#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 0.35 -0.07 12.58 2.01 -1.26 -0.60 115.64 128.65 3hfa s THR 302 Ca 0.00 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3hfa s THR 302 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.18 3hfa s THR 302 CO 0.00 0.14 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.32 3hfa s ILE 303 N 0.35 1.12 0.16 1.82 1.01 -0.42 -2.27 121.20 122.98 3hfa s ILE 303 Ca -0.04 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 60.26 3hfa s ILE 303 Cb -0.07 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3hfa s ILE 303 CO -0.00 0.36 -0.24 0.68 0.00 0.00 0.00 174.94 175.73 3hfa s VAL 304 N 0.76 2.24 -0.06 2.92 -7.23 0.08 -0.99 120.40 118.12 3hfa s VAL 304 Ca -0.13 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 3hfa s VAL 304 Cb -0.15 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.78 3hfa s VAL 304 CO 0.03 -0.05 0.19 0.00 -0.31 0.00 0.00 175.10 174.96 3hfa s ALA 305 N -1.44 -0.47 -0.01 1.32 0.00 -0.42 -1.03 121.76 119.71 3hfa s ALA 305 Ca 0.17 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 3hfa s ALA 305 Cb -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3hfa s ALA 305 CO 0.08 -0.12 0.25 -0.48 0.00 0.00 0.00 175.76 175.49 3hfa s LEU 306 N -0.16 1.09 0.05 0.00 0.05 -0.38 -1.00 118.68 118.32 3hfa s LEU 306 Ca -0.03 -0.03 -0.20 0.00 0.05 0.00 0.00 54.13 53.93 3hfa s LEU 306 Cb -0.02 1.07 -0.06 0.00 -2.05 0.00 0.00 46.19 45.13 3hfa s LEU 306 CO 0.01 -0.43 0.59 -0.54 -0.55 0.00 0.00 176.35 175.43 3hfa s LYS 307 N -1.40 4.27 0.29 1.48 1.02 0.39 -0.96 119.74 124.83 3hfa s LYS 307 Ca -0.14 0.77 0.04 0.00 0.02 0.00 0.00 55.97 56.67 3hfa s LYS 307 Cb -0.06 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 3hfa s LYS 307 CO 0.03 0.53 0.01 1.52 -0.92 0.00 0.00 175.35 176.52 3hfa s TYR 308 N -0.77 1.85 -0.19 3.18 -0.85 -0.60 -4.94 117.35 115.04 3hfa s TYR 308 Ca 0.30 -0.88 -0.28 0.00 -0.52 0.00 0.00 57.07 55.69 3hfa s TYR 308 Cb -0.19 -1.13 -0.06 0.00 0.38 0.00 0.00 41.96 40.96 3hfa s TYR 308 CO 0.19 0.07 2.20 -2.30 -1.52 0.00 0.00 175.55 174.18 3hfa n PRO 309 N -0.58 2.06 0.00 -3.49 -0.02 -1.26 -1.39 135.00 130.32 3hfa n PRO 309 Ca -0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3hfa n PRO 309 Cb 0.65 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 3hfa n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfa n GLY 310 N 5.63 0.26 0.00 -1.23 0.00 0.14 -4.72 105.19 105.26 3hfa n GLY 310 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3hfa n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 311 N -1.75 1.46 3.04 -0.02 0.00 -0.49 -4.17 105.19 103.27 3hfa n GLY 311 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.37 0.10 -0.00 1.61 0.11 -0.33 -1.56 120.40 117.96 3hfa s VAL 312 Ca 0.00 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 3hfa s VAL 312 Cb 0.00 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3hfa s VAL 312 CO 0.00 -0.48 -0.17 0.54 -3.33 0.00 0.00 175.10 171.66 3hfa s VAL 313 N -1.60 1.34 -0.04 2.04 0.11 -0.13 -0.94 120.40 121.18 3hfa s VAL 313 Ca -0.14 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3hfa s VAL 313 Cb -0.08 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3hfa s VAL 313 CO -0.01 0.31 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.65 3hfa s MET 314 N -0.57 1.30 0.03 1.54 1.75 -0.14 -1.25 119.30 121.97 3hfa s MET 314 Ca 0.06 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 3hfa s MET 314 Cb -0.07 -1.16 -0.02 0.00 2.84 0.00 0.00 34.83 36.43 3hfa s MET 314 CO -0.00 0.11 -0.07 0.00 -0.65 0.00 0.00 175.02 174.41 3hfa s ALA 315 N 0.33 0.50 0.02 4.11 0.00 -0.20 -0.25 121.76 126.28 3hfa s ALA 315 Ca -0.07 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 3hfa s ALA 315 Cb -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3hfa s ALA 315 CO 0.02 -0.01 -0.03 0.20 0.00 0.00 0.00 175.76 175.94 3hfa s GLY 316 N -1.28 0.26 1.04 0.00 0.00 -0.33 -0.74 107.32 106.26 3hfa s GLY 316 Ca -0.08 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 3hfa s GLY 316 CO 0.00 -0.71 1.30 0.51 0.00 0.00 0.00 173.10 174.21 3hfa s ASP 317 N -1.57 2.42 -0.08 1.64 -4.77 -0.96 -1.75 116.67 111.60 3hfa s ASP 317 Ca -0.14 0.24 0.11 0.00 -3.30 0.00 0.00 52.55 49.46 3hfa s ASP 317 Cb -0.09 -0.23 0.17 0.00 -1.09 0.00 0.00 42.92 41.68 3hfa s ASP 317 CO -0.02 -3.17 1.07 0.54 0.70 0.00 0.00 175.17 174.30 3hfa n ARG 318 N -4.05 1.61 -3.49 2.11 5.12 -1.26 -4.49 116.66 112.20 3hfa n ARG 318 Ca 0.16 -2.05 -0.34 0.00 -1.93 0.00 0.00 57.85 53.69 3hfa n ARG 318 Cb 0.59 -1.23 -0.05 0.00 -1.16 0.00 0.00 32.46 30.61 3hfa n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hfa s ARG 319 N -1.98 3.83 0.03 5.56 3.52 -1.26 -1.67 118.95 126.97 3hfa s ARG 319 Ca 0.19 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.10 3hfa s ARG 319 Cb 0.16 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 3hfa s ARG 319 CO 0.02 0.49 -0.12 -1.54 -0.81 0.00 0.00 175.30 173.34 3hfa s SER 320 N -1.88 1.37 0.09 -2.12 1.04 -0.69 -4.70 113.70 106.82 3hfa s SER 320 Ca 0.37 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.49 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 0.02 -0.18 0.42 0.98 0.00 0.00 173.24 174.67 3hfa s THR 321 N -0.74 1.48 -0.44 2.02 -4.23 -1.26 -0.05 115.64 112.42 3hfa s THR 321 Ca 0.00 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3hfa s THR 321 Cb -0.07 -1.39 0.12 0.00 1.34 0.00 0.00 72.50 72.50 3hfa s THR 321 CO 0.01 -0.15 0.18 -1.58 -0.54 0.00 0.00 174.62 172.54 3hfa s GLN 322 N -1.92 1.80 7.91 3.99 0.74 0.26 -4.84 119.66 127.60 3hfa s GLN 322 Ca 0.04 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.19 3hfa s GLN 322 Cb -0.10 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.70 3hfa s GLN 322 CO 0.04 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3hfa n GLY 323 N 3.70 3.34 0.12 2.59 0.00 -1.26 -2.28 105.19 111.40 3hfa n GLY 323 Ca 0.04 -0.14 0.07 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 -3.67 1.61 2.35 -2.02 -3.47 115.58 110.38 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 0.24 0.49 -0.04 -1.65 0.00 0.00 177.43 176.47 3hfa s MET 325 N -3.16 4.59 -0.28 0.81 -1.94 -0.97 -4.99 119.30 113.37 3hfa s MET 325 Ca -0.00 1.79 -0.29 0.00 -1.71 0.00 0.00 55.69 55.48 3hfa s MET 325 Cb 0.09 -3.23 0.01 0.00 2.01 0.00 0.00 34.83 33.71 3hfa s MET 325 CO 0.78 0.11 1.13 0.42 -0.01 0.00 0.00 175.02 177.45 3hfa s ILE 326 N -0.65 4.45 -0.89 2.53 1.01 -1.26 -0.58 121.20 125.81 3hfa s ILE 326 Ca 0.48 1.69 0.13 0.00 0.00 0.00 0.00 60.65 62.95 3hfa s ILE 326 Cb -0.31 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 37.79 3hfa s ILE 326 CO 0.38 -0.37 0.64 -1.54 0.00 0.00 0.00 174.94 174.05 3hfa n SER 327 N 6.86 0.99 -3.57 3.58 3.41 0.92 -4.91 113.62 120.91 3hfa n SER 327 Ca 0.13 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.61 3hfa n SER 327 Cb 0.46 0.75 -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 -1.95 -0.39 0.00 5.00 0.00 -0.95 -4.91 107.32 104.12 3hfa s GLY 328 Ca 0.08 1.88 0.00 0.00 0.00 0.00 0.00 44.72 46.68 3hfa s GLY 328 CO 0.44 1.22 0.19 0.54 0.00 0.00 0.00 173.10 175.48 3hfa n ARG 329 N 1.26 2.24 -1.29 2.90 1.74 -1.24 -1.70 116.66 120.56 3hfa n ARG 329 Ca -0.14 -0.19 0.04 0.00 -0.77 0.00 0.00 57.85 56.79 3hfa n ARG 329 Cb 0.57 -0.62 0.08 0.00 -1.02 0.00 0.00 32.46 31.47 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 -0.37 1.32 -4.72 0.55 5.68 -1.01 -4.65 116.55 113.36 3hfa n ASP 330 Ca 0.00 -2.63 -0.42 0.00 -0.50 0.00 0.00 54.79 51.25 3hfa n ASP 330 Cb 0.03 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 3hfa n ASP 330 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hfa s VAL 331 N -1.26 3.17 -0.28 2.12 1.01 -0.67 -4.99 120.40 119.50 3hfa s VAL 331 Ca 0.35 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 3hfa s VAL 331 Cb 0.38 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3hfa s VAL 331 CO -0.13 0.07 0.18 -0.13 0.00 0.00 0.00 175.10 175.09 3hfa s ARG 332 N 0.96 3.84 0.00 2.72 0.52 -1.26 -4.14 118.95 121.60 3hfa s ARG 332 Ca 0.65 -0.39 0.10 0.00 -0.52 0.00 0.00 55.73 55.57 3hfa s ARG 332 Cb -0.38 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 3hfa s ARG 332 CO 0.31 -0.22 0.59 1.63 0.02 0.00 0.00 175.30 177.64 3hfa n LYS 333 N 5.05 2.42 -3.73 3.54 5.02 -1.26 -4.93 118.16 124.26 3hfa n LYS 333 Ca -0.14 -0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 55.28 3hfa n LYS 333 Cb 0.52 -1.06 -0.12 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.49 4.02 0.00 -0.18 1.01 -1.26 -2.78 120.40 119.72 3hfa s VAL 334 Ca 0.07 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3hfa s VAL 334 Cb 0.08 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3hfa s VAL 334 CO 0.29 -0.04 -0.09 -0.31 0.00 0.00 0.00 175.10 174.95 3hfa s TYR 335 N 1.48 2.84 -0.36 5.22 2.02 -0.40 -4.94 117.35 123.21 3hfa s TYR 335 Ca 0.01 -0.07 -0.22 0.00 -0.37 0.00 0.00 57.07 56.42 3hfa s TYR 335 Cb -0.18 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3hfa s TYR 335 CO 0.03 0.35 0.74 0.42 -1.57 0.00 0.00 175.55 175.52 3hfa s ILE 336 N -0.97 4.78 -0.04 2.71 1.01 -1.26 0.41 121.20 127.84 3hfa s ILE 336 Ca 0.16 0.78 -0.22 0.00 0.00 0.00 0.00 60.65 61.38 3hfa s ILE 336 Cb -0.11 -4.17 -0.31 0.00 0.01 0.00 0.00 42.46 37.88 3hfa s ILE 336 CO 0.07 -0.41 0.92 0.71 0.00 0.00 0.00 174.94 176.23 3hfa h THR 337 N 5.74 1.51 -2.25 2.92 1.35 -1.66 -3.48 112.91 117.03 3hfa h THR 337 Ca -0.25 -2.49 -0.03 0.00 -0.55 0.00 0.00 66.41 63.09 3hfa h THR 337 Cb 1.10 3.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.65 3hfa h THR 337 CO 0.89 0.71 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.95 3hfa n ASP 338 N -4.14 -0.19 0.27 5.36 5.68 -1.18 -4.60 116.55 117.74 3hfa n ASP 338 Ca -0.13 -1.25 0.17 0.00 -0.50 0.00 0.00 54.79 53.08 3hfa n ASP 338 Cb 0.80 0.36 0.92 0.00 -1.14 0.00 0.00 41.12 42.07 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 0.26 0.00 0.00 -1.12 3.32 -1.94 -3.03 116.42 113.92 3hfa h ASP 339 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hfa h ASP 339 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3hfa h ASP 339 CO 0.05 0.00 -0.23 -1.22 -1.72 0.00 0.00 179.24 176.12 3hfa n TYR 340 N -3.64 0.00 -3.98 4.55 4.01 -1.26 0.29 117.16 117.13 3hfa n TYR 340 Ca -0.01 -0.38 -0.09 0.00 -0.16 0.00 0.00 57.90 57.26 3hfa n TYR 340 Cb 0.20 -0.08 -0.10 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 -1.07 0.14 0.01 -0.72 -4.23 -1.14 -1.26 115.64 107.36 3hfa s THR 341 Ca 0.11 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3hfa s THR 341 Cb 0.10 -0.74 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 3hfa s THR 341 CO 0.01 -0.63 -0.01 0.00 -0.54 0.00 0.00 174.62 173.45 3hfa s ALA 342 N -2.33 0.06 -0.09 3.99 0.00 0.34 -1.70 121.76 122.03 3hfa s ALA 342 Ca -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3hfa s ALA 342 Cb -0.03 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3hfa s ALA 342 CO -0.04 -0.07 -0.10 0.99 0.00 0.00 0.00 175.76 176.54 3hfa s THR 343 N -0.67 1.10 -0.12 0.00 2.01 0.17 -1.37 115.64 116.76 3hfa s THR 343 Ca -0.07 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 3hfa s THR 343 Cb -0.05 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 3hfa s THR 343 CO -0.00 0.37 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.39 3hfa s GLY 344 N 1.24 1.66 -0.06 4.40 0.00 -0.45 -1.28 107.32 112.83 3hfa s GLY 344 Ca -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3hfa s GLY 344 CO -0.03 -0.31 -0.12 -0.42 0.00 0.00 0.00 173.10 172.22 3hfa s ILE 345 N -0.04 1.13 -0.02 0.90 1.01 -1.12 0.48 121.20 123.55 3hfa s ILE 345 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3hfa s ILE 345 Cb -0.14 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3hfa s ILE 345 CO 0.03 0.35 -0.06 0.00 0.00 0.00 0.00 174.94 175.26 3hfa s ALA 346 N 0.65 3.03 0.00 9.38 0.00 -0.56 -4.94 121.76 129.32 3hfa s ALA 346 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3hfa s ALA 346 Cb -0.16 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3hfa s ALA 346 CO 0.04 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3hfa n GLY 347 N 1.74 0.50 3.70 0.00 0.00 -1.26 -0.67 105.19 109.19 3hfa n GLY 347 Ca -0.16 -2.26 -0.59 0.00 0.00 0.00 0.00 46.02 43.01 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 0.25 -0.09 2.61 -1.04 -0.10 -4.83 114.28 111.08 3hfa n THR 348 Ca 0.00 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3hfa n THR 348 Cb 0.00 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 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 7.12 0.14 -0.81 2.41 0.00 -1.96 -0.73 119.26 125.43 3hfa h ALA 349 Ca -0.45 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3hfa h ALA 349 Cb 1.33 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 3hfa h ALA 349 CO 0.97 -0.52 0.51 0.00 0.00 0.00 0.00 179.25 180.21 3hfa h ALA 350 N 1.21 1.09 -0.38 0.00 0.00 -2.00 -1.81 119.26 117.36 3hfa h ALA 350 Ca 0.17 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 350 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hfa h ALA 350 CO -0.39 0.28 -0.38 0.28 0.00 0.00 0.00 179.25 179.04 3hfa h VAL 351 N 0.96 1.27 -0.20 0.00 2.07 -1.76 -2.74 116.25 115.85 3hfa h VAL 351 Ca 0.34 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3hfa h VAL 351 Cb 0.09 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hfa h VAL 351 CO -0.14 0.52 0.12 0.00 0.02 0.00 0.00 177.57 178.09 3hfa h ALA 352 N 0.79 0.25 -0.49 1.67 0.00 -0.59 -0.62 119.26 120.27 3hfa h ALA 352 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 352 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hfa h ALA 352 CO 0.09 -0.28 0.03 0.28 0.00 0.00 0.00 179.25 179.37 3hfa h VAL 353 N 0.26 1.26 -0.23 0.00 2.07 -1.38 -2.20 116.25 116.03 3hfa h VAL 353 Ca 0.08 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.62 3hfa h VAL 353 Cb -0.02 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3hfa h VAL 353 CO -0.03 0.36 -0.09 -0.33 0.02 0.00 0.00 177.57 177.50 3hfa h GLU 354 N 0.71 -0.05 0.24 1.57 5.08 -1.25 -1.44 114.58 119.43 3hfa h GLU 354 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hfa h GLU 354 Cb 0.48 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3hfa h GLU 354 CO 0.02 -0.04 -0.44 0.74 -1.00 0.00 0.00 179.01 178.30 3hfa h PHE 355 N -0.06 -1.25 -0.89 4.33 0.04 -0.81 0.38 116.94 118.68 3hfa h PHE 355 Ca 0.12 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.00 3hfa h PHE 355 Cb 0.24 0.51 -0.06 0.00 2.20 0.00 0.00 35.95 38.84 3hfa h PHE 355 CO -0.27 -0.53 0.57 0.00 -0.60 0.00 0.00 178.31 177.48 3hfa h ALA 356 N -0.85 1.59 0.10 2.45 0.00 -1.33 0.16 119.26 121.39 3hfa h ALA 356 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 356 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hfa h ALA 356 CO -0.16 0.24 -0.05 -0.09 0.00 0.00 0.00 179.25 179.20 3hfa h ARG 357 N 0.93 -0.13 -0.80 0.00 2.43 -1.05 -2.77 114.38 112.99 3hfa h ARG 357 Ca 0.40 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 3hfa h ARG 357 Cb 0.32 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3hfa h ARG 357 CO -0.16 0.39 0.37 1.25 -1.51 0.00 0.00 179.97 180.31 3hfa h LEU 358 N -0.80 1.06 -0.47 3.80 5.85 -0.84 -2.16 115.31 121.74 3hfa h LEU 358 Ca -0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3hfa h LEU 358 Cb 0.58 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3hfa h LEU 358 CO 0.02 0.90 0.16 0.22 -0.34 0.00 0.00 178.44 179.41 3hfa h TYR 359 N 1.15 0.75 -0.74 1.25 3.20 -0.76 0.88 116.97 122.69 3hfa h TYR 359 Ca 0.27 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3hfa h TYR 359 Cb 0.14 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3hfa h TYR 359 CO 0.02 0.65 0.25 0.00 -1.64 0.00 0.00 178.16 177.44 3hfa h ALA 360 N 1.02 1.04 -0.34 1.82 0.00 -1.32 -1.17 119.26 120.31 3hfa h ALA 360 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hfa h ALA 360 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hfa h ALA 360 CO -0.01 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.30 3hfa h VAL 361 N 1.10 1.19 -0.71 0.00 2.07 -1.06 -2.58 116.25 116.25 3hfa h VAL 361 Ca 0.24 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3hfa h VAL 361 Cb 0.27 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hfa h VAL 361 CO -0.01 0.21 0.37 -0.08 0.02 0.00 0.00 177.57 178.08 3hfa h GLU 362 N 0.40 1.01 -0.03 1.57 4.81 -0.41 0.97 114.58 122.90 3hfa h GLU 362 Ca 0.11 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hfa h GLU 362 Cb 0.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3hfa h GLU 362 CO -0.01 0.77 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.89 3hfa h LEU 363 N 0.99 -0.26 -0.76 1.64 4.07 -1.13 -1.86 115.31 118.01 3hfa h LEU 363 Ca 0.25 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 58.12 3hfa h LEU 363 Cb 0.07 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3hfa h LEU 363 CO -0.04 -0.12 -0.58 -0.08 -1.08 0.00 0.00 178.44 176.54 3hfa h GLU 364 N -0.13 0.12 -0.38 1.13 4.81 -1.27 -2.43 114.58 116.43 3hfa h GLU 364 Ca 0.05 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3hfa h GLU 364 Cb 0.20 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3hfa h GLU 364 CO -0.11 0.67 0.17 1.25 -0.73 0.00 0.00 179.01 180.25 3hfa h HIS 365 N 0.09 0.31 -0.30 0.92 2.76 -0.59 -0.27 115.15 118.08 3hfa h HIS 365 Ca -0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.05 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 3hfa h HIS 365 CO 0.01 0.16 0.11 -0.92 -1.30 0.00 0.00 177.93 175.99 3hfa h TYR 366 N 0.36 0.45 -0.48 5.26 3.20 -1.11 -1.32 116.97 123.33 3hfa h TYR 366 Ca 0.16 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3hfa h TYR 366 Cb 0.09 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 3hfa h TYR 366 CO -0.11 0.45 0.20 1.49 -1.64 0.00 0.00 178.16 178.55 3hfa h GLU 367 N 0.33 0.39 -0.39 1.82 4.81 -1.04 0.18 114.58 120.68 3hfa h GLU 367 Ca 0.10 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 3hfa h GLU 367 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3hfa h GLU 367 CO -0.01 0.26 -0.25 0.87 -0.73 0.00 0.00 179.01 179.14 3hfa h LYS 368 N 0.40 0.80 -0.32 1.92 1.57 -0.89 0.27 116.57 120.32 3hfa h LYS 368 Ca 0.22 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3hfa h LYS 368 Cb 0.19 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hfa h LYS 368 CO -0.20 0.96 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.17 3hfa h LEU 369 N 0.69 0.90 -0.40 2.94 3.38 -0.87 -3.34 115.31 118.60 3hfa h LEU 369 Ca 0.09 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hfa h LEU 369 Cb 0.78 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hfa h LEU 369 CO 0.06 1.22 -0.51 -0.62 0.09 0.00 0.00 178.44 178.68 3hfa n GLU 370 N -4.12 2.01 -0.08 1.13 -0.58 0.02 -4.98 120.64 114.05 3hfa n GLU 370 Ca -0.04 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 3hfa n GLU 370 Cb 0.55 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 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 1.23 2.30 2.99 0.62 0.00 0.93 -4.98 105.19 108.28 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 -2.90 0.13 0.62 1.61 0.11 -1.20 -4.98 120.40 113.79 3hfa s VAL 372 Ca 0.00 -0.97 -0.15 0.00 -2.93 0.00 0.00 61.98 57.93 3hfa s VAL 372 Cb 0.00 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 3hfa s VAL 372 CO 0.00 -0.52 1.08 -2.84 -3.33 0.00 0.00 175.10 169.49 3hfa s PRO 373 N -1.60 3.10 0.52 1.54 0.02 -1.26 -3.99 135.00 133.33 3hfa s PRO 373 Ca -0.15 1.28 -0.21 0.00 0.02 0.00 0.00 61.00 61.94 3hfa s PRO 373 Cb -0.09 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3hfa s PRO 373 CO -0.01 -1.00 1.08 1.28 -0.33 0.00 0.00 177.00 178.02 3hfa n LEU 374 N -2.21 3.75 -4.64 -5.54 4.32 -1.26 -5.00 117.00 106.42 3hfa n LEU 374 Ca 0.09 0.93 -0.30 0.00 -0.02 0.00 0.00 56.01 56.72 3hfa n LEU 374 Cb 0.52 -1.43 0.18 0.00 -1.62 0.00 0.00 43.42 41.07 3hfa n LEU 374 CO 0.48 -1.39 0.63 0.42 -1.22 0.00 0.00 177.39 176.31 3hfa s THR 375 N -1.37 2.34 0.18 -5.08 -4.23 -1.26 -4.78 115.64 101.44 3hfa s THR 375 Ca 0.70 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.20 3hfa s THR 375 Cb -0.46 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.13 3hfa s THR 375 CO 0.51 -0.15 1.78 0.15 -0.54 0.00 0.00 174.62 176.38 3hfa h PHE 376 N -1.92 0.85 -0.81 3.99 3.57 -1.98 -1.05 116.94 119.59 3hfa h PHE 376 Ca -0.50 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.11 3hfa h PHE 376 Cb 1.29 -0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 3hfa h PHE 376 CO 0.42 0.63 0.39 0.00 -2.23 0.00 0.00 178.31 177.51 3hfa h ALA 377 N 1.15 1.19 -0.73 2.41 0.00 -2.00 -0.74 119.26 120.55 3hfa h ALA 377 Ca 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hfa h ALA 377 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 377 CO -0.03 -0.13 0.37 0.78 0.00 0.00 0.00 179.25 180.24 3hfa h GLY 378 N 0.56 1.10 1.00 0.00 0.00 -1.64 -1.40 103.07 102.69 3hfa h GLY 378 Ca 0.44 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hfa h GLY 378 CO -0.37 0.50 0.39 0.50 0.00 0.00 0.00 176.54 177.56 3hfa h LYS 379 N 1.01 0.95 -0.19 4.80 1.57 -0.09 -1.38 116.57 123.24 3hfa h LYS 379 Ca 0.25 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3hfa h LYS 379 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3hfa h LYS 379 CO -0.04 0.70 0.06 0.82 -0.57 0.00 0.00 179.45 180.43 3hfa h ILE 380 N 0.94 0.95 -0.50 1.86 2.04 -0.97 -2.44 117.51 119.39 3hfa h ILE 380 Ca 0.24 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3hfa h ILE 380 Cb 0.02 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hfa h ILE 380 CO -0.04 0.03 0.32 -1.13 0.00 0.00 0.00 178.15 177.33 3hfa h ASN 381 N 0.15 0.58 -0.71 1.72 -1.24 -0.86 -0.91 115.58 114.30 3hfa h ASN 381 Ca 0.08 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 3hfa h ASN 381 Cb 0.05 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 3hfa h ASN 381 CO -0.09 0.43 0.32 0.03 -1.29 0.00 0.00 177.43 176.82 3hfa h ARG 382 N 0.67 1.04 -0.50 6.67 2.47 -1.18 -0.29 114.38 123.27 3hfa h ARG 382 Ca 0.18 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3hfa h ARG 382 Cb -0.06 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.06 3hfa h ARG 382 CO -0.04 0.84 0.10 1.25 0.56 0.00 0.00 179.97 182.69 3hfa h LEU 383 N 1.00 0.77 -0.55 3.04 5.85 -1.13 -1.49 115.31 122.80 3hfa h LEU 383 Ca 0.24 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hfa h LEU 383 Cb 0.16 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hfa h LEU 383 CO -0.03 0.82 0.32 0.00 -0.34 0.00 0.00 178.44 179.21 3hfa h ALA 384 N 0.98 0.71 -0.61 1.25 0.00 -0.79 -0.84 119.26 119.96 3hfa h ALA 384 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 384 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 384 CO 0.01 0.21 0.30 0.82 0.00 0.00 0.00 179.25 180.59 3hfa h ILE 385 N 0.74 1.21 -0.63 0.00 2.04 -0.93 -0.49 117.51 119.45 3hfa h ILE 385 Ca 0.20 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3hfa h ILE 385 Cb 0.02 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3hfa h ILE 385 CO -0.03 0.24 0.41 -0.03 0.00 0.00 0.00 178.15 178.73 3hfa h MET 386 N 0.83 0.81 -0.41 2.37 4.05 -0.86 -0.95 114.93 120.76 3hfa h MET 386 Ca 0.21 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3hfa h MET 386 Cb 0.10 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3hfa h MET 386 CO -0.03 0.53 0.20 0.28 0.23 0.00 0.00 176.91 178.13 3hfa h VAL 387 N 0.83 1.17 -0.56 -5.77 2.07 -0.77 -2.62 116.25 110.60 3hfa h VAL 387 Ca 0.24 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hfa h VAL 387 Cb -0.06 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3hfa h VAL 387 CO -0.07 0.19 0.37 -0.09 0.02 0.00 0.00 177.57 177.99 3hfa h ARG 388 N 0.53 0.74 -0.02 1.57 2.43 -0.65 -0.17 114.38 118.81 3hfa h ARG 388 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 388 Cb 0.11 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3hfa h ARG 388 CO -0.02 0.50 0.05 0.78 -1.51 0.00 0.00 179.97 179.77 3hfa h GLY 389 N 0.77 0.00 -1.50 2.80 0.00 -0.80 -1.51 103.07 102.84 3hfa h GLY 389 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hfa h GLY 389 CO -0.04 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.49 3hfa n ASN 390 N -3.41 2.55 -0.14 0.19 5.15 -0.08 -4.55 115.26 114.98 3hfa n ASN 390 Ca -0.02 -1.84 -0.03 0.00 -0.60 0.00 0.00 54.58 52.08 3hfa n ASN 390 Cb 0.13 -0.07 0.04 0.00 -0.53 0.00 0.00 39.78 39.36 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 3.75 -0.14 -0.05 1.20 5.85 -1.24 0.26 115.31 124.93 3hfa h LEU 391 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 391 Cb 0.81 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3hfa h LEU 391 CO 0.00 -0.03 -0.13 0.00 -0.34 0.00 0.00 178.44 177.93 3hfa h ALA 392 N 1.38 -0.11 -0.81 1.25 0.00 -1.81 0.28 119.26 119.44 3hfa h ALA 392 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hfa h ALA 392 Cb 0.32 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hfa h ALA 392 CO -0.35 -0.61 0.46 0.00 0.00 0.00 0.00 179.25 178.75 3hfa h ALA 393 N 0.80 1.28 -0.81 0.00 0.00 -1.74 -2.49 119.26 116.31 3hfa h ALA 393 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 393 Cb 0.29 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 393 CO -0.17 0.59 0.45 0.00 0.00 0.00 0.00 179.25 180.13 3hfa h ALA 394 N 1.38 1.27 0.00 0.00 0.00 0.36 -0.39 119.26 121.88 3hfa h ALA 394 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 394 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3hfa h ALA 394 CO -0.05 0.60 0.00 0.52 0.00 0.00 0.00 179.25 180.32 3hfa h MET 395 N 1.13 0.00 -0.38 0.00 2.86 -0.52 -0.72 114.93 117.30 3hfa h MET 395 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3hfa h MET 395 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3hfa h MET 395 CO -0.05 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.96 3hfa n GLN 396 N -2.44 2.20 0.00 1.72 1.13 -0.27 -4.94 117.38 114.79 3hfa n GLN 396 Ca 0.01 -1.83 0.00 0.00 -1.94 0.00 0.00 57.00 53.24 3hfa n GLN 396 Cb 0.23 -1.45 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 1.35 0.44 2.59 1.08 0.00 -0.28 -5.00 105.19 105.38 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 7.67 -4.73 0.99 4.77 -0.53 -4.87 117.00 120.29 3hfa n LEU 398 Ca 0.00 -4.85 -0.35 0.00 -0.03 0.00 0.00 56.01 50.77 3hfa n LEU 398 Cb 0.00 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 39.63 3hfa n LEU 398 CO 0.00 1.89 -0.12 -0.22 -1.33 0.00 0.00 177.39 177.61 3hfa s LEU 399 N -1.73 4.22 -0.04 2.23 2.96 -1.26 -3.66 118.68 121.41 3hfa s LEU 399 Ca 0.50 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3hfa s LEU 399 Cb 0.16 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3hfa s LEU 399 CO -0.07 0.15 0.09 0.00 -1.32 0.00 0.00 176.35 175.21 3hfa s ALA 400 N 0.38 -0.20 -0.12 5.97 0.00 -1.26 -0.92 121.76 125.60 3hfa s ALA 400 Ca 0.11 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3hfa s ALA 400 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hfa s ALA 400 CO 0.00 -0.07 -0.20 -0.51 0.00 0.00 0.00 175.76 174.98 3hfa s LEU 401 N 0.33 1.99 0.41 0.00 1.43 0.15 -4.95 118.68 118.05 3hfa s LEU 401 Ca -0.02 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 3hfa s LEU 401 Cb -0.04 -1.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 3hfa s LEU 401 CO -0.01 0.07 0.80 -2.16 0.23 0.00 0.00 176.35 175.28 3hfa s PRO 402 N 0.79 3.84 -0.10 1.29 0.05 -1.26 -1.50 135.00 138.11 3hfa s PRO 402 Ca -0.09 0.57 0.04 0.00 0.05 0.00 0.00 61.00 61.57 3hfa s PRO 402 Cb -0.16 -2.36 0.00 0.00 0.05 0.00 0.00 34.50 32.04 3hfa s PRO 402 CO -0.00 -0.04 -0.22 -1.17 0.05 0.00 0.00 177.00 175.61 3hfa s LEU 403 N -3.76 2.02 -0.18 -3.56 2.96 0.18 -3.69 118.68 112.65 3hfa s LEU 403 Ca 0.53 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3hfa s LEU 403 Cb -0.10 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3hfa s LEU 403 CO 0.29 0.13 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.20 3hfa s LEU 404 N 0.45 3.14 -0.04 -0.68 2.96 0.15 -1.34 118.68 123.33 3hfa s LEU 404 Ca -0.17 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 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 0.11 -0.24 0.00 -1.32 0.00 0.00 176.35 174.97 3hfa s ALA 405 N 0.74 2.24 0.24 5.97 0.00 -0.47 -0.29 121.76 130.19 3hfa s ALA 405 Ca -0.02 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3hfa s ALA 405 Cb -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.32 3hfa s ALA 405 CO 0.02 0.49 0.54 0.20 0.00 0.00 0.00 175.76 177.01 3hfa s GLY 406 N -0.48 0.21 -0.20 0.00 0.00 0.20 -0.50 107.32 106.55 3hfa s GLY 406 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.23 3hfa s GLY 406 CO 0.01 -0.41 -0.17 -0.47 0.00 0.00 0.00 173.10 172.05 3hfa s TYR 407 N -3.95 2.86 -0.59 1.90 5.04 -0.39 0.65 117.35 122.87 3hfa s TYR 407 Ca 0.16 -1.79 -0.25 0.00 -2.44 0.00 0.00 57.07 52.74 3hfa s TYR 407 Cb -0.02 -1.90 0.04 0.00 0.35 0.00 0.00 41.96 40.43 3hfa s TYR 407 CO 0.05 -0.82 1.05 0.34 -1.34 0.00 0.00 175.55 174.83 3hfa s ASP 408 N 1.26 6.33 0.56 4.32 2.15 -0.07 -4.88 116.67 126.34 3hfa s ASP 408 Ca 0.01 -0.32 0.36 0.00 0.43 0.00 0.00 52.55 53.04 3hfa s ASP 408 Cb -0.15 -2.48 1.72 0.00 -0.30 0.00 0.00 42.92 41.72 3hfa s ASP 408 CO -0.11 -1.39 2.09 0.16 -0.17 0.00 0.00 175.17 175.75 3hfa h ILE 409 N 6.05 0.00 -0.02 4.11 3.07 -1.97 -1.94 117.51 126.82 3hfa h ILE 409 Ca -0.26 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.87 3hfa h ILE 409 Cb 1.07 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 3hfa h ILE 409 CO 1.15 0.00 -0.03 1.41 -1.05 0.00 0.00 178.15 179.63 3hfa n HIS 410 N -2.98 0.00 -2.07 0.16 8.25 -1.26 -4.95 115.22 112.38 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 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.05 2.70 0.02 -1.41 0.00 -0.73 -4.96 121.76 115.33 3hfa s ALA 411 Ca 0.34 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 53.06 3hfa s ALA 411 Cb 0.21 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 3hfa s ALA 411 CO 0.34 -1.03 1.29 0.77 0.00 0.00 0.00 175.76 177.14 3hfa h SER 412 N 1.28 -0.40 -3.33 0.00 0.02 -1.92 -3.41 113.55 105.79 3hfa h SER 412 Ca -0.50 -0.14 -0.73 0.00 -0.84 0.00 0.00 61.79 59.58 3hfa h SER 412 Cb 1.28 0.10 -0.25 0.00 0.14 0.00 0.00 62.40 63.68 3hfa h SER 412 CO 0.57 -0.07 -0.37 -0.62 -1.14 0.00 0.00 176.83 175.20 3hfa s ASP 413 N -4.98 5.96 0.59 3.07 2.15 -1.26 -4.95 116.67 117.24 3hfa s ASP 413 Ca -0.14 -1.47 0.29 0.00 0.43 0.00 0.00 52.55 51.66 3hfa s ASP 413 Cb 0.02 -2.11 1.72 0.00 -0.30 0.00 0.00 42.92 42.25 3hfa s ASP 413 CO 0.55 -0.64 2.16 -0.65 -0.17 0.00 0.00 175.17 176.42 3hfa h PRO 414 N 8.64 0.00 -0.48 4.34 0.11 -1.95 -1.26 132.00 141.40 3hfa h PRO 414 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3hfa h PRO 414 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hfa h PRO 414 CO 0.85 0.00 0.16 1.96 -0.21 0.00 0.00 178.00 180.76 3hfa h GLN 415 N 0.00 0.69 -0.08 1.05 1.08 -1.92 -3.17 115.11 112.76 3hfa h GLN 415 Ca 0.05 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3hfa h GLN 415 Cb 0.30 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3hfa h GLN 415 CO -0.00 0.60 -0.31 -1.13 -0.95 0.00 0.00 178.83 177.04 3hfa n SER 416 N -4.33 2.06 0.00 1.46 3.41 -0.51 -0.69 113.62 115.03 3hfa n SER 416 Ca 0.03 -3.70 0.14 0.00 -0.26 0.00 0.00 58.87 55.08 3hfa n SER 416 Cb 0.18 -0.53 0.67 0.00 -0.26 0.00 0.00 64.21 64.27 3hfa n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfa n ALA 417 N -1.15 2.37 -1.76 7.33 0.00 -1.00 -4.82 120.51 121.47 3hfa n ALA 417 Ca 0.21 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3hfa n ALA 417 Cb 0.76 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.76 2.91 -0.01 0.00 0.00 -1.26 -0.89 107.32 105.31 3hfa s GLY 418 Ca 0.21 1.38 0.02 0.00 0.00 0.00 0.00 44.72 46.33 3hfa s GLY 418 CO 0.47 1.97 -0.06 0.50 0.00 0.00 0.00 173.10 175.99 3hfa s ARG 419 N -2.47 0.56 -0.08 2.90 1.81 0.21 -4.89 118.95 116.98 3hfa s ARG 419 Ca 0.62 -0.18 0.02 0.00 -1.72 0.00 0.00 55.73 54.46 3hfa s ARG 419 Cb -0.42 -0.55 0.01 0.00 -0.45 0.00 0.00 34.95 33.55 3hfa s ARG 419 CO 0.53 0.08 -0.12 0.42 -0.68 0.00 0.00 175.30 175.53 3hfa s ILE 420 N 0.12 1.18 -0.06 1.52 1.01 -1.26 -0.63 121.20 123.08 3hfa s ILE 420 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3hfa s ILE 420 Cb -0.05 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3hfa s ILE 420 CO -0.00 0.37 -0.09 -0.69 0.00 0.00 0.00 174.94 174.53 3hfa s VAL 421 N 0.85 0.87 0.24 2.92 1.01 0.61 -0.41 120.40 126.49 3hfa s VAL 421 Ca -0.11 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3hfa s VAL 421 Cb -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3hfa s VAL 421 CO 0.01 0.30 0.17 -0.94 0.00 0.00 0.00 175.10 174.65 3hfa s SER 422 N 0.81 5.46 0.01 3.32 1.04 -0.41 -0.68 113.70 123.25 3hfa s SER 422 Ca -0.12 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.07 3hfa s SER 422 Cb -0.15 -1.38 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 3hfa s SER 422 CO 0.02 -0.02 -0.06 -0.36 0.98 0.00 0.00 173.24 173.80 3hfa s PHE 423 N -2.08 0.56 0.48 5.02 0.08 -1.24 -0.75 117.98 120.05 3hfa s PHE 423 Ca 0.32 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.23 3hfa s PHE 423 Cb -0.08 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3hfa s PHE 423 CO 0.24 -0.03 0.52 0.16 -0.10 0.00 0.00 175.22 176.02 3hfa s ASP 424 N -0.61 5.11 0.34 1.36 1.47 -0.15 -4.72 116.67 119.48 3hfa s ASP 424 Ca -0.02 -0.80 0.26 0.00 1.18 0.00 0.00 52.55 53.18 3hfa s ASP 424 Cb -0.05 -0.19 1.15 0.00 -0.34 0.00 0.00 42.92 43.50 3hfa s ASP 424 CO 0.00 -0.93 1.79 0.00 0.68 0.00 0.00 175.17 176.71 3hfa h ALA 425 N 0.68 1.00 -0.25 2.11 0.00 -1.92 -1.94 119.26 118.95 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3hfa n ALA 426 N -1.85 2.46 -0.18 0.00 0.00 -1.26 -4.40 120.51 115.29 3hfa n ALA 426 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3hfa n ALA 426 Cb 0.21 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3hfa n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfa n GLY 427 N 1.36 0.61 3.77 0.00 0.00 -0.73 -4.57 105.19 105.63 3hfa n GLY 427 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hfa n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfa s GLY 428 N -1.22 2.92 0.07 -0.02 0.00 -1.25 -4.73 107.32 103.07 3hfa s GLY 428 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.17 3hfa s GLY 428 CO 0.00 2.01 -0.10 0.66 0.00 0.00 0.00 173.10 175.67 3hfa s TRP 429 N -1.22 0.95 -0.03 1.90 1.48 -1.26 -0.98 118.94 119.77 3hfa s TRP 429 Ca 0.61 -0.53 -0.01 0.00 -1.06 0.00 0.00 56.10 55.11 3hfa s TRP 429 Cb -0.42 -0.54 0.03 0.00 -1.16 0.00 0.00 33.47 31.38 3hfa s TRP 429 CO 0.54 -0.02 0.04 1.21 -4.06 0.00 0.00 176.95 174.66 3hfa s ASN 430 N -1.86 0.66 -0.38 -2.66 2.47 0.07 -4.97 114.94 108.26 3hfa s ASN 430 Ca -0.03 0.04 -0.29 0.00 0.42 0.00 0.00 52.86 53.00 3hfa s ASN 430 Cb -0.08 -0.14 0.02 0.00 -1.45 0.00 0.00 41.25 39.60 3hfa s ASN 430 CO 0.01 -0.18 1.12 -0.63 -3.72 0.00 0.00 177.10 173.70 3hfa s ILE 431 N 1.58 4.35 0.20 -5.21 1.01 -1.26 -1.29 121.20 120.58 3hfa s ILE 431 Ca -0.02 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 3hfa s ILE 431 Cb -0.13 -4.47 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 3hfa s ILE 431 CO -0.03 -0.69 1.38 -0.70 0.00 0.00 0.00 174.94 174.91 3hfa s GLU 432 N 4.03 4.32 0.00 2.79 2.56 0.45 -4.92 118.70 127.93 3hfa s GLU 432 Ca 0.47 2.16 0.08 0.00 0.00 0.00 0.00 54.97 57.69 3hfa s GLU 432 Cb -0.11 -3.17 -0.00 0.00 2.00 0.00 0.00 34.13 32.85 3hfa s GLU 432 CO 0.23 -0.36 0.58 0.39 -0.56 0.00 0.00 175.26 175.53 3hfa n GLU 433 N 2.87 2.14 -0.10 4.30 1.02 -1.26 -4.62 120.64 124.98 3hfa n GLU 433 Ca 0.08 -0.56 0.12 0.00 -0.02 0.00 0.00 57.16 56.78 3hfa n GLU 433 Cb 0.42 -1.03 0.16 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.27 2.41 0.00 3.49 1.02 -1.26 -4.97 120.64 121.06 3hfa n GLU 434 Ca 0.03 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 3hfa n GLU 434 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.42 2.55 3.51 0.62 0.00 -1.26 -5.03 105.19 107.01 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 -2.62 -0.12 0.20 1.61 -0.85 -1.26 -0.46 117.35 113.85 3hfa s TYR 436 Ca 0.00 -0.22 -0.22 0.00 -0.52 0.00 0.00 57.07 56.11 3hfa s TYR 436 Cb 0.00 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.78 3hfa s TYR 436 CO 0.00 -0.91 0.65 -1.14 -1.52 0.00 0.00 175.55 172.63 3hfa s GLN 437 N -3.87 1.47 -0.01 -3.49 2.00 -0.17 -4.95 119.66 110.63 3hfa s GLN 437 Ca 0.09 -0.66 -0.20 0.00 -2.00 0.00 0.00 55.36 52.59 3hfa s GLN 437 Cb -0.01 0.60 0.04 0.00 0.80 0.00 0.00 33.01 34.44 3hfa s GLN 437 CO -0.03 -0.66 0.44 0.00 -0.50 0.00 0.00 175.29 174.54 3hfa s ALA 438 N -3.81 -1.12 0.05 1.58 0.00 -1.26 -1.30 121.76 115.90 3hfa s ALA 438 Ca 0.05 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3hfa s ALA 438 Cb -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hfa s ALA 438 CO -0.06 -0.34 -0.08 0.54 0.00 0.00 0.00 175.76 175.83 3hfa s VAL 439 N -1.56 0.60 0.00 0.00 0.11 -0.16 -4.85 120.40 114.54 3hfa s VAL 439 Ca -0.11 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.69 3hfa s VAL 439 Cb -0.03 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3hfa s VAL 439 CO 0.04 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 171.96 3hfa n GLY 440 N 1.18 1.25 0.33 6.54 0.00 -1.26 -1.31 105.19 111.93 3hfa n GLY 440 Ca -0.21 -2.23 0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.19 1.61 4.64 -1.25 -1.77 113.55 116.59 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 -1.13 3.44 0.34 -0.77 0.00 -1.14 -4.74 105.19 101.19 3hfa n GLY 442 Ca -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 3hfa n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 443 N 1.19 0.85 -0.48 1.61 4.64 -1.55 -2.08 113.55 117.72 3hfa h SER 443 Ca 0.00 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 3hfa h SER 443 Cb 0.89 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3hfa h SER 443 CO 0.05 0.66 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.51 3hfa h LEU 444 N 0.98 0.95 -0.75 5.97 4.07 -1.85 -0.11 115.31 124.57 3hfa h LEU 444 Ca 0.26 -0.29 -0.13 0.00 0.08 0.00 0.00 57.88 57.79 3hfa h LEU 444 Cb -0.03 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 3hfa h LEU 444 CO -0.05 1.05 -0.41 -0.26 -1.08 0.00 0.00 178.44 177.69 3hfa h PHE 445 N 0.86 0.55 -0.19 1.13 0.04 -1.84 -2.18 116.94 115.30 3hfa h PHE 445 Ca 0.14 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 3hfa h PHE 445 Cb 0.62 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 3hfa h PHE 445 CO 0.04 0.80 -0.30 0.00 -0.60 0.00 0.00 178.31 178.25 3hfa h ALA 446 N 1.18 0.29 -0.02 2.45 0.00 -1.13 -2.45 119.26 119.59 3hfa h ALA 446 Ca 0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3hfa h ALA 446 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3hfa h ALA 446 CO 0.07 0.32 -0.50 0.87 0.00 0.00 0.00 179.25 180.01 3hfa h LYS 447 N 0.20 0.05 0.00 0.00 1.57 -1.00 0.47 116.57 117.86 3hfa h LYS 447 Ca 0.02 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3hfa h LYS 447 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3hfa h LYS 447 CO 0.07 0.54 -0.62 0.77 -0.57 0.00 0.00 179.45 179.64 3hfa h SER 448 N 0.04 0.00 -0.02 0.86 0.02 -1.41 -0.16 113.55 112.89 3hfa h SER 448 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hfa h SER 448 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3hfa h SER 448 CO 0.07 0.62 -0.06 -1.28 -1.14 0.00 0.00 176.83 175.04 3hfa h SER 449 N 0.00 0.08 -0.59 3.07 0.87 -1.01 -3.26 113.55 112.71 3hfa h SER 449 Ca -0.01 -0.64 -0.02 0.00 -1.23 0.00 0.00 61.79 59.89 3hfa h SER 449 Cb 1.12 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 3hfa h SER 449 CO 0.08 0.71 0.30 0.24 -0.53 0.00 0.00 176.83 177.63 3hfa h MET 450 N -0.55 0.87 -0.99 2.24 2.07 -0.86 -0.88 114.93 116.83 3hfa h MET 450 Ca -0.00 -0.11 0.26 0.00 -2.07 0.00 0.00 59.70 57.78 3hfa h MET 450 Cb 0.70 -0.17 -0.13 0.00 -1.87 0.00 0.00 31.60 30.13 3hfa h MET 450 CO 0.01 0.67 0.57 -0.22 1.07 0.00 0.00 176.91 179.01 3hfa h LYS 451 N 0.87 0.48 0.00 1.72 3.64 -1.07 0.27 116.57 122.49 3hfa h LYS 451 Ca 0.22 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.34 3hfa h LYS 451 Cb 0.08 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3hfa h LYS 451 CO -0.03 0.32 -1.36 0.87 -2.27 0.00 0.00 179.45 176.98 3hfa h LYS 452 N 0.49 0.00 0.00 1.90 1.79 -1.25 -3.39 116.57 116.12 3hfa h LYS 452 Ca 0.66 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 3hfa h LYS 452 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 3hfa h LYS 452 CO -0.52 0.59 -1.43 1.28 -1.08 0.00 0.00 179.45 178.29 3hfa n LEU 453 N -3.11 0.44 0.26 2.94 4.77 -0.60 -4.50 117.00 117.20 3hfa n LEU 453 Ca -0.09 -0.01 0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3hfa n LEU 453 Cb 0.95 -0.04 0.69 0.00 -2.33 0.00 0.00 43.42 42.70 3hfa n LEU 453 CO 0.45 0.01 1.02 0.22 -1.33 0.00 0.00 177.39 177.76 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.69 -0.05 116.97 117.66 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 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3hfa h TYR 454 CO 0.00 0.07 0.00 0.66 -1.64 0.00 0.00 178.16 177.25 3hfa h SER 455 N 0.00 0.00 0.34 -2.11 4.64 -1.83 -1.49 113.55 113.10 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 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hfa h SER 455 CO 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.85 3hfa n GLN 456 N -2.80 0.73 -2.77 4.77 6.02 -0.03 -4.82 117.38 118.48 3hfa n GLN 456 Ca -0.01 -0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.28 3hfa n GLN 456 Cb 0.12 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.46 4.65 0.00 5.09 1.01 -0.56 -4.80 120.40 123.33 3hfa s VAL 457 Ca 0.29 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3hfa s VAL 457 Cb 0.20 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3hfa s VAL 457 CO 0.48 -0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3hfa n THR 458 N 5.65 0.00 -3.81 3.92 -2.24 -1.26 -4.87 114.28 111.66 3hfa n THR 458 Ca 0.09 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3hfa n THR 458 Cb 0.47 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3hfa n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hfa s ASP 459 N -0.43 0.03 0.34 3.42 1.47 -1.26 -4.55 116.67 115.69 3hfa s ASP 459 Ca 0.00 -1.15 0.02 0.00 1.18 0.00 0.00 52.55 52.60 3hfa s ASP 459 Cb 0.00 0.83 0.61 0.00 -0.34 0.00 0.00 42.92 44.01 3hfa s ASP 459 CO 0.00 -1.65 1.98 1.23 0.68 0.00 0.00 175.17 177.41 3hfa h GLY 460 N 2.00 0.87 0.64 2.12 0.00 -1.94 -0.22 103.07 106.54 3hfa h GLY 460 Ca -0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3hfa h GLY 460 CO 0.42 0.34 -0.01 -1.80 0.00 0.00 0.00 176.54 175.49 3hfa h ASP 461 N 0.83 0.06 -0.03 0.19 1.82 -1.99 -0.41 116.42 116.89 3hfa h ASP 461 Ca 0.22 -0.38 -0.11 0.00 -0.39 0.00 0.00 57.03 56.37 3hfa h ASP 461 Cb -0.03 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 3hfa h ASP 461 CO -0.04 0.43 -0.31 0.77 -1.61 0.00 0.00 179.24 178.47 3hfa h SER 462 N -0.31 0.50 -0.46 2.28 4.64 -1.87 -2.00 113.55 116.34 3hfa h SER 462 Ca 0.01 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3hfa h SER 462 Cb 0.40 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3hfa h SER 462 CO 0.00 0.79 0.28 1.23 -0.87 0.00 0.00 176.83 178.26 3hfa h GLY 463 N 1.05 0.64 1.02 -0.77 0.00 -0.90 -0.47 103.07 103.64 3hfa h GLY 463 Ca 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3hfa h GLY 463 CO 0.06 0.18 0.32 -2.00 0.00 0.00 0.00 176.54 175.10 3hfa h LEU 464 N 0.55 0.98 -0.41 3.11 5.85 -0.84 -1.42 115.31 123.14 3hfa h LEU 464 Ca 0.18 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hfa h LEU 464 Cb -0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3hfa h LEU 464 CO -0.07 0.87 0.19 -0.09 -0.34 0.00 0.00 178.44 179.00 3hfa h ARG 465 N 1.03 0.59 -0.51 1.25 2.43 -0.89 -0.94 114.38 117.34 3hfa h ARG 465 Ca 0.25 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3hfa h ARG 465 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hfa h ARG 465 CO -0.02 0.52 0.00 0.28 -1.51 0.00 0.00 179.97 179.24 3hfa h VAL 466 N 0.52 1.25 -0.38 0.20 2.07 -0.87 -0.35 116.25 118.69 3hfa h VAL 466 Ca 0.14 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3hfa h VAL 466 Cb 0.13 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3hfa h VAL 466 CO -0.02 0.37 0.15 0.00 0.02 0.00 0.00 177.57 178.09 3hfa h ALA 467 N 1.20 0.50 -0.56 1.67 0.00 -0.95 0.40 119.26 121.52 3hfa h ALA 467 Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 467 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hfa h ALA 467 CO 0.02 0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.65 3hfa h VAL 468 N 0.47 1.26 -0.25 0.00 2.07 -0.90 -1.72 116.25 117.18 3hfa h VAL 468 Ca 0.13 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3hfa h VAL 468 Cb 0.19 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hfa h VAL 468 CO -0.01 0.40 -0.27 -0.08 0.02 0.00 0.00 177.57 177.63 3hfa h GLU 469 N 0.89 0.49 -0.65 1.57 4.81 -0.82 -0.08 114.58 120.79 3hfa h GLU 469 Ca 0.16 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3hfa h GLU 469 Cb 0.53 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3hfa h GLU 469 CO 0.03 0.72 0.08 0.00 -0.73 0.00 0.00 179.01 179.11 3hfa h ALA 470 N 1.28 0.91 -0.68 2.92 0.00 -0.56 0.12 119.26 123.25 3hfa h ALA 470 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3hfa h ALA 470 Cb 0.70 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3hfa h ALA 470 CO 0.05 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 180.08 3hfa h LEU 471 N 1.01 1.01 -0.19 0.00 4.07 -1.01 -0.20 115.31 120.00 3hfa h LEU 471 Ca 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hfa h LEU 471 Cb 0.47 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3hfa h LEU 471 CO 0.02 0.96 0.12 0.22 -1.08 0.00 0.00 178.44 178.67 3hfa h TYR 472 N 1.03 0.25 -0.60 1.13 3.20 -0.45 -0.37 116.97 121.16 3hfa h TYR 472 Ca 0.22 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3hfa h TYR 472 Cb 0.33 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3hfa h TYR 472 CO 0.02 0.20 0.17 -0.44 -1.64 0.00 0.00 178.16 176.47 3hfa h ASP 473 N 0.23 0.85 -0.53 -2.11 3.32 -0.77 -0.29 116.42 117.12 3hfa h ASP 473 Ca 0.07 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 473 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3hfa h ASP 473 CO -0.01 0.82 0.30 0.00 -1.72 0.00 0.00 179.24 178.62 3hfa h ALA 474 N 1.30 0.68 -0.27 3.45 0.00 -0.62 -2.47 119.26 121.33 3hfa h ALA 474 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 474 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 474 CO -0.01 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 179.23 3hfa h ALA 475 N 1.13 1.15 -0.40 0.00 0.00 -0.55 0.88 119.26 121.47 3hfa h ALA 475 Ca 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hfa h ALA 475 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hfa h ALA 475 CO -0.03 0.53 0.18 0.22 0.00 0.00 0.00 179.25 180.16 3hfa h ASP 476 N 0.44 0.50 0.00 0.00 3.58 -0.66 -3.24 116.42 117.04 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 0.60 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.52 3hfa h ASP 476 CO 0.04 0.43 -0.86 0.47 -2.88 0.00 0.00 179.24 176.45 3hfa n ASP 477 N -4.40 1.17 -3.99 2.28 8.00 -0.97 -4.92 116.55 113.72 3hfa n ASP 477 Ca 0.03 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.72 3hfa n ASP 477 Cb 0.12 1.18 -0.16 0.00 -0.02 0.00 0.00 41.12 42.24 3hfa n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hfa s ASP 478 N -2.46 3.38 0.40 -2.24 2.15 0.27 -5.00 116.67 113.16 3hfa s ASP 478 Ca 0.01 -0.88 0.28 0.00 0.43 0.00 0.00 52.55 52.40 3hfa s ASP 478 Cb 0.08 -1.22 1.29 0.00 -0.30 0.00 0.00 42.92 42.78 3hfa s ASP 478 CO 0.46 -0.15 1.85 0.77 -0.17 0.00 0.00 175.17 177.93 3hfa h SER 479 N 7.98 0.00 0.06 -0.34 4.64 -1.86 -2.12 113.55 121.92 3hfa h SER 479 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 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 0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.40 3hfa n ALA 480 N -1.90 2.66 -2.82 5.18 0.00 -1.26 -4.76 120.51 117.61 3hfa n ALA 480 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3hfa n ALA 480 Cb 0.20 -1.31 -0.14 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 -2.10 3.08 -0.05 0.00 2.01 -0.80 -0.67 115.64 117.11 3hfa s THR 481 Ca 0.39 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 3hfa s THR 481 Cb 0.21 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 3hfa s THR 481 CO 0.38 0.55 0.49 -0.83 -0.69 0.00 0.00 174.62 174.52 3hfa s GLY 482 N -0.12 2.48 0.82 4.40 0.00 -1.26 -4.52 107.32 109.13 3hfa s GLY 482 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.48 3hfa s GLY 482 CO 0.03 0.59 1.14 -0.32 0.00 0.00 0.00 173.10 174.55 3hfa s GLY 483 N -0.08 1.75 0.22 0.20 0.00 -1.26 -4.55 107.32 103.60 3hfa s GLY 483 Ca 0.27 -1.32 -0.32 0.00 0.00 0.00 0.00 44.72 43.34 3hfa s GLY 483 CO 0.13 -0.70 1.57 -1.05 0.00 0.00 0.00 173.10 173.04 3hfa n PRO 484 N -3.26 2.37 -3.45 2.90 -0.02 -1.26 -4.90 135.00 127.38 3hfa n PRO 484 Ca 0.14 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 62.03 3hfa n PRO 484 Cb 0.60 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.71 5.99 0.31 2.55 -1.08 -0.11 -4.93 116.67 120.10 3hfa s ASP 485 Ca 0.72 -2.06 0.13 0.00 -0.52 0.00 0.00 52.55 50.82 3hfa s ASP 485 Cb -0.60 -2.09 0.48 0.00 -1.46 0.00 0.00 42.92 39.25 3hfa s ASP 485 CO 0.42 -0.71 1.67 -0.07 0.52 0.00 0.00 175.17 177.00 3hfa h LEU 486 N 8.39 0.00 -0.10 -1.34 4.07 -1.93 0.25 115.31 124.66 3hfa h LEU 486 Ca -0.18 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 3hfa h LEU 486 Cb 1.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.80 3hfa h LEU 486 CO 0.89 0.53 -0.01 0.58 -1.08 0.00 0.00 178.44 179.35 3hfa h VAL 487 N 0.00 1.27 0.00 1.22 2.07 -1.97 -3.24 116.25 115.60 3hfa h VAL 487 Ca -0.01 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hfa h VAL 487 Cb 1.00 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3hfa h VAL 487 CO 0.07 0.25 -0.61 0.03 0.02 0.00 0.00 177.57 177.33 3hfa h ARG 488 N -0.13 0.00 -2.89 1.57 3.08 -1.99 -3.48 114.38 110.55 3hfa h ARG 488 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3hfa h ARG 488 Cb 0.39 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.49 3hfa h ARG 488 CO 0.01 0.00 -0.24 0.41 -1.07 0.00 0.00 179.97 179.07 3hfa n GLY 489 N 1.18 0.33 3.32 0.04 0.00 0.80 -5.06 105.19 105.80 3hfa n GLY 489 Ca 0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.11 2.64 0.24 -0.61 1.01 -0.61 -5.01 121.20 115.75 3hfa s ILE 490 Ca 0.12 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.99 3hfa s ILE 490 Cb -0.05 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3hfa s ILE 490 CO 0.25 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.36 3hfa s PHE 491 N 0.25 1.63 0.72 3.97 0.08 -1.26 -0.94 117.98 122.43 3hfa s PHE 491 Ca -0.12 -0.89 -0.16 0.00 0.12 0.00 0.00 56.93 55.88 3hfa s PHE 491 Cb -0.16 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.33 3hfa s PHE 491 CO 0.06 0.01 0.82 -2.30 -0.10 0.00 0.00 175.22 173.72 3hfa n PRO 492 N -0.45 0.44 -3.99 0.24 -0.02 -1.26 -4.80 135.00 125.15 3hfa n PRO 492 Ca -0.05 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.40 3hfa n PRO 492 Cb 0.64 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3hfa n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hfa s THR 493 N -1.85 5.10 -0.01 3.45 -4.23 -0.72 -4.93 115.64 112.45 3hfa s THR 493 Ca 0.71 -0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 3hfa s THR 493 Cb -0.35 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 69.80 3hfa s THR 493 CO 0.53 -0.25 0.29 0.00 -0.54 0.00 0.00 174.62 174.65 3hfa s ALA 494 N -1.92 -0.74 -0.03 3.99 0.00 -1.26 -1.19 121.76 120.62 3hfa s ALA 494 Ca 0.34 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.62 3hfa s ALA 494 Cb -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 494 CO 0.28 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.67 3hfa s VAL 495 N -1.38 1.47 -0.08 0.00 1.01 0.66 -0.72 120.40 121.36 3hfa s VAL 495 Ca -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3hfa s VAL 495 Cb -0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hfa s VAL 495 CO 0.04 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.79 3hfa s ILE 496 N -0.22 3.11 -0.10 2.22 1.01 -0.42 -0.96 121.20 125.83 3hfa s ILE 496 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3hfa s ILE 496 Cb -0.09 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3hfa s ILE 496 CO 0.01 0.57 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 3hfa s ILE 497 N -0.37 1.23 0.00 2.92 1.01 -0.11 -0.92 121.20 124.95 3hfa s ILE 497 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3hfa s ILE 497 Cb -0.12 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3hfa s ILE 497 CO 0.02 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 3hfa n ASP 498 N 4.38 0.39 0.25 3.58 5.68 -1.16 -1.19 116.55 128.47 3hfa n ASP 498 Ca -0.18 -0.14 0.14 0.00 -0.50 0.00 0.00 54.79 54.12 3hfa n ASP 498 Cb 0.51 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.32 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 1.74 -0.06 2.12 0.00 -1.95 0.15 119.26 122.26 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 499 CO 0.00 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.90 3hfa n ASP 500 N -4.00 1.00 0.00 0.00 8.00 -1.26 -5.03 116.55 115.26 3hfa n ASP 500 Ca -0.01 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3hfa n ASP 500 Cb 0.17 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.69 3.71 0.44 0.00 0.54 -4.99 105.19 106.63 3hfa n GLY 501 Ca 0.18 -2.12 -0.41 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 -1.20 3.27 0.02 4.61 0.00 0.15 -3.00 121.76 125.61 3hfa s ALA 502 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3hfa s ALA 502 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3hfa s ALA 502 CO 0.00 -0.14 -0.06 0.14 0.00 0.00 0.00 175.76 175.70 3hfa s VAL 503 N 0.86 0.42 0.17 0.00 -7.23 -0.10 -4.96 120.40 109.56 3hfa s VAL 503 Ca 0.43 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 3hfa s VAL 503 Cb -0.19 -0.45 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 3hfa s VAL 503 CO 0.22 -0.19 1.27 -1.81 -0.31 0.00 0.00 175.10 174.28 3hfa s ASP 504 N -0.94 6.97 0.03 4.85 1.01 -1.26 -1.31 116.67 126.02 3hfa s ASP 504 Ca -0.06 2.30 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 3hfa s ASP 504 Cb -0.06 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3hfa s ASP 504 CO 0.00 -0.48 1.02 -0.69 0.21 0.00 0.00 175.17 175.22 3hfa s VAL 505 N 0.26 4.64 0.29 -1.27 1.01 0.11 -4.91 120.40 120.54 3hfa s VAL 505 Ca 0.56 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 64.20 3hfa s VAL 505 Cb -0.34 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 3hfa s VAL 505 CO 0.36 0.18 1.56 -2.84 0.00 0.00 0.00 175.10 174.36 3hfa s PRO 506 N 0.81 4.15 0.32 2.72 0.02 -1.26 -4.62 135.00 137.14 3hfa s PRO 506 Ca 0.52 2.53 0.10 0.00 0.02 0.00 0.00 61.00 64.17 3hfa s PRO 506 Cb -0.23 -3.03 0.92 0.00 0.02 0.00 0.00 34.50 32.18 3hfa s PRO 506 CO 0.29 -0.58 1.72 1.49 -0.33 0.00 0.00 177.00 179.58 3hfa h GLU 507 N 4.69 0.51 -0.57 5.54 4.81 -1.94 -1.64 114.58 126.00 3hfa h GLU 507 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hfa h GLU 507 Cb 1.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3hfa h GLU 507 CO 0.78 0.34 0.36 0.66 -0.73 0.00 0.00 179.01 180.42 3hfa h SER 508 N 0.53 0.66 0.26 1.04 4.64 -1.99 0.66 113.55 119.35 3hfa h SER 508 Ca 0.66 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.75 3hfa h SER 508 Cb 1.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hfa h SER 508 CO -0.50 0.49 -0.85 -0.09 -0.87 0.00 0.00 176.83 175.01 3hfa h ARG 509 N 0.77 0.44 -0.43 4.77 2.43 -1.67 -2.17 114.38 118.52 3hfa h ARG 509 Ca 0.21 -0.42 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 3hfa h ARG 509 Cb -0.07 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3hfa h ARG 509 CO -0.04 1.07 -0.29 0.82 -1.51 0.00 0.00 179.97 180.02 3hfa h ILE 510 N 0.27 1.27 -0.71 1.20 2.04 -1.27 -2.08 117.51 118.23 3hfa h ILE 510 Ca -0.06 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.37 3hfa h ILE 510 Cb 1.46 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 3hfa h ILE 510 CO 0.15 0.49 0.45 0.00 0.00 0.00 0.00 178.15 179.25 3hfa h ALA 511 N 0.81 0.93 -0.25 1.87 0.00 -0.84 0.40 119.26 122.18 3hfa h ALA 511 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 511 Cb 0.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hfa h ALA 511 CO 0.08 0.25 0.13 1.49 0.00 0.00 0.00 179.25 181.20 3hfa h GLU 512 N 0.89 0.35 -0.56 0.00 4.81 -1.25 -0.85 114.58 117.98 3hfa h GLU 512 Ca 0.28 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3hfa h GLU 512 Cb -0.01 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 512 CO -0.10 0.33 0.33 -0.07 -0.73 0.00 0.00 179.01 178.77 3hfa h LEU 513 N 0.29 0.52 -0.69 1.64 4.07 -0.99 -1.69 115.31 118.46 3hfa h LEU 513 Ca 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3hfa h LEU 513 Cb 0.08 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 3hfa h LEU 513 CO -0.01 0.36 0.42 0.00 -1.08 0.00 0.00 178.44 178.13 3hfa h ALA 514 N 1.26 0.88 -0.69 1.53 0.00 -0.54 -0.90 119.26 120.80 3hfa h ALA 514 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 514 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hfa h ALA 514 CO -0.12 0.36 0.16 0.00 0.00 0.00 0.00 179.25 179.66 3hfa h ARG 515 N 0.95 1.10 -0.25 0.00 3.08 -0.82 -0.59 114.38 117.85 3hfa h ARG 515 Ca 0.25 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hfa h ARG 515 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3hfa h ARG 515 CO -0.05 0.97 0.07 0.00 -1.07 0.00 0.00 179.97 179.90 3hfa h ALA 516 N 1.12 0.32 -0.29 0.04 0.00 -0.87 0.13 119.26 119.72 3hfa h ALA 516 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 516 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hfa h ALA 516 CO 0.00 -0.04 0.07 0.82 0.00 0.00 0.00 179.25 180.09 3hfa h ILE 517 N 0.23 0.87 -0.10 0.00 2.04 -0.97 0.85 117.51 120.43 3hfa h ILE 517 Ca 0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hfa h ILE 517 Cb 0.24 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3hfa h ILE 517 CO -0.00 0.03 0.07 0.40 0.00 0.00 0.00 178.15 178.65 3hfa h ILE 518 N 0.18 1.03 -0.73 -0.67 2.04 -0.89 -2.04 117.51 116.42 3hfa h ILE 518 Ca 0.13 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3hfa h ILE 518 Cb 0.13 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3hfa h ILE 518 CO -0.17 0.03 0.48 -0.33 0.00 0.00 0.00 178.15 178.16 3hfa h GLU 519 N 0.13 0.94 -0.41 2.37 5.08 -0.51 -2.00 114.58 120.18 3hfa h GLU 519 Ca 0.04 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hfa h GLU 519 Cb -0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hfa h GLU 519 CO -0.01 0.62 0.27 1.03 -1.00 0.00 0.00 179.01 179.93 3hfa h SER 520 N 0.97 0.39 0.51 1.42 0.87 -0.50 -2.51 113.55 114.70 3hfa h SER 520 Ca 0.27 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3hfa h SER 520 Cb -0.08 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3hfa h SER 520 CO -0.07 0.27 -0.73 0.54 -0.53 0.00 0.00 176.83 176.31 3hfa n ARG 521 N -4.48 0.15 0.00 2.24 1.74 -0.80 -5.09 116.66 110.42 3hfa n ARG 521 Ca 0.04 0.02 0.16 0.00 -0.77 0.00 0.00 57.85 57.30 3hfa n ARG 521 Cb 0.14 -1.57 0.94 0.00 -1.02 0.00 0.00 32.46 30.96 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54