#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 0.19 -0.09 12.58 2.01 -1.26 -0.34 115.64 128.73 3hfa s THR 302 Ca 0.00 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3hfa s THR 302 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.27 3hfa s THR 302 CO 0.00 0.12 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.27 3hfa s ILE 303 N 0.73 1.45 0.20 1.82 1.01 -0.26 -2.37 121.20 123.78 3hfa s ILE 303 Ca -0.07 -0.64 0.11 0.00 0.00 0.00 0.00 60.65 60.04 3hfa s ILE 303 Cb -0.10 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3hfa s ILE 303 CO -0.01 0.43 -0.20 0.68 0.00 0.00 0.00 174.94 175.84 3hfa s VAL 304 N 0.70 2.58 -0.09 2.92 -7.23 0.03 -1.09 120.40 118.22 3hfa s VAL 304 Ca -0.13 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.94 3hfa s VAL 304 Cb -0.16 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.54 3hfa s VAL 304 CO 0.03 -0.16 0.28 0.00 -0.31 0.00 0.00 175.10 174.94 3hfa s ALA 305 N -1.80 -0.69 -0.02 1.32 0.00 -0.49 -1.12 121.76 118.97 3hfa s ALA 305 Ca 0.23 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3hfa s ALA 305 Cb -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3hfa s ALA 305 CO 0.12 -0.15 0.29 -0.48 0.00 0.00 0.00 175.76 175.54 3hfa s LEU 306 N -0.10 0.91 0.02 0.00 0.05 -0.29 -1.19 118.68 118.09 3hfa s LEU 306 Ca -0.02 0.08 -0.21 0.00 0.05 0.00 0.00 54.13 54.03 3hfa s LEU 306 Cb -0.03 1.21 -0.06 0.00 -2.05 0.00 0.00 46.19 45.26 3hfa s LEU 306 CO 0.01 -0.43 0.62 -0.54 -0.55 0.00 0.00 176.35 175.46 3hfa s LYS 307 N -1.27 4.33 0.33 1.48 1.02 0.59 -1.07 119.74 125.15 3hfa s LYS 307 Ca -0.13 0.79 0.06 0.00 0.02 0.00 0.00 55.97 56.71 3hfa s LYS 307 Cb -0.05 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 3hfa s LYS 307 CO 0.04 0.41 -0.01 1.52 -0.92 0.00 0.00 175.35 176.39 3hfa s TYR 308 N -0.37 2.10 -0.20 3.18 -0.85 -0.60 -4.94 117.35 115.68 3hfa s TYR 308 Ca 0.32 -0.77 -0.28 0.00 -0.52 0.00 0.00 57.07 55.82 3hfa s TYR 308 Cb -0.19 -1.33 -0.05 0.00 0.38 0.00 0.00 41.96 40.77 3hfa s TYR 308 CO 0.19 0.24 2.19 -2.14 -1.52 0.00 0.00 175.55 174.51 3hfa s PRO 309 N -3.77 3.22 0.00 -3.49 0.02 -1.26 -1.53 135.00 128.18 3hfa s PRO 309 Ca 0.33 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3hfa s PRO 309 Cb 0.07 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.23 3hfa s PRO 309 CO 0.15 -2.01 0.00 0.41 -0.33 0.00 0.00 177.00 175.22 3hfa n GLY 310 N 5.65 0.30 0.00 0.52 0.00 0.08 -4.72 105.19 107.02 3hfa n GLY 310 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.62 1.35 3.11 -0.02 0.00 -0.58 -4.14 105.19 103.29 3hfa n GLY 311 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.30 0.11 0.02 1.61 0.11 -0.44 -1.56 120.40 117.96 3hfa s VAL 312 Ca 0.00 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 3hfa s VAL 312 Cb 0.00 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3hfa s VAL 312 CO 0.00 -0.50 -0.14 0.54 -3.33 0.00 0.00 175.10 171.67 3hfa s VAL 313 N -2.05 1.10 -0.02 2.04 0.11 -0.23 -1.06 120.40 120.29 3hfa s VAL 313 Ca -0.10 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 3hfa s VAL 313 Cb -0.04 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3hfa s VAL 313 CO -0.02 0.12 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.48 3hfa s MET 314 N -0.83 0.76 0.03 1.54 1.75 -0.30 -1.14 119.30 121.11 3hfa s MET 314 Ca 0.03 -0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 3hfa s MET 314 Cb -0.07 -0.74 -0.02 0.00 2.84 0.00 0.00 34.83 36.84 3hfa s MET 314 CO 0.01 0.07 -0.04 0.00 -0.65 0.00 0.00 175.02 174.40 3hfa s ALA 315 N 0.28 0.25 0.02 4.11 0.00 -0.27 -0.38 121.76 125.78 3hfa s ALA 315 Ca -0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 3hfa s ALA 315 Cb -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3hfa s ALA 315 CO 0.00 -0.16 0.10 0.20 0.00 0.00 0.00 175.76 175.91 3hfa s GLY 316 N -1.65 0.13 0.49 0.00 0.00 -0.34 -0.79 107.32 105.16 3hfa s GLY 316 Ca -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 3hfa s GLY 316 CO -0.02 -0.53 0.65 2.09 0.00 0.00 0.00 173.10 175.29 3hfa n ASP 317 N 1.09 -0.07 0.00 1.64 5.75 -1.00 -1.64 116.55 122.32 3hfa n ASP 317 Ca -0.21 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3hfa n ASP 317 Cb 0.57 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.45 0.20 -3.28 0.11 5.12 -1.26 -4.51 116.66 110.58 3hfa n ARG 318 Ca 0.08 -0.71 -0.37 0.00 -1.93 0.00 0.00 57.85 54.93 3hfa n ARG 318 Cb 0.29 -0.92 -0.06 0.00 -1.16 0.00 0.00 32.46 30.61 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 -0.26 4.11 0.03 5.56 3.52 -1.26 -1.32 118.95 129.33 3hfa s ARG 319 Ca 0.00 0.65 0.05 0.00 -0.13 0.00 0.00 55.73 56.30 3hfa s ARG 319 Cb 0.00 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 3hfa s ARG 319 CO 0.00 0.53 -0.16 -1.54 -0.81 0.00 0.00 175.30 173.32 3hfa s SER 320 N -1.48 1.85 0.09 -2.12 1.04 -0.72 -4.67 113.70 107.68 3hfa s SER 320 Ca 0.35 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.40 3hfa s SER 320 Cb -0.17 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 3hfa s SER 320 CO 0.19 0.08 -0.18 0.42 0.98 0.00 0.00 173.24 174.74 3hfa s THR 321 N -0.77 1.43 -0.44 2.02 -4.23 -1.26 -0.19 115.64 112.20 3hfa s THR 321 Ca 0.03 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3hfa s THR 321 Cb -0.08 -1.33 0.12 0.00 1.34 0.00 0.00 72.50 72.55 3hfa s THR 321 CO 0.01 -0.14 0.17 -1.58 -0.54 0.00 0.00 174.62 172.54 3hfa s GLN 322 N -1.83 1.79 7.93 3.99 0.74 0.34 -4.84 119.66 127.78 3hfa s GLN 322 Ca 0.03 -2.22 0.00 0.00 0.05 0.00 0.00 55.36 53.21 3hfa s GLN 322 Cb -0.10 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.70 3hfa s GLN 322 CO 0.03 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3hfa n GLY 323 N 3.76 3.71 0.14 2.59 0.00 -1.26 -2.11 105.19 112.02 3hfa n GLY 323 Ca 0.04 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.62 1.61 2.35 -2.02 -3.47 115.58 110.43 3hfa h ASN 324 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 3hfa h ASN 324 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hfa h ASN 324 CO 0.00 0.11 0.47 -0.04 -1.65 0.00 0.00 177.43 176.32 3hfa s MET 325 N -3.24 4.61 -0.30 0.81 -1.94 -0.90 -4.99 119.30 113.36 3hfa s MET 325 Ca 0.02 1.73 -0.29 0.00 -1.71 0.00 0.00 55.69 55.44 3hfa s MET 325 Cb 0.08 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.68 3hfa s MET 325 CO 0.76 0.12 1.10 0.42 -0.01 0.00 0.00 175.02 177.40 3hfa s ILE 326 N -0.48 4.49 -0.84 2.53 1.01 -1.26 -0.50 121.20 126.14 3hfa s ILE 326 Ca 0.48 1.72 0.13 0.00 0.00 0.00 0.00 60.65 62.99 3hfa s ILE 326 Cb -0.30 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.70 3hfa s ILE 326 CO 0.36 -0.44 0.63 -1.54 0.00 0.00 0.00 174.94 173.96 3hfa n SER 327 N 6.87 0.91 -3.55 3.58 3.41 0.73 -4.91 113.62 120.66 3hfa n SER 327 Ca 0.12 -0.95 -0.16 0.00 -0.26 0.00 0.00 58.87 57.62 3hfa n SER 327 Cb 0.47 0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 65.18 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 -2.07 -0.51 0.00 5.00 0.00 -0.94 -4.90 107.32 103.90 3hfa s GLY 328 Ca 0.07 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.37 3hfa s GLY 328 CO 0.48 1.11 0.18 0.54 0.00 0.00 0.00 173.10 175.41 3hfa n ARG 329 N 1.17 1.73 -0.46 2.90 1.74 -1.25 -1.76 116.66 120.74 3hfa n ARG 329 Ca -0.17 -0.18 0.03 0.00 -0.77 0.00 0.00 57.85 56.77 3hfa n ARG 329 Cb 0.57 -0.60 0.04 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.30 0.74 -4.75 0.55 5.68 -1.01 -4.63 116.55 112.83 3hfa n ASP 330 Ca 0.00 -2.34 -0.41 0.00 -0.50 0.00 0.00 54.79 51.53 3hfa n ASP 330 Cb 0.05 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 39.73 3hfa n ASP 330 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hfa s VAL 331 N -0.85 2.23 -0.23 2.12 1.01 -0.44 -4.98 120.40 119.26 3hfa s VAL 331 Ca 0.12 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 3hfa s VAL 331 Cb 0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3hfa s VAL 331 CO -0.01 0.03 0.09 -0.13 0.00 0.00 0.00 175.10 175.09 3hfa s ARG 332 N -0.44 3.84 0.00 2.72 0.52 -1.26 -4.24 118.95 120.09 3hfa s ARG 332 Ca 0.62 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 3hfa s ARG 332 Cb -0.46 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.65 3hfa s ARG 332 CO 0.46 -0.02 0.44 1.63 0.02 0.00 0.00 175.30 177.84 3hfa n LYS 333 N 4.45 1.20 -4.03 3.54 5.02 -1.26 -4.95 118.16 122.13 3hfa n LYS 333 Ca -0.16 -0.47 -0.34 0.00 -2.02 0.00 0.00 58.31 55.33 3hfa n LYS 333 Cb 0.52 -0.92 -0.15 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.46 2.55 -0.06 -0.18 1.01 -1.26 -2.48 120.40 119.53 3hfa s VAL 334 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3hfa s VAL 334 Cb 0.02 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3hfa s VAL 334 CO 0.04 0.35 -0.25 -0.31 0.00 0.00 0.00 175.10 174.94 3hfa s TYR 335 N 1.31 2.45 -0.13 5.22 2.02 0.16 -4.96 117.35 123.42 3hfa s TYR 335 Ca 0.02 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 3hfa s TYR 335 Cb -0.15 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3hfa s TYR 335 CO -0.08 -0.22 1.27 0.42 -1.57 0.00 0.00 175.55 175.38 3hfa s ILE 336 N -0.16 4.22 -0.08 2.71 1.01 -1.26 -0.33 121.20 127.31 3hfa s ILE 336 Ca -0.04 1.50 0.16 0.00 0.00 0.00 0.00 60.65 62.27 3hfa s ILE 336 Cb -0.14 -3.97 -0.23 0.00 0.01 0.00 0.00 42.46 38.13 3hfa s ILE 336 CO 0.04 -0.10 0.23 0.35 0.00 0.00 0.00 174.94 175.46 3hfa n THR 337 N 5.19 0.47 -3.19 2.92 -2.24 -0.50 -4.94 114.28 111.98 3hfa n THR 337 Ca 0.13 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3hfa n THR 337 Cb 0.45 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.30 -0.16 0.30 3.42 5.68 -1.17 -4.47 116.55 117.85 3hfa n ASP 338 Ca -0.13 -1.13 0.19 0.00 -0.50 0.00 0.00 54.79 53.22 3hfa n ASP 338 Cb 0.69 0.27 1.02 0.00 -1.14 0.00 0.00 41.12 41.96 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 0.15 0.00 0.00 -1.12 3.32 -1.95 -3.05 116.42 113.77 3hfa h ASP 339 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hfa h ASP 339 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hfa h ASP 339 CO 0.03 0.00 -0.27 -1.22 -1.72 0.00 0.00 179.24 176.06 3hfa n TYR 340 N -3.47 0.00 -3.95 4.55 4.01 -1.26 -0.03 117.16 117.01 3hfa n TYR 340 Ca -0.02 -0.31 -0.09 0.00 -0.16 0.00 0.00 57.90 57.31 3hfa n TYR 340 Cb 0.13 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.86 0.12 0.02 -0.72 -4.23 -1.15 -1.16 115.64 107.64 3hfa s THR 341 Ca 0.09 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3hfa s THR 341 Cb 0.08 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 3hfa s THR 341 CO 0.01 -0.53 -0.04 0.00 -0.54 0.00 0.00 174.62 173.53 3hfa s ALA 342 N -1.85 0.23 -0.09 3.99 0.00 0.40 -1.41 121.76 123.02 3hfa s ALA 342 Ca -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3hfa s ALA 342 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 342 CO -0.02 -0.07 -0.20 0.99 0.00 0.00 0.00 175.76 176.46 3hfa s THR 343 N -1.00 1.76 -0.09 0.00 2.01 0.55 -1.15 115.64 117.72 3hfa s THR 343 Ca -0.09 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.08 3hfa s THR 343 Cb -0.07 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3hfa s THR 343 CO -0.00 0.49 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.44 3hfa s GLY 344 N 0.45 1.50 -0.06 4.40 0.00 -0.46 -0.66 107.32 112.48 3hfa s GLY 344 Ca -0.17 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.63 3hfa s GLY 344 CO 0.07 -0.45 -0.12 -0.42 0.00 0.00 0.00 173.10 172.18 3hfa s ILE 345 N -0.09 1.11 -0.01 0.90 1.01 -1.03 0.37 121.20 123.45 3hfa s ILE 345 Ca -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3hfa s ILE 345 Cb -0.14 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3hfa s ILE 345 CO 0.04 0.35 -0.04 0.00 0.00 0.00 0.00 174.94 175.29 3hfa s ALA 346 N 0.68 3.13 0.00 9.38 0.00 -0.72 -4.95 121.76 129.29 3hfa s ALA 346 Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3hfa s ALA 346 Cb -0.16 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3hfa s ALA 346 CO 0.03 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.82 3hfa n GLY 347 N 1.62 0.51 3.69 0.00 0.00 -1.26 -0.72 105.19 109.03 3hfa n GLY 347 Ca -0.16 -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 0.66 0.33 -0.03 2.61 -1.04 -0.04 -4.83 114.28 111.94 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 -0.02 0.00 -1.82 0.00 0.00 70.33 67.18 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 7.70 -0.15 -0.78 2.41 0.00 -1.96 -0.36 119.26 126.12 3hfa h ALA 349 Ca -0.45 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 349 Cb 1.31 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 3hfa h ALA 349 CO 0.97 -0.67 0.43 0.00 0.00 0.00 0.00 179.25 179.98 3hfa h ALA 350 N 0.76 1.10 -0.39 0.00 0.00 -2.00 -1.69 119.26 117.04 3hfa h ALA 350 Ca 0.13 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 350 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hfa h ALA 350 CO -0.36 0.05 -0.33 0.28 0.00 0.00 0.00 179.25 178.90 3hfa h VAL 351 N 0.73 1.27 -0.23 0.00 2.07 -1.75 -2.78 116.25 115.56 3hfa h VAL 351 Ca 0.38 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3hfa h VAL 351 Cb 0.35 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3hfa h VAL 351 CO -0.25 0.50 0.14 0.00 0.02 0.00 0.00 177.57 177.99 3hfa h ALA 352 N 0.78 0.30 -0.39 1.67 0.00 -0.36 -0.42 119.26 120.84 3hfa h ALA 352 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 352 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hfa h ALA 352 CO 0.09 -0.20 0.15 0.28 0.00 0.00 0.00 179.25 179.56 3hfa h VAL 353 N 0.29 1.20 -0.27 0.00 2.07 -1.38 -1.90 116.25 116.26 3hfa h VAL 353 Ca 0.08 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3hfa h VAL 353 Cb 0.01 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3hfa h VAL 353 CO -0.02 0.22 -0.12 -0.33 0.02 0.00 0.00 177.57 177.35 3hfa h GLU 354 N 0.49 -0.08 0.15 1.57 5.08 -1.28 -1.02 114.58 119.49 3hfa h GLU 354 Ca 0.13 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3hfa h GLU 354 Cb 0.21 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3hfa h GLU 354 CO -0.01 -0.05 -0.44 0.74 -1.00 0.00 0.00 179.01 178.25 3hfa h PHE 355 N -0.08 -1.24 -0.62 4.33 0.04 -0.72 0.51 116.94 119.16 3hfa h PHE 355 Ca 0.14 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.96 3hfa h PHE 355 Cb 0.29 0.52 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 3hfa h PHE 355 CO -0.31 -0.54 0.39 0.00 -0.60 0.00 0.00 178.31 177.25 3hfa h ALA 356 N -0.28 0.79 0.13 2.45 0.00 -1.14 0.83 119.26 122.06 3hfa h ALA 356 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 356 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hfa h ALA 356 CO -0.23 0.16 -0.06 -0.09 0.00 0.00 0.00 179.25 179.02 3hfa h ARG 357 N 0.78 -0.17 -0.79 0.00 2.43 -1.00 -2.45 114.38 113.18 3hfa h ARG 357 Ca 0.24 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3hfa h ARG 357 Cb -0.02 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3hfa h ARG 357 CO -0.08 0.22 0.33 1.25 -1.51 0.00 0.00 179.97 180.17 3hfa h LEU 358 N -0.61 1.07 -0.33 3.80 5.85 -0.78 -2.06 115.31 122.25 3hfa h LEU 358 Ca -0.02 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3hfa h LEU 358 Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3hfa h LEU 358 CO 0.03 0.94 0.12 0.22 -0.34 0.00 0.00 178.44 179.41 3hfa h TYR 359 N 1.14 0.51 -0.65 1.25 3.20 -0.85 0.86 116.97 122.44 3hfa h TYR 359 Ca 0.26 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3hfa h TYR 359 Cb 0.20 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3hfa h TYR 359 CO 0.02 0.50 0.19 0.00 -1.64 0.00 0.00 178.16 177.23 3hfa h ALA 360 N 0.96 1.11 -0.34 1.82 0.00 -1.29 -0.92 119.26 120.59 3hfa h ALA 360 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hfa h ALA 360 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hfa h ALA 360 CO -0.01 0.60 0.20 0.28 0.00 0.00 0.00 179.25 180.33 3hfa h VAL 361 N 0.96 1.12 -0.74 0.00 2.07 -0.99 -2.68 116.25 115.99 3hfa h VAL 361 Ca 0.21 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hfa h VAL 361 Cb 0.29 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3hfa h VAL 361 CO -0.01 0.12 0.32 -0.08 0.02 0.00 0.00 177.57 177.95 3hfa h GLU 362 N 0.44 1.09 -0.31 1.57 4.81 -0.30 0.14 114.58 122.02 3hfa h GLU 362 Ca 0.12 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3hfa h GLU 362 Cb 0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hfa h GLU 362 CO -0.02 0.88 0.19 -0.07 -0.73 0.00 0.00 179.01 179.25 3hfa h LEU 363 N 1.05 0.37 -0.42 1.64 4.07 -1.09 -1.74 115.31 119.18 3hfa h LEU 363 Ca 0.25 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.99 3hfa h LEU 363 Cb 0.18 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3hfa h LEU 363 CO -0.02 0.30 -0.79 -0.08 -1.08 0.00 0.00 178.44 176.76 3hfa h GLU 364 N 0.40 0.11 -0.31 1.13 4.81 -1.26 -2.59 114.58 116.87 3hfa h GLU 364 Ca 0.11 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3hfa h GLU 364 Cb -0.00 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3hfa h GLU 364 CO -0.02 0.84 0.07 1.25 -0.73 0.00 0.00 179.01 180.42 3hfa h HIS 365 N 0.07 0.12 -0.15 0.92 2.76 -0.48 -0.29 115.15 118.10 3hfa h HIS 365 Ca -0.02 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.38 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 3hfa h HIS 365 CO 0.02 0.03 0.09 -0.92 -1.30 0.00 0.00 177.93 175.85 3hfa h TYR 366 N 0.19 0.21 -0.56 5.26 3.20 -1.22 -1.38 116.97 122.67 3hfa h TYR 366 Ca 0.14 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.08 3hfa h TYR 366 Cb 0.15 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3hfa h TYR 366 CO -0.17 0.20 0.25 1.49 -1.64 0.00 0.00 178.16 178.29 3hfa h GLU 367 N 0.16 0.45 -0.45 1.82 4.81 -1.10 0.16 114.58 120.42 3hfa h GLU 367 Ca 0.05 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3hfa h GLU 367 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3hfa h GLU 367 CO -0.01 0.30 -0.23 0.87 -0.73 0.00 0.00 179.01 179.21 3hfa h LYS 368 N 0.46 0.93 -0.32 1.92 1.57 -0.92 0.19 116.57 120.40 3hfa h LYS 368 Ca 0.26 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3hfa h LYS 368 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hfa h LYS 368 CO -0.23 1.05 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.47 3hfa h LEU 369 N 0.80 0.71 -0.28 2.94 3.38 -0.60 -3.35 115.31 118.91 3hfa h LEU 369 Ca 0.10 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hfa h LEU 369 Cb 0.79 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hfa h LEU 369 CO 0.07 0.97 -0.72 -0.62 0.09 0.00 0.00 178.44 178.22 3hfa n GLU 370 N -4.35 1.14 -0.14 1.13 -0.58 0.49 -4.98 120.64 113.36 3hfa n GLU 370 Ca -0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 3hfa n GLU 370 Cb 0.40 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 1.38 2.12 3.01 0.62 0.00 0.68 -4.98 105.19 108.01 3hfa n GLY 371 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.94 0.12 0.66 1.61 0.11 -1.20 -4.98 120.40 113.78 3hfa s VAL 372 Ca 0.00 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 57.92 3hfa s VAL 372 Cb 0.00 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 3hfa s VAL 372 CO 0.00 -0.55 1.07 -2.84 -3.33 0.00 0.00 175.10 169.46 3hfa s PRO 373 N -1.76 2.95 0.55 1.54 0.02 -1.26 -3.96 135.00 133.08 3hfa s PRO 373 Ca -0.13 1.18 -0.20 0.00 0.02 0.00 0.00 61.00 61.86 3hfa s PRO 373 Cb -0.08 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3hfa s PRO 373 CO -0.02 -1.11 1.08 1.28 -0.33 0.00 0.00 177.00 177.90 3hfa n LEU 374 N -2.61 3.98 -4.67 -5.54 4.32 -1.26 -5.00 117.00 106.22 3hfa n LEU 374 Ca 0.09 0.89 -0.30 0.00 -0.02 0.00 0.00 56.01 56.67 3hfa n LEU 374 Cb 0.53 -1.43 0.16 0.00 -1.62 0.00 0.00 43.42 41.06 3hfa n LEU 374 CO 0.50 -1.45 0.65 0.42 -1.22 0.00 0.00 177.39 176.29 3hfa s THR 375 N -1.41 2.47 0.24 -5.08 -4.23 -1.26 -4.79 115.64 101.58 3hfa s THR 375 Ca 0.72 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 3hfa s THR 375 Cb -0.44 -2.42 0.23 0.00 1.34 0.00 0.00 72.50 71.20 3hfa s THR 375 CO 0.49 -0.20 1.88 0.15 -0.54 0.00 0.00 174.62 176.41 3hfa h PHE 376 N -1.79 1.24 -0.69 3.99 3.57 -1.98 -0.99 116.94 120.30 3hfa h PHE 376 Ca -0.49 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.06 3hfa h PHE 376 Cb 1.28 -0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3hfa h PHE 376 CO 0.44 0.83 0.38 0.00 -2.23 0.00 0.00 178.31 177.74 3hfa h ALA 377 N 1.31 0.93 -0.74 2.41 0.00 -2.00 -0.49 119.26 120.69 3hfa h ALA 377 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3hfa h ALA 377 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3hfa h ALA 377 CO -0.06 0.05 0.45 0.78 0.00 0.00 0.00 179.25 180.48 3hfa h GLY 378 N 0.70 1.07 0.97 0.00 0.00 -1.61 -0.95 103.07 103.26 3hfa h GLY 378 Ca 0.31 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3hfa h GLY 378 CO -0.19 0.43 0.48 0.50 0.00 0.00 0.00 176.54 177.75 3hfa h LYS 379 N 1.01 0.94 -0.05 4.80 1.57 -0.17 -1.38 116.57 123.29 3hfa h LYS 379 Ca 0.27 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3hfa h LYS 379 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3hfa h LYS 379 CO -0.05 0.62 -0.01 0.82 -0.57 0.00 0.00 179.45 180.25 3hfa h ILE 380 N 0.96 0.95 -0.62 1.86 2.04 -0.73 -2.46 117.51 119.50 3hfa h ILE 380 Ca 0.27 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.15 3hfa h ILE 380 Cb -0.08 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3hfa h ILE 380 CO -0.07 0.00 0.40 -1.13 0.00 0.00 0.00 178.15 177.35 3hfa h ASN 381 N -0.00 0.68 -0.63 1.72 -1.24 -0.76 -0.64 115.58 114.70 3hfa h ASN 381 Ca 0.03 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 3hfa h ASN 381 Cb 0.04 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 3hfa h ASN 381 CO -0.05 0.48 0.21 0.03 -1.29 0.00 0.00 177.43 176.81 3hfa h ARG 382 N 0.81 0.98 -0.56 6.67 2.47 -1.16 0.16 114.38 123.75 3hfa h ARG 382 Ca 0.24 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3hfa h ARG 382 Cb -0.05 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.10 3hfa h ARG 382 CO -0.07 0.85 0.29 1.25 0.56 0.00 0.00 179.97 182.85 3hfa h LEU 383 N 0.91 0.71 -0.45 3.04 5.85 -1.04 -1.39 115.31 122.93 3hfa h LEU 383 Ca 0.21 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hfa h LEU 383 Cb 0.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3hfa h LEU 383 CO -0.01 0.62 0.25 0.00 -0.34 0.00 0.00 178.44 178.97 3hfa h ALA 384 N 1.12 0.58 -0.80 1.25 0.00 -0.66 -0.82 119.26 119.94 3hfa h ALA 384 Ca 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hfa h ALA 384 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3hfa h ALA 384 CO -0.03 0.10 0.32 0.82 0.00 0.00 0.00 179.25 180.46 3hfa h ILE 385 N 0.59 1.26 -0.52 0.00 2.04 -0.85 -0.21 117.51 119.82 3hfa h ILE 385 Ca 0.16 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3hfa h ILE 385 Cb 0.04 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3hfa h ILE 385 CO -0.03 0.34 0.26 -0.03 0.00 0.00 0.00 178.15 178.70 3hfa h MET 386 N 1.16 0.75 -0.45 2.37 4.05 -0.85 -1.17 114.93 120.79 3hfa h MET 386 Ca 0.27 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3hfa h MET 386 Cb 0.21 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3hfa h MET 386 CO -0.02 0.60 0.21 0.28 0.23 0.00 0.00 176.91 178.21 3hfa h VAL 387 N 0.70 1.19 -0.98 -5.77 2.07 -0.70 -2.61 116.25 110.15 3hfa h VAL 387 Ca 0.18 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3hfa h VAL 387 Cb 0.09 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3hfa h VAL 387 CO -0.03 0.21 0.63 -0.09 0.02 0.00 0.00 177.57 178.32 3hfa h ARG 388 N 0.59 1.09 -0.03 1.57 2.43 -0.77 -0.52 114.38 118.74 3hfa h ARG 388 Ca 0.15 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 388 Cb 0.13 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3hfa h ARG 388 CO -0.02 0.72 0.05 0.78 -1.51 0.00 0.00 179.97 180.00 3hfa h GLY 389 N 1.12 0.00 -1.13 2.80 0.00 -0.82 -1.21 103.07 103.84 3hfa h GLY 389 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3hfa h GLY 389 CO -0.18 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.35 3hfa n ASN 390 N -3.46 2.17 -0.12 0.19 5.15 -0.21 -4.53 115.26 114.45 3hfa n ASN 390 Ca -0.02 -1.73 -0.04 0.00 -0.60 0.00 0.00 54.58 52.19 3hfa n ASN 390 Cb 0.13 -0.02 0.03 0.00 -0.53 0.00 0.00 39.78 39.39 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 3.34 -0.26 -0.24 1.20 5.85 -1.19 0.24 115.31 124.25 3hfa h LEU 391 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3hfa h LEU 391 Cb 0.71 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3hfa h LEU 391 CO 0.00 -0.09 -0.11 0.00 -0.34 0.00 0.00 178.44 177.90 3hfa h ALA 392 N 1.38 0.09 -0.48 1.25 0.00 -1.81 0.20 119.26 119.90 3hfa h ALA 392 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3hfa h ALA 392 Cb 0.30 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hfa h ALA 392 CO -0.37 -0.52 0.10 0.00 0.00 0.00 0.00 179.25 178.46 3hfa h ALA 393 N 1.13 1.28 -0.59 0.00 0.00 -1.66 -2.64 119.26 116.78 3hfa h ALA 393 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hfa h ALA 393 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 393 CO -0.29 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.58 3hfa h ALA 394 N 1.41 1.10 0.00 0.00 0.00 0.55 -0.40 119.26 121.92 3hfa h ALA 394 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hfa h ALA 394 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hfa h ALA 394 CO 0.00 0.59 0.00 0.52 0.00 0.00 0.00 179.25 180.36 3hfa h MET 395 N 0.88 0.00 -0.34 0.00 2.86 -0.64 -0.57 114.93 117.12 3hfa h MET 395 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3hfa h MET 395 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3hfa h MET 395 CO 0.00 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.01 3hfa n GLN 396 N -2.57 2.12 0.00 1.72 1.13 -0.29 -4.93 117.38 114.56 3hfa n GLN 396 Ca 0.01 -1.71 0.00 0.00 -1.94 0.00 0.00 57.00 53.35 3hfa n GLN 396 Cb 0.20 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.12 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 0.37 2.61 1.08 0.00 -0.22 -5.00 105.19 105.35 3hfa n GLY 397 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 7.58 -4.74 0.99 4.77 -0.45 -4.88 117.00 120.27 3hfa n LEU 398 Ca 0.00 -4.97 -0.36 0.00 -0.03 0.00 0.00 56.01 50.64 3hfa n LEU 398 Cb 0.00 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 39.68 3hfa n LEU 398 CO 0.00 1.92 -0.02 -0.22 -1.33 0.00 0.00 177.39 177.74 3hfa s LEU 399 N -2.28 4.26 -0.04 2.23 2.96 -1.26 -3.71 118.68 120.83 3hfa s LEU 399 Ca 0.47 0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 54.87 3hfa s LEU 399 Cb 0.16 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3hfa s LEU 399 CO -0.07 0.13 0.11 0.00 -1.32 0.00 0.00 176.35 175.20 3hfa s ALA 400 N 0.32 -0.27 -0.13 5.97 0.00 -1.26 -0.86 121.76 125.53 3hfa s ALA 400 Ca 0.17 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3hfa s ALA 400 Cb -0.13 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3hfa s ALA 400 CO 0.04 -0.07 -0.16 -0.51 0.00 0.00 0.00 175.76 175.06 3hfa s LEU 401 N 0.22 1.81 0.39 0.00 1.43 0.10 -4.93 118.68 117.70 3hfa s LEU 401 Ca -0.01 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 3hfa s LEU 401 Cb -0.02 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 3hfa s LEU 401 CO -0.01 0.00 0.83 -2.16 0.23 0.00 0.00 176.35 175.25 3hfa s PRO 402 N 1.13 3.99 -0.10 1.29 0.05 -1.26 -1.75 135.00 138.34 3hfa s PRO 402 Ca -0.02 0.76 0.04 0.00 0.05 0.00 0.00 61.00 61.82 3hfa s PRO 402 Cb -0.14 -2.32 -0.00 0.00 0.05 0.00 0.00 34.50 32.08 3hfa s PRO 402 CO -0.05 0.00 -0.23 -1.17 0.05 0.00 0.00 177.00 175.60 3hfa s LEU 403 N -3.40 2.16 -0.16 -3.56 2.96 0.16 -3.62 118.68 113.21 3hfa s LEU 403 Ca 0.56 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3hfa s LEU 403 Cb -0.10 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3hfa s LEU 403 CO 0.22 0.16 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.12 3hfa s LEU 404 N 0.34 3.00 -0.03 -0.68 2.96 0.15 -1.35 118.68 123.07 3hfa s LEU 404 Ca -0.18 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 3hfa s LEU 404 Cb -0.18 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3hfa s LEU 404 CO 0.09 0.12 -0.26 0.00 -1.32 0.00 0.00 176.35 174.98 3hfa s ALA 405 N 0.63 2.16 0.25 5.97 0.00 -0.30 -0.25 121.76 130.22 3hfa s ALA 405 Ca -0.04 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 3hfa s ALA 405 Cb -0.15 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3hfa s ALA 405 CO 0.03 0.51 0.60 0.20 0.00 0.00 0.00 175.76 177.10 3hfa s GLY 406 N -0.55 0.15 -0.17 0.00 0.00 0.16 -0.46 107.32 106.44 3hfa s GLY 406 Ca 0.08 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3hfa s GLY 406 CO -0.00 -0.32 -0.15 -0.47 0.00 0.00 0.00 173.10 172.16 3hfa s TYR 407 N -3.95 2.46 -0.58 1.90 5.04 -0.31 0.56 117.35 122.47 3hfa s TYR 407 Ca 0.15 -1.48 -0.23 0.00 -2.44 0.00 0.00 57.07 53.07 3hfa s TYR 407 Cb -0.03 -1.72 0.05 0.00 0.35 0.00 0.00 41.96 40.61 3hfa s TYR 407 CO 0.06 -0.74 0.90 0.34 -1.34 0.00 0.00 175.55 174.78 3hfa s ASP 408 N 1.39 6.27 0.61 4.32 2.15 -0.12 -4.88 116.67 126.41 3hfa s ASP 408 Ca 0.03 -0.63 0.39 0.00 0.43 0.00 0.00 52.55 52.76 3hfa s ASP 408 Cb -0.14 -2.41 1.92 0.00 -0.30 0.00 0.00 42.92 41.99 3hfa s ASP 408 CO -0.11 -1.25 2.20 0.16 -0.17 0.00 0.00 175.17 176.00 3hfa h ILE 409 N 5.98 0.07 -0.02 4.11 3.07 -1.97 -1.86 117.51 126.91 3hfa h ILE 409 Ca -0.27 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.89 3hfa h ILE 409 Cb 1.08 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 3hfa h ILE 409 CO 1.10 0.01 -0.05 1.41 -1.05 0.00 0.00 178.15 179.58 3hfa n HIS 410 N -3.16 0.00 -2.03 0.16 8.25 -1.26 -4.94 115.22 112.24 3hfa n HIS 410 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.18 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.08 2.68 0.03 -1.41 0.00 -0.70 -4.96 121.76 115.32 3hfa s ALA 411 Ca 0.34 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 3hfa s ALA 411 Cb 0.21 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.70 3hfa s ALA 411 CO 0.36 -1.09 1.35 0.77 0.00 0.00 0.00 175.76 177.15 3hfa h SER 412 N 1.23 -0.38 -3.32 0.00 0.02 -1.92 -3.41 113.55 105.78 3hfa h SER 412 Ca -0.50 -0.13 -0.73 0.00 -0.84 0.00 0.00 61.79 59.58 3hfa h SER 412 Cb 1.29 0.10 -0.26 0.00 0.14 0.00 0.00 62.40 63.67 3hfa h SER 412 CO 0.57 -0.07 -0.37 -0.62 -1.14 0.00 0.00 176.83 175.20 3hfa s ASP 413 N -4.99 5.92 0.60 3.07 2.15 -1.26 -4.95 116.67 117.20 3hfa s ASP 413 Ca -0.15 -1.55 0.30 0.00 0.43 0.00 0.00 52.55 51.59 3hfa s ASP 413 Cb 0.03 -2.10 1.75 0.00 -0.30 0.00 0.00 42.92 42.30 3hfa s ASP 413 CO 0.57 -0.65 2.14 -0.65 -0.17 0.00 0.00 175.17 176.41 3hfa h PRO 414 N 8.61 0.00 -0.43 4.34 0.11 -1.95 -1.18 132.00 141.51 3hfa h PRO 414 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 3hfa h PRO 414 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hfa h PRO 414 CO 0.86 0.00 0.08 1.96 -0.21 0.00 0.00 178.00 180.69 3hfa h GLN 415 N 0.00 0.66 -0.09 1.05 1.08 -1.92 -3.16 115.11 112.72 3hfa h GLN 415 Ca 0.06 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3hfa h GLN 415 Cb 0.36 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3hfa h GLN 415 CO -0.00 0.62 -0.28 -1.13 -0.95 0.00 0.00 178.83 177.08 3hfa n SER 416 N -4.30 2.13 0.00 1.46 3.41 -0.48 -0.74 113.62 115.10 3hfa n SER 416 Ca 0.03 -3.67 0.14 0.00 -0.26 0.00 0.00 58.87 55.10 3hfa n SER 416 Cb 0.22 -0.54 0.70 0.00 -0.26 0.00 0.00 64.21 64.33 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 2.38 -1.77 7.33 0.00 -0.99 -4.81 120.51 121.50 3hfa n ALA 417 Ca 0.22 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 3hfa n ALA 417 Cb 0.77 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.56 2.93 -0.01 0.00 0.00 -1.26 -0.94 107.32 105.47 3hfa s GLY 418 Ca 0.26 1.26 0.03 0.00 0.00 0.00 0.00 44.72 46.28 3hfa s GLY 418 CO 0.42 1.86 -0.09 0.50 0.00 0.00 0.00 173.10 175.78 3hfa s ARG 419 N -2.24 0.82 -0.08 2.90 1.81 0.19 -4.90 118.95 117.45 3hfa s ARG 419 Ca 0.57 -0.33 0.01 0.00 -1.72 0.00 0.00 55.73 54.26 3hfa s ARG 419 Cb -0.39 -0.79 0.02 0.00 -0.45 0.00 0.00 34.95 33.34 3hfa s ARG 419 CO 0.50 0.18 -0.10 0.42 -0.68 0.00 0.00 175.30 175.62 3hfa s ILE 420 N -0.12 1.04 -0.06 1.52 1.01 -1.26 -0.67 121.20 122.66 3hfa s ILE 420 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hfa s ILE 420 Cb -0.05 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3hfa s ILE 420 CO -0.00 0.34 -0.09 -0.69 0.00 0.00 0.00 174.94 174.50 3hfa s VAL 421 N 0.96 0.90 0.23 2.92 1.01 0.66 -0.59 120.40 126.50 3hfa s VAL 421 Ca -0.09 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3hfa s VAL 421 Cb -0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3hfa s VAL 421 CO 0.00 0.31 0.19 -0.94 0.00 0.00 0.00 175.10 174.66 3hfa s SER 422 N 0.81 5.56 0.01 3.32 1.04 -0.53 -0.68 113.70 123.23 3hfa s SER 422 Ca -0.12 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.11 3hfa s SER 422 Cb -0.15 -1.44 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 3hfa s SER 422 CO 0.02 -0.02 -0.05 -0.36 0.98 0.00 0.00 173.24 173.82 3hfa s PHE 423 N -2.04 0.40 0.47 5.02 0.08 -1.24 -0.98 117.98 119.70 3hfa s PHE 423 Ca 0.32 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.26 3hfa s PHE 423 Cb -0.08 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.13 3hfa s PHE 423 CO 0.25 -0.04 0.53 0.16 -0.10 0.00 0.00 175.22 176.02 3hfa s ASP 424 N -0.50 5.14 0.51 1.36 1.47 -0.07 -4.71 116.67 119.87 3hfa s ASP 424 Ca -0.02 -0.77 0.34 0.00 1.18 0.00 0.00 52.55 53.27 3hfa s ASP 424 Cb -0.04 -0.23 1.61 0.00 -0.34 0.00 0.00 42.92 43.92 3hfa s ASP 424 CO -0.00 -0.91 2.02 0.00 0.68 0.00 0.00 175.17 176.95 3hfa h ALA 425 N 0.69 1.00 -0.20 2.11 0.00 -1.92 -1.88 119.26 119.07 3hfa h ALA 425 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3hfa n ALA 426 N -1.99 2.48 -0.18 0.00 0.00 -1.26 -4.41 120.51 115.14 3hfa n ALA 426 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3hfa n ALA 426 Cb 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.31 0.72 3.77 0.00 0.00 -0.71 -4.53 105.19 105.75 3hfa n GLY 427 Ca 0.17 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 -1.52 2.92 0.09 -0.02 0.00 -1.25 -4.74 107.32 102.80 3hfa s GLY 428 Ca 0.00 1.33 0.05 0.00 0.00 0.00 0.00 44.72 46.10 3hfa s GLY 428 CO 0.00 1.92 -0.13 0.66 0.00 0.00 0.00 173.10 175.56 3hfa s TRP 429 N -1.24 1.20 -0.04 1.90 1.48 -1.26 -0.89 118.94 120.09 3hfa s TRP 429 Ca 0.59 -0.55 -0.02 0.00 -1.06 0.00 0.00 56.10 55.06 3hfa s TRP 429 Cb -0.40 -0.65 0.03 0.00 -1.16 0.00 0.00 33.47 31.29 3hfa s TRP 429 CO 0.52 0.06 0.08 1.21 -4.06 0.00 0.00 176.95 174.76 3hfa s ASN 430 N -2.18 0.63 -0.36 -2.66 2.47 -0.15 -4.98 114.94 107.71 3hfa s ASN 430 Ca 0.03 0.14 -0.29 0.00 0.42 0.00 0.00 52.86 53.16 3hfa s ASN 430 Cb -0.06 -0.01 0.02 0.00 -1.45 0.00 0.00 41.25 39.74 3hfa s ASN 430 CO 0.02 -0.20 1.19 -0.63 -3.72 0.00 0.00 177.10 173.75 3hfa s ILE 431 N 1.77 4.27 0.17 -5.21 1.01 -1.26 -1.45 121.20 120.50 3hfa s ILE 431 Ca -0.01 1.40 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 3hfa s ILE 431 Cb -0.12 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 37.89 3hfa s ILE 431 CO -0.04 -0.65 1.41 -0.70 0.00 0.00 0.00 174.94 174.97 3hfa s GLU 432 N 4.13 4.31 0.00 2.79 2.56 0.25 -4.93 118.70 127.80 3hfa s GLU 432 Ca 0.51 2.17 0.09 0.00 0.00 0.00 0.00 54.97 57.73 3hfa s GLU 432 Cb -0.12 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.82 3hfa s GLU 432 CO 0.24 -0.42 0.60 0.39 -0.56 0.00 0.00 175.26 175.50 3hfa n GLU 433 N 3.30 2.02 -0.17 4.30 1.02 -1.26 -4.60 120.64 125.24 3hfa n GLU 433 Ca 0.10 -0.59 0.12 0.00 -0.02 0.00 0.00 57.16 56.76 3hfa n GLU 433 Cb 0.41 -1.05 0.21 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.22 2.51 0.00 3.49 1.02 -1.26 -4.97 120.64 121.20 3hfa n GLU 434 Ca 0.04 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 3hfa n GLU 434 Cb 0.18 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.50 3.22 3.54 0.62 0.00 -1.26 -5.02 105.19 107.79 3hfa n GLY 435 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.82 0.00 0.16 1.61 -0.85 -1.26 -0.30 117.35 113.89 3hfa s TYR 436 Ca 0.00 -0.36 -0.24 0.00 -0.52 0.00 0.00 57.07 55.95 3hfa s TYR 436 Cb 0.00 0.34 0.06 0.00 0.38 0.00 0.00 41.96 42.74 3hfa s TYR 436 CO 0.00 -0.94 0.72 -1.14 -1.52 0.00 0.00 175.55 172.67 3hfa s GLN 437 N -3.91 1.32 0.00 -3.49 2.00 -0.33 -4.95 119.66 110.31 3hfa s GLN 437 Ca 0.12 -0.60 -0.20 0.00 -2.00 0.00 0.00 55.36 52.68 3hfa s GLN 437 Cb -0.01 0.54 0.04 0.00 0.80 0.00 0.00 33.01 34.38 3hfa s GLN 437 CO 0.00 -0.59 0.45 0.00 -0.50 0.00 0.00 175.29 174.65 3hfa s ALA 438 N -3.63 -1.14 0.05 1.58 0.00 -1.26 -1.39 121.76 115.96 3hfa s ALA 438 Ca 0.06 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3hfa s ALA 438 Cb -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3hfa s ALA 438 CO -0.05 -0.37 -0.06 0.54 0.00 0.00 0.00 175.76 175.81 3hfa s VAL 439 N -1.78 0.46 0.00 0.00 0.11 -0.25 -4.88 120.40 114.05 3hfa s VAL 439 Ca -0.09 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 3hfa s VAL 439 Cb -0.02 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3hfa s VAL 439 CO 0.03 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.86 3hfa n GLY 440 N 1.11 1.23 0.33 6.54 0.00 -1.26 -1.10 105.19 112.04 3hfa n GLY 440 Ca -0.20 -2.21 0.19 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.35 1.61 4.64 -1.08 -1.20 113.55 117.18 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 -1.20 3.10 0.30 -0.77 0.00 -1.12 -4.72 105.19 100.78 3hfa n GLY 442 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.43 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 2.10 0.58 -0.01 1.61 4.64 -1.45 -1.55 113.55 119.47 3hfa h SER 443 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hfa h SER 443 Cb 0.96 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3hfa h SER 443 CO 0.07 0.52 0.00 -0.07 -0.87 0.00 0.00 176.83 176.49 3hfa h LEU 444 N 0.64 0.01 -0.82 5.97 4.07 -1.84 -0.04 115.31 123.29 3hfa h LEU 444 Ca 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 444 Cb 0.12 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 3hfa h LEU 444 CO -0.02 0.01 0.45 -0.26 -1.08 0.00 0.00 178.44 177.54 3hfa h PHE 445 N 0.00 1.13 -0.56 1.13 0.04 -1.82 -0.94 116.94 115.93 3hfa h PHE 445 Ca 0.00 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 3hfa h PHE 445 Cb 0.01 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.77 3hfa h PHE 445 CO -0.08 0.79 0.12 0.00 -0.60 0.00 0.00 178.31 178.55 3hfa h ALA 446 N 1.24 0.73 -0.21 2.45 0.00 -1.07 -1.75 119.26 120.65 3hfa h ALA 446 Ca 0.29 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 446 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hfa h ALA 446 CO -0.05 0.45 -0.49 0.87 0.00 0.00 0.00 179.25 180.04 3hfa h LYS 447 N 0.80 0.55 0.00 0.00 1.57 -0.74 -0.42 116.57 118.33 3hfa h LYS 447 Ca 0.17 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3hfa h LYS 447 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hfa h LYS 447 CO 0.00 0.91 -0.43 0.77 -0.57 0.00 0.00 179.45 180.13 3hfa h SER 448 N 0.44 0.00 -0.02 0.86 0.02 -1.06 0.14 113.55 113.93 3hfa h SER 448 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3hfa h SER 448 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3hfa h SER 448 CO 0.09 0.43 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.90 3hfa h SER 449 N 0.00 0.07 -0.48 3.07 0.87 -1.02 -3.26 113.55 112.79 3hfa h SER 449 Ca -0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 59.96 3hfa h SER 449 Cb 0.82 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 3hfa h SER 449 CO 0.06 0.65 0.30 0.24 -0.53 0.00 0.00 176.83 177.55 3hfa h MET 450 N -0.52 0.66 -0.98 2.24 2.07 -0.90 -1.42 114.93 116.07 3hfa h MET 450 Ca -0.00 -0.05 0.19 0.00 -2.07 0.00 0.00 59.70 57.77 3hfa h MET 450 Cb 0.64 -0.14 -0.10 0.00 -1.87 0.00 0.00 31.60 30.14 3hfa h MET 450 CO 0.01 0.46 0.61 -0.22 1.07 0.00 0.00 176.91 178.84 3hfa h LYS 451 N 0.67 0.69 0.00 1.72 3.64 -1.01 0.29 116.57 122.58 3hfa h LYS 451 Ca 0.18 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.28 3hfa h LYS 451 Cb -0.04 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 3hfa h LYS 451 CO -0.04 0.46 -1.40 0.87 -2.27 0.00 0.00 179.45 177.08 3hfa h LYS 452 N 0.71 0.00 0.00 1.90 1.79 -1.34 -3.39 116.57 116.24 3hfa h LYS 452 Ca 0.55 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 3hfa h LYS 452 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3hfa h LYS 452 CO -0.32 0.56 -1.37 1.28 -1.08 0.00 0.00 179.45 178.51 3hfa n LEU 453 N -3.09 0.52 0.25 2.94 4.77 -0.68 -4.51 117.00 117.21 3hfa n LEU 453 Ca -0.10 -0.16 0.09 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.45 0.09 1.00 0.22 -1.33 0.00 0.00 177.39 177.82 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.64 -0.63 116.97 117.13 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 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3hfa h TYR 454 CO 0.00 0.09 0.00 0.66 -1.64 0.00 0.00 178.16 177.27 3hfa h SER 455 N 0.00 0.00 0.41 -2.11 4.64 -1.83 -1.05 113.55 113.62 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3hfa h SER 455 CO 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.83 3hfa n GLN 456 N -2.76 0.59 -2.75 4.77 6.02 -0.24 -4.81 117.38 118.20 3hfa n GLN 456 Ca -0.01 -0.22 -0.43 0.00 -0.01 0.00 0.00 57.00 56.33 3hfa n GLN 456 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.56 4.54 0.00 5.09 1.01 -0.40 -4.80 120.40 123.29 3hfa s VAL 457 Ca 0.26 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3hfa s VAL 457 Cb 0.20 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3hfa s VAL 457 CO 0.50 -0.55 0.00 0.35 0.00 0.00 0.00 175.10 175.40 3hfa n THR 458 N 6.00 0.00 -3.82 3.92 -2.24 -1.26 -4.86 114.28 112.01 3hfa n THR 458 Ca 0.09 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 3hfa n THR 458 Cb 0.48 0.88 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.60 0.12 0.34 3.42 1.47 -1.26 -4.54 116.67 115.61 3hfa s ASP 459 Ca 0.00 -1.24 0.01 0.00 1.18 0.00 0.00 52.55 52.50 3hfa s ASP 459 Cb 0.00 0.86 0.59 0.00 -0.34 0.00 0.00 42.92 44.02 3hfa s ASP 459 CO 0.00 -1.71 2.00 1.23 0.68 0.00 0.00 175.17 177.37 3hfa h GLY 460 N 2.00 0.96 0.69 2.12 0.00 -1.94 0.42 103.07 107.32 3hfa h GLY 460 Ca -0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3hfa h GLY 460 CO 0.43 0.35 -0.09 -1.80 0.00 0.00 0.00 176.54 175.43 3hfa h ASP 461 N 0.93 -0.21 -0.05 0.19 1.82 -1.99 -0.03 116.42 117.08 3hfa h ASP 461 Ca 0.25 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.59 3hfa h ASP 461 Cb -0.11 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 3hfa h ASP 461 CO -0.05 0.13 -0.18 0.77 -1.61 0.00 0.00 179.24 178.29 3hfa h SER 462 N -0.57 0.40 -0.50 2.28 4.64 -1.88 -1.62 113.55 116.31 3hfa h SER 462 Ca -0.03 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3hfa h SER 462 Cb 0.42 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3hfa h SER 462 CO 0.04 0.60 0.32 1.23 -0.87 0.00 0.00 176.83 178.16 3hfa h GLY 463 N 0.94 0.71 1.00 -0.77 0.00 -0.77 -1.20 103.07 102.97 3hfa h GLY 463 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 463 CO 0.03 0.24 0.20 -2.00 0.00 0.00 0.00 176.54 175.02 3hfa h LEU 464 N 0.66 0.86 -0.34 3.11 5.85 -0.60 -1.74 115.31 123.10 3hfa h LEU 464 Ca 0.19 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hfa h LEU 464 Cb -0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3hfa h LEU 464 CO -0.05 0.83 0.22 -0.09 -0.34 0.00 0.00 178.44 179.01 3hfa h ARG 465 N 0.84 0.45 -0.66 1.25 2.43 -0.99 -0.96 114.38 116.75 3hfa h ARG 465 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 465 Cb 0.27 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3hfa h ARG 465 CO -0.01 0.31 0.24 0.28 -1.51 0.00 0.00 179.97 179.28 3hfa h VAL 466 N 0.46 1.24 -0.38 0.20 2.07 -1.04 0.16 116.25 118.96 3hfa h VAL 466 Ca 0.13 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3hfa h VAL 466 Cb -0.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3hfa h VAL 466 CO -0.03 0.31 0.13 0.00 0.02 0.00 0.00 177.57 178.00 3hfa h ALA 467 N 1.29 0.49 -0.48 1.67 0.00 -0.87 0.62 119.26 121.98 3hfa h ALA 467 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 467 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hfa h ALA 467 CO -0.01 0.12 -0.06 0.28 0.00 0.00 0.00 179.25 179.58 3hfa h VAL 468 N 0.46 1.26 -0.23 0.00 2.07 -0.82 -1.77 116.25 117.22 3hfa h VAL 468 Ca 0.12 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 3hfa h VAL 468 Cb 0.24 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hfa h VAL 468 CO -0.01 0.39 -0.36 -0.08 0.02 0.00 0.00 177.57 177.54 3hfa h GLU 469 N 0.77 0.51 -0.56 1.57 4.81 -0.69 -0.17 114.58 120.82 3hfa h GLU 469 Ca 0.14 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3hfa h GLU 469 Cb 0.55 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3hfa h GLU 469 CO 0.03 0.80 0.14 0.00 -0.73 0.00 0.00 179.01 179.25 3hfa h ALA 470 N 1.18 0.74 -0.87 2.92 0.00 -0.55 -0.01 119.26 122.67 3hfa h ALA 470 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hfa h ALA 470 Cb 0.83 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3hfa h ALA 470 CO 0.07 0.44 0.55 -0.07 0.00 0.00 0.00 179.25 180.24 3hfa h LEU 471 N 0.80 1.02 -0.25 0.00 4.07 -1.12 -0.15 115.31 119.68 3hfa h LEU 471 Ca 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 471 Cb 0.34 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3hfa h LEU 471 CO 0.00 0.76 0.17 0.22 -1.08 0.00 0.00 178.44 178.51 3hfa h TYR 472 N 1.18 0.32 -0.55 1.13 3.20 -0.48 -0.56 116.97 121.22 3hfa h TYR 472 Ca 0.31 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3hfa h TYR 472 Cb -0.09 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3hfa h TYR 472 CO -0.01 0.20 0.16 -0.44 -1.64 0.00 0.00 178.16 176.43 3hfa h ASP 473 N 0.34 0.76 -0.35 -2.11 3.32 -0.73 -0.33 116.42 117.32 3hfa h ASP 473 Ca 0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3hfa h ASP 473 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3hfa h ASP 473 CO -0.02 0.73 0.17 0.00 -1.72 0.00 0.00 179.24 178.40 3hfa h ALA 474 N 1.38 0.44 -0.17 3.45 0.00 -0.62 -2.61 119.26 121.14 3hfa h ALA 474 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 474 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hfa h ALA 474 CO -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 3hfa h ALA 475 N 1.02 1.30 -0.31 0.00 0.00 -0.66 0.13 119.26 120.74 3hfa h ALA 475 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3hfa h ALA 475 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 475 CO -0.02 0.47 0.01 0.22 0.00 0.00 0.00 179.25 179.94 3hfa h ASP 476 N 0.27 0.43 0.00 0.00 3.58 -0.77 -3.27 116.42 116.67 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 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hfa h ASP 476 CO 0.04 0.49 -0.71 0.47 -2.88 0.00 0.00 179.24 176.65 3hfa n ASP 477 N -4.31 0.93 -3.94 2.28 8.00 -0.94 -4.92 116.55 113.64 3hfa n ASP 477 Ca 0.01 -0.59 -0.30 0.00 0.71 0.00 0.00 54.79 54.63 3hfa n ASP 477 Cb 0.22 1.11 -0.16 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.27 3.30 0.34 -2.24 2.15 0.40 -5.00 116.67 113.35 3hfa s ASP 478 Ca 0.02 -0.88 0.26 0.00 0.43 0.00 0.00 52.55 52.39 3hfa s ASP 478 Cb 0.08 -1.10 1.16 0.00 -0.30 0.00 0.00 42.92 42.76 3hfa s ASP 478 CO 0.44 -0.18 1.78 0.77 -0.17 0.00 0.00 175.17 177.81 3hfa h SER 479 N 8.02 0.00 0.12 -0.34 4.64 -1.86 -1.63 113.55 122.51 3hfa h SER 479 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 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 0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.32 3hfa n ALA 480 N -1.84 2.74 -2.77 5.18 0.00 -1.26 -4.77 120.51 117.78 3hfa n ALA 480 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 3hfa n ALA 480 Cb 0.20 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.21 3.41 -0.07 0.00 2.01 -0.61 -0.83 115.64 117.34 3hfa s THR 481 Ca 0.35 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 3hfa s THR 481 Cb 0.21 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3hfa s THR 481 CO 0.41 0.56 0.37 -0.83 -0.69 0.00 0.00 174.62 174.44 3hfa s GLY 482 N -0.24 2.37 0.74 4.40 0.00 -1.26 -4.48 107.32 108.85 3hfa s GLY 482 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.39 3hfa s GLY 482 CO 0.03 0.29 1.04 -0.32 0.00 0.00 0.00 173.10 174.14 3hfa s GLY 483 N -0.37 1.75 0.17 0.20 0.00 -1.26 -4.54 107.32 103.27 3hfa s GLY 483 Ca 0.22 -1.35 -0.34 0.00 0.00 0.00 0.00 44.72 43.25 3hfa s GLY 483 CO 0.10 -0.82 1.52 -1.05 0.00 0.00 0.00 173.10 172.85 3hfa n PRO 484 N -2.99 2.02 -3.45 2.90 -0.02 -1.26 -4.91 135.00 127.29 3hfa n PRO 484 Ca 0.12 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3hfa n PRO 484 Cb 0.60 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.75 5.93 0.30 2.55 -1.08 0.01 -4.93 116.67 120.21 3hfa s ASP 485 Ca 0.77 -1.93 0.15 0.00 -0.52 0.00 0.00 52.55 51.02 3hfa s ASP 485 Cb -0.70 -2.09 0.39 0.00 -1.46 0.00 0.00 42.92 39.06 3hfa s ASP 485 CO 0.41 -0.74 1.60 -0.07 0.52 0.00 0.00 175.17 176.89 3hfa h LEU 486 N 8.55 0.00 -0.07 -1.34 4.07 -1.93 0.26 115.31 124.86 3hfa h LEU 486 Ca -0.23 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 3hfa h LEU 486 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3hfa h LEU 486 CO 0.92 0.54 -0.05 0.58 -1.08 0.00 0.00 178.44 179.34 3hfa h VAL 487 N 0.00 1.35 0.00 1.22 2.07 -1.96 -3.26 116.25 115.67 3hfa h VAL 487 Ca -0.01 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3hfa h VAL 487 Cb 1.13 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3hfa h VAL 487 CO 0.07 0.32 -0.55 0.03 0.02 0.00 0.00 177.57 177.46 3hfa h ARG 488 N -0.25 0.00 -3.05 1.57 3.08 -1.99 -3.48 114.38 110.25 3hfa h ARG 488 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3hfa h ARG 488 Cb 0.53 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.64 3hfa h ARG 488 CO 0.01 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.05 3hfa n GLY 489 N 1.26 0.29 3.33 0.04 0.00 0.83 -5.05 105.19 105.89 3hfa n GLY 489 Ca 0.03 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.13 2.69 0.22 -0.61 1.01 -0.67 -5.00 121.20 115.70 3hfa s ILE 490 Ca 0.14 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3hfa s ILE 490 Cb -0.06 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hfa s ILE 490 CO 0.28 0.55 -0.03 -0.36 0.00 0.00 0.00 174.94 175.37 3hfa s PHE 491 N 0.19 1.55 0.73 3.97 0.08 -1.26 -0.81 117.98 122.43 3hfa s PHE 491 Ca -0.10 -0.86 -0.16 0.00 0.12 0.00 0.00 56.93 55.93 3hfa s PHE 491 Cb -0.16 -0.88 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 3hfa s PHE 491 CO 0.06 0.03 0.86 -2.30 -0.10 0.00 0.00 175.22 173.76 3hfa n PRO 492 N -0.40 0.42 -3.99 0.24 -0.02 -1.26 -4.82 135.00 125.16 3hfa n PRO 492 Ca -0.06 0.20 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 3hfa n PRO 492 Cb 0.63 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.87 5.06 0.01 3.45 -4.23 -0.65 -4.93 115.64 112.47 3hfa s THR 493 Ca 0.71 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 3hfa s THR 493 Cb -0.34 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 69.87 3hfa s THR 493 CO 0.53 -0.17 0.25 0.00 -0.54 0.00 0.00 174.62 174.69 3hfa s ALA 494 N -1.83 -0.60 -0.03 3.99 0.00 -1.26 -1.20 121.76 120.82 3hfa s ALA 494 Ca 0.34 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.41 3hfa s ALA 494 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3hfa s ALA 494 CO 0.27 -0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.66 3hfa s VAL 495 N -1.77 1.29 -0.09 0.00 1.01 0.49 -0.57 120.40 120.76 3hfa s VAL 495 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3hfa s VAL 495 Cb -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3hfa s VAL 495 CO 0.01 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 3hfa s ILE 496 N -0.13 3.11 -0.11 2.22 1.01 -0.43 -1.15 121.20 125.72 3hfa s ILE 496 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.00 3hfa s ILE 496 Cb -0.09 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3hfa s ILE 496 CO 0.01 0.56 -0.15 -0.63 0.00 0.00 0.00 174.94 174.72 3hfa s ILE 497 N -0.22 1.53 0.00 2.92 1.01 -0.22 -0.75 121.20 125.47 3hfa s ILE 497 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3hfa s ILE 497 Cb -0.13 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3hfa s ILE 497 CO 0.03 0.45 0.00 -0.90 0.00 0.00 0.00 174.94 174.52 3hfa n ASP 498 N 4.25 0.45 0.30 3.58 5.68 -1.15 -1.32 116.55 128.33 3hfa n ASP 498 Ca -0.19 -0.01 0.17 0.00 -0.50 0.00 0.00 54.79 54.26 3hfa n ASP 498 Cb 0.51 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.45 3hfa n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hfa h ALA 499 N 1.00 1.34 -0.05 2.12 0.00 -1.95 0.13 119.26 121.85 3hfa h ALA 499 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 499 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 499 CO 0.00 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 3hfa n ASP 500 N -3.60 1.20 0.00 0.00 8.00 -1.26 -5.03 116.55 115.85 3hfa n ASP 500 Ca -0.03 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.00 3hfa n ASP 500 Cb 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3hfa n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfa n GLY 501 N 1.10 0.62 3.72 0.44 0.00 0.03 -4.99 105.19 106.11 3hfa n GLY 501 Ca 0.19 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.10 3.28 0.03 4.61 0.00 0.95 -2.95 121.76 126.58 3hfa s ALA 502 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3hfa s ALA 502 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3hfa s ALA 502 CO 0.00 -0.12 -0.08 0.14 0.00 0.00 0.00 175.76 175.70 3hfa s VAL 503 N 0.73 0.59 0.19 0.00 -7.23 0.07 -4.97 120.40 109.78 3hfa s VAL 503 Ca 0.43 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 3hfa s VAL 503 Cb -0.19 -0.61 -0.08 0.00 0.56 0.00 0.00 36.38 36.05 3hfa s VAL 503 CO 0.23 -0.22 1.28 -1.81 -0.31 0.00 0.00 175.10 174.27 3hfa s ASP 504 N -1.20 6.94 0.01 4.85 1.01 -1.26 -1.31 116.67 125.71 3hfa s ASP 504 Ca -0.06 2.34 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 3hfa s ASP 504 Cb -0.08 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.00 -0.50 0.99 -0.69 0.21 0.00 0.00 175.17 175.19 3hfa s VAL 505 N 0.16 4.79 0.30 -1.27 1.01 0.26 -4.90 120.40 120.77 3hfa s VAL 505 Ca 0.56 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.27 3hfa s VAL 505 Cb -0.35 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.62 3hfa s VAL 505 CO 0.37 0.17 1.56 -2.84 0.00 0.00 0.00 175.10 174.36 3hfa s PRO 506 N 0.94 4.13 0.31 2.72 0.02 -1.26 -4.61 135.00 137.24 3hfa s PRO 506 Ca 0.52 2.55 0.07 0.00 0.02 0.00 0.00 61.00 64.16 3hfa s PRO 506 Cb -0.22 -3.02 0.81 0.00 0.02 0.00 0.00 34.50 32.09 3hfa s PRO 506 CO 0.28 -0.59 1.72 1.49 -0.33 0.00 0.00 177.00 179.57 3hfa h GLU 507 N 4.54 0.51 -0.93 5.54 4.81 -1.94 -1.56 114.58 125.55 3hfa h GLU 507 Ca -0.48 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 3hfa h GLU 507 Cb 1.22 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 3hfa h GLU 507 CO 0.77 0.34 0.60 0.66 -0.73 0.00 0.00 179.01 180.64 3hfa h SER 508 N 0.52 0.93 0.03 1.04 4.64 -1.99 0.13 113.55 118.84 3hfa h SER 508 Ca 0.60 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.75 3hfa h SER 508 Cb 1.13 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3hfa h SER 508 CO -0.49 0.59 -0.64 -0.09 -0.87 0.00 0.00 176.83 175.33 3hfa h ARG 509 N 1.05 0.59 -0.43 4.77 2.43 -1.66 -1.63 114.38 119.50 3hfa h ARG 509 Ca 0.40 -0.42 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 3hfa h ARG 509 Cb 0.21 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hfa h ARG 509 CO -0.16 1.04 -0.28 0.82 -1.51 0.00 0.00 179.97 179.89 3hfa h ILE 510 N 0.43 1.27 -0.71 1.20 2.04 -1.25 -1.91 117.51 118.58 3hfa h ILE 510 Ca -0.01 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3hfa h ILE 510 Cb 1.22 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3hfa h ILE 510 CO 0.12 0.49 0.46 0.00 0.00 0.00 0.00 178.15 179.22 3hfa h ALA 511 N 0.89 0.91 -0.23 1.87 0.00 -0.63 0.51 119.26 122.59 3hfa h ALA 511 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 511 Cb 0.85 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hfa h ALA 511 CO 0.07 0.35 0.13 1.49 0.00 0.00 0.00 179.25 181.29 3hfa h GLU 512 N 0.97 0.31 -0.43 0.00 4.81 -1.16 -0.82 114.58 118.26 3hfa h GLU 512 Ca 0.26 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3hfa h GLU 512 Cb -0.08 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3hfa h GLU 512 CO -0.05 0.27 0.16 -0.07 -0.73 0.00 0.00 179.01 178.58 3hfa h LEU 513 N 0.27 0.17 -0.55 1.64 4.07 -0.98 -1.40 115.31 118.53 3hfa h LEU 513 Ca 0.08 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.12 3hfa h LEU 513 Cb 0.04 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 3hfa h LEU 513 CO -0.01 0.13 0.32 0.00 -1.08 0.00 0.00 178.44 177.80 3hfa h ALA 514 N 1.28 0.71 -0.63 1.53 0.00 -0.53 -0.67 119.26 120.94 3hfa h ALA 514 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 514 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 514 CO -0.20 0.03 0.24 0.00 0.00 0.00 0.00 179.25 179.32 3hfa h ARG 515 N 0.64 0.94 -0.33 0.00 3.08 -0.80 -0.38 114.38 117.53 3hfa h ARG 515 Ca 0.23 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hfa h ARG 515 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3hfa h ARG 515 CO -0.11 0.80 0.21 0.00 -1.07 0.00 0.00 179.97 179.81 3hfa h ALA 516 N 1.09 0.42 -0.32 0.04 0.00 -0.84 0.11 119.26 119.77 3hfa h ALA 516 Ca 0.21 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 516 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 516 CO -0.02 -0.10 0.15 0.82 0.00 0.00 0.00 179.25 180.11 3hfa h ILE 517 N 0.44 0.98 -0.08 0.00 2.04 -0.85 0.31 117.51 120.36 3hfa h ILE 517 Ca 0.12 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hfa h ILE 517 Cb -0.03 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3hfa h ILE 517 CO -0.02 0.06 0.04 0.40 0.00 0.00 0.00 178.15 178.63 3hfa h ILE 518 N 0.32 1.08 -0.81 -0.67 2.04 -0.78 -2.10 117.51 116.60 3hfa h ILE 518 Ca 0.14 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3hfa h ILE 518 Cb 0.06 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3hfa h ILE 518 CO -0.10 0.07 0.52 -0.33 0.00 0.00 0.00 178.15 178.31 3hfa h GLU 519 N 0.03 0.98 -0.53 2.37 5.08 -0.62 -1.68 114.58 120.22 3hfa h GLU 519 Ca 0.03 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3hfa h GLU 519 Cb 0.08 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3hfa h GLU 519 CO -0.00 0.65 0.35 1.03 -1.00 0.00 0.00 179.01 180.04 3hfa h SER 520 N 1.01 0.48 0.36 1.42 0.87 -0.58 -1.76 113.55 115.35 3hfa h SER 520 Ca 0.32 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 3hfa h SER 520 Cb -0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3hfa h SER 520 CO -0.11 0.32 -0.83 0.54 -0.53 0.00 0.00 176.83 176.22 3hfa n ARG 521 N -4.47 0.12 -0.04 2.24 1.74 -0.82 -3.57 116.66 111.86 3hfa n ARG 521 Ca 0.07 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 3hfa n ARG 521 Cb 0.18 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3hfa n ARG 521 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3hfa h SER 522 N 0.00 0.05 0.00 0.55 0.02 -0.90 -3.51 113.55 109.75 3hfa h SER 522 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 3hfa h SER 522 Cb 0.59 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3hfa h SER 522 CO 0.00 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.07