#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 0.40 -0.07 12.58 2.01 -1.26 -0.60 115.64 128.70 3hfa s THR 302 Ca 0.00 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.88 3hfa s THR 302 Cb 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.13 3hfa s THR 302 CO 0.00 0.15 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.33 3hfa s ILE 303 N 0.37 1.18 0.18 1.82 1.01 -0.26 -2.38 121.20 123.11 3hfa s ILE 303 Ca -0.04 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.23 3hfa s ILE 303 Cb -0.08 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3hfa s ILE 303 CO -0.00 0.37 -0.24 0.68 0.00 0.00 0.00 174.94 175.74 3hfa s VAL 304 N 0.76 2.30 -0.06 2.92 -7.23 -0.09 -1.01 120.40 117.99 3hfa s VAL 304 Ca -0.13 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 3hfa s VAL 304 Cb -0.16 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.72 3hfa s VAL 304 CO 0.03 -0.07 0.20 0.00 -0.31 0.00 0.00 175.10 174.94 3hfa s ALA 305 N -1.53 -0.50 -0.02 1.32 0.00 -0.51 -1.12 121.76 119.40 3hfa s ALA 305 Ca 0.19 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3hfa s ALA 305 Cb -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3hfa s ALA 305 CO 0.09 -0.13 0.31 -0.48 0.00 0.00 0.00 175.76 175.54 3hfa s LEU 306 N -0.31 0.86 0.03 0.00 0.05 -0.24 -1.11 118.68 117.95 3hfa s LEU 306 Ca -0.04 0.09 -0.21 0.00 0.05 0.00 0.00 54.13 54.02 3hfa s LEU 306 Cb -0.03 1.26 -0.06 0.00 -2.05 0.00 0.00 46.19 45.31 3hfa s LEU 306 CO 0.01 -0.44 0.63 -0.54 -0.55 0.00 0.00 176.35 175.45 3hfa s LYS 307 N -1.31 4.34 0.33 1.48 1.02 0.41 -1.03 119.74 124.98 3hfa s LYS 307 Ca -0.13 0.81 0.05 0.00 0.02 0.00 0.00 55.97 56.72 3hfa s LYS 307 Cb -0.05 -3.32 -0.07 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 0.00 175.35 176.41 3hfa s TYR 308 N -0.37 2.10 -0.23 3.18 -0.85 -0.60 -4.94 117.35 115.64 3hfa s TYR 308 Ca 0.32 -0.81 -0.28 0.00 -0.52 0.00 0.00 57.07 55.78 3hfa s TYR 308 Cb -0.19 -1.35 -0.05 0.00 0.38 0.00 0.00 41.96 40.75 3hfa s TYR 308 CO 0.19 0.20 2.22 -2.14 -1.52 0.00 0.00 175.55 174.50 3hfa s PRO 309 N -3.80 3.10 0.00 -3.49 0.02 -1.26 -1.62 135.00 127.95 3hfa s PRO 309 Ca 0.34 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3hfa s PRO 309 Cb 0.07 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3hfa s PRO 309 CO 0.15 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.09 3hfa n GLY 310 N 5.77 0.30 0.00 0.52 0.00 0.24 -4.73 105.19 107.29 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 -1.68 1.43 3.12 -0.02 0.00 -0.64 -4.16 105.19 103.25 3hfa n GLY 311 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.33 0.11 0.02 1.61 0.11 -0.37 -1.55 120.40 117.99 3hfa s VAL 312 Ca 0.00 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 3hfa s VAL 312 Cb 0.00 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3hfa s VAL 312 CO 0.00 -0.48 -0.14 0.54 -3.33 0.00 0.00 175.10 171.69 3hfa s VAL 313 N -2.04 1.09 -0.03 2.04 0.11 -0.20 -1.10 120.40 120.27 3hfa s VAL 313 Ca -0.10 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 3hfa s VAL 313 Cb -0.04 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3hfa s VAL 313 CO -0.02 0.13 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.49 3hfa s MET 314 N -0.79 0.84 0.01 1.54 1.75 -0.14 -1.08 119.30 121.43 3hfa s MET 314 Ca 0.03 -0.24 -0.00 0.00 -1.25 0.00 0.00 55.69 54.23 3hfa s MET 314 Cb -0.07 -0.80 -0.01 0.00 2.84 0.00 0.00 34.83 36.79 3hfa s MET 314 CO 0.00 0.07 -0.01 0.00 -0.65 0.00 0.00 175.02 174.43 3hfa s ALA 315 N 0.31 0.06 0.03 4.11 0.00 -0.28 -0.21 121.76 125.78 3hfa s ALA 315 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 3hfa s ALA 315 Cb -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3hfa s ALA 315 CO 0.00 -0.11 -0.03 0.20 0.00 0.00 0.00 175.76 175.82 3hfa s GLY 316 N -1.00 0.34 0.36 0.00 0.00 -0.37 -0.91 107.32 105.74 3hfa s GLY 316 Ca -0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 3hfa s GLY 316 CO -0.01 -0.90 0.48 2.09 0.00 0.00 0.00 173.10 174.77 3hfa n ASP 317 N 1.08 0.00 0.00 1.64 5.75 -1.00 -1.65 116.55 122.36 3hfa n ASP 317 Ca -0.20 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 3hfa n ASP 317 Cb 0.57 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 -2.04 0.93 -3.39 0.11 5.12 -1.26 -4.50 116.66 111.62 3hfa n ARG 318 Ca 0.06 -0.86 -0.34 0.00 -1.93 0.00 0.00 57.85 54.78 3hfa n ARG 318 Cb 0.21 -0.87 -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 -0.42 3.91 0.03 5.56 3.52 -1.26 -1.43 118.95 128.87 3hfa s ARG 319 Ca 0.00 0.40 0.04 0.00 -0.13 0.00 0.00 55.73 56.04 3hfa s ARG 319 Cb 0.00 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 3hfa s ARG 319 CO 0.00 0.44 -0.12 -1.54 -0.81 0.00 0.00 175.30 173.27 3hfa s SER 320 N -1.91 1.35 0.06 -2.12 1.04 -0.67 -4.70 113.70 106.76 3hfa s SER 320 Ca 0.40 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.47 3hfa s SER 320 Cb -0.14 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3hfa s SER 320 CO 0.20 -0.01 -0.16 0.42 0.98 0.00 0.00 173.24 174.67 3hfa s THR 321 N -0.85 1.25 -0.49 2.02 -4.23 -1.26 -0.30 115.64 111.77 3hfa s THR 321 Ca -0.01 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3hfa s THR 321 Cb -0.07 -1.15 0.13 0.00 1.34 0.00 0.00 72.50 72.74 3hfa s THR 321 CO 0.01 -0.09 0.26 -1.58 -0.54 0.00 0.00 174.62 172.68 3hfa s GLN 322 N -1.51 2.03 7.90 3.99 0.74 0.29 -4.84 119.66 128.27 3hfa s GLN 322 Ca 0.01 -2.32 0.00 0.00 0.05 0.00 0.00 55.36 53.10 3hfa s GLN 322 Cb -0.09 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3hfa s GLN 322 CO 0.02 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 3hfa n GLY 323 N 3.68 3.49 0.14 2.59 0.00 -1.26 -2.22 105.19 111.61 3hfa n GLY 323 Ca 0.04 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.44 1.61 2.35 -2.02 -3.47 115.58 110.61 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 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hfa h ASN 324 CO 0.00 0.31 0.55 -0.04 -1.65 0.00 0.00 177.43 176.60 3hfa s MET 325 N -3.09 4.50 -0.28 0.81 -1.94 -0.94 -4.98 119.30 113.38 3hfa s MET 325 Ca 0.02 1.83 -0.29 0.00 -1.71 0.00 0.00 55.69 55.54 3hfa s MET 325 Cb 0.08 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.66 3hfa s MET 325 CO 0.76 -0.09 1.20 0.42 -0.01 0.00 0.00 175.02 177.30 3hfa s ILE 326 N 0.11 4.32 -1.00 2.53 1.01 -1.26 -0.55 121.20 126.36 3hfa s ILE 326 Ca 0.53 1.53 0.15 0.00 0.00 0.00 0.00 60.65 62.86 3hfa s ILE 326 Cb -0.32 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 3hfa s ILE 326 CO 0.35 -0.40 0.71 -1.54 0.00 0.00 0.00 174.94 174.06 3hfa n SER 327 N 7.10 1.08 -3.59 3.58 3.41 0.58 -4.91 113.62 120.88 3hfa n SER 327 Ca 0.13 -1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 3hfa n SER 327 Cb 0.46 0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.13 -0.39 0.00 5.00 0.00 -0.97 -4.90 107.32 103.93 3hfa s GLY 328 Ca 0.09 2.01 0.00 0.00 0.00 0.00 0.00 44.72 46.81 3hfa s GLY 328 CO 0.50 1.41 0.28 0.54 0.00 0.00 0.00 173.10 175.82 3hfa n ARG 329 N 1.67 1.63 -0.42 2.90 1.74 -1.25 -1.66 116.66 121.26 3hfa n ARG 329 Ca -0.14 -0.28 0.03 0.00 -0.77 0.00 0.00 57.85 56.69 3hfa n ARG 329 Cb 0.56 -0.75 0.04 0.00 -1.02 0.00 0.00 32.46 31.29 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 -0.31 0.64 -4.74 0.55 5.68 -0.99 -4.64 116.55 112.74 3hfa n ASP 330 Ca 0.00 -2.29 -0.42 0.00 -0.50 0.00 0.00 54.79 51.58 3hfa n ASP 330 Cb 0.02 -0.26 -0.02 0.00 -1.14 0.00 0.00 41.12 39.72 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 -0.36 0.95 -3.77 2.12 0.31 -0.51 -4.98 118.33 112.08 3hfa n VAL 331 Ca 0.04 -0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 63.77 3hfa n VAL 331 Cb 0.70 -1.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 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 -0.38 3.83 0.00 5.55 0.52 -1.26 -4.24 118.95 122.96 3hfa s ARG 332 Ca 0.65 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 3hfa s ARG 332 Cb -0.51 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 31.57 3hfa s ARG 332 CO 0.47 -0.06 0.41 1.63 0.02 0.00 0.00 175.30 177.77 3hfa n LYS 333 N 4.57 2.54 -3.97 3.54 5.02 -1.26 -4.94 118.16 123.66 3hfa n LYS 333 Ca -0.16 -0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 55.40 3hfa n LYS 333 Cb 0.52 -0.89 -0.14 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.83 2.88 -0.05 -0.18 1.01 -1.26 -2.45 120.40 119.52 3hfa s VAL 334 Ca 0.03 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3hfa s VAL 334 Cb 0.03 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3hfa s VAL 334 CO 0.10 0.29 -0.22 -0.31 0.00 0.00 0.00 175.10 174.95 3hfa s TYR 335 N 1.35 2.49 -0.14 5.22 2.02 0.15 -4.96 117.35 123.48 3hfa s TYR 335 Ca 0.02 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 3hfa s TYR 335 Cb -0.16 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 3hfa s TYR 335 CO -0.05 -0.09 1.21 0.42 -1.57 0.00 0.00 175.55 175.46 3hfa s ILE 336 N -0.36 4.35 -0.07 2.71 1.01 -1.26 -0.30 121.20 127.28 3hfa s ILE 336 Ca 0.02 1.64 0.16 0.00 0.00 0.00 0.00 60.65 62.47 3hfa s ILE 336 Cb -0.12 -4.06 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 3hfa s ILE 336 CO 0.02 -0.10 0.25 0.35 0.00 0.00 0.00 174.94 175.46 3hfa n THR 337 N 5.14 0.37 -3.24 2.92 -2.24 -0.56 -4.94 114.28 111.73 3hfa n THR 337 Ca 0.13 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3hfa n THR 337 Cb 0.45 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.24 -0.33 0.27 3.42 5.75 -1.18 -4.46 116.55 117.78 3hfa n ASP 338 Ca -0.11 -1.26 0.17 0.00 -0.01 0.00 0.00 54.79 53.59 3hfa n ASP 338 Cb 0.63 0.55 0.93 0.00 -1.03 0.00 0.00 41.12 42.20 3hfa n ASP 338 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hfa h ASP 339 N 0.31 0.00 0.00 -1.12 3.32 -1.95 -3.02 116.42 113.95 3hfa h ASP 339 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 339 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hfa h ASP 339 CO 0.06 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.17 3hfa n TYR 340 N -3.64 0.00 -3.97 4.55 4.01 -1.26 -0.04 117.16 116.80 3hfa n TYR 340 Ca -0.01 -0.39 -0.09 0.00 -0.16 0.00 0.00 57.90 57.25 3hfa n TYR 340 Cb 0.19 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.06 0.13 0.02 -0.72 -4.23 -1.14 -1.22 115.64 107.43 3hfa s THR 341 Ca 0.10 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3hfa s THR 341 Cb 0.09 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 3hfa s THR 341 CO 0.01 -0.60 -0.04 0.00 -0.54 0.00 0.00 174.62 173.44 3hfa s ALA 342 N -2.21 0.24 -0.08 3.99 0.00 0.49 -1.49 121.76 122.70 3hfa s ALA 342 Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3hfa s ALA 342 Cb -0.04 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3hfa s ALA 342 CO -0.03 -0.11 -0.15 0.99 0.00 0.00 0.00 175.76 176.46 3hfa s THR 343 N -1.30 1.36 -0.10 0.00 2.01 0.58 -1.07 115.64 117.13 3hfa s THR 343 Ca -0.13 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.29 3hfa s THR 343 Cb -0.09 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3hfa s THR 343 CO -0.01 0.41 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.34 3hfa s GLY 344 N 0.68 1.49 -0.07 4.40 0.00 -0.44 -0.68 107.32 112.70 3hfa s GLY 344 Ca -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.67 3hfa s GLY 344 CO 0.04 -0.41 -0.13 -0.42 0.00 0.00 0.00 173.10 172.18 3hfa s ILE 345 N 0.01 1.23 0.03 0.90 1.01 -1.02 0.36 121.20 123.71 3hfa s ILE 345 Ca -0.05 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3hfa s ILE 345 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3hfa s ILE 345 CO 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 174.94 175.34 3hfa s ALA 346 N 0.63 3.21 0.00 9.38 0.00 -0.70 -4.95 121.76 129.33 3hfa s ALA 346 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.79 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 0.04 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.87 3hfa n GLY 347 N 1.20 0.42 3.70 0.00 0.00 -1.26 -0.75 105.19 108.50 3hfa n GLY 347 Ca -0.14 -2.23 -0.56 0.00 0.00 0.00 0.00 46.02 43.09 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 0.32 -0.06 2.61 -1.04 0.01 -4.83 114.28 111.30 3hfa n THR 348 Ca 0.00 -0.06 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 3hfa n THR 348 Cb 0.00 -1.29 -0.01 0.00 -1.82 0.00 0.00 70.33 67.21 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 7.32 0.08 -0.89 2.41 0.00 -1.96 -0.30 119.26 125.92 3hfa h ALA 349 Ca -0.47 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hfa h ALA 349 Cb 1.31 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 3hfa h ALA 349 CO 0.95 -0.53 0.55 0.00 0.00 0.00 0.00 179.25 180.22 3hfa h ALA 350 N 1.11 1.22 -0.24 0.00 0.00 -2.00 -1.50 119.26 117.86 3hfa h ALA 350 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 350 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 350 CO -0.32 0.31 -0.46 0.28 0.00 0.00 0.00 179.25 179.06 3hfa h VAL 351 N 1.01 1.30 -0.22 0.00 2.07 -1.76 -2.81 116.25 115.85 3hfa h VAL 351 Ca 0.39 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 66.25 3hfa h VAL 351 Cb 0.18 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3hfa h VAL 351 CO -0.17 0.53 0.09 0.00 0.02 0.00 0.00 177.57 178.04 3hfa h ALA 352 N 0.63 0.25 -0.45 1.67 0.00 -0.45 -0.64 119.26 120.27 3hfa h ALA 352 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 352 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3hfa h ALA 352 CO 0.10 -0.32 0.21 0.28 0.00 0.00 0.00 179.25 179.52 3hfa h VAL 353 N 0.21 1.19 -0.28 0.00 2.07 -1.35 -1.96 116.25 116.13 3hfa h VAL 353 Ca 0.09 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3hfa h VAL 353 Cb 0.04 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3hfa h VAL 353 CO -0.08 0.21 -0.12 -0.33 0.02 0.00 0.00 177.57 177.28 3hfa h GLU 354 N 0.59 -0.07 0.12 1.57 5.08 -1.23 -1.03 114.58 119.61 3hfa h GLU 354 Ca 0.15 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3hfa h GLU 354 Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3hfa h GLU 354 CO -0.02 -0.05 -0.41 0.74 -1.00 0.00 0.00 179.01 178.28 3hfa h PHE 355 N -0.07 -1.14 -0.52 4.33 0.04 -0.77 0.75 116.94 119.56 3hfa h PHE 355 Ca 0.14 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3hfa h PHE 355 Cb 0.29 0.48 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 3hfa h PHE 355 CO -0.31 -0.51 0.34 0.00 -0.60 0.00 0.00 178.31 177.24 3hfa h ALA 356 N -0.15 0.66 0.16 2.45 0.00 -1.15 0.15 119.26 121.38 3hfa h ALA 356 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 356 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 356 CO -0.23 0.11 -0.08 -0.09 0.00 0.00 0.00 179.25 178.96 3hfa h ARG 357 N 0.71 -0.21 -0.68 0.00 2.43 -1.00 -2.42 114.38 113.21 3hfa h ARG 357 Ca 0.19 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3hfa h ARG 357 Cb -0.08 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3hfa h ARG 357 CO -0.04 0.15 0.20 1.25 -1.51 0.00 0.00 179.97 180.02 3hfa h LEU 358 N -0.59 1.00 -0.38 3.80 5.85 -0.73 -2.00 115.31 122.26 3hfa h LEU 358 Ca -0.02 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hfa h LEU 358 Cb 0.45 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3hfa h LEU 358 CO 0.04 0.95 0.24 0.22 -0.34 0.00 0.00 178.44 179.55 3hfa h TYR 359 N 1.00 0.49 -0.65 1.25 3.20 -0.73 0.14 116.97 121.67 3hfa h TYR 359 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hfa h TYR 359 Cb 0.32 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3hfa h TYR 359 CO 0.02 0.33 0.28 0.00 -1.64 0.00 0.00 178.16 177.15 3hfa h ALA 360 N 1.12 0.85 -0.31 1.82 0.00 -1.26 -0.94 119.26 120.53 3hfa h ALA 360 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 360 Cb -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3hfa h ALA 360 CO -0.03 0.45 0.09 0.28 0.00 0.00 0.00 179.25 180.04 3hfa h VAL 361 N 0.91 0.90 -0.83 0.00 2.07 -1.02 -2.67 116.25 115.60 3hfa h VAL 361 Ca 0.22 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3hfa h VAL 361 Cb 0.18 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3hfa h VAL 361 CO -0.02 0.04 0.48 -0.08 0.02 0.00 0.00 177.57 178.01 3hfa h GLU 362 N 0.22 1.14 -0.30 1.57 4.81 -0.18 0.71 114.58 122.55 3hfa h GLU 362 Ca 0.14 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hfa h GLU 362 Cb 0.12 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 362 CO -0.16 0.81 0.15 -0.07 -0.73 0.00 0.00 179.01 179.02 3hfa h LEU 363 N 1.14 0.39 -0.58 1.64 4.07 -1.05 -1.95 115.31 118.98 3hfa h LEU 363 Ca 0.30 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.99 3hfa h LEU 363 Cb -0.02 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3hfa h LEU 363 CO -0.05 0.39 -0.70 -0.08 -1.08 0.00 0.00 178.44 176.91 3hfa h GLU 364 N 0.36 0.05 -0.31 1.13 4.81 -1.27 -2.54 114.58 116.81 3hfa h GLU 364 Ca 0.10 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hfa h GLU 364 Cb 0.10 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3hfa h GLU 364 CO -0.01 0.73 0.19 1.25 -0.73 0.00 0.00 179.01 180.44 3hfa h HIS 365 N 0.03 0.36 -0.32 0.92 2.76 -0.60 -0.45 115.15 117.86 3hfa h HIS 365 Ca -0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.25 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 3hfa h HIS 365 CO 0.01 0.22 0.18 -0.92 -1.30 0.00 0.00 177.93 176.11 3hfa h TYR 366 N 0.39 0.44 -0.60 5.26 3.20 -1.23 -1.51 116.97 122.92 3hfa h TYR 366 Ca 0.12 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3hfa h TYR 366 Cb -0.02 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3hfa h TYR 366 CO -0.07 0.35 0.34 1.49 -1.64 0.00 0.00 178.16 178.63 3hfa h GLU 367 N 0.40 0.63 -0.28 1.82 4.81 -1.08 0.81 114.58 121.68 3hfa h GLU 367 Ca 0.11 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3hfa h GLU 367 Cb 0.06 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hfa h GLU 367 CO -0.02 0.41 -0.41 0.87 -0.73 0.00 0.00 179.01 179.14 3hfa h LYS 368 N 0.65 0.67 -0.28 1.92 1.57 -0.92 0.18 116.57 120.36 3hfa h LYS 368 Ca 0.26 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 3hfa h LYS 368 Cb 0.12 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hfa h LYS 368 CO -0.15 0.96 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.15 3hfa h LEU 369 N 0.55 0.90 -0.32 2.94 3.38 -0.85 -3.35 115.31 118.55 3hfa h LEU 369 Ca 0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hfa h LEU 369 Cb 0.94 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hfa h LEU 369 CO 0.08 1.25 -0.58 -0.62 0.09 0.00 0.00 178.44 178.67 3hfa n GLU 370 N -4.10 1.89 -0.13 1.13 -0.58 0.24 -4.98 120.64 114.12 3hfa n GLU 370 Ca -0.04 -0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3hfa n GLU 370 Cb 0.58 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 1.28 2.12 3.00 0.62 0.00 0.64 -4.99 105.19 107.86 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 -2.92 0.12 0.63 1.61 0.11 -1.20 -4.98 120.40 113.78 3hfa s VAL 372 Ca 0.00 -1.02 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 3hfa s VAL 372 Cb 0.00 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 3hfa s VAL 372 CO 0.00 -0.56 1.07 -2.84 -3.33 0.00 0.00 175.10 169.44 3hfa s PRO 373 N -1.77 3.07 0.59 1.54 0.02 -1.26 -3.96 135.00 133.24 3hfa s PRO 373 Ca -0.13 1.22 -0.19 0.00 0.02 0.00 0.00 61.00 61.92 3hfa s PRO 373 Cb -0.08 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3hfa s PRO 373 CO -0.02 -1.01 1.07 1.28 -0.33 0.00 0.00 177.00 177.98 3hfa n LEU 374 N -2.35 4.23 -4.68 -5.54 4.32 -1.26 -5.00 117.00 106.72 3hfa n LEU 374 Ca 0.09 0.84 -0.30 0.00 -0.02 0.00 0.00 56.01 56.62 3hfa n LEU 374 Cb 0.53 -1.44 0.15 0.00 -1.62 0.00 0.00 43.42 41.04 3hfa n LEU 374 CO 0.49 -1.55 0.66 0.42 -1.22 0.00 0.00 177.39 176.18 3hfa s THR 375 N -1.45 2.52 0.22 -5.08 -4.23 -1.26 -4.79 115.64 101.56 3hfa s THR 375 Ca 0.76 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 3hfa s THR 375 Cb -0.42 -2.42 0.18 0.00 1.34 0.00 0.00 72.50 71.19 3hfa s THR 375 CO 0.47 -0.22 1.87 0.15 -0.54 0.00 0.00 174.62 176.35 3hfa h PHE 376 N -1.72 0.98 -0.72 3.99 3.57 -1.98 -0.87 116.94 120.20 3hfa h PHE 376 Ca -0.47 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.16 3hfa h PHE 376 Cb 1.27 -0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 3hfa h PHE 376 CO 0.47 0.58 0.34 0.00 -2.23 0.00 0.00 178.31 177.47 3hfa h ALA 377 N 1.33 1.00 -0.72 2.41 0.00 -2.00 -0.39 119.26 120.89 3hfa h ALA 377 Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 377 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hfa h ALA 377 CO -0.10 -0.09 0.34 0.78 0.00 0.00 0.00 179.25 180.18 3hfa h GLY 378 N 0.56 1.11 1.01 0.00 0.00 -1.63 -1.33 103.07 102.79 3hfa h GLY 378 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hfa h GLY 378 CO -0.30 0.53 0.55 0.50 0.00 0.00 0.00 176.54 177.81 3hfa h LYS 379 N 1.01 1.17 -0.26 4.80 1.57 0.01 -1.24 116.57 123.63 3hfa h LYS 379 Ca 0.25 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3hfa h LYS 379 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hfa h LYS 379 CO -0.03 0.80 0.14 0.82 -0.57 0.00 0.00 179.45 180.61 3hfa h ILE 380 N 1.19 1.12 -0.57 1.86 2.04 -0.79 -2.43 117.51 119.93 3hfa h ILE 380 Ca 0.31 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hfa h ILE 380 Cb -0.08 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3hfa h ILE 380 CO -0.06 0.12 0.36 -1.13 0.00 0.00 0.00 178.15 177.43 3hfa h ASN 381 N 0.30 0.67 -0.63 1.72 -1.24 -0.85 -0.79 115.58 114.77 3hfa h ASN 381 Ca 0.09 -0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 3hfa h ASN 381 Cb 0.06 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 3hfa h ASN 381 CO -0.01 0.51 0.24 0.03 -1.29 0.00 0.00 177.43 176.91 3hfa h ARG 382 N 0.77 0.95 -0.63 6.67 2.47 -1.15 0.19 114.38 123.65 3hfa h ARG 382 Ca 0.21 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3hfa h ARG 382 Cb -0.05 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.10 3hfa h ARG 382 CO -0.04 0.81 0.25 1.25 0.56 0.00 0.00 179.97 182.79 3hfa h LEU 383 N 0.88 0.87 -0.52 3.04 5.85 -1.18 -1.48 115.31 122.78 3hfa h LEU 383 Ca 0.21 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hfa h LEU 383 Cb 0.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hfa h LEU 383 CO -0.02 0.80 0.19 0.00 -0.34 0.00 0.00 178.44 179.08 3hfa h ALA 384 N 1.10 0.68 -0.69 1.25 0.00 -0.69 -0.99 119.26 119.92 3hfa h ALA 384 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 384 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hfa h ALA 384 CO -0.02 0.31 0.29 0.82 0.00 0.00 0.00 179.25 180.65 3hfa h ILE 385 N 0.71 1.24 -0.43 0.00 2.04 -0.87 -0.65 117.51 119.55 3hfa h ILE 385 Ca 0.17 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3hfa h ILE 385 Cb 0.23 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3hfa h ILE 385 CO -0.01 0.30 0.28 -0.03 0.00 0.00 0.00 178.15 178.69 3hfa h MET 386 N 0.97 0.55 -0.46 2.37 4.05 -0.91 -1.32 114.93 120.17 3hfa h MET 386 Ca 0.23 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 3hfa h MET 386 Cb 0.19 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3hfa h MET 386 CO -0.02 0.37 0.29 0.28 0.23 0.00 0.00 176.91 178.05 3hfa h VAL 387 N 0.57 1.14 -0.79 -5.77 2.07 -0.87 -2.44 116.25 110.15 3hfa h VAL 387 Ca 0.16 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hfa h VAL 387 Cb -0.06 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3hfa h VAL 387 CO -0.04 0.14 0.52 -0.09 0.02 0.00 0.00 177.57 178.12 3hfa h ARG 388 N 0.62 0.95 -0.04 1.57 2.43 -0.87 -1.08 114.38 117.95 3hfa h ARG 388 Ca 0.17 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 388 Cb -0.03 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3hfa h ARG 388 CO -0.03 0.63 0.10 0.78 -1.51 0.00 0.00 179.97 179.93 3hfa h GLY 389 N 0.97 0.00 -1.50 2.80 0.00 -0.74 -1.10 103.07 103.51 3hfa h GLY 389 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3hfa h GLY 389 CO -0.09 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.44 3hfa n ASN 390 N -3.33 2.55 -0.14 0.19 5.15 -0.41 -4.57 115.26 114.71 3hfa n ASN 390 Ca -0.02 -1.85 -0.04 0.00 -0.60 0.00 0.00 54.58 52.08 3hfa n ASN 390 Cb 0.18 -0.02 0.03 0.00 -0.53 0.00 0.00 39.78 39.43 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 3.92 -0.40 -0.15 1.20 5.85 -1.17 0.24 115.31 124.80 3hfa h LEU 391 Ca 0.00 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3hfa h LEU 391 Cb 0.84 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3hfa h LEU 391 CO 0.00 -0.14 -0.17 0.00 -0.34 0.00 0.00 178.44 177.78 3hfa h ALA 392 N 1.44 -0.09 -0.91 1.25 0.00 -1.81 0.40 119.26 119.54 3hfa h ALA 392 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hfa h ALA 392 Cb 0.33 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3hfa h ALA 392 CO -0.45 -0.62 0.56 0.00 0.00 0.00 0.00 179.25 178.74 3hfa h ALA 393 N 0.85 1.28 -0.77 0.00 0.00 -1.69 -2.55 119.26 116.37 3hfa h ALA 393 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 393 Cb 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 393 CO -0.28 0.63 0.39 0.00 0.00 0.00 0.00 179.25 179.99 3hfa h ALA 394 N 1.37 1.23 0.00 0.00 0.00 0.45 0.07 119.26 122.38 3hfa h ALA 394 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 394 Cb -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.40 3hfa h ALA 394 CO -0.06 0.60 0.00 0.52 0.00 0.00 0.00 179.25 180.30 3hfa h MET 395 N 1.09 0.00 -0.33 0.00 2.86 -0.55 -0.35 114.93 117.65 3hfa h MET 395 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hfa h MET 395 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hfa h MET 395 CO -0.04 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.97 3hfa n GLN 396 N -2.54 2.10 0.00 1.72 1.13 -0.08 -4.93 117.38 114.78 3hfa n GLN 396 Ca 0.01 -1.68 0.00 0.00 -1.94 0.00 0.00 57.00 53.39 3hfa n GLN 396 Cb 0.21 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.13 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 1.30 0.41 2.58 1.08 0.00 -0.14 -5.00 105.19 105.42 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 7.68 -4.74 0.99 4.77 -0.67 -4.87 117.00 120.16 3hfa n LEU 398 Ca 0.00 -4.80 -0.36 0.00 -0.03 0.00 0.00 56.01 50.82 3hfa n LEU 398 Cb 0.00 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.61 3hfa n LEU 398 CO 0.00 1.87 -0.12 -0.22 -1.33 0.00 0.00 177.39 177.59 3hfa s LEU 399 N -1.47 4.24 -0.04 2.23 2.96 -1.26 -3.63 118.68 121.71 3hfa s LEU 399 Ca 0.50 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.74 3hfa s LEU 399 Cb 0.16 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3hfa s LEU 399 CO -0.06 0.17 0.09 0.00 -1.32 0.00 0.00 176.35 175.23 3hfa s ALA 400 N 0.28 -0.22 -0.12 5.97 0.00 -1.26 -0.81 121.76 125.60 3hfa s ALA 400 Ca 0.12 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.38 3hfa s ALA 400 Cb -0.12 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hfa s ALA 400 CO 0.01 -0.05 -0.16 -0.51 0.00 0.00 0.00 175.76 175.04 3hfa s LEU 401 N 0.13 1.78 0.38 0.00 1.43 0.07 -4.94 118.68 117.55 3hfa s LEU 401 Ca -0.01 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3hfa s LEU 401 Cb -0.02 -1.16 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 3hfa s LEU 401 CO -0.00 0.02 0.75 -2.16 0.23 0.00 0.00 176.35 175.19 3hfa s PRO 402 N 1.00 3.83 -0.10 1.29 0.05 -1.26 -1.73 135.00 138.08 3hfa s PRO 402 Ca -0.06 0.51 0.04 0.00 0.05 0.00 0.00 61.00 61.53 3hfa s PRO 402 Cb -0.15 -2.41 0.00 0.00 0.05 0.00 0.00 34.50 32.00 3hfa s PRO 402 CO -0.02 0.02 -0.22 -1.17 0.05 0.00 0.00 177.00 175.65 3hfa s LEU 403 N -3.62 2.02 -0.17 -3.56 2.96 0.16 -3.63 118.68 112.84 3hfa s LEU 403 Ca 0.52 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3hfa s LEU 403 Cb -0.10 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3hfa s LEU 403 CO 0.28 0.13 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.18 3hfa s LEU 404 N 0.45 3.16 -0.03 -0.68 2.96 0.06 -1.33 118.68 123.27 3hfa s LEU 404 Ca -0.17 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3hfa s LEU 404 Cb -0.17 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hfa s LEU 404 CO 0.07 0.13 -0.25 0.00 -1.32 0.00 0.00 176.35 174.97 3hfa s ALA 405 N 0.61 2.18 0.25 5.97 0.00 -0.23 -0.44 121.76 130.11 3hfa s ALA 405 Ca -0.03 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 3hfa s ALA 405 Cb -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3hfa s ALA 405 CO 0.02 0.51 0.59 0.20 0.00 0.00 0.00 175.76 177.09 3hfa s GLY 406 N -0.54 0.15 -0.17 0.00 0.00 0.03 -0.38 107.32 106.40 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 -0.14 -0.47 0.00 0.00 0.00 173.10 172.17 3hfa s TYR 407 N -3.95 2.36 -0.57 1.90 5.04 -0.36 0.51 117.35 122.27 3hfa s TYR 407 Ca 0.15 -1.41 -0.24 0.00 -2.44 0.00 0.00 57.07 53.13 3hfa s TYR 407 Cb -0.03 -1.67 0.05 0.00 0.35 0.00 0.00 41.96 40.66 3hfa s TYR 407 CO 0.06 -0.72 0.94 0.34 -1.34 0.00 0.00 175.55 174.83 3hfa s ASP 408 N 1.42 6.30 0.54 4.32 2.15 -0.18 -4.87 116.67 126.35 3hfa s ASP 408 Ca 0.03 -0.49 0.35 0.00 0.43 0.00 0.00 52.55 52.88 3hfa s ASP 408 Cb -0.14 -2.43 1.66 0.00 -0.30 0.00 0.00 42.92 41.71 3hfa s ASP 408 CO -0.10 -1.27 2.06 0.16 -0.17 0.00 0.00 175.17 175.85 3hfa h ILE 409 N 6.01 0.00 -0.02 4.11 3.07 -1.97 -1.78 117.51 126.93 3hfa h ILE 409 Ca -0.27 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.87 3hfa h ILE 409 Cb 1.07 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3hfa h ILE 409 CO 1.10 0.00 -0.06 1.41 -1.05 0.00 0.00 178.15 179.55 3hfa n HIS 410 N -2.92 0.00 -2.09 0.16 8.25 -1.26 -4.95 115.22 112.41 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 0.20 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.10 2.67 0.02 -1.41 0.00 -0.67 -4.96 121.76 115.31 3hfa s ALA 411 Ca 0.33 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.01 3hfa s ALA 411 Cb 0.20 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.73 3hfa s ALA 411 CO 0.37 -1.01 1.35 0.77 0.00 0.00 0.00 175.76 177.23 3hfa h SER 412 N 1.18 -0.34 -3.35 0.00 0.02 -1.92 -3.41 113.55 105.73 3hfa h SER 412 Ca -0.50 -0.15 -0.73 0.00 -0.84 0.00 0.00 61.79 59.57 3hfa h SER 412 Cb 1.28 0.09 -0.25 0.00 0.14 0.00 0.00 62.40 63.66 3hfa h SER 412 CO 0.56 -0.03 -0.38 -0.62 -1.14 0.00 0.00 176.83 175.22 3hfa s ASP 413 N -5.04 5.90 0.60 3.07 2.15 -1.26 -4.95 116.67 117.13 3hfa s ASP 413 Ca -0.15 -1.49 0.30 0.00 0.43 0.00 0.00 52.55 51.64 3hfa s ASP 413 Cb 0.03 -2.09 1.72 0.00 -0.30 0.00 0.00 42.92 42.28 3hfa s ASP 413 CO 0.58 -0.62 2.14 -0.65 -0.17 0.00 0.00 175.17 176.44 3hfa h PRO 414 N 8.59 0.00 -0.36 4.34 0.11 -1.95 -1.22 132.00 141.52 3hfa h PRO 414 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3hfa h PRO 414 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hfa h PRO 414 CO 0.84 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.59 3hfa h GLN 415 N 0.00 0.55 -0.06 1.05 1.08 -1.92 -3.17 115.11 112.63 3hfa h GLN 415 Ca 0.06 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3hfa h GLN 415 Cb 0.38 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3hfa h GLN 415 CO -0.00 0.58 -0.33 -1.13 -0.95 0.00 0.00 178.83 176.99 3hfa n SER 416 N -4.27 2.01 -0.01 1.46 3.41 -0.49 -0.59 113.62 115.13 3hfa n SER 416 Ca 0.02 -3.72 0.15 0.00 -0.26 0.00 0.00 58.87 55.06 3hfa n SER 416 Cb 0.25 -0.53 0.77 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.16 2.52 -1.77 7.33 0.00 -1.00 -4.82 120.51 121.62 3hfa n ALA 417 Ca 0.21 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 3hfa n ALA 417 Cb 0.74 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.51 2.91 -0.01 0.00 0.00 -1.26 -1.01 107.32 105.43 3hfa s GLY 418 Ca 0.30 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.30 3hfa s GLY 418 CO 0.45 1.83 -0.07 0.50 0.00 0.00 0.00 173.10 175.82 3hfa s ARG 419 N -2.37 0.60 -0.08 2.90 1.81 0.18 -4.91 118.95 117.09 3hfa s ARG 419 Ca 0.59 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.38 3hfa s ARG 419 Cb -0.38 -0.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.55 3hfa s ARG 419 CO 0.49 0.12 -0.08 0.42 -0.68 0.00 0.00 175.30 175.57 3hfa s ILE 420 N -0.01 0.92 -0.05 1.52 1.01 -1.26 -0.79 121.20 122.53 3hfa s ILE 420 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3hfa s ILE 420 Cb -0.04 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3hfa s ILE 420 CO -0.00 0.32 -0.11 -0.69 0.00 0.00 0.00 174.94 174.46 3hfa s VAL 421 N 1.14 1.02 0.24 2.92 1.01 0.42 -0.29 120.40 126.86 3hfa s VAL 421 Ca -0.06 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3hfa s VAL 421 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3hfa s VAL 421 CO -0.01 0.32 0.13 -0.94 0.00 0.00 0.00 175.10 174.60 3hfa s SER 422 N 0.57 5.28 0.01 3.32 1.04 -0.50 -0.76 113.70 122.66 3hfa s SER 422 Ca -0.12 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3hfa s SER 422 Cb -0.14 -1.27 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 3hfa s SER 422 CO 0.03 -0.01 -0.06 -0.36 0.98 0.00 0.00 173.24 173.82 3hfa s PHE 423 N -2.09 0.56 0.49 5.02 0.08 -1.24 -1.02 117.98 119.78 3hfa s PHE 423 Ca 0.32 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.21 3hfa s PHE 423 Cb -0.08 -0.35 0.03 0.00 -0.57 0.00 0.00 43.02 42.05 3hfa s PHE 423 CO 0.23 -0.03 0.56 0.16 -0.10 0.00 0.00 175.22 176.04 3hfa s ASP 424 N -0.65 5.17 0.36 1.36 1.47 -0.19 -4.71 116.67 119.49 3hfa s ASP 424 Ca -0.02 -0.77 0.27 0.00 1.18 0.00 0.00 52.55 53.21 3hfa s ASP 424 Cb -0.05 -0.17 1.18 0.00 -0.34 0.00 0.00 42.92 43.54 3hfa s ASP 424 CO 0.00 -0.97 1.80 0.00 0.68 0.00 0.00 175.17 176.68 3hfa h ALA 425 N 0.61 1.00 -0.36 2.11 0.00 -1.92 -2.24 119.26 118.47 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 0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3hfa n ALA 426 N -1.86 2.44 -0.21 0.00 0.00 -1.26 -4.41 120.51 115.21 3hfa n ALA 426 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3hfa n ALA 426 Cb 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.42 0.62 3.76 0.00 0.00 -0.84 -4.55 105.19 105.60 3hfa n GLY 427 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.26 2.91 0.08 -0.02 0.00 -1.26 -4.73 107.32 103.04 3hfa s GLY 428 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.10 3hfa s GLY 428 CO 0.00 1.92 -0.11 0.66 0.00 0.00 0.00 173.10 175.57 3hfa s TRP 429 N -1.26 1.05 -0.05 1.90 1.48 -1.26 -1.02 118.94 119.78 3hfa s TRP 429 Ca 0.62 -0.56 -0.02 0.00 -1.06 0.00 0.00 56.10 55.08 3hfa s TRP 429 Cb -0.41 -0.59 0.03 0.00 -1.16 0.00 0.00 33.47 31.35 3hfa s TRP 429 CO 0.51 0.01 0.09 1.21 -4.06 0.00 0.00 176.95 174.71 3hfa s ASN 430 N -2.06 0.65 -0.37 -2.66 2.47 -0.19 -4.98 114.94 107.80 3hfa s ASN 430 Ca 0.00 0.16 -0.29 0.00 0.42 0.00 0.00 52.86 53.15 3hfa s ASN 430 Cb -0.07 0.01 0.01 0.00 -1.45 0.00 0.00 41.25 39.76 3hfa s ASN 430 CO 0.01 -0.21 1.22 -0.63 -3.72 0.00 0.00 177.10 173.77 3hfa s ILE 431 N 1.82 4.20 0.22 -5.21 1.01 -1.26 -1.41 121.20 120.57 3hfa s ILE 431 Ca -0.00 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.66 3hfa s ILE 431 Cb -0.12 -4.36 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 3hfa s ILE 431 CO -0.04 -0.68 1.40 -0.70 0.00 0.00 0.00 174.94 174.92 3hfa s GLU 432 N 4.26 4.31 0.00 2.79 2.56 0.60 -4.93 118.70 128.29 3hfa s GLU 432 Ca 0.52 2.21 0.06 0.00 0.00 0.00 0.00 54.97 57.76 3hfa s GLU 432 Cb -0.12 -3.15 0.01 0.00 2.00 0.00 0.00 34.13 32.87 3hfa s GLU 432 CO 0.25 -0.38 0.56 0.39 -0.56 0.00 0.00 175.26 175.52 3hfa n GLU 433 N 2.66 1.58 -0.12 4.30 1.02 -1.26 -4.63 120.64 124.19 3hfa n GLU 433 Ca 0.07 -0.60 0.12 0.00 -0.02 0.00 0.00 57.16 56.73 3hfa n GLU 433 Cb 0.41 -1.01 0.17 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 -0.12 2.38 0.00 3.49 1.02 -1.26 -4.98 120.64 121.17 3hfa n GLU 434 Ca 0.03 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 3hfa n GLU 434 Cb 0.14 -1.48 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 1.40 3.20 3.51 0.62 0.00 -1.26 -5.03 105.19 107.63 3hfa n GLY 435 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.79 -0.15 0.22 1.61 -0.85 -1.26 -0.44 117.35 113.69 3hfa s TYR 436 Ca 0.00 -0.18 -0.21 0.00 -0.52 0.00 0.00 57.07 56.16 3hfa s TYR 436 Cb 0.00 0.40 0.04 0.00 0.38 0.00 0.00 41.96 42.78 3hfa s TYR 436 CO 0.00 -0.90 0.64 -1.14 -1.52 0.00 0.00 175.55 172.63 3hfa s GLN 437 N -3.86 1.54 -0.00 -3.49 2.00 -0.27 -4.96 119.66 110.62 3hfa s GLN 437 Ca 0.08 -0.79 -0.23 0.00 -2.00 0.00 0.00 55.36 52.42 3hfa s GLN 437 Cb -0.01 0.59 0.05 0.00 0.80 0.00 0.00 33.01 34.44 3hfa s GLN 437 CO -0.04 -0.69 0.52 0.00 -0.50 0.00 0.00 175.29 174.58 3hfa s ALA 438 N -3.85 -1.33 0.03 1.58 0.00 -1.26 -1.43 121.76 115.50 3hfa s ALA 438 Ca 0.07 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.81 3hfa s ALA 438 Cb -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3hfa s ALA 438 CO -0.02 -0.40 -0.05 0.54 0.00 0.00 0.00 175.76 175.84 3hfa s VAL 439 N -1.75 0.29 0.00 0.00 0.11 -0.18 -4.88 120.40 113.99 3hfa s VAL 439 Ca -0.09 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 3hfa s VAL 439 Cb -0.02 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3hfa s VAL 439 CO 0.04 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 3hfa n GLY 440 N 1.32 1.42 0.34 6.54 0.00 -1.26 -1.11 105.19 112.45 3hfa n GLY 440 Ca -0.22 -2.17 0.18 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.40 1.61 4.64 -1.25 -1.21 113.55 116.94 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 -1.28 2.82 0.31 -0.77 0.00 -1.15 -4.73 105.19 100.40 3hfa n GLY 442 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 2.38 0.84 -0.12 1.61 4.64 -1.46 -1.59 113.55 119.86 3hfa h SER 443 Ca 0.00 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3hfa h SER 443 Cb 0.84 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 3hfa h SER 443 CO 0.02 0.79 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.60 3hfa h LEU 444 N 0.89 -0.33 -0.89 5.97 4.07 -1.85 -0.09 115.31 123.09 3hfa h LEU 444 Ca 0.20 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 3hfa h LEU 444 Cb 0.24 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 3hfa h LEU 444 CO -0.01 -0.14 0.48 -0.26 -1.08 0.00 0.00 178.44 177.43 3hfa h PHE 445 N -0.12 1.24 -0.50 1.13 0.04 -1.78 -0.77 116.94 116.17 3hfa h PHE 445 Ca 0.08 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3hfa h PHE 445 Cb 0.24 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3hfa h PHE 445 CO -0.22 0.86 -0.08 0.00 -0.60 0.00 0.00 178.31 178.27 3hfa h ALA 446 N 1.26 0.69 -0.25 2.45 0.00 -1.02 -1.74 119.26 120.65 3hfa h ALA 446 Ca 0.31 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3hfa h ALA 446 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hfa h ALA 446 CO -0.05 0.57 -0.47 0.87 0.00 0.00 0.00 179.25 180.17 3hfa h LYS 447 N 0.80 0.67 0.00 0.00 1.57 -0.72 -0.41 116.57 118.48 3hfa h LYS 447 Ca 0.13 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 3hfa h LYS 447 Cb 0.62 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hfa h LYS 447 CO 0.04 0.99 -0.37 0.77 -0.57 0.00 0.00 179.45 180.31 3hfa h SER 448 N 0.53 0.00 -0.05 0.86 0.02 -1.05 0.31 113.55 114.17 3hfa h SER 448 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.10 0.37 -0.11 -1.28 -1.14 0.00 0.00 176.83 174.77 3hfa h SER 449 N 0.00 0.17 -0.29 3.07 0.87 -1.06 -3.25 113.55 113.05 3hfa h SER 449 Ca -0.00 -0.59 -0.04 0.00 -1.23 0.00 0.00 61.79 59.93 3hfa h SER 449 Cb 0.69 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3hfa h SER 449 CO 0.05 0.73 0.07 0.24 -0.53 0.00 0.00 176.83 177.39 3hfa h MET 450 N -0.38 0.56 -0.98 2.24 2.07 -0.85 -1.52 114.93 116.08 3hfa h MET 450 Ca -0.00 -0.10 0.21 0.00 -2.07 0.00 0.00 59.70 57.74 3hfa h MET 450 Cb 0.70 -0.09 -0.09 0.00 -1.87 0.00 0.00 31.60 30.25 3hfa h MET 450 CO 0.02 0.53 0.62 -0.22 1.07 0.00 0.00 176.91 178.93 3hfa h LYS 451 N 0.55 0.58 0.00 1.72 3.64 -0.97 0.28 116.57 122.37 3hfa h LYS 451 Ca 0.13 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 3hfa h LYS 451 Cb 0.24 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3hfa h LYS 451 CO -0.00 0.39 -1.39 0.87 -2.27 0.00 0.00 179.45 177.04 3hfa h LYS 452 N 0.60 0.00 0.00 1.90 1.79 -1.35 -3.39 116.57 116.12 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 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3hfa h LYS 452 CO -0.30 0.42 -1.66 1.28 -1.08 0.00 0.00 179.45 178.11 3hfa n LEU 453 N -3.00 0.29 0.27 2.94 4.77 -0.64 -4.54 117.00 117.08 3hfa n LEU 453 Ca -0.10 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3hfa n LEU 453 Cb 0.91 -0.02 0.73 0.00 -2.33 0.00 0.00 43.42 42.71 3hfa n LEU 453 CO 0.44 0.02 1.06 0.22 -1.33 0.00 0.00 177.39 177.79 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.69 -0.20 116.97 117.51 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 0.54 -2.11 4.64 -1.83 -1.11 113.55 113.68 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hfa h SER 455 CO 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.84 3hfa n GLN 456 N -2.76 0.42 -2.74 4.77 6.02 -0.09 -4.82 117.38 118.18 3hfa n GLN 456 Ca -0.01 -0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 3hfa n GLN 456 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.66 4.63 0.00 5.09 1.01 -0.42 -4.80 120.40 123.24 3hfa s VAL 457 Ca 0.23 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3hfa s VAL 457 Cb 0.20 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3hfa s VAL 457 CO 0.51 -0.36 0.00 0.35 0.00 0.00 0.00 175.10 175.60 3hfa n THR 458 N 5.68 0.00 -3.82 3.92 -2.24 -1.26 -4.88 114.28 111.68 3hfa n THR 458 Ca 0.09 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3hfa n THR 458 Cb 0.47 0.97 0.03 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 -0.36 0.02 0.36 3.42 1.47 -1.26 -4.55 116.67 115.76 3hfa s ASP 459 Ca 0.00 -1.11 0.04 0.00 1.18 0.00 0.00 52.55 52.65 3hfa s ASP 459 Cb 0.00 0.81 0.67 0.00 -0.34 0.00 0.00 42.92 44.06 3hfa s ASP 459 CO 0.00 -1.61 1.98 1.23 0.68 0.00 0.00 175.17 177.44 3hfa h GLY 460 N 2.00 0.73 0.67 2.12 0.00 -1.95 -0.07 103.07 106.57 3hfa h GLY 460 Ca -0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3hfa h GLY 460 CO 0.41 0.30 -0.03 -1.80 0.00 0.00 0.00 176.54 175.43 3hfa h ASP 461 N 0.69 0.14 0.41 0.19 1.82 -1.99 -0.59 116.42 117.08 3hfa h ASP 461 Ca 0.18 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.30 3hfa h ASP 461 Cb 0.04 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 3hfa h ASP 461 CO -0.03 0.51 -0.49 0.77 -1.61 0.00 0.00 179.24 178.39 3hfa h SER 462 N -0.23 0.10 -0.57 2.28 4.64 -1.86 -1.98 113.55 115.92 3hfa h SER 462 Ca 0.02 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 3hfa h SER 462 Cb 0.45 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3hfa h SER 462 CO 0.01 0.58 0.28 1.23 -0.87 0.00 0.00 176.83 178.06 3hfa h GLY 463 N 1.42 0.88 0.96 -0.77 0.00 -0.85 -1.24 103.07 103.47 3hfa h GLY 463 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3hfa h GLY 463 CO 0.07 0.41 0.05 -2.00 0.00 0.00 0.00 176.54 175.07 3hfa h LEU 464 N 0.78 0.72 -0.25 3.11 5.85 -0.85 -1.37 115.31 123.30 3hfa h LEU 464 Ca 0.20 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hfa h LEU 464 Cb 0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3hfa h LEU 464 CO -0.03 0.82 0.14 -0.09 -0.34 0.00 0.00 178.44 178.94 3hfa h ARG 465 N 0.60 0.28 -0.89 1.25 2.43 -1.18 -0.66 114.38 116.21 3hfa h ARG 465 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 465 Cb 0.42 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 3hfa h ARG 465 CO 0.01 0.18 0.49 0.28 -1.51 0.00 0.00 179.97 179.43 3hfa h VAL 466 N 0.29 1.26 -0.38 0.20 2.07 -1.08 0.14 116.25 118.75 3hfa h VAL 466 Ca 0.10 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3hfa h VAL 466 Cb 0.00 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3hfa h VAL 466 CO -0.05 0.29 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3hfa h ALA 467 N 1.29 0.48 -0.51 1.67 0.00 -0.85 0.34 119.26 121.69 3hfa h ALA 467 Ca 0.31 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 467 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hfa h ALA 467 CO -0.05 0.03 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 3hfa h VAL 468 N 0.48 1.25 -0.29 0.00 2.07 -0.79 -1.60 116.25 117.37 3hfa h VAL 468 Ca 0.13 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 3hfa h VAL 468 Cb 0.09 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hfa h VAL 468 CO -0.02 0.38 -0.30 -0.08 0.02 0.00 0.00 177.57 177.57 3hfa h GLU 469 N 0.80 0.61 -0.67 1.57 4.81 -0.71 -0.67 114.58 120.31 3hfa h GLU 469 Ca 0.15 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3hfa h GLU 469 Cb 0.50 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3hfa h GLU 469 CO 0.02 0.84 0.21 0.00 -0.73 0.00 0.00 179.01 179.35 3hfa h ALA 470 N 1.15 0.88 -0.88 2.92 0.00 -0.55 0.60 119.26 123.39 3hfa h ALA 470 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3hfa h ALA 470 Cb 0.78 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3hfa h ALA 470 CO 0.06 0.56 0.45 -0.07 0.00 0.00 0.00 179.25 180.25 3hfa h LEU 471 N 0.99 1.13 -0.22 0.00 4.07 -1.12 -0.48 115.31 119.67 3hfa h LEU 471 Ca 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3hfa h LEU 471 Cb 0.30 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3hfa h LEU 471 CO -0.01 0.93 0.12 0.22 -1.08 0.00 0.00 178.44 178.63 3hfa h TYR 472 N 1.24 0.31 -0.54 1.13 3.20 -0.39 -0.48 116.97 121.44 3hfa h TYR 472 Ca 0.31 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 3hfa h TYR 472 Cb 0.08 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3hfa h TYR 472 CO 0.01 0.27 0.18 -0.44 -1.64 0.00 0.00 178.16 176.54 3hfa h ASP 473 N 0.26 0.73 -0.44 -2.11 3.32 -0.63 -0.30 116.42 117.24 3hfa h ASP 473 Ca 0.08 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 473 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hfa h ASP 473 CO -0.01 0.69 0.20 0.00 -1.72 0.00 0.00 179.24 178.40 3hfa h ALA 474 N 1.41 0.57 -0.15 3.45 0.00 -0.65 -2.49 119.26 121.40 3hfa h ALA 474 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 474 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 474 CO -0.01 0.14 -0.31 0.00 0.00 0.00 0.00 179.25 179.07 3hfa h ALA 475 N 1.05 1.19 -0.29 0.00 0.00 -0.59 0.48 119.26 121.10 3hfa h ALA 475 Ca 0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hfa h ALA 475 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hfa h ALA 475 CO -0.02 0.53 0.02 0.22 0.00 0.00 0.00 179.25 180.00 3hfa h ASP 476 N 0.26 0.39 0.00 0.00 3.58 -0.68 -3.25 116.42 116.72 3hfa h ASP 476 Ca 0.04 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3hfa h ASP 476 Cb 0.68 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3hfa h ASP 476 CO 0.05 0.44 -0.60 0.47 -2.88 0.00 0.00 179.24 176.73 3hfa n ASP 477 N -4.33 0.73 -3.93 2.28 8.00 -0.97 -4.92 116.55 113.40 3hfa n ASP 477 Ca 0.01 -0.65 -0.29 0.00 0.71 0.00 0.00 54.79 54.57 3hfa n ASP 477 Cb 0.21 1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.10 3.14 0.39 -2.24 2.15 0.13 -5.00 116.67 113.13 3hfa s ASP 478 Ca 0.03 -0.80 0.28 0.00 0.43 0.00 0.00 52.55 52.49 3hfa s ASP 478 Cb 0.08 -1.05 1.24 0.00 -0.30 0.00 0.00 42.92 42.89 3hfa s ASP 478 CO 0.42 -0.18 1.84 0.77 -0.17 0.00 0.00 175.17 177.85 3hfa h SER 479 N 8.05 0.00 0.18 -0.34 4.64 -1.85 -1.77 113.55 122.45 3hfa h SER 479 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 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 -0.06 0.00 -0.87 0.00 0.00 176.83 176.33 3hfa n ALA 480 N -1.89 2.71 -2.87 5.18 0.00 -1.26 -4.78 120.51 117.60 3hfa n ALA 480 Ca 0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3hfa n ALA 480 Cb 0.21 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.25 3.26 -0.06 0.00 2.01 -0.67 -0.78 115.64 117.16 3hfa s THR 481 Ca 0.35 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.58 3hfa s THR 481 Cb 0.21 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3hfa s THR 481 CO 0.42 0.54 0.46 -0.83 -0.69 0.00 0.00 174.62 174.52 3hfa s GLY 482 N -0.02 2.45 0.80 4.40 0.00 -1.26 -4.49 107.32 109.20 3hfa s GLY 482 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.43 3hfa s GLY 482 CO 0.04 0.51 1.12 -0.32 0.00 0.00 0.00 173.10 174.44 3hfa s GLY 483 N -0.17 1.74 0.16 0.20 0.00 -1.26 -4.53 107.32 103.46 3hfa s GLY 483 Ca 0.25 -1.23 -0.34 0.00 0.00 0.00 0.00 44.72 43.41 3hfa s GLY 483 CO 0.12 -0.65 1.56 -1.05 0.00 0.00 0.00 173.10 173.08 3hfa n PRO 484 N -3.20 2.12 -3.44 2.90 -0.02 -1.26 -4.90 135.00 127.19 3hfa n PRO 484 Ca 0.12 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 3hfa n PRO 484 Cb 0.60 -2.52 -0.06 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 0.86 6.01 0.31 2.55 -1.08 -0.08 -4.93 116.67 120.31 3hfa s ASP 485 Ca 0.78 -2.02 0.14 0.00 -0.52 0.00 0.00 52.55 50.94 3hfa s ASP 485 Cb -0.68 -2.11 0.46 0.00 -1.46 0.00 0.00 42.92 39.13 3hfa s ASP 485 CO 0.39 -0.73 1.64 -0.07 0.52 0.00 0.00 175.17 176.92 3hfa h LEU 486 N 8.45 0.00 -0.07 -1.34 4.07 -1.93 0.28 115.31 124.78 3hfa h LEU 486 Ca -0.19 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 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 0.91 0.52 -0.01 0.58 -1.08 0.00 0.00 178.44 179.35 3hfa h VAL 487 N 0.00 1.29 0.00 1.22 2.07 -1.97 -3.26 116.25 115.60 3hfa h VAL 487 Ca -0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hfa h VAL 487 Cb 1.05 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3hfa h VAL 487 CO 0.07 0.25 -0.65 0.03 0.02 0.00 0.00 177.57 177.28 3hfa h ARG 488 N -0.20 0.00 -3.06 1.57 3.08 -1.98 -3.48 114.38 110.31 3hfa h ARG 488 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3hfa h ARG 488 Cb 0.40 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.51 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 1.25 0.28 3.29 0.04 0.00 0.90 -5.05 105.19 105.90 3hfa n GLY 489 Ca 0.02 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 2.53 0.25 -0.61 1.01 -0.68 -5.00 121.20 115.58 3hfa s ILE 490 Ca 0.12 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3hfa s ILE 490 Cb -0.05 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3hfa s ILE 490 CO 0.27 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.36 3hfa s PHE 491 N 0.40 1.76 0.73 3.97 0.08 -1.26 -0.90 117.98 122.75 3hfa s PHE 491 Ca -0.14 -0.81 -0.16 0.00 0.12 0.00 0.00 56.93 55.94 3hfa s PHE 491 Cb -0.17 -1.01 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3hfa s PHE 491 CO 0.06 0.12 0.83 -2.30 -0.10 0.00 0.00 175.22 173.84 3hfa n PRO 492 N -0.50 0.42 -4.01 0.24 -0.02 -1.26 -4.83 135.00 125.03 3hfa n PRO 492 Ca -0.05 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.38 3hfa n PRO 492 Cb 0.64 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 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 4.95 0.00 3.45 -4.23 -0.66 -4.93 115.64 112.35 3hfa s THR 493 Ca 0.71 -0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 3hfa s THR 493 Cb -0.34 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 69.92 3hfa s THR 493 CO 0.53 -0.20 0.29 0.00 -0.54 0.00 0.00 174.62 174.71 3hfa s ALA 494 N -1.87 -0.72 -0.03 3.99 0.00 -1.26 -1.24 121.76 120.63 3hfa s ALA 494 Ca 0.33 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3hfa s ALA 494 Cb -0.10 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3hfa s ALA 494 CO 0.27 -0.29 -0.15 0.08 0.00 0.00 0.00 175.76 175.66 3hfa s VAL 495 N -1.64 1.26 -0.09 0.00 1.01 0.71 -0.59 120.40 121.06 3hfa s VAL 495 Ca -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3hfa s VAL 495 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3hfa s VAL 495 CO 0.02 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.75 3hfa s ILE 496 N -0.02 3.32 -0.11 2.22 1.01 -0.47 -0.97 121.20 126.18 3hfa s ILE 496 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3hfa s ILE 496 Cb -0.10 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3hfa s ILE 496 CO 0.01 0.56 -0.12 -0.63 0.00 0.00 0.00 174.94 174.76 3hfa s ILE 497 N -0.30 1.30 0.00 2.92 1.01 -0.26 -0.82 121.20 125.06 3hfa s ILE 497 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3hfa s ILE 497 Cb -0.13 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3hfa s ILE 497 CO 0.03 0.41 0.00 -0.90 0.00 0.00 0.00 174.94 174.47 3hfa n ASP 498 N 4.40 0.48 0.28 3.58 5.68 -1.12 -1.24 116.55 128.61 3hfa n ASP 498 Ca -0.18 -0.11 0.14 0.00 -0.50 0.00 0.00 54.79 54.14 3hfa n ASP 498 Cb 0.51 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.34 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 1.67 -0.03 2.12 0.00 -1.95 0.28 119.26 122.35 3hfa h ALA 499 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 179.25 178.97 3hfa n ASP 500 N -4.00 0.81 0.00 0.00 8.00 -1.26 -5.03 116.55 115.07 3hfa n ASP 500 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3hfa n ASP 500 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 1.05 -3.28 3.72 0.44 0.00 0.09 -4.99 105.19 102.22 3hfa n GLY 501 Ca 0.19 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.14 3.34 0.03 4.61 0.00 0.94 -2.77 121.76 126.77 3hfa s ALA 502 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3hfa s ALA 502 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3hfa s ALA 502 CO 0.00 -0.08 -0.08 0.14 0.00 0.00 0.00 175.76 175.74 3hfa s VAL 503 N 0.72 0.59 0.16 0.00 -7.23 0.00 -4.97 120.40 109.67 3hfa s VAL 503 Ca 0.37 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 3hfa s VAL 503 Cb -0.18 -0.60 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 3hfa s VAL 503 CO 0.18 -0.19 1.24 -1.81 -0.31 0.00 0.00 175.10 174.21 3hfa s ASP 504 N -1.12 7.02 0.04 4.85 1.01 -1.26 -1.36 116.67 125.84 3hfa s ASP 504 Ca -0.05 2.24 -0.30 0.00 0.71 0.00 0.00 52.55 55.15 3hfa s ASP 504 Cb -0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.00 -0.45 1.00 -0.69 0.21 0.00 0.00 175.17 175.24 3hfa s VAL 505 N 0.31 4.64 0.31 -1.27 1.01 0.24 -4.90 120.40 120.74 3hfa s VAL 505 Ca 0.56 1.98 -0.29 0.00 0.00 0.00 0.00 61.98 64.23 3hfa s VAL 505 Cb -0.33 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 3hfa s VAL 505 CO 0.35 0.20 1.57 -2.84 0.00 0.00 0.00 175.10 174.38 3hfa s PRO 506 N 0.68 4.12 0.29 2.72 0.02 -1.26 -4.60 135.00 136.97 3hfa s PRO 506 Ca 0.51 2.57 0.04 0.00 0.02 0.00 0.00 61.00 64.14 3hfa s PRO 506 Cb -0.23 -3.01 0.71 0.00 0.02 0.00 0.00 34.50 31.99 3hfa s PRO 506 CO 0.29 -0.60 1.73 1.49 -0.33 0.00 0.00 177.00 179.57 3hfa h GLU 507 N 4.39 0.52 -0.82 5.54 4.81 -1.94 -1.82 114.58 125.26 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 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 3hfa h GLU 507 CO 0.75 0.34 0.53 0.66 -0.73 0.00 0.00 179.01 180.57 3hfa h SER 508 N 0.53 0.78 0.02 1.04 4.64 -1.99 0.14 113.55 118.71 3hfa h SER 508 Ca 0.55 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.68 3hfa h SER 508 Cb 0.97 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3hfa h SER 508 CO -0.46 0.50 -0.74 -0.09 -0.87 0.00 0.00 176.83 175.16 3hfa h ARG 509 N 0.88 0.63 -0.48 4.77 2.43 -1.71 -2.08 114.38 118.82 3hfa h ARG 509 Ca 0.36 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 3hfa h ARG 509 Cb 0.26 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hfa h ARG 509 CO -0.13 1.12 -0.19 0.82 -1.51 0.00 0.00 179.97 180.08 3hfa h ILE 510 N 0.43 1.27 -0.72 1.20 2.04 -1.18 -1.86 117.51 118.69 3hfa h ILE 510 Ca -0.04 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.48 3hfa h ILE 510 Cb 1.34 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 3hfa h ILE 510 CO 0.14 0.47 0.47 0.00 0.00 0.00 0.00 178.15 179.23 3hfa h ALA 511 N 0.93 0.91 -0.23 1.87 0.00 -0.67 0.38 119.26 122.45 3hfa h ALA 511 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 511 Cb 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 511 CO 0.06 0.32 0.11 1.49 0.00 0.00 0.00 179.25 181.24 3hfa h GLU 512 N 0.96 0.33 -0.52 0.00 4.81 -1.22 -0.88 114.58 118.06 3hfa h GLU 512 Ca 0.27 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3hfa h GLU 512 Cb -0.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3hfa h GLU 512 CO -0.06 0.33 0.26 -0.07 -0.73 0.00 0.00 179.01 178.74 3hfa h LEU 513 N 0.25 0.38 -0.45 1.64 4.07 -1.00 -1.49 115.31 118.71 3hfa h LEU 513 Ca 0.08 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 513 Cb 0.11 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3hfa h LEU 513 CO -0.01 0.26 0.26 0.00 -1.08 0.00 0.00 178.44 177.87 3hfa h ALA 514 N 1.28 0.57 -0.67 1.53 0.00 -0.59 -0.79 119.26 120.59 3hfa h ALA 514 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 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 -0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.33 3hfa h ARG 515 N 0.53 0.99 -0.25 0.00 3.08 -0.82 -0.28 114.38 117.63 3hfa h ARG 515 Ca 0.18 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hfa h ARG 515 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3hfa h ARG 515 CO -0.09 0.80 0.14 0.00 -1.07 0.00 0.00 179.97 179.76 3hfa h ALA 516 N 1.13 0.31 -0.27 0.04 0.00 -0.88 0.14 119.26 119.74 3hfa h ALA 516 Ca 0.23 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hfa h ALA 516 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 516 CO -0.02 -0.17 0.05 0.82 0.00 0.00 0.00 179.25 179.92 3hfa h ILE 517 N 0.30 0.87 -0.07 0.00 2.04 -0.80 0.58 117.51 120.42 3hfa h ILE 517 Ca 0.09 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3hfa h ILE 517 Cb 0.03 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3hfa h ILE 517 CO -0.02 0.03 0.01 0.40 0.00 0.00 0.00 178.15 178.57 3hfa h ILE 518 N 0.15 0.97 -0.68 -0.67 2.04 -0.81 -2.09 117.51 116.41 3hfa h ILE 518 Ca 0.12 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3hfa h ILE 518 Cb 0.13 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3hfa h ILE 518 CO -0.17 0.01 0.43 -0.33 0.00 0.00 0.00 178.15 178.09 3hfa h GLU 519 N 0.05 0.84 -0.54 2.37 5.08 -0.49 -1.80 114.58 120.09 3hfa h GLU 519 Ca 0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3hfa h GLU 519 Cb 0.03 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3hfa h GLU 519 CO -0.04 0.55 0.36 1.03 -1.00 0.00 0.00 179.01 179.91 3hfa h SER 520 N 0.86 0.46 0.49 1.42 0.87 -0.58 -2.00 113.55 115.08 3hfa h SER 520 Ca 0.26 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hfa h SER 520 Cb -0.03 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3hfa h SER 520 CO -0.09 0.31 -0.75 0.54 -0.53 0.00 0.00 176.83 176.31 3hfa n ARG 521 N -4.47 0.15 -0.00 2.24 1.74 -0.81 -3.86 116.66 111.64 3hfa n ARG 521 Ca 0.07 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 3hfa n ARG 521 Cb 0.21 -1.56 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.10 0.00 0.55 0.02 -0.85 -3.48 113.55 109.69 3hfa h SER 522 Ca 0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hfa h SER 522 Cb 0.62 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3hfa h SER 522 CO 0.00 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 3hfa n GLY 523 N 1.14 0.67 0.00 -3.77 0.00 -0.80 -5.12 105.19 97.32 3hfa n GLY 523 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 3hfa n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32