39 -5.00 116.67 113.54 3hfa s ASP 478 Ca 0.03 -0.88 0.32 0.00 0.43 0.00 0.00 52.55 52.45 3hfa s ASP 478 Cb 0.08 -1.03 1.56 0.00 -0.30 0.00 0.00 42.92 43.22 3hfa s ASP 478 CO 0.44 -0.20 1.97 0.77 -0.17 0.00 0.00 175.17 177.98 3hfa h SER 479 N 8.05 0.00 0.11 -0.34 4.64 -1.86 -1.56 113.55 122.59 3hfa h SER 479 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hfa h SER 479 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hfa h SER 479 CO 0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.32 3hfa n ALA 480 N -1.95 2.70 -2.83 5.18 0.00 -1.26 -4.75 120.51 117.59 3hfa n ALA 480 Ca -0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 3hfa n ALA 480 Cb 0.17 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 3hfa n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hfa s THR 481 N -2.17 3.09 -0.06 0.00 2.01 -0.59 -0.35 115.64 117.57 3hfa s THR 481 Ca 0.37 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3hfa s THR 481 Cb 0.21 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3hfa s THR 481 CO 0.40 0.55 0.42 -0.83 -0.69 0.00 0.00 174.62 174.47 3hfa s GLY 482 N -0.09 2.42 0.80 4.40 0.00 -1.26 -4.47 107.32 109.11 3hfa s GLY 482 Ca -0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.40 3hfa s GLY 482 CO 0.04 0.41 1.11 -0.32 0.00 0.00 0.00 173.10 174.33 3hfa s GLY 483 N -0.30 1.75 0.20 0.20 0.00 -1.26 -4.55 107.32 103.36 3hfa s GLY 483 Ca 0.24 -1.31 -0.32 0.00 0.00 0.00 0.00 44.72 43.32 3hfa s GLY 483 CO 0.11 -0.72 1.52 -1.05 0.00 0.00 0.00 173.10 172.96 3hfa n PRO 484 N -3.17 2.19 -3.46 2.90 -0.02 -1.26 -4.91 135.00 127.26 3hfa n PRO 484 Ca 0.13 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 3hfa n PRO 484 Cb 0.60 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 3hfa n PRO 484 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hfa s ASP 485 N 0.66 5.93 0.32 2.55 -1.08 -0.09 -4.94 116.67 120.02 3hfa s ASP 485 Ca 0.73 -1.99 0.15 0.00 -0.52 0.00 0.00 52.55 50.93 3hfa s ASP 485 Cb -0.64 -2.09 0.46 0.00 -1.46 0.00 0.00 42.92 39.19 3hfa s ASP 485 CO 0.43 -0.72 1.64 -0.07 0.52 0.00 0.00 175.17 176.96 3hfa h LEU 486 N 8.47 0.00 -0.08 -1.34 4.07 -1.93 0.31 115.31 124.81 3hfa h LEU 486 Ca -0.20 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.73 3hfa h LEU 486 Cb 1.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 3hfa h LEU 486 CO 0.90 0.50 -0.05 0.58 -1.08 0.00 0.00 178.44 179.29 3hfa h VAL 487 N 0.00 1.35 0.00 1.22 2.07 -1.97 -3.27 116.25 115.65 3hfa h VAL 487 Ca -0.01 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3hfa h VAL 487 Cb 1.06 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3hfa h VAL 487 CO 0.07 0.32 -0.65 0.03 0.02 0.00 0.00 177.57 177.35 3hfa h ARG 488 N -0.23 0.00 -2.47 1.57 3.08 -1.99 -3.48 114.38 110.87 3hfa h ARG 488 Ca 0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3hfa h ARG 488 Cb 0.53 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.62 3hfa h ARG 488 CO 0.01 0.00 -0.18 0.41 -1.07 0.00 0.00 179.97 179.14 3hfa n GLY 489 N 1.19 0.46 3.31 0.04 0.00 0.98 -5.05 105.19 106.12 3hfa n GLY 489 Ca 0.02 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3hfa n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfa s ILE 490 N -3.08 2.70 0.22 -0.61 1.01 -0.63 -5.00 121.20 115.81 3hfa s ILE 490 Ca 0.10 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3hfa s ILE 490 Cb -0.04 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hfa s ILE 490 CO 0.18 0.53 -0.04 -0.36 0.00 0.00 0.00 174.94 175.25 3hfa s PHE 491 N 0.38 1.60 0.77 3.97 0.08 -1.26 -0.91 117.98 122.61 3hfa s PHE 491 Ca -0.13 -0.82 -0.15 0.00 0.12 0.00 0.00 56.93 55.95 3hfa s PHE 491 Cb -0.17 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3hfa s PHE 491 CO 0.06 0.08 0.77 -2.30 -0.10 0.00 0.00 175.22 173.73 3hfa n PRO 492 N -0.41 0.25 -4.03 0.24 -0.02 -1.26 -4.84 135.00 124.93 3hfa n PRO 492 Ca -0.06 0.14 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 3hfa n PRO 492 Cb 0.63 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3hfa n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hfa s THR 493 N -2.00 4.84 -0.00 3.45 -4.23 -0.74 -4.94 115.64 112.02 3hfa s THR 493 Ca 0.68 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 3hfa s THR 493 Cb -0.32 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.02 3hfa s THR 493 CO 0.56 -0.16 0.25 0.00 -0.54 0.00 0.00 174.62 174.72 3hfa s ALA 494 N -1.83 -0.60 -0.03 3.99 0.00 -1.26 -1.12 121.76 120.91 3hfa s ALA 494 Ca 0.33 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3hfa s ALA 494 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 494 CO 0.26 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.66 3hfa s VAL 495 N -1.53 1.45 -0.09 0.00 1.01 0.57 -0.48 120.40 121.33 3hfa s VAL 495 Ca -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3hfa s VAL 495 Cb -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3hfa s VAL 495 CO 0.02 0.41 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 3hfa s ILE 496 N -0.22 3.21 -0.07 2.22 1.01 -0.47 -0.97 121.20 125.92 3hfa s ILE 496 Ca 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3hfa s ILE 496 Cb -0.09 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3hfa s ILE 496 CO 0.01 0.56 -0.17 -0.63 0.00 0.00 0.00 174.94 174.70 3hfa s ILE 497 N -0.24 1.49 0.00 2.92 1.01 -0.12 -0.80 121.20 125.46 3hfa s ILE 497 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3hfa s ILE 497 Cb -0.13 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3hfa s ILE 497 CO 0.03 0.43 0.00 -0.90 0.00 0.00 0.00 174.94 174.50 3hfa n ASP 498 N 3.52 0.00 -0.24 3.58 5.75 -1.11 -1.12 116.55 126.92 3hfa n ASP 498 Ca -0.20 -0.71 0.05 0.00 -0.01 0.00 0.00 54.79 53.91 3hfa n ASP 498 Cb 0.52 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.90 3hfa n ASP 498 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hfa h ALA 499 N 1.39 1.59 -0.72 2.12 0.00 -1.95 -1.13 119.26 120.57 3hfa h ALA 499 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hfa h ALA 499 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hfa h ALA 499 CO 0.00 0.29 0.23 -0.44 0.00 0.00 0.00 179.25 179.33 3hfa h ASP 500 N 0.91 1.02 -3.90 0.00 3.32 -1.96 -3.49 116.42 112.32 3hfa h ASP 500 Ca 0.35 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hfa h ASP 500 Cb 0.20 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hfa h ASP 500 CO -0.12 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 3hfa n GLY 501 N -0.81 0.94 3.72 2.75 0.00 -0.43 -5.06 105.19 106.29 3hfa n GLY 501 Ca 0.06 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 3hfa n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfa s ALA 502 N -1.01 3.32 0.02 4.61 0.00 0.13 -2.73 121.76 126.09 3hfa s ALA 502 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3hfa s ALA 502 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3hfa s ALA 502 CO 0.00 -0.08 -0.06 0.14 0.00 0.00 0.00 175.76 175.75 3hfa s VAL 503 N 0.65 0.44 0.17 0.00 -7.23 0.02 -4.97 120.40 109.47 3hfa s VAL 503 Ca 0.40 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 3hfa s VAL 503 Cb -0.19 -0.46 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 3hfa s VAL 503 CO 0.21 -0.18 1.33 -1.81 -0.31 0.00 0.00 175.10 174.34 3hfa s ASP 504 N -0.93 6.88 0.08 4.85 1.01 -1.26 -1.37 116.67 125.93 3hfa s ASP 504 Ca -0.05 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.26 3hfa s ASP 504 Cb -0.06 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.00 -0.56 1.08 -0.69 0.21 0.00 0.00 175.17 175.21 3hfa s VAL 505 N 0.47 4.31 0.29 -1.27 1.01 0.36 -4.90 120.40 120.67 3hfa s VAL 505 Ca 0.59 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 64.03 3hfa s VAL 505 Cb -0.36 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 3hfa s VAL 505 CO 0.35 0.19 1.56 -2.84 0.00 0.00 0.00 175.10 174.36 3hfa s PRO 506 N 0.59 4.15 0.31 2.72 0.02 -1.26 -4.62 135.00 136.91 3hfa s PRO 506 Ca 0.53 2.53 0.08 0.00 0.02 0.00 0.00 61.00 64.16 3hfa s PRO 506 Cb -0.26 -3.03 0.87 0.00 0.02 0.00 0.00 34.50 32.09 3hfa s PRO 506 CO 0.30 -0.59 1.71 1.49 -0.33 0.00 0.00 177.00 179.59 3hfa h GLU 507 N 4.74 0.49 -0.84 5.54 4.81 -1.94 -1.91 114.58 125.47 3hfa h GLU 507 Ca -0.47 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3hfa h GLU 507 Cb 1.22 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3hfa h GLU 507 CO 0.78 0.32 0.55 0.66 -0.73 0.00 0.00 179.01 180.59 3hfa h SER 508 N 0.50 0.93 -0.04 1.04 4.64 -1.99 0.99 113.55 119.62 3hfa h SER 508 Ca 0.63 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.76 3hfa h SER 508 Cb 1.23 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hfa h SER 508 CO -0.51 0.66 -0.57 -0.09 -0.87 0.00 0.00 176.83 175.45 3hfa h ARG 509 N 1.09 0.63 -0.48 4.77 2.43 -1.72 -1.90 114.38 119.20 3hfa h ARG 509 Ca 0.32 -0.41 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 3hfa h ARG 509 Cb -0.05 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3hfa h ARG 509 CO -0.08 1.03 -0.21 0.82 -1.51 0.00 0.00 179.97 180.01 3hfa h ILE 510 N 0.48 1.27 -0.77 1.20 2.04 -1.24 -1.93 117.51 118.56 3hfa h ILE 510 Ca 0.00 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.51 3hfa h ILE 510 Cb 1.14 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 3hfa h ILE 510 CO 0.11 0.48 0.49 0.00 0.00 0.00 0.00 178.15 179.23 3hfa h ALA 511 N 0.90 1.01 -0.27 1.87 0.00 -0.73 0.12 119.26 122.15 3hfa h ALA 511 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 511 Cb 0.79 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hfa h ALA 511 CO 0.07 0.31 0.11 1.49 0.00 0.00 0.00 179.25 181.23 3hfa h GLU 512 N 0.97 0.41 -0.46 0.00 4.81 -1.17 -1.15 114.58 117.99 3hfa h GLU 512 Ca 0.30 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3hfa h GLU 512 Cb -0.01 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 512 CO -0.10 0.44 0.21 -0.07 -0.73 0.00 0.00 179.01 178.76 3hfa h LEU 513 N 0.29 0.29 -0.47 1.64 4.07 -0.96 -1.51 115.31 118.66 3hfa h LEU 513 Ca 0.09 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.11 3hfa h LEU 513 Cb 0.18 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 3hfa h LEU 513 CO -0.01 0.21 0.27 0.00 -1.08 0.00 0.00 178.44 177.83 3hfa h ALA 514 N 1.26 0.60 -0.68 1.53 0.00 -0.65 -0.50 119.26 120.82 3hfa h ALA 514 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 514 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hfa h ALA 514 CO -0.16 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.34 3hfa h ARG 515 N 0.54 1.00 -0.28 0.00 3.08 -0.89 -0.23 114.38 117.59 3hfa h ARG 515 Ca 0.19 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hfa h ARG 515 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hfa h ARG 515 CO -0.10 0.81 0.16 0.00 -1.07 0.00 0.00 179.97 179.77 3hfa h ALA 516 N 1.14 0.36 -0.30 0.04 0.00 -0.71 0.14 119.26 119.93 3hfa h ALA 516 Ca 0.23 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 516 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 516 CO -0.02 -0.11 0.11 0.82 0.00 0.00 0.00 179.25 180.04 3hfa h ILE 517 N 0.35 0.93 -0.07 0.00 2.04 -0.77 0.42 117.51 120.41 3hfa h ILE 517 Ca 0.10 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hfa h ILE 517 Cb 0.05 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3hfa h ILE 517 CO -0.02 0.05 0.04 0.40 0.00 0.00 0.00 178.15 178.62 3hfa h ILE 518 N 0.25 1.03 -0.69 -0.67 2.04 -0.75 -2.15 117.51 116.57 3hfa h ILE 518 Ca 0.13 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3hfa h ILE 518 Cb 0.09 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3hfa h ILE 518 CO -0.13 0.03 0.42 -0.33 0.00 0.00 0.00 178.15 178.13 3hfa h GLU 519 N 0.08 0.78 -0.49 2.37 5.08 -0.52 -1.97 114.58 119.91 3hfa h GLU 519 Ca 0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3hfa h GLU 519 Cb 0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3hfa h GLU 519 CO -0.01 0.52 0.32 1.03 -1.00 0.00 0.00 179.01 179.88 3hfa h SER 520 N 0.81 0.50 0.48 1.42 0.87 -0.58 -2.20 113.55 114.84 3hfa h SER 520 Ca 0.29 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3hfa h SER 520 Cb 0.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3hfa h SER 520 CO -0.13 0.35 -0.63 0.54 -0.53 0.00 0.00 176.83 176.43 3hfa n ARG 521 N -4.47 0.07 0.00 2.24 1.74 -0.84 -5.10 116.66 110.30 3hfa n ARG 521 Ca 0.05 0.01 0.16 0.00 -0.77 0.00 0.00 57.85 57.30 3hfa n ARG 521 Cb 0.12 -1.53 0.95 0.00 -1.02 0.00 0.00 32.46 30.98 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54