#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 0.42 -0.08 12.58 2.01 -1.26 -0.51 115.64 128.80 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 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.11 3hfa s THR 302 CO 0.00 0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.33 3hfa s ILE 303 N 0.44 1.21 0.16 1.82 1.01 -0.26 -2.31 121.20 123.26 3hfa s ILE 303 Ca -0.05 -0.50 0.11 0.00 0.00 0.00 0.00 60.65 60.21 3hfa s ILE 303 Cb -0.09 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3hfa s ILE 303 CO -0.00 0.38 -0.26 0.68 0.00 0.00 0.00 174.94 175.74 3hfa s VAL 304 N 0.79 2.28 -0.03 2.92 -7.23 0.04 -1.03 120.40 118.15 3hfa s VAL 304 Ca -0.12 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 3hfa s VAL 304 Cb -0.15 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3hfa s VAL 304 CO 0.02 -0.01 0.14 0.00 -0.31 0.00 0.00 175.10 174.95 3hfa s ALA 305 N -1.33 -0.34 -0.04 1.32 0.00 -0.39 -1.06 121.76 119.92 3hfa s ALA 305 Ca 0.17 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3hfa s ALA 305 Cb -0.09 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3hfa s ALA 305 CO 0.08 -0.12 0.27 -0.48 0.00 0.00 0.00 175.76 175.50 3hfa s LEU 306 N -0.49 1.00 0.08 0.00 0.05 -0.27 -1.14 118.68 117.90 3hfa s LEU 306 Ca -0.06 0.16 -0.20 0.00 0.05 0.00 0.00 54.13 54.08 3hfa s LEU 306 Cb -0.04 1.08 -0.07 0.00 -2.05 0.00 0.00 46.19 45.12 3hfa s LEU 306 CO 0.01 -0.34 0.60 -0.54 -0.55 0.00 0.00 176.35 175.52 3hfa s LYS 307 N -0.95 4.25 0.12 1.48 1.02 0.46 -1.05 119.74 125.07 3hfa s LYS 307 Ca -0.10 0.79 0.04 0.00 0.02 0.00 0.00 55.97 56.72 3hfa s LYS 307 Cb -0.05 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3hfa s LYS 307 CO 0.03 0.62 -0.11 1.52 -0.92 0.00 0.00 175.35 176.49 3hfa s TYR 308 N -1.06 1.18 0.10 3.18 -0.85 -0.49 -4.94 117.35 114.47 3hfa s TYR 308 Ca 0.30 -0.68 -0.32 0.00 -0.52 0.00 0.00 57.07 55.85 3hfa s TYR 308 Cb -0.20 -0.63 -0.12 0.00 0.38 0.00 0.00 41.96 41.40 3hfa s TYR 308 CO 0.20 0.05 1.79 -2.30 -1.52 0.00 0.00 175.55 173.77 3hfa n PRO 309 N 0.30 2.56 -0.21 -3.49 -0.02 -1.26 -1.06 135.00 131.81 3hfa n PRO 309 Ca -0.14 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3hfa n PRO 309 Cb 0.59 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3hfa n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfa n GLY 310 N 4.09 0.92 0.00 -1.23 0.00 -0.06 -4.66 105.19 104.25 3hfa n GLY 310 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.85 3.14 -0.02 0.00 -0.22 -4.33 105.19 102.60 3hfa n GLY 311 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.86 0.10 0.01 1.61 0.11 -0.65 -1.40 120.40 118.32 3hfa s VAL 312 Ca 0.00 -0.83 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 3hfa s VAL 312 Cb 0.00 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 3hfa s VAL 312 CO 0.00 -0.46 -0.13 0.54 -3.33 0.00 0.00 175.10 171.72 3hfa s VAL 313 N -2.00 1.03 -0.03 2.04 0.11 -0.21 -1.04 120.40 120.30 3hfa s VAL 313 Ca -0.10 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 3hfa s VAL 313 Cb -0.04 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3hfa s VAL 313 CO -0.01 0.17 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.49 3hfa s MET 314 N -0.64 1.15 0.01 1.54 1.75 -0.02 -1.12 119.30 121.98 3hfa s MET 314 Ca 0.03 -0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 54.08 3hfa s MET 314 Cb -0.06 -1.06 -0.01 0.00 2.84 0.00 0.00 34.83 36.54 3hfa s MET 314 CO 0.00 0.17 -0.02 0.00 -0.65 0.00 0.00 175.02 174.52 3hfa s ALA 315 N 0.08 0.08 0.04 4.11 0.00 -0.22 -0.18 121.76 125.66 3hfa s ALA 315 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3hfa s ALA 315 Cb -0.09 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 315 CO 0.01 -0.12 -0.04 0.20 0.00 0.00 0.00 175.76 175.81 3hfa s GLY 316 N -1.05 0.37 0.48 0.00 0.00 -0.36 -0.78 107.32 105.98 3hfa s GLY 316 Ca -0.12 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 3hfa s GLY 316 CO -0.01 -0.90 0.66 2.09 0.00 0.00 0.00 173.10 174.94 3hfa n ASP 317 N 1.10 0.15 0.00 1.64 5.75 -0.98 -1.77 116.55 122.44 3hfa n ASP 317 Ca -0.21 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3hfa n ASP 317 Cb 0.57 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -2.37 0.62 -3.44 0.11 5.12 -1.26 -4.50 116.66 110.94 3hfa n ARG 318 Ca 0.09 -0.86 -0.35 0.00 -1.93 0.00 0.00 57.85 54.80 3hfa n ARG 318 Cb 0.30 -0.96 -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 -0.38 3.89 0.04 5.56 3.52 -1.26 -1.35 118.95 128.97 3hfa s ARG 319 Ca 0.00 0.36 0.05 0.00 -0.13 0.00 0.00 55.73 56.01 3hfa s ARG 319 Cb 0.00 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.43 3hfa s ARG 319 CO 0.00 0.50 -0.14 -1.54 -0.81 0.00 0.00 175.30 173.31 3hfa s SER 320 N -1.77 1.60 0.07 -2.12 1.04 -0.78 -4.68 113.70 107.06 3hfa s SER 320 Ca 0.37 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.37 3hfa s SER 320 Cb -0.14 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 3hfa s SER 320 CO 0.19 0.00 -0.15 0.42 0.98 0.00 0.00 173.24 174.68 3hfa s THR 321 N -0.94 1.19 -0.42 2.02 -4.23 -1.26 -0.31 115.64 111.69 3hfa s THR 321 Ca 0.00 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3hfa s THR 321 Cb -0.08 -1.13 0.11 0.00 1.34 0.00 0.00 72.50 72.74 3hfa s THR 321 CO 0.01 -0.20 0.15 -1.58 -0.54 0.00 0.00 174.62 172.46 3hfa s GLN 322 N -1.74 1.72 7.80 3.99 0.74 0.11 -4.83 119.66 127.44 3hfa s GLN 322 Ca -0.01 -2.20 0.00 0.00 0.05 0.00 0.00 55.36 53.20 3hfa s GLN 322 Cb -0.10 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3hfa s GLN 322 CO 0.02 -1.02 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 3hfa n GLY 323 N 3.77 3.21 0.14 2.59 0.00 -1.26 -2.20 105.19 111.44 3hfa n GLY 323 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.59 1.61 2.35 -2.02 -3.47 115.58 110.46 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 0.18 0.49 -0.04 -1.65 0.00 0.00 177.43 176.40 3hfa s MET 325 N -3.19 4.59 -0.26 0.81 -1.94 -0.93 -4.98 119.30 113.40 3hfa s MET 325 Ca 0.02 1.75 -0.29 0.00 -1.71 0.00 0.00 55.69 55.45 3hfa s MET 325 Cb 0.08 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.66 3hfa s MET 325 CO 0.76 0.07 1.15 0.42 -0.01 0.00 0.00 175.02 177.42 3hfa s ILE 326 N -0.34 4.43 -0.81 2.53 1.01 -1.26 -0.72 121.20 126.04 3hfa s ILE 326 Ca 0.49 1.68 0.14 0.00 0.00 0.00 0.00 60.65 62.97 3hfa s ILE 326 Cb -0.30 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 37.80 3hfa s ILE 326 CO 0.36 -0.32 0.65 -1.54 0.00 0.00 0.00 174.94 174.09 3hfa n SER 327 N 6.82 0.84 -3.56 3.58 3.41 0.58 -4.91 113.62 120.38 3hfa n SER 327 Ca 0.13 -0.92 -0.15 0.00 -0.26 0.00 0.00 58.87 57.67 3hfa n SER 327 Cb 0.46 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.25 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 -2.26 -0.47 0.00 5.00 0.00 -1.00 -4.91 107.32 103.67 3hfa s GLY 328 Ca 0.07 1.68 0.00 0.00 0.00 0.00 0.00 44.72 46.47 3hfa s GLY 328 CO 0.55 1.16 0.22 0.54 0.00 0.00 0.00 173.10 175.57 3hfa n ARG 329 N 1.23 1.16 -0.37 2.90 1.74 -1.25 -1.87 116.66 120.20 3hfa n ARG 329 Ca -0.16 -0.22 0.03 0.00 -0.77 0.00 0.00 57.85 56.73 3hfa n ARG 329 Cb 0.57 -0.66 0.04 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.23 0.62 -4.74 0.55 5.68 -0.97 -4.63 116.55 112.83 3hfa n ASP 330 Ca 0.00 -2.25 -0.42 0.00 -0.50 0.00 0.00 54.79 51.63 3hfa n ASP 330 Cb 0.05 -0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 39.77 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 -0.37 0.98 -3.84 2.12 0.31 -0.46 -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 0.67 -1.95 -0.12 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.43 3.78 0.00 5.55 0.52 -1.26 -4.21 118.95 122.90 3hfa s ARG 332 Ca 0.65 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 3hfa s ARG 332 Cb -0.50 -3.32 -0.00 0.00 0.52 0.00 0.00 34.95 31.65 3hfa s ARG 332 CO 0.48 -0.04 0.38 1.63 0.02 0.00 0.00 175.30 177.77 3hfa n LYS 333 N 4.48 2.53 -4.00 3.54 5.02 -1.26 -4.95 118.16 123.52 3hfa n LYS 333 Ca -0.16 -0.37 -0.34 0.00 -2.02 0.00 0.00 58.31 55.42 3hfa n LYS 333 Cb 0.52 -0.86 -0.15 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.73 2.73 -0.06 -0.18 1.01 -1.26 -2.51 120.40 119.39 3hfa s VAL 334 Ca 0.02 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3hfa s VAL 334 Cb 0.02 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3hfa s VAL 334 CO 0.08 0.36 -0.24 -0.31 0.00 0.00 0.00 175.10 174.98 3hfa s TYR 335 N 1.35 2.37 -0.16 5.22 2.02 0.18 -4.96 117.35 123.37 3hfa s TYR 335 Ca 0.03 -0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 55.69 3hfa s TYR 335 Cb -0.15 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3hfa s TYR 335 CO -0.07 -0.24 1.33 0.42 -1.57 0.00 0.00 175.55 175.42 3hfa s ILE 336 N -0.06 4.16 -0.10 2.71 1.01 -1.26 -0.24 121.20 127.41 3hfa s ILE 336 Ca -0.06 1.39 0.17 0.00 0.00 0.00 0.00 60.65 62.15 3hfa s ILE 336 Cb -0.14 -3.92 -0.26 0.00 0.01 0.00 0.00 42.46 38.15 3hfa s ILE 336 CO 0.04 -0.15 0.24 0.35 0.00 0.00 0.00 174.94 175.42 3hfa n THR 337 N 5.47 0.62 -3.23 2.92 -2.24 -0.64 -4.94 114.28 112.23 3hfa n THR 337 Ca 0.15 -0.60 -0.01 0.00 -2.27 0.00 0.00 64.05 61.33 3hfa n THR 337 Cb 0.45 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.41 -0.10 0.27 3.42 5.68 -1.20 -4.47 116.55 117.73 3hfa n ASP 338 Ca -0.16 -1.08 0.17 0.00 -0.50 0.00 0.00 54.79 53.21 3hfa n ASP 338 Cb 0.79 0.17 0.92 0.00 -1.14 0.00 0.00 41.12 41.86 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 0.10 0.00 0.00 -1.12 3.32 -1.95 -3.04 116.42 113.73 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 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hfa h ASP 339 CO 0.02 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.12 3hfa n TYR 340 N -3.66 0.00 -4.02 4.55 4.01 -1.26 0.31 117.16 117.08 3hfa n TYR 340 Ca -0.01 -0.35 -0.09 0.00 -0.16 0.00 0.00 57.90 57.29 3hfa n TYR 340 Cb 0.20 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.96 0.17 0.02 -0.72 -4.23 -1.15 -1.13 115.64 107.64 3hfa s THR 341 Ca 0.09 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3hfa s THR 341 Cb 0.08 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 3hfa s THR 341 CO 0.01 -0.66 -0.04 0.00 -0.54 0.00 0.00 174.62 173.39 3hfa s ALA 342 N -2.27 0.23 -0.08 3.99 0.00 0.65 -1.62 121.76 122.66 3hfa s ALA 342 Ca -0.08 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3hfa s ALA 342 Cb -0.04 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hfa s ALA 342 CO -0.04 -0.06 -0.20 0.99 0.00 0.00 0.00 175.76 176.46 3hfa s THR 343 N -0.94 1.70 -0.07 0.00 2.01 0.67 -1.16 115.64 117.85 3hfa s THR 343 Ca -0.09 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.13 3hfa s THR 343 Cb -0.07 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 3hfa s THR 343 CO -0.00 0.48 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.38 3hfa s GLY 344 N 0.36 1.41 -0.06 4.40 0.00 -0.45 -0.64 107.32 112.34 3hfa s GLY 344 Ca -0.15 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3hfa s GLY 344 CO 0.06 -0.61 -0.08 -0.42 0.00 0.00 0.00 173.10 172.05 3hfa s ILE 345 N -0.26 0.84 -0.01 0.90 1.01 -1.04 0.38 121.20 123.02 3hfa s ILE 345 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3hfa s ILE 345 Cb -0.13 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3hfa s ILE 345 CO 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 174.94 175.22 3hfa s ALA 346 N 0.88 3.12 0.00 9.38 0.00 -0.64 -4.95 121.76 129.55 3hfa s ALA 346 Ca -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3hfa s ALA 346 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3hfa s ALA 346 CO 0.01 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3hfa n GLY 347 N 1.55 0.50 3.71 0.00 0.00 -1.26 -0.64 105.19 109.06 3hfa n GLY 347 Ca -0.15 -2.25 -0.58 0.00 0.00 0.00 0.00 46.02 43.03 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 0.01 0.28 -0.04 2.61 -1.04 -0.12 -4.83 114.28 111.17 3hfa n THR 348 Ca 0.00 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.88 3hfa n THR 348 Cb 0.00 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.32 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 7.05 -0.02 -0.96 2.41 0.00 -1.96 -0.10 119.26 125.67 3hfa h ALA 349 Ca -0.46 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3hfa h ALA 349 Cb 1.32 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3hfa h ALA 349 CO 0.96 -0.59 0.62 0.00 0.00 0.00 0.00 179.25 180.24 3hfa h ALA 350 N 0.95 1.30 -0.29 0.00 0.00 -2.00 -1.66 119.26 117.56 3hfa h ALA 350 Ca 0.13 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 350 Cb 0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 350 CO -0.32 0.46 -0.54 0.28 0.00 0.00 0.00 179.25 179.14 3hfa h VAL 351 N 1.18 1.28 -0.12 0.00 2.07 -1.73 -2.77 116.25 116.15 3hfa h VAL 351 Ca 0.40 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3hfa h VAL 351 Cb 0.07 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3hfa h VAL 351 CO -0.14 0.56 0.07 0.00 0.02 0.00 0.00 177.57 178.08 3hfa h ALA 352 N 0.72 0.15 -0.49 1.67 0.00 -0.45 -1.12 119.26 119.73 3hfa h ALA 352 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 352 Cb 1.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hfa h ALA 352 CO 0.12 -0.34 0.23 0.28 0.00 0.00 0.00 179.25 179.54 3hfa h VAL 353 N 0.13 1.20 -0.28 0.00 2.07 -1.37 -2.15 116.25 115.85 3hfa h VAL 353 Ca 0.04 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3hfa h VAL 353 Cb 0.02 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3hfa h VAL 353 CO -0.01 0.22 -0.10 -0.33 0.02 0.00 0.00 177.57 177.38 3hfa h GLU 354 N 0.66 -0.04 0.20 1.57 5.08 -1.33 -1.29 114.58 119.43 3hfa h GLU 354 Ca 0.17 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3hfa h GLU 354 Cb 0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3hfa h GLU 354 CO -0.02 -0.03 -0.44 0.74 -1.00 0.00 0.00 179.01 178.26 3hfa h PHE 355 N -0.04 -1.24 -0.58 4.33 0.04 -0.89 0.55 116.94 119.11 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 0.25 0.52 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 3hfa h PHE 355 CO -0.30 -0.55 0.36 0.00 -0.60 0.00 0.00 178.31 177.22 3hfa h ALA 356 N -0.34 0.75 0.18 2.45 0.00 -1.23 0.16 119.26 121.23 3hfa h ALA 356 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 356 Cb 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hfa h ALA 356 CO -0.20 0.09 -0.09 -0.09 0.00 0.00 0.00 179.25 178.96 3hfa h ARG 357 N 0.71 -0.24 -0.74 0.00 2.43 -1.06 -2.34 114.38 113.14 3hfa h ARG 357 Ca 0.23 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3hfa h ARG 357 Cb 0.01 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3hfa h ARG 357 CO -0.09 0.14 0.29 1.25 -1.51 0.00 0.00 179.97 180.05 3hfa h LEU 358 N -0.70 1.01 -0.29 3.80 5.85 -0.79 -2.13 115.31 122.05 3hfa h LEU 358 Ca -0.03 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3hfa h LEU 358 Cb 0.49 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hfa h LEU 358 CO 0.04 0.90 0.12 0.22 -0.34 0.00 0.00 178.44 179.38 3hfa h TYR 359 N 1.07 0.44 -0.87 1.25 3.20 -0.69 0.74 116.97 122.11 3hfa h TYR 359 Ca 0.25 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hfa h TYR 359 Cb 0.20 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3hfa h TYR 359 CO 0.02 0.42 0.43 0.00 -1.64 0.00 0.00 178.16 177.39 3hfa h ALA 360 N 0.97 1.12 -0.43 1.82 0.00 -1.24 -0.66 119.26 120.85 3hfa h ALA 360 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 360 Cb 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hfa h ALA 360 CO -0.01 0.67 0.21 0.28 0.00 0.00 0.00 179.25 180.40 3hfa h VAL 361 N 1.23 1.18 -0.72 0.00 2.07 -1.06 -2.55 116.25 116.39 3hfa h VAL 361 Ca 0.30 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3hfa h VAL 361 Cb 0.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3hfa h VAL 361 CO -0.04 0.19 0.38 -0.08 0.02 0.00 0.00 177.57 178.04 3hfa h GLU 362 N 0.55 1.02 -0.15 1.57 4.81 -0.20 0.13 114.58 122.30 3hfa h GLU 362 Ca 0.15 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3hfa h GLU 362 Cb 0.11 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hfa h GLU 362 CO -0.02 0.78 0.09 -0.07 -0.73 0.00 0.00 179.01 179.06 3hfa h LEU 363 N 1.00 0.17 -0.64 1.64 4.07 -1.00 -1.89 115.31 118.67 3hfa h LEU 363 Ca 0.25 -0.03 -0.15 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 363 Cb 0.07 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3hfa h LEU 363 CO -0.04 0.15 -0.67 -0.08 -1.08 0.00 0.00 178.44 176.72 3hfa h GLU 364 N 0.18 0.05 -0.36 1.13 4.81 -1.30 -2.54 114.58 116.56 3hfa h GLU 364 Ca 0.05 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3hfa h GLU 364 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3hfa h GLU 364 CO -0.01 0.70 0.17 1.25 -0.73 0.00 0.00 179.01 180.39 3hfa h HIS 365 N 0.04 0.31 -0.30 0.92 2.76 -0.51 -0.19 115.15 118.18 3hfa h HIS 365 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.19 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3hfa h HIS 365 CO 0.01 0.16 0.13 -0.92 -1.30 0.00 0.00 177.93 176.00 3hfa h TYR 366 N 0.35 0.45 -0.44 5.26 3.20 -1.18 -1.36 116.97 123.26 3hfa h TYR 366 Ca 0.15 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3hfa h TYR 366 Cb 0.07 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3hfa h TYR 366 CO -0.11 0.43 0.22 1.49 -1.64 0.00 0.00 178.16 178.56 3hfa h GLU 367 N 0.34 0.44 -0.63 1.82 4.81 -1.14 0.98 114.58 121.20 3hfa h GLU 367 Ca 0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3hfa h GLU 367 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3hfa h GLU 367 CO -0.01 0.29 0.02 0.87 -0.73 0.00 0.00 179.01 179.45 3hfa h LYS 368 N 0.45 1.09 -0.32 1.92 1.57 -0.90 0.32 116.57 120.70 3hfa h LYS 368 Ca 0.19 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3hfa h LYS 368 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hfa h LYS 368 CO -0.12 1.05 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.58 3hfa h LEU 369 N 1.00 0.69 -0.43 2.94 3.38 -0.77 -3.34 115.31 118.79 3hfa h LEU 369 Ca 0.18 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hfa h LEU 369 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hfa h LEU 369 CO 0.03 0.95 -0.61 -0.62 0.09 0.00 0.00 178.44 178.28 3hfa n GLU 370 N -4.36 1.46 -0.06 1.13 -0.58 0.30 -4.97 120.64 113.55 3hfa n GLU 370 Ca -0.03 -0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 3hfa n GLU 370 Cb 0.38 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 1.32 2.23 2.99 0.62 0.00 0.11 -4.98 105.19 107.50 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 -2.84 0.14 0.63 1.61 0.11 -1.19 -4.97 120.40 113.89 3hfa s VAL 372 Ca 0.00 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 3hfa s VAL 372 Cb 0.00 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3hfa s VAL 372 CO 0.00 -0.55 1.08 -2.84 -3.33 0.00 0.00 175.10 169.46 3hfa s PRO 373 N -1.72 3.08 0.55 1.54 0.02 -1.26 -3.96 135.00 133.25 3hfa s PRO 373 Ca -0.13 1.24 -0.20 0.00 0.02 0.00 0.00 61.00 61.92 3hfa s PRO 373 Cb -0.08 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 3hfa s PRO 373 CO -0.02 -1.00 1.06 1.28 -0.33 0.00 0.00 177.00 177.99 3hfa n LEU 374 N -2.30 3.88 -4.65 -5.54 4.32 -1.26 -5.00 117.00 106.46 3hfa n LEU 374 Ca 0.09 0.89 -0.30 0.00 -0.02 0.00 0.00 56.01 56.68 3hfa n LEU 374 Cb 0.53 -1.42 0.18 0.00 -1.62 0.00 0.00 43.42 41.08 3hfa n LEU 374 CO 0.48 -1.49 0.63 0.42 -1.22 0.00 0.00 177.39 176.21 3hfa s THR 375 N -1.41 2.36 0.20 -5.08 -4.23 -1.26 -4.78 115.64 101.43 3hfa s THR 375 Ca 0.72 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 61.25 3hfa s THR 375 Cb -0.44 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.15 3hfa s THR 375 CO 0.50 -0.15 1.81 0.15 -0.54 0.00 0.00 174.62 176.38 3hfa h PHE 376 N -1.92 1.04 -0.74 3.99 3.57 -1.98 -1.08 116.94 119.82 3hfa h PHE 376 Ca -0.51 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.06 3hfa h PHE 376 Cb 1.29 -0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 3hfa h PHE 376 CO 0.40 0.74 0.37 0.00 -2.23 0.00 0.00 178.31 177.59 3hfa h ALA 377 N 1.20 1.04 -0.80 2.41 0.00 -2.00 -0.40 119.26 120.71 3hfa h ALA 377 Ca 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3hfa h ALA 377 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 377 CO -0.04 -0.06 0.41 0.78 0.00 0.00 0.00 179.25 180.33 3hfa h GLY 378 N 0.60 1.21 1.02 0.00 0.00 -1.62 -1.00 103.07 103.28 3hfa h GLY 378 Ca 0.38 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 378 CO -0.30 0.56 0.39 0.50 0.00 0.00 0.00 176.54 177.69 3hfa h LYS 379 N 1.12 1.11 -0.15 4.80 1.57 -0.20 -1.55 116.57 123.27 3hfa h LYS 379 Ca 0.28 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hfa h LYS 379 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3hfa h LYS 379 CO -0.04 0.85 0.10 0.82 -0.57 0.00 0.00 179.45 180.61 3hfa h ILE 380 N 1.10 1.05 -0.45 1.86 2.04 -0.67 -2.51 117.51 119.93 3hfa h ILE 380 Ca 0.27 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3hfa h ILE 380 Cb 0.09 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3hfa h ILE 380 CO -0.04 0.05 0.28 -1.13 0.00 0.00 0.00 178.15 177.32 3hfa h ASN 381 N 0.19 0.48 -0.65 1.72 -1.24 -0.83 -0.84 115.58 114.41 3hfa h ASN 381 Ca 0.05 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 3hfa h ASN 381 Cb -0.00 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 3hfa h ASN 381 CO -0.01 0.34 0.28 0.03 -1.29 0.00 0.00 177.43 176.78 3hfa h ARG 382 N 0.58 0.96 -0.56 6.67 2.47 -1.20 0.44 114.38 123.75 3hfa h ARG 382 Ca 0.17 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3hfa h ARG 382 Cb -0.03 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 3hfa h ARG 382 CO -0.06 0.79 0.24 1.25 0.56 0.00 0.00 179.97 182.75 3hfa h LEU 383 N 0.91 0.75 -0.48 3.04 5.85 -1.15 -1.22 115.31 123.02 3hfa h LEU 383 Ca 0.22 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hfa h LEU 383 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hfa h LEU 383 CO -0.02 0.70 0.28 0.00 -0.34 0.00 0.00 178.44 179.07 3hfa h ALA 384 N 1.08 0.62 -0.64 1.25 0.00 -0.62 -0.70 119.26 120.25 3hfa h ALA 384 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 384 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hfa h ALA 384 CO -0.02 0.11 0.24 0.82 0.00 0.00 0.00 179.25 180.40 3hfa h ILE 385 N 0.64 1.24 -0.64 0.00 2.04 -0.76 0.01 117.51 120.04 3hfa h ILE 385 Ca 0.17 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3hfa h ILE 385 Cb 0.01 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3hfa h ILE 385 CO -0.03 0.30 0.42 -0.03 0.00 0.00 0.00 178.15 178.81 3hfa h MET 386 N 0.90 0.82 -0.49 2.37 4.05 -0.88 -0.82 114.93 120.88 3hfa h MET 386 Ca 0.21 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3hfa h MET 386 Cb 0.23 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3hfa h MET 386 CO -0.01 0.54 0.20 0.28 0.23 0.00 0.00 176.91 178.15 3hfa h VAL 387 N 0.85 1.21 -0.68 -5.77 2.07 -0.65 -2.65 116.25 110.63 3hfa h VAL 387 Ca 0.24 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hfa h VAL 387 Cb -0.07 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3hfa h VAL 387 CO -0.06 0.24 0.44 -0.09 0.02 0.00 0.00 177.57 178.11 3hfa h ARG 388 N 0.65 0.91 -0.08 1.57 2.43 -0.57 -0.73 114.38 118.57 3hfa h ARG 388 Ca 0.16 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 388 Cb 0.19 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3hfa h ARG 388 CO -0.01 0.61 0.15 0.78 -1.51 0.00 0.00 179.97 179.99 3hfa h GLY 389 N 0.94 0.00 -1.68 2.80 0.00 -0.78 -1.35 103.07 103.00 3hfa h GLY 389 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hfa h GLY 389 CO -0.05 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.48 3hfa n ASN 390 N -3.42 2.74 -0.08 0.19 5.15 -0.28 -4.55 115.26 115.00 3hfa n ASN 390 Ca -0.01 -1.88 -0.07 0.00 -0.60 0.00 0.00 54.58 52.02 3hfa n ASN 390 Cb 0.24 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 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 3.90 -0.27 -0.20 1.20 5.85 -1.24 0.34 115.31 124.90 3hfa h LEU 391 Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3hfa h LEU 391 Cb 0.84 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3hfa h LEU 391 CO 0.00 -0.10 -0.21 0.00 -0.34 0.00 0.00 178.44 177.80 3hfa h ALA 392 N 1.29 -0.11 -0.87 1.25 0.00 -1.81 0.71 119.26 119.72 3hfa h ALA 392 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 392 Cb 0.21 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3hfa h ALA 392 CO -0.30 -0.64 0.52 0.00 0.00 0.00 0.00 179.25 178.83 3hfa h ALA 393 N 0.82 1.28 -0.52 0.00 0.00 -1.72 -2.31 119.26 116.80 3hfa h ALA 393 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 393 Cb 0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 393 CO -0.33 0.61 0.19 0.00 0.00 0.00 0.00 179.25 179.72 3hfa h ALA 394 N 1.38 1.35 0.00 0.00 0.00 0.88 0.37 119.26 123.23 3hfa h ALA 394 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 394 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hfa h ALA 394 CO -0.06 0.48 0.00 0.52 0.00 0.00 0.00 179.25 180.19 3hfa h MET 395 N 0.75 0.00 -0.30 0.00 2.86 -0.35 -1.11 114.93 116.79 3hfa h MET 395 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hfa h MET 395 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hfa h MET 395 CO -0.01 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.00 3hfa n GLN 396 N -2.52 2.16 0.00 1.72 1.13 0.01 -4.93 117.38 114.95 3hfa n GLN 396 Ca 0.02 -1.75 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 3hfa n GLN 396 Cb 0.25 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.33 0.51 2.59 1.08 0.00 -0.42 -5.00 105.19 105.28 3hfa n GLY 397 Ca 0.18 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 7.66 -4.74 0.99 4.77 -0.56 -4.88 117.00 120.23 3hfa n LEU 398 Ca 0.00 -4.97 -0.36 0.00 -0.03 0.00 0.00 56.01 50.65 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 1.95 -0.05 -0.22 -1.33 0.00 0.00 177.39 177.74 3hfa s LEU 399 N -2.32 4.26 -0.05 2.23 2.96 -1.26 -3.71 118.68 120.78 3hfa s LEU 399 Ca 0.48 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3hfa s LEU 399 Cb 0.17 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3hfa s LEU 399 CO -0.08 0.14 0.12 0.00 -1.32 0.00 0.00 176.35 175.22 3hfa s ALA 400 N 0.27 -0.26 -0.14 5.97 0.00 -1.26 -0.94 121.76 125.40 3hfa s ALA 400 Ca 0.15 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3hfa s ALA 400 Cb -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3hfa s ALA 400 CO 0.03 -0.09 -0.21 -0.51 0.00 0.00 0.00 175.76 174.98 3hfa s LEU 401 N 0.51 2.06 0.44 0.00 1.43 0.18 -4.95 118.68 118.36 3hfa s LEU 401 Ca -0.04 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 3hfa s LEU 401 Cb -0.05 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 3hfa s LEU 401 CO -0.02 0.07 0.83 -2.16 0.23 0.00 0.00 176.35 175.30 3hfa s PRO 402 N 0.85 3.80 -0.09 1.29 0.05 -1.26 -1.63 135.00 138.01 3hfa s PRO 402 Ca -0.07 0.58 0.03 0.00 0.05 0.00 0.00 61.00 61.59 3hfa s PRO 402 Cb -0.15 -2.32 0.01 0.00 0.05 0.00 0.00 34.50 32.08 3hfa s PRO 402 CO -0.02 -0.12 -0.19 -1.17 0.05 0.00 0.00 177.00 175.55 3hfa s LEU 403 N -3.99 1.90 -0.16 -3.56 2.96 0.16 -3.68 118.68 112.31 3hfa s LEU 403 Ca 0.53 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3hfa s LEU 403 Cb -0.10 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 3hfa s LEU 403 CO 0.33 0.11 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.17 3hfa s LEU 404 N 0.48 2.98 -0.03 -0.68 2.96 0.11 -1.34 118.68 123.16 3hfa s LEU 404 Ca -0.17 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3hfa s LEU 404 Cb -0.17 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hfa s LEU 404 CO 0.07 0.12 -0.26 0.00 -1.32 0.00 0.00 176.35 174.96 3hfa s ALA 405 N 0.64 2.15 0.26 5.97 0.00 -0.31 -0.20 121.76 130.26 3hfa s ALA 405 Ca -0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 3hfa s ALA 405 Cb -0.15 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3hfa s ALA 405 CO 0.03 0.50 0.58 0.20 0.00 0.00 0.00 175.76 177.06 3hfa s GLY 406 N -0.48 0.22 -0.18 0.00 0.00 0.14 -0.25 107.32 106.76 3hfa s GLY 406 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3hfa s GLY 406 CO 0.00 -0.37 -0.14 -0.47 0.00 0.00 0.00 173.10 172.12 3hfa s TYR 407 N -3.96 2.51 -0.61 1.90 5.04 -0.28 0.40 117.35 122.34 3hfa s TYR 407 Ca 0.17 -1.57 -0.25 0.00 -2.44 0.00 0.00 57.07 52.98 3hfa s TYR 407 Cb -0.03 -1.72 0.04 0.00 0.35 0.00 0.00 41.96 40.60 3hfa s TYR 407 CO 0.07 -0.75 1.05 0.34 -1.34 0.00 0.00 175.55 174.92 3hfa s ASP 408 N 1.37 6.29 0.62 4.32 2.15 0.19 -4.88 116.67 126.73 3hfa s ASP 408 Ca 0.01 -0.43 0.40 0.00 0.43 0.00 0.00 52.55 52.96 3hfa s ASP 408 Cb -0.15 -2.48 1.98 0.00 -0.30 0.00 0.00 42.92 41.97 3hfa s ASP 408 CO -0.10 -1.43 2.21 0.16 -0.17 0.00 0.00 175.17 175.84 3hfa h ILE 409 N 6.04 0.04 -0.01 4.11 3.07 -1.97 -1.83 117.51 126.95 3hfa h ILE 409 Ca -0.27 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3hfa h ILE 409 Cb 1.07 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 3hfa h ILE 409 CO 1.16 0.01 -0.16 1.41 -1.05 0.00 0.00 178.15 179.52 3hfa n HIS 410 N -3.13 0.00 -2.04 0.16 8.25 -1.26 -4.94 115.22 112.27 3hfa n HIS 410 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.17 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.27 2.66 0.02 -1.41 0.00 -0.69 -4.96 121.76 115.11 3hfa s ALA 411 Ca 0.29 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3hfa s ALA 411 Cb 0.20 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.70 3hfa s ALA 411 CO 0.44 -1.09 1.33 0.77 0.00 0.00 0.00 175.76 177.20 3hfa h SER 412 N 1.17 -0.41 -3.31 0.00 0.02 -1.92 -3.41 113.55 105.69 3hfa h SER 412 Ca -0.50 -0.12 -0.73 0.00 -0.84 0.00 0.00 61.79 59.59 3hfa h SER 412 Cb 1.29 0.11 -0.25 0.00 0.14 0.00 0.00 62.40 63.68 3hfa h SER 412 CO 0.56 -0.09 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.18 3hfa s ASP 413 N -4.96 5.94 0.59 3.07 2.15 -1.26 -4.95 116.67 117.25 3hfa s ASP 413 Ca -0.15 -1.53 0.29 0.00 0.43 0.00 0.00 52.55 51.59 3hfa s ASP 413 Cb 0.03 -2.11 1.64 0.00 -0.30 0.00 0.00 42.92 42.18 3hfa s ASP 413 CO 0.56 -0.65 2.09 -0.65 -0.17 0.00 0.00 175.17 176.34 3hfa h PRO 414 N 8.63 0.00 -0.30 4.34 0.11 -1.95 -1.24 132.00 141.60 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 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hfa h PRO 414 CO 0.87 0.00 -0.03 1.96 -0.21 0.00 0.00 178.00 180.59 3hfa h GLN 415 N 0.00 0.46 -0.02 1.05 1.08 -1.92 -3.15 115.11 112.61 3hfa h GLN 415 Ca 0.09 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3hfa h GLN 415 Cb 0.53 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3hfa h GLN 415 CO -0.00 0.51 -0.37 -1.13 -0.95 0.00 0.00 178.83 176.89 3hfa n SER 416 N -4.28 1.90 -0.00 1.46 3.41 -0.50 -0.88 113.62 114.74 3hfa n SER 416 Ca 0.01 -3.72 0.15 0.00 -0.26 0.00 0.00 58.87 55.05 3hfa n SER 416 Cb 0.25 -0.51 0.82 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.18 2.55 -1.76 7.33 0.00 -1.01 -4.81 120.51 121.62 3hfa n ALA 417 Ca 0.19 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3hfa n ALA 417 Cb 0.70 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.40 2.89 -0.01 0.00 0.00 -1.26 -0.63 107.32 105.91 3hfa s GLY 418 Ca 0.34 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.31 3hfa s GLY 418 CO 0.43 1.78 -0.05 0.50 0.00 0.00 0.00 173.10 175.76 3hfa s ARG 419 N -2.45 0.53 -0.08 2.90 1.81 0.16 -4.89 118.95 116.93 3hfa s ARG 419 Ca 0.61 -0.17 0.01 0.00 -1.72 0.00 0.00 55.73 54.45 3hfa s ARG 419 Cb -0.37 -0.53 0.02 0.00 -0.45 0.00 0.00 34.95 33.62 3hfa s ARG 419 CO 0.47 0.07 -0.09 0.42 -0.68 0.00 0.00 175.30 175.49 3hfa s ILE 420 N 0.12 1.01 -0.06 1.52 1.01 -1.26 -0.68 121.20 122.86 3hfa s ILE 420 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3hfa s ILE 420 Cb -0.05 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.45 3hfa s ILE 420 CO -0.00 0.34 -0.12 -0.69 0.00 0.00 0.00 174.94 174.47 3hfa s VAL 421 N 1.11 1.11 0.27 2.92 1.01 0.72 -0.41 120.40 127.13 3hfa s VAL 421 Ca -0.07 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3hfa s VAL 421 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3hfa s VAL 421 CO -0.01 0.35 0.19 -0.94 0.00 0.00 0.00 175.10 174.68 3hfa s SER 422 N 0.56 5.36 0.01 3.32 1.04 -0.39 -0.71 113.70 122.89 3hfa s SER 422 Ca -0.12 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3hfa s SER 422 Cb -0.15 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.71 3hfa s SER 422 CO 0.03 -0.09 -0.04 -0.36 0.98 0.00 0.00 173.24 173.76 3hfa s PHE 423 N -2.19 0.32 0.47 5.02 0.08 -1.24 -0.92 117.98 119.52 3hfa s PHE 423 Ca 0.34 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.27 3hfa s PHE 423 Cb -0.07 -0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 3hfa s PHE 423 CO 0.25 -0.05 0.52 0.16 -0.10 0.00 0.00 175.22 176.00 3hfa s ASP 424 N -0.55 5.18 0.39 1.36 1.47 0.11 -4.72 116.67 119.91 3hfa s ASP 424 Ca -0.04 -0.74 0.28 0.00 1.18 0.00 0.00 52.55 53.23 3hfa s ASP 424 Cb -0.04 -0.28 1.28 0.00 -0.34 0.00 0.00 42.92 43.54 3hfa s ASP 424 CO -0.00 -0.89 1.84 0.00 0.68 0.00 0.00 175.17 176.80 3hfa h ALA 425 N 0.71 1.00 -0.38 2.11 0.00 -1.92 -2.02 119.26 118.76 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 -1.88 2.43 -0.17 0.00 0.00 -1.26 -4.41 120.51 115.23 3hfa n ALA 426 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3hfa n ALA 426 Cb 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.46 0.66 3.77 0.00 0.00 -0.76 -4.58 105.19 105.74 3hfa n GLY 427 Ca 0.19 0.00 -0.40 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 -1.35 2.95 0.09 -0.02 0.00 -1.25 -4.74 107.32 103.00 3hfa s GLY 428 Ca 0.00 1.37 0.05 0.00 0.00 0.00 0.00 44.72 46.14 3hfa s GLY 428 CO 0.00 2.01 -0.14 0.66 0.00 0.00 0.00 173.10 175.63 3hfa s TRP 429 N -1.18 1.26 -0.03 1.90 1.48 -1.26 -0.71 118.94 120.40 3hfa s TRP 429 Ca 0.54 -0.52 -0.01 0.00 -1.06 0.00 0.00 56.10 55.05 3hfa s TRP 429 Cb -0.42 -0.69 0.03 0.00 -1.16 0.00 0.00 33.47 31.23 3hfa s TRP 429 CO 0.55 0.08 0.04 1.21 -4.06 0.00 0.00 176.95 174.77 3hfa s ASN 430 N -2.10 0.69 -0.38 -2.66 2.47 -0.09 -4.98 114.94 107.89 3hfa s ASN 430 Ca 0.03 0.04 -0.29 0.00 0.42 0.00 0.00 52.86 53.06 3hfa s ASN 430 Cb -0.07 -0.15 0.02 0.00 -1.45 0.00 0.00 41.25 39.60 3hfa s ASN 430 CO 0.02 -0.18 1.12 -0.63 -3.72 0.00 0.00 177.10 173.71 3hfa s ILE 431 N 1.60 4.36 0.22 -5.21 1.01 -1.26 -1.26 121.20 120.66 3hfa s ILE 431 Ca -0.02 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 3hfa s ILE 431 Cb -0.13 -4.46 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 3hfa s ILE 431 CO -0.03 -0.68 1.40 -0.70 0.00 0.00 0.00 174.94 174.93 3hfa s GLU 432 N 4.00 4.31 0.00 2.79 2.56 0.46 -4.93 118.70 127.89 3hfa s GLU 432 Ca 0.47 2.20 0.07 0.00 0.00 0.00 0.00 54.97 57.72 3hfa s GLU 432 Cb -0.11 -3.15 0.01 0.00 2.00 0.00 0.00 34.13 32.88 3hfa s GLU 432 CO 0.22 -0.37 0.56 0.39 -0.56 0.00 0.00 175.26 175.50 3hfa n GLU 433 N 2.64 1.82 -0.18 4.30 1.02 -1.26 -4.63 120.64 124.35 3hfa n GLU 433 Ca 0.07 -0.59 0.11 0.00 -0.02 0.00 0.00 57.16 56.74 3hfa n GLU 433 Cb 0.41 -1.02 0.20 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.17 2.42 0.00 3.49 1.02 -1.26 -4.98 120.64 121.16 3hfa n GLU 434 Ca 0.03 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 3hfa n GLU 434 Cb 0.15 -1.48 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 1.39 3.31 3.55 0.62 0.00 -1.26 -5.02 105.19 107.77 3hfa n GLY 435 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3hfa n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hfa s TYR 436 N -2.85 -0.15 0.16 1.61 -0.85 -1.26 -0.40 117.35 113.61 3hfa s TYR 436 Ca 0.00 -0.20 -0.24 0.00 -0.52 0.00 0.00 57.07 56.12 3hfa s TYR 436 Cb 0.00 0.43 0.06 0.00 0.38 0.00 0.00 41.96 42.83 3hfa s TYR 436 CO 0.00 -0.94 0.71 -1.14 -1.52 0.00 0.00 175.55 172.66 3hfa s GLN 437 N -3.87 1.33 -0.01 -3.49 2.00 -0.29 -4.96 119.66 110.36 3hfa s GLN 437 Ca 0.09 -0.59 -0.22 0.00 -2.00 0.00 0.00 55.36 52.63 3hfa s GLN 437 Cb -0.01 0.54 0.05 0.00 0.80 0.00 0.00 33.01 34.38 3hfa s GLN 437 CO -0.02 -0.59 0.49 0.00 -0.50 0.00 0.00 175.29 174.66 3hfa s ALA 438 N -3.64 -1.24 0.06 1.58 0.00 -1.26 -1.26 121.76 115.99 3hfa s ALA 438 Ca 0.05 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3hfa s ALA 438 Cb -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3hfa s ALA 438 CO -0.06 -0.36 -0.07 0.54 0.00 0.00 0.00 175.76 175.81 3hfa s VAL 439 N -1.59 0.55 0.00 0.00 0.11 -0.19 -4.87 120.40 114.40 3hfa s VAL 439 Ca -0.10 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 3hfa s VAL 439 Cb -0.02 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3hfa s VAL 439 CO 0.05 -0.58 0.00 0.61 -3.33 0.00 0.00 175.10 171.85 3hfa n GLY 440 N 0.91 1.17 0.34 6.54 0.00 -1.26 -1.11 105.19 111.78 3hfa n GLY 440 Ca -0.19 -2.21 0.20 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.34 1.61 4.64 -1.19 -1.71 113.55 116.56 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 -1.16 2.89 0.29 -0.77 0.00 -1.13 -4.73 105.19 100.58 3hfa n GLY 442 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 2.02 0.58 -0.17 1.61 4.64 -1.54 -1.45 113.55 119.23 3hfa h SER 443 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3hfa h SER 443 Cb 0.80 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3hfa h SER 443 CO 0.02 0.56 0.11 -0.07 -0.87 0.00 0.00 176.83 176.59 3hfa h LEU 444 N 0.63 0.20 -0.68 5.97 4.07 -1.85 -0.25 115.31 123.39 3hfa h LEU 444 Ca 0.15 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 444 Cb 0.19 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3hfa h LEU 444 CO -0.01 0.15 0.21 -0.26 -1.08 0.00 0.00 178.44 177.46 3hfa h PHE 445 N 0.22 1.10 -0.76 1.13 0.04 -1.77 -0.75 116.94 116.14 3hfa h PHE 445 Ca 0.06 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 3hfa h PHE 445 Cb -0.02 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 3hfa h PHE 445 CO -0.06 0.88 0.28 0.00 -0.60 0.00 0.00 178.31 178.80 3hfa h ALA 446 N 1.09 0.99 -0.06 2.45 0.00 -1.10 -1.92 119.26 120.71 3hfa h ALA 446 Ca 0.22 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3hfa h ALA 446 Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 446 CO -0.01 0.64 -0.80 0.87 0.00 0.00 0.00 179.25 179.96 3hfa h LYS 447 N 1.11 0.44 0.00 0.00 1.57 -0.69 -0.80 116.57 118.20 3hfa h LYS 447 Ca 0.25 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3hfa h LYS 447 Cb 0.25 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3hfa h LYS 447 CO -0.02 1.03 -0.38 0.77 -0.57 0.00 0.00 179.45 180.29 3hfa h SER 448 N 0.29 0.00 -0.03 0.86 0.02 -1.02 0.15 113.55 113.82 3hfa h SER 448 Ca -0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3hfa h SER 448 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3hfa h SER 448 CO 0.14 0.38 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.76 3hfa h SER 449 N 0.00 0.20 -0.56 3.07 0.87 -1.14 -3.23 113.55 112.76 3hfa h SER 449 Ca -0.00 -0.66 -0.02 0.00 -1.23 0.00 0.00 61.79 59.88 3hfa h SER 449 Cb 0.69 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3hfa h SER 449 CO 0.05 0.83 0.28 0.24 -0.53 0.00 0.00 176.83 177.70 3hfa h MET 450 N -0.41 0.83 -1.00 2.24 2.07 -0.96 -1.54 114.93 116.16 3hfa h MET 450 Ca -0.01 -0.10 0.24 0.00 -2.07 0.00 0.00 59.70 57.75 3hfa h MET 450 Cb 0.82 -0.16 -0.12 0.00 -1.87 0.00 0.00 31.60 30.27 3hfa h MET 450 CO 0.03 0.64 0.59 -0.22 1.07 0.00 0.00 176.91 179.03 3hfa h LYS 451 N 0.83 0.58 0.00 1.72 3.64 -0.99 0.36 116.57 122.70 3hfa h LYS 451 Ca 0.21 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 3hfa h LYS 451 Cb 0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hfa h LYS 451 CO -0.03 0.38 -1.26 0.87 -2.27 0.00 0.00 179.45 177.14 3hfa h LYS 452 N 0.59 0.00 0.00 1.90 1.79 -1.33 -3.39 116.57 116.13 3hfa h LYS 452 Ca 0.64 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 3hfa h LYS 452 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3hfa h LYS 452 CO -0.47 0.50 -1.68 1.28 -1.08 0.00 0.00 179.45 178.00 3hfa n LEU 453 N -3.07 0.30 0.27 2.94 4.77 -0.58 -4.52 117.00 117.10 3hfa n LEU 453 Ca -0.08 -0.11 0.10 0.00 -0.03 0.00 0.00 56.01 55.89 3hfa n LEU 453 Cb 0.90 -0.01 0.72 0.00 -2.33 0.00 0.00 43.42 42.70 3hfa n LEU 453 CO 0.44 0.06 1.08 0.22 -1.33 0.00 0.00 177.39 177.85 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.53 -0.32 116.97 117.56 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 0.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3hfa h TYR 454 CO 0.00 0.01 0.00 0.66 -1.64 0.00 0.00 178.16 177.19 3hfa h SER 455 N 0.00 0.00 0.50 -2.11 4.64 -1.83 -1.25 113.55 113.50 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 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hfa h SER 455 CO 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 3hfa n GLN 456 N -2.82 0.49 -2.75 4.77 6.02 -0.13 -4.81 117.38 118.15 3hfa n GLN 456 Ca -0.01 -0.13 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 3hfa n GLN 456 Cb 0.14 -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 -2.61 4.59 0.00 5.09 1.01 -0.47 -4.80 120.40 123.21 3hfa s VAL 457 Ca 0.25 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.71 3hfa s VAL 457 Cb 0.20 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3hfa s VAL 457 CO 0.50 -0.45 0.01 0.35 0.00 0.00 0.00 175.10 175.51 3hfa n THR 458 N 5.83 0.00 -3.82 3.92 -2.24 -1.26 -4.86 114.28 111.85 3hfa n THR 458 Ca 0.09 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 3hfa n THR 458 Cb 0.48 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.38 -0.03 0.33 3.42 1.47 -1.26 -4.56 116.67 115.66 3hfa s ASP 459 Ca 0.00 -1.01 0.03 0.00 1.18 0.00 0.00 52.55 52.76 3hfa s ASP 459 Cb 0.00 0.78 0.63 0.00 -0.34 0.00 0.00 42.92 44.00 3hfa s ASP 459 CO 0.00 -1.54 1.94 1.23 0.68 0.00 0.00 175.17 177.48 3hfa h GLY 460 N 2.00 1.11 0.67 2.12 0.00 -1.93 0.80 103.07 107.83 3hfa h GLY 460 Ca -0.30 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 3hfa h GLY 460 CO 0.38 0.27 -0.00 -1.80 0.00 0.00 0.00 176.54 175.39 3hfa h ASP 461 N 0.89 -0.01 0.22 0.19 1.82 -1.99 -0.14 116.42 117.40 3hfa h ASP 461 Ca 0.34 -0.33 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 3hfa h ASP 461 Cb 0.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 3hfa h ASP 461 CO -0.11 0.32 -0.43 0.77 -1.61 0.00 0.00 179.24 178.18 3hfa h SER 462 N -0.35 0.29 -0.66 2.28 4.64 -1.85 -1.75 113.55 116.15 3hfa h SER 462 Ca -0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hfa h SER 462 Cb 0.34 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3hfa h SER 462 CO 0.00 0.69 0.41 1.23 -0.87 0.00 0.00 176.83 178.29 3hfa h GLY 463 N 1.23 0.95 0.98 -0.77 0.00 -0.69 -0.94 103.07 103.83 3hfa h GLY 463 Ca 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3hfa h GLY 463 CO 0.07 0.37 0.12 -2.00 0.00 0.00 0.00 176.54 175.10 3hfa h LEU 464 N 0.89 0.78 -0.39 3.11 5.85 -0.70 -1.79 115.31 123.07 3hfa h LEU 464 Ca 0.24 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hfa h LEU 464 Cb -0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3hfa h LEU 464 CO -0.05 0.81 0.25 -0.09 -0.34 0.00 0.00 178.44 179.02 3hfa h ARG 465 N 0.71 0.52 -0.71 1.25 2.43 -1.00 -1.10 114.38 116.48 3hfa h ARG 465 Ca 0.16 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3hfa h ARG 465 Cb 0.34 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3hfa h ARG 465 CO 0.00 0.36 0.18 0.28 -1.51 0.00 0.00 179.97 179.28 3hfa h VAL 466 N 0.52 1.26 -0.38 0.20 2.07 -1.04 -0.03 116.25 118.85 3hfa h VAL 466 Ca 0.14 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hfa h VAL 466 Cb -0.03 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hfa h VAL 466 CO -0.03 0.37 0.23 0.00 0.02 0.00 0.00 177.57 178.16 3hfa h ALA 467 N 1.11 0.49 -0.62 1.67 0.00 -1.04 0.10 119.26 120.97 3hfa h ALA 467 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 467 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hfa h ALA 467 CO 0.00 -0.02 0.12 0.28 0.00 0.00 0.00 179.25 179.63 3hfa h VAL 468 N 0.50 1.25 -0.17 0.00 2.07 -0.94 -1.90 116.25 117.05 3hfa h VAL 468 Ca 0.14 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 3hfa h VAL 468 Cb 0.00 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3hfa h VAL 468 CO -0.03 0.36 -0.46 -0.08 0.02 0.00 0.00 177.57 177.38 3hfa h GLU 469 N 0.95 0.44 -0.51 1.57 4.81 -0.62 0.48 114.58 121.69 3hfa h GLU 469 Ca 0.20 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3hfa h GLU 469 Cb 0.38 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3hfa h GLU 469 CO 0.01 0.81 0.14 0.00 -0.73 0.00 0.00 179.01 179.24 3hfa h ALA 470 N 1.16 0.68 -0.69 2.92 0.00 -0.57 0.32 119.26 123.07 3hfa h ALA 470 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hfa h ALA 470 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hfa h ALA 470 CO 0.08 0.35 0.45 -0.07 0.00 0.00 0.00 179.25 180.06 3hfa h LEU 471 N 0.71 0.81 -0.23 0.00 4.07 -1.11 0.03 115.31 119.59 3hfa h LEU 471 Ca 0.16 -0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.12 3hfa h LEU 471 Cb 0.31 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3hfa h LEU 471 CO -0.00 0.60 0.02 0.22 -1.08 0.00 0.00 178.44 178.20 3hfa h TYR 472 N 0.94 0.02 -0.70 1.13 3.20 -0.36 -0.41 116.97 120.79 3hfa h TYR 472 Ca 0.25 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3hfa h TYR 472 Cb -0.09 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3hfa h TYR 472 CO -0.02 -0.01 0.34 -0.44 -1.64 0.00 0.00 178.16 176.39 3hfa h ASP 473 N 0.09 0.89 -0.39 -2.11 3.32 -0.65 -0.58 116.42 116.99 3hfa h ASP 473 Ca 0.11 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hfa h ASP 473 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3hfa h ASP 473 CO -0.16 0.75 0.19 0.00 -1.72 0.00 0.00 179.24 178.30 3hfa h ALA 474 N 1.39 0.50 -0.25 3.45 0.00 -0.53 -2.52 119.26 121.30 3hfa h ALA 474 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hfa h ALA 474 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 474 CO -0.03 0.05 -0.15 0.00 0.00 0.00 0.00 179.25 179.12 3hfa h ALA 475 N 1.04 1.28 -0.22 0.00 0.00 -0.69 0.12 119.26 120.80 3hfa h ALA 475 Ca 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hfa h ALA 475 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hfa h ALA 475 CO -0.02 0.48 -0.00 0.22 0.00 0.00 0.00 179.25 179.92 3hfa h ASP 476 N 0.40 0.29 0.00 0.00 3.58 -0.73 -3.25 116.42 116.71 3hfa h ASP 476 Ca 0.07 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3hfa h ASP 476 Cb 0.50 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3hfa h ASP 476 CO 0.03 0.35 -0.68 0.47 -2.88 0.00 0.00 179.24 176.52 3hfa n ASP 477 N -4.36 1.12 -3.98 2.28 8.00 -0.98 -4.93 116.55 113.70 3hfa n ASP 477 Ca 0.00 -0.51 -0.30 0.00 0.71 0.00 0.00 54.79 54.69 3hfa n ASP 477 Cb 0.19 1.11 -0.16 0.00 -0.02 0.00 0.00 41.12 42.25 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 -2.15 3.19 0.30 -2.24 2.15 0.39 -5.00 116.67 113.32 3hfa s ASP 478 Ca 0.01 -0.79 0.25 0.00 0.43 0.00 0.00 52.55 52.45 3hfa s ASP 478 Cb 0.06 -1.18 1.06 0.00 -0.30 0.00 0.00 42.92 42.56 3hfa s ASP 478 CO 0.36 -0.14 1.75 0.77 -0.17 0.00 0.00 175.17 177.74 3hfa h SER 479 N 8.01 0.00 0.11 -0.34 4.64 -1.86 -2.03 113.55 122.08 3hfa h SER 479 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3hfa h SER 479 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3hfa h SER 479 CO 0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.35 3hfa n ALA 480 N -1.81 2.75 -2.77 5.18 0.00 -1.26 -4.78 120.51 117.81 3hfa n ALA 480 Ca 0.02 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 3hfa n ALA 480 Cb 0.22 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 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 3.44 -0.06 0.00 2.01 -0.77 -0.85 115.64 117.21 3hfa s THR 481 Ca 0.34 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 3hfa s THR 481 Cb 0.20 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 3hfa s THR 481 CO 0.41 0.56 0.38 -0.83 -0.69 0.00 0.00 174.62 174.44 3hfa s GLY 482 N -0.25 2.39 0.79 4.40 0.00 -1.26 -4.50 107.32 108.88 3hfa s GLY 482 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.39 3hfa s GLY 482 CO 0.03 0.27 1.09 -0.32 0.00 0.00 0.00 173.10 174.17 3hfa s GLY 483 N -0.47 1.76 0.22 0.20 0.00 -1.26 -4.55 107.32 103.22 3hfa s GLY 483 Ca 0.22 -1.46 -0.32 0.00 0.00 0.00 0.00 44.72 43.16 3hfa s GLY 483 CO 0.10 -0.86 1.64 -1.05 0.00 0.00 0.00 173.10 172.94 3hfa n PRO 484 N -3.12 2.59 -3.45 2.90 -0.02 -1.26 -4.90 135.00 127.74 3hfa n PRO 484 Ca 0.14 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 62.12 3hfa n PRO 484 Cb 0.60 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 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 0.88 5.92 0.30 2.55 -1.08 0.00 -4.93 116.67 120.32 3hfa s ASP 485 Ca 0.72 -1.86 0.15 0.00 -0.52 0.00 0.00 52.55 51.04 3hfa s ASP 485 Cb -0.55 -2.10 0.36 0.00 -1.46 0.00 0.00 42.92 39.18 3hfa s ASP 485 CO 0.39 -0.77 1.58 -0.07 0.52 0.00 0.00 175.17 176.82 3hfa h LEU 486 N 8.64 0.00 -0.16 -1.34 4.07 -1.93 0.26 115.31 124.85 3hfa h LEU 486 Ca -0.25 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.65 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 0.94 0.52 -0.13 0.58 -1.08 0.00 0.00 178.44 179.27 3hfa h VAL 487 N 0.00 1.33 0.00 1.22 2.07 -1.97 -3.25 116.25 115.65 3hfa h VAL 487 Ca -0.01 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3hfa h VAL 487 Cb 1.16 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3hfa h VAL 487 CO 0.07 0.37 -0.72 0.03 0.02 0.00 0.00 177.57 177.34 3hfa h ARG 488 N 0.02 0.00 -3.12 1.57 3.08 -1.98 -3.48 114.38 110.47 3hfa h ARG 488 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 3hfa h ARG 488 Cb 0.64 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.75 3hfa h ARG 488 CO 0.03 0.00 -0.28 0.41 -1.07 0.00 0.00 179.97 179.06 3hfa n GLY 489 N 1.22 0.27 3.34 0.04 0.00 0.82 -5.05 105.19 105.83 3hfa n GLY 489 Ca 0.02 -0.29 -0.33 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 2.79 0.22 -0.61 1.01 -0.62 -5.00 121.20 115.86 3hfa s ILE 490 Ca 0.14 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3hfa s ILE 490 Cb -0.06 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3hfa s ILE 490 CO 0.29 0.54 -0.04 -0.36 0.00 0.00 0.00 174.94 175.37 3hfa s PHE 491 N 0.28 1.58 0.74 3.97 0.08 -1.26 -0.82 117.98 122.54 3hfa s PHE 491 Ca -0.12 -0.84 -0.16 0.00 0.12 0.00 0.00 56.93 55.94 3hfa s PHE 491 Cb -0.16 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 3hfa s PHE 491 CO 0.06 0.06 0.83 -2.30 -0.10 0.00 0.00 175.22 173.77 3hfa n PRO 492 N -0.40 0.38 -4.00 0.24 -0.02 -1.26 -4.83 135.00 125.10 3hfa n PRO 492 Ca -0.06 0.18 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 3hfa n PRO 492 Cb 0.63 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.90 5.00 -0.02 3.45 -4.23 -0.73 -4.94 115.64 112.28 3hfa s THR 493 Ca 0.70 -0.94 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 3hfa s THR 493 Cb -0.34 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 69.90 3hfa s THR 493 CO 0.53 -0.18 0.27 0.00 -0.54 0.00 0.00 174.62 174.70 3hfa s ALA 494 N -1.85 -0.67 -0.02 3.99 0.00 -1.26 -1.23 121.76 120.72 3hfa s ALA 494 Ca 0.33 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.60 3hfa s ALA 494 Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3hfa s ALA 494 CO 0.27 -0.24 -0.20 0.08 0.00 0.00 0.00 175.76 175.67 3hfa s VAL 495 N -1.24 1.62 -0.07 0.00 1.01 0.75 -0.57 120.40 121.91 3hfa s VAL 495 Ca -0.13 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3hfa s VAL 495 Cb -0.06 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hfa s VAL 495 CO 0.03 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 3hfa s ILE 496 N -0.36 3.02 -0.07 2.22 1.01 -0.46 -0.84 121.20 125.71 3hfa s ILE 496 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3hfa s ILE 496 Cb -0.09 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3hfa s ILE 496 CO 0.00 0.58 -0.15 -0.63 0.00 0.00 0.00 174.94 174.74 3hfa s ILE 497 N -0.48 1.33 0.00 2.92 1.01 -0.21 -0.78 121.20 124.99 3hfa s ILE 497 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3hfa s ILE 497 Cb -0.12 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.16 3hfa s ILE 497 CO 0.02 0.40 0.00 -0.90 0.00 0.00 0.00 174.94 174.46 3hfa n ASP 498 N 3.76 0.00 -0.12 3.58 5.68 -0.92 -1.64 116.55 126.89 3hfa n ASP 498 Ca -0.22 -0.85 0.07 0.00 -0.50 0.00 0.00 54.79 53.29 3hfa n ASP 498 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 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 1.15 1.78 0.00 2.12 0.00 -1.96 0.38 119.26 122.73 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 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hfa h ALA 499 CO 0.00 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 3hfa n ASP 500 N -4.48 0.63 0.00 0.00 8.00 -1.26 -5.00 116.55 114.45 3hfa n ASP 500 Ca 0.09 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.25 3hfa n ASP 500 Cb 0.23 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.05 -0.91 3.71 0.44 0.00 0.13 -5.00 105.19 103.51 3hfa n GLY 501 Ca 0.02 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.67 3.38 0.03 4.61 0.00 0.15 -2.17 121.76 126.09 3hfa s ALA 502 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.06 3hfa s ALA 502 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3hfa s ALA 502 CO 0.00 -0.18 -0.10 0.14 0.00 0.00 0.00 175.76 175.62 3hfa s VAL 503 N 0.99 0.79 0.21 0.00 -7.23 0.04 -4.97 120.40 110.22 3hfa s VAL 503 Ca 0.36 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 3hfa s VAL 503 Cb -0.17 -0.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 3hfa s VAL 503 CO 0.16 -0.09 1.31 -1.81 -0.31 0.00 0.00 175.10 174.36 3hfa s ASP 504 N -1.07 6.90 0.02 4.85 1.01 -1.26 -1.35 116.67 125.76 3hfa s ASP 504 Ca -0.02 2.41 -0.30 0.00 0.71 0.00 0.00 52.55 55.35 3hfa s ASP 504 Cb -0.07 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.01 -0.52 0.97 -0.69 0.21 0.00 0.00 175.17 175.15 3hfa s VAL 505 N 0.04 4.82 0.30 -1.27 1.01 0.26 -4.90 120.40 120.66 3hfa s VAL 505 Ca 0.56 2.06 -0.30 0.00 0.00 0.00 0.00 61.98 64.30 3hfa s VAL 505 Cb -0.36 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.58 3hfa s VAL 505 CO 0.39 0.18 1.60 -2.84 0.00 0.00 0.00 175.10 174.43 3hfa s PRO 506 N 0.86 4.11 0.31 2.72 0.02 -1.26 -4.63 135.00 137.13 3hfa s PRO 506 Ca 0.51 2.59 0.07 0.00 0.02 0.00 0.00 61.00 64.19 3hfa s PRO 506 Cb -0.21 -3.02 0.79 0.00 0.02 0.00 0.00 34.50 32.08 3hfa s PRO 506 CO 0.28 -0.64 1.75 1.49 -0.33 0.00 0.00 177.00 179.55 3hfa h GLU 507 N 4.73 0.63 -0.72 5.54 4.81 -1.94 -1.29 114.58 126.35 3hfa h GLU 507 Ca -0.47 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3hfa h GLU 507 Cb 1.22 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3hfa h GLU 507 CO 0.79 0.42 0.47 0.66 -0.73 0.00 0.00 179.01 180.62 3hfa h SER 508 N 0.65 0.67 0.20 1.04 4.64 -1.99 0.69 113.55 119.45 3hfa h SER 508 Ca 0.60 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.71 3hfa h SER 508 Cb 1.04 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3hfa h SER 508 CO -0.43 0.44 -0.84 -0.09 -0.87 0.00 0.00 176.83 175.03 3hfa h ARG 509 N 0.76 0.50 -0.37 4.77 2.43 -1.61 -2.01 114.38 118.86 3hfa h ARG 509 Ca 0.31 -0.46 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 3hfa h ARG 509 Cb 0.24 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hfa h ARG 509 CO -0.10 1.10 -0.35 0.82 -1.51 0.00 0.00 179.97 179.93 3hfa h ILE 510 N 0.32 1.28 -0.73 1.20 2.04 -1.24 -1.93 117.51 118.45 3hfa h ILE 510 Ca -0.06 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 3hfa h ILE 510 Cb 1.45 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 3hfa h ILE 510 CO 0.15 0.50 0.45 0.00 0.00 0.00 0.00 178.15 179.26 3hfa h ALA 511 N 0.89 0.92 -0.20 1.87 0.00 -0.80 0.86 119.26 122.80 3hfa h ALA 511 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 511 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hfa h ALA 511 CO 0.08 0.38 0.09 1.49 0.00 0.00 0.00 179.25 181.30 3hfa h GLU 512 N 0.99 0.30 -0.37 0.00 4.81 -1.21 -0.80 114.58 118.29 3hfa h GLU 512 Ca 0.26 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3hfa h GLU 512 Cb -0.06 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 3hfa h GLU 512 CO -0.05 0.33 0.09 -0.07 -0.73 0.00 0.00 179.01 178.58 3hfa h LEU 513 N 0.20 0.06 -0.55 1.64 4.07 -1.00 -1.47 115.31 118.25 3hfa h LEU 513 Ca 0.07 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.11 3hfa h LEU 513 Cb 0.13 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 3hfa h LEU 513 CO -0.01 0.07 0.32 0.00 -1.08 0.00 0.00 178.44 177.74 3hfa h ALA 514 N 1.27 0.71 -0.78 1.53 0.00 -0.53 -0.77 119.26 120.68 3hfa h ALA 514 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hfa h ALA 514 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 514 CO -0.21 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.37 3hfa h ARG 515 N 0.63 1.16 -0.39 0.00 3.08 -0.80 -0.37 114.38 117.69 3hfa h ARG 515 Ca 0.23 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hfa h ARG 515 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3hfa h ARG 515 CO -0.11 0.94 0.12 0.00 -1.07 0.00 0.00 179.97 179.85 3hfa h ALA 516 N 1.20 0.51 -0.17 0.04 0.00 -0.75 0.66 119.26 120.75 3hfa h ALA 516 Ca 0.26 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 516 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hfa h ALA 516 CO -0.02 0.15 0.09 0.82 0.00 0.00 0.00 179.25 180.29 3hfa h ILE 517 N 0.48 1.00 -0.01 0.00 2.04 -0.77 0.30 117.51 120.55 3hfa h ILE 517 Ca 0.12 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3hfa h ILE 517 Cb 0.26 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3hfa h ILE 517 CO -0.00 0.03 -0.07 0.40 0.00 0.00 0.00 178.15 178.51 3hfa h ILE 518 N 0.18 0.83 -0.70 -0.67 2.04 -0.92 -2.02 117.51 116.25 3hfa h ILE 518 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3hfa h ILE 518 Cb 0.01 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3hfa h ILE 518 CO -0.04 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 178.22 3hfa h GLU 519 N -0.11 0.84 -0.41 2.37 5.08 -0.69 -2.08 114.58 119.57 3hfa h GLU 519 Ca 0.03 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3hfa h GLU 519 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3hfa h GLU 519 CO -0.08 0.55 0.27 1.03 -1.00 0.00 0.00 179.01 179.79 3hfa h SER 520 N 0.86 0.35 0.31 1.42 0.87 -0.62 -2.29 113.55 114.46 3hfa h SER 520 Ca 0.28 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3hfa h SER 520 Cb 0.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3hfa h SER 520 CO -0.11 0.24 -0.51 0.54 -0.53 0.00 0.00 176.83 176.46 3hfa n ARG 521 N -4.48 0.32 0.00 2.24 1.74 -0.79 -5.09 116.66 110.59 3hfa n ARG 521 Ca 0.04 -0.21 0.16 0.00 -0.77 0.00 0.00 57.85 57.07 3hfa n ARG 521 Cb 0.18 -1.50 0.87 0.00 -1.02 0.00 0.00 32.46 30.99 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54