#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6a n ASP 330 N -0.26 5.88 -0.06 0.00 -0.08 -1.26 -3.87 116.55 116.90 1f6a n ASP 330 Ca 0.18 -2.73 0.01 0.00 -1.51 0.00 0.00 54.79 50.74 1f6a n ASP 330 Cb 0.73 -1.12 0.02 0.00 2.34 0.00 0.00 41.12 43.10 1f6a n ASP 330 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1f6a n SER 331 N 1.02 2.10 -2.70 1.67 3.41 -1.26 -4.77 113.62 113.10 1f6a n SER 331 Ca 0.17 -2.07 -0.10 0.00 -0.26 0.00 0.00 58.87 56.61 1f6a n SER 331 Cb 0.56 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1f6a n SER 331 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f6a n ASN 332 N -0.48 1.45 -3.05 4.04 4.13 -1.25 -4.74 115.26 115.36 1f6a n ASN 332 Ca 0.02 -2.75 -0.36 0.00 1.68 0.00 0.00 54.58 53.17 1f6a n ASN 332 Cb 0.29 -0.54 -0.03 0.00 -1.54 0.00 0.00 39.78 37.96 1f6a n ASN 332 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1f6a n PRO 333 N -0.04 0.00 -0.56 3.52 -0.02 -1.26 0.13 135.00 136.77 1f6a n PRO 333 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1f6a n PRO 333 Cb 0.81 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1f6a n PRO 333 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1f6a n ARG 334 N 0.81 -1.29 0.00 -0.52 3.00 -1.26 0.13 116.66 117.52 1f6a n ARG 334 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1f6a n ARG 334 Cb 0.13 -3.15 0.00 0.00 0.00 0.00 0.00 32.46 29.44 1f6a n ARG 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1f6a n GLY 335 N 0.00 2.53 3.59 5.14 0.00 0.34 -5.02 105.19 111.76 1f6a n GLY 335 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1f6a n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6a s VAL 336 N -2.67 3.24 0.42 1.61 1.01 0.35 -4.96 120.40 119.39 1f6a s VAL 336 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1f6a s VAL 336 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1f6a s VAL 336 CO 0.00 -0.27 0.63 -0.94 0.00 0.00 0.00 175.10 174.53 1f6a s SER 337 N 7.90 6.00 0.00 3.32 1.04 -1.16 -3.98 113.70 126.82 1f6a s SER 337 Ca 0.88 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 57.61 1f6a s SER 337 Cb -0.24 -1.71 -0.00 0.00 0.10 0.00 0.00 66.02 64.16 1f6a s SER 337 CO 0.32 -0.57 0.11 0.00 0.98 0.00 0.00 173.24 174.08 1f6a s ALA 338 N -2.48 -0.26 0.01 5.32 0.00 -1.26 -1.11 121.76 121.99 1f6a s ALA 338 Ca 0.46 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1f6a s ALA 338 Cb -0.10 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1f6a s ALA 338 CO 0.37 -0.19 -0.13 0.71 0.00 0.00 0.00 175.76 176.53 1f6a s TYR 339 N -1.29 1.13 -0.27 0.00 1.51 0.11 -4.96 117.35 113.57 1f6a s TYR 339 Ca -0.14 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1f6a s TYR 339 Cb -0.07 -0.70 0.08 0.00 -0.11 0.00 0.00 41.96 41.16 1f6a s TYR 339 CO 0.01 0.00 0.02 -1.17 -1.11 0.00 0.00 175.55 173.30 1f6a s LEU 340 N -0.72 2.81 0.38 -1.29 2.96 -1.26 0.61 118.68 122.18 1f6a s LEU 340 Ca 0.03 -1.48 -0.23 0.00 -0.22 0.00 0.00 54.13 52.22 1f6a s LEU 340 Cb -0.06 -1.14 -0.10 0.00 0.50 0.00 0.00 46.19 45.39 1f6a s LEU 340 CO 0.00 -0.32 0.96 -0.55 -1.32 0.00 0.00 176.35 175.12 1f6a s SER 341 N 1.39 7.06 0.10 3.68 0.15 0.51 -4.92 113.70 121.67 1f6a s SER 341 Ca 0.02 1.80 -0.07 0.00 0.70 0.00 0.00 55.95 58.40 1f6a s SER 341 Cb -0.18 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.51 1f6a s SER 341 CO -0.12 -0.27 0.38 0.00 1.20 0.00 0.00 173.24 174.43 1f6a s ARG 342 N -2.63 3.68 0.23 5.44 1.70 -1.26 -2.94 118.95 123.18 1f6a s ARG 342 Ca 0.57 0.04 -0.31 0.00 -0.47 0.00 0.00 55.73 55.56 1f6a s ARG 342 Cb -0.15 -2.94 -0.14 0.00 -0.57 0.00 0.00 34.95 31.15 1f6a s ARG 342 CO 0.19 0.53 1.30 -2.30 -1.08 0.00 0.00 175.30 173.95 1f6a n PRO 343 N 0.60 1.77 -2.63 3.89 -0.02 -1.26 -4.95 135.00 132.40 1f6a n PRO 343 Ca -0.06 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 1f6a n PRO 343 Cb 0.52 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1f6a n PRO 343 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f6a s SER 344 N 0.10 6.62 0.14 2.55 1.04 -1.26 -4.92 113.70 117.96 1f6a s SER 344 Ca 0.68 1.77 -0.31 0.00 0.48 0.00 0.00 55.95 58.57 1f6a s SER 344 Cb -0.70 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 62.81 1f6a s SER 344 CO 0.52 -0.59 1.56 -0.65 0.98 0.00 0.00 173.24 175.06 1f6a h PRO 345 N 1.59 -0.40 -0.03 4.02 0.11 -1.87 -1.52 132.00 133.89 1f6a h PRO 345 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1f6a h PRO 345 Cb 1.20 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1f6a h PRO 345 CO 0.60 -0.26 -0.04 0.35 -0.21 0.00 0.00 178.00 178.44 1f6a h PHE 346 N -0.41 -0.12 0.00 0.65 3.57 -1.87 0.34 116.94 119.09 1f6a h PHE 346 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1f6a h PHE 346 Cb 0.61 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1f6a h PHE 346 CO -0.65 -0.03 0.24 -0.25 -2.23 0.00 0.00 178.31 175.39 1f6a n ASP 347 N -2.92 0.11 -0.09 0.41 8.00 -1.05 -1.68 116.55 119.32 1f6a n ASP 347 Ca -0.00 0.37 -0.09 0.00 0.71 0.00 0.00 54.79 55.78 1f6a n ASP 347 Cb 0.02 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 1f6a n ASP 347 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1f6a n LEU 348 N -1.54 0.15 -0.05 0.64 7.94 0.96 -2.15 117.00 122.96 1f6a n LEU 348 Ca -0.00 -0.01 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1f6a n LEU 348 Cb 0.25 0.39 -0.04 0.00 0.53 0.00 0.00 43.42 44.55 1f6a n LEU 348 CO 0.02 0.47 -0.83 0.49 -1.11 0.00 0.00 177.39 176.43 1f6a n PHE 349 N -2.70 0.00 0.00 1.96 0.99 0.14 -4.26 117.46 113.59 1f6a n PHE 349 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.15 1f6a n PHE 349 Cb 1.09 -0.37 0.00 0.00 -1.00 0.00 0.00 39.48 39.20 1f6a n PHE 349 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1f6a n ILE 350 N -3.07 0.00 0.27 4.37 2.08 -0.73 -3.94 119.36 118.34 1f6a n ILE 350 Ca -0.18 0.19 0.05 0.00 0.56 0.00 0.00 62.75 63.37 1f6a n ILE 350 Cb 0.67 -0.47 0.29 0.00 -0.75 0.00 0.00 39.64 39.38 1f6a n ILE 350 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1f6a h ARG 351 N 0.00 0.00 -3.25 0.38 2.43 -1.78 -3.44 114.38 108.72 1f6a h ARG 351 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1f6a h ARG 351 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1f6a h ARG 351 CO 0.00 0.00 -0.12 1.63 -1.51 0.00 0.00 179.97 179.97 1f6a n LYS 352 N -2.39 -1.96 -3.50 0.20 5.02 -1.24 -4.86 118.16 109.44 1f6a n LYS 352 Ca -0.01 0.28 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 1f6a n LYS 352 Cb 0.66 -4.61 -0.11 0.00 -0.02 0.00 0.00 35.03 30.94 1f6a n LYS 352 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f6a s SER 353 N -1.75 2.51 0.39 4.39 1.04 -0.95 -4.85 113.70 114.48 1f6a s SER 353 Ca 0.00 -2.76 -0.20 0.00 0.48 0.00 0.00 55.95 53.47 1f6a s SER 353 Cb 0.00 -0.59 -0.10 0.00 0.10 0.00 0.00 66.02 65.42 1f6a s SER 353 CO 0.00 -0.23 0.89 -2.84 0.98 0.00 0.00 173.24 172.04 1f6a s PRO 354 N 0.34 4.20 -0.16 4.02 0.02 -0.91 -4.76 135.00 137.75 1f6a s PRO 354 Ca 0.25 1.01 -0.12 0.00 0.02 0.00 0.00 61.00 62.16 1f6a s PRO 354 Cb -0.10 -2.31 0.05 0.00 0.02 0.00 0.00 34.50 32.16 1f6a s PRO 354 CO -0.10 0.05 0.40 0.95 -0.33 0.00 0.00 177.00 177.97 1f6a s THR 355 N -2.07 -0.01 0.09 0.99 -4.23 -1.26 -1.37 115.64 107.78 1f6a s THR 355 Ca 0.59 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 1f6a s THR 355 Cb -0.10 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1f6a s THR 355 CO 0.15 0.02 0.19 0.27 -0.54 0.00 0.00 174.62 174.71 1f6a s ILE 356 N 0.66 5.12 -0.05 2.99 -4.36 -0.87 -4.28 121.20 120.41 1f6a s ILE 356 Ca -0.04 -0.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.78 1f6a s ILE 356 Cb -0.05 -3.53 0.01 0.00 1.25 0.00 0.00 42.46 40.14 1f6a s ILE 356 CO -0.04 0.06 -0.11 -0.89 0.24 0.00 0.00 174.94 174.20 1f6a s THR 357 N -1.56 0.98 -0.27 8.37 2.01 -1.15 -0.62 115.64 123.39 1f6a s THR 357 Ca 0.33 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1f6a s THR 357 Cb -0.12 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1f6a s THR 357 CO 0.26 0.31 0.12 0.00 -0.69 0.00 0.00 174.62 174.63 1f6a s LEU 359 N 1.65 2.49 -0.16 0.00 2.96 0.20 -1.30 118.68 124.53 1f6a s LEU 359 Ca 0.06 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1f6a s LEU 359 Cb -0.16 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1f6a s LEU 359 CO 0.06 -0.03 0.06 -0.69 -1.32 0.00 0.00 176.35 174.43 1f6a s VAL 360 N 1.33 4.74 0.23 1.68 1.01 0.40 0.09 120.40 129.89 1f6a s VAL 360 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1f6a s VAL 360 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1f6a s VAL 360 CO -0.09 0.50 -0.11 0.68 0.00 0.00 0.00 175.10 176.08 1f6a s VAL 361 N 0.08 1.63 -1.18 2.92 -7.23 -0.26 -1.84 120.40 114.52 1f6a s VAL 361 Ca 0.05 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1f6a s VAL 361 Cb -0.12 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1f6a s VAL 361 CO 0.01 -0.49 0.00 0.47 -0.31 0.00 0.00 175.10 174.77 1f6a n ASP 362 N -0.44 -4.29 -4.81 4.85 8.00 -1.26 -3.01 116.55 115.60 1f6a n ASP 362 Ca -0.07 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 1f6a n ASP 362 Cb 0.62 -2.87 0.03 0.00 -0.02 0.00 0.00 41.12 38.87 1f6a n ASP 362 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f6a s LEU 363 N -2.65 3.37 0.00 0.64 1.43 -1.01 -4.69 118.68 115.76 1f6a s LEU 363 Ca 0.00 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1f6a s LEU 363 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1f6a s LEU 363 CO 0.00 -1.28 -0.08 0.00 0.23 0.00 0.00 176.35 175.22 1f6a s ALA 364 N -2.65 2.97 0.51 4.21 0.00 -1.26 -1.78 121.76 123.75 1f6a s ALA 364 Ca 0.62 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 1f6a s ALA 364 Cb -0.15 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.79 1f6a s ALA 364 CO 0.43 0.61 1.00 -0.35 0.00 0.00 0.00 175.76 177.44 1f6a n PRO 365 N 1.60 1.17 -3.77 0.00 -0.04 -1.26 -4.95 135.00 127.75 1f6a n PRO 365 Ca -0.16 0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1f6a n PRO 365 Cb 0.52 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 1f6a n PRO 365 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1f6a s SER 366 N -0.97 -0.31 0.14 3.54 1.04 -1.26 -5.06 113.70 110.83 1f6a s SER 366 Ca 0.69 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 1f6a s SER 366 Cb -0.48 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1f6a s SER 366 CO 0.52 -1.24 1.76 0.11 0.98 0.00 0.00 173.24 175.37 1f6a h LYS 367 N 2.00 0.25 -6.06 4.02 1.57 -2.08 -3.43 116.57 112.85 1f6a h LYS 367 Ca -0.22 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 57.99 1f6a h LYS 367 Cb 1.26 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1f6a h LYS 367 CO 0.26 0.17 -0.48 0.20 -0.57 0.00 0.00 179.45 179.03 1f6a s GLY 368 N -2.58 1.75 0.65 3.86 0.00 -1.26 -5.11 107.32 104.63 1f6a s GLY 368 Ca -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.51 1f6a s GLY 368 CO 0.70 -1.04 0.93 -0.51 0.00 0.00 0.00 173.10 173.18 1f6a s THR 369 N -1.72 2.54 0.60 0.90 -4.23 -1.26 -5.06 115.64 107.40 1f6a s THR 369 Ca 0.34 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.38 1f6a s THR 369 Cb -0.11 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1f6a s THR 369 CO 0.28 -0.05 0.57 1.33 -0.54 0.00 0.00 174.62 176.22 1f6a n VAL 370 N -2.71 0.00 -3.48 2.29 0.24 -1.26 -4.98 118.33 108.44 1f6a n VAL 370 Ca 0.08 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.34 61.81 1f6a n VAL 370 Cb 0.60 -1.24 -0.11 0.00 -1.47 0.00 0.00 33.84 31.63 1f6a n VAL 370 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1f6a s ASN 371 N -3.08 2.09 0.21 -1.34 3.84 -1.09 -4.99 114.94 110.58 1f6a s ASN 371 Ca 0.36 -3.09 -0.30 0.00 0.21 0.00 0.00 52.86 50.04 1f6a s ASN 371 Cb -0.03 -0.62 -0.08 0.00 -0.55 0.00 0.00 41.25 39.97 1f6a s ASN 371 CO 0.27 -0.17 1.00 -0.22 -2.79 0.00 0.00 177.10 175.19 1f6a s LEU 372 N -0.06 4.58 -0.09 3.21 1.98 -1.26 -3.12 118.68 123.91 1f6a s LEU 372 Ca 0.30 2.00 -0.04 0.00 -2.89 0.00 0.00 54.13 53.50 1f6a s LEU 372 Cb -0.00 -3.61 0.05 0.00 0.66 0.00 0.00 46.19 43.29 1f6a s LEU 372 CO -0.17 0.00 0.20 -0.89 -1.89 0.00 0.00 176.35 173.60 1f6a s THR 373 N -0.81 -0.20 0.04 3.68 2.01 -0.62 -4.99 115.64 114.75 1f6a s THR 373 Ca 0.44 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 1f6a s THR 373 Cb -0.27 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 1f6a s THR 373 CO 0.34 0.11 0.36 0.26 -0.69 0.00 0.00 174.62 174.99 1f6a s TRP 374 N 1.84 3.60 -0.03 4.92 0.52 -1.26 -1.42 118.94 127.11 1f6a s TRP 374 Ca -0.03 0.75 -0.26 0.00 0.02 0.00 0.00 56.10 56.58 1f6a s TRP 374 Cb -0.12 -2.12 0.06 0.00 -1.15 0.00 0.00 33.47 30.14 1f6a s TRP 374 CO -0.07 0.57 0.57 -1.54 0.02 0.00 0.00 176.95 176.50 1f6a s SER 375 N -1.63 -0.52 0.11 2.95 1.04 -0.95 -4.94 113.70 109.76 1f6a s SER 375 Ca 0.30 0.49 0.04 0.00 0.48 0.00 0.00 55.95 57.25 1f6a s SER 375 Cb -0.14 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1f6a s SER 375 CO 0.16 -0.59 0.12 -0.13 0.98 0.00 0.00 173.24 173.78 1f6a s ARG 376 N -1.42 2.95 0.27 4.02 0.52 -1.26 -0.97 118.95 123.06 1f6a s ARG 376 Ca -0.11 -0.73 0.13 0.00 -0.52 0.00 0.00 55.73 54.50 1f6a s ARG 376 Cb -0.01 -2.73 0.30 0.00 0.52 0.00 0.00 34.95 33.02 1f6a s ARG 376 CO 0.07 0.54 1.56 0.00 0.02 0.00 0.00 175.30 177.48 1f6a h ALA 377 N 2.90 0.81 0.00 2.13 0.00 -1.39 -2.95 119.26 120.76 1f6a h ALA 377 Ca -0.47 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 1f6a h ALA 377 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1f6a h ALA 377 CO 0.66 0.76 -0.06 0.66 0.00 0.00 0.00 179.25 181.26 1f6a h SER 378 N 0.00 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 112.77 1f6a h SER 378 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1f6a h SER 378 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1f6a h SER 378 CO 0.08 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1f6a n GLY 379 N -0.05 2.38 3.75 -0.77 0.00 -1.12 -5.04 105.19 104.34 1f6a n GLY 379 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1f6a n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6a s LYS 380 N -0.84 4.30 1.02 1.61 1.02 -1.26 -4.93 119.74 120.67 1f6a s LYS 380 Ca 0.00 2.24 -0.20 0.00 0.02 0.00 0.00 55.97 58.04 1f6a s LYS 380 Cb 0.00 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1f6a s LYS 380 CO 0.00 -0.36 -0.55 -2.30 -0.92 0.00 0.00 175.35 171.23 1f6a n PRO 381 N 2.18 -0.52 -4.25 -1.68 -0.02 -1.26 -4.47 135.00 124.98 1f6a n PRO 381 Ca 0.06 -0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.20 1f6a n PRO 381 Cb 0.41 -1.37 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 1f6a n PRO 381 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1f6a s VAL 382 N -2.15 1.28 1.11 -1.45 -7.23 -1.26 -4.94 120.40 105.77 1f6a s VAL 382 Ca 0.47 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1f6a s VAL 382 Cb -0.09 -1.20 0.25 0.00 0.56 0.00 0.00 36.38 35.91 1f6a s VAL 382 CO 0.70 -0.13 1.05 0.20 -0.31 0.00 0.00 175.10 176.61 1f6a s ASN 383 N -1.66 1.46 0.42 4.85 0.02 -1.26 -4.96 114.94 113.80 1f6a s ASN 383 Ca 0.01 1.55 -0.24 0.00 -1.02 0.00 0.00 52.86 53.16 1f6a s ASN 383 Cb -0.10 -2.27 -0.09 0.00 0.02 0.00 0.00 41.25 38.81 1f6a s ASN 383 CO 0.03 -3.91 1.07 -1.00 0.02 0.00 0.00 177.10 173.31 1f6a s HIS 384 N -2.56 3.17 0.47 2.20 3.76 -1.26 -4.91 115.29 116.17 1f6a s HIS 384 Ca 0.68 1.62 0.08 0.00 -0.15 0.00 0.00 55.06 57.28 1f6a s HIS 384 Cb -0.24 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.29 1f6a s HIS 384 CO 0.63 -0.82 0.48 -1.54 -0.85 0.00 0.00 174.74 172.64 1f6a s SER 385 N -1.54 5.04 0.33 1.40 1.04 -1.26 -4.51 113.70 114.20 1f6a s SER 385 Ca 0.59 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 56.26 1f6a s SER 385 Cb -0.23 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1f6a s SER 385 CO 0.29 -0.89 0.33 -0.89 0.98 0.00 0.00 173.24 173.05 1f6a s THR 386 N -2.56 3.71 -0.29 2.02 2.01 -0.49 -4.98 115.64 115.06 1f6a s THR 386 Ca 0.48 -1.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 1f6a s THR 386 Cb -0.04 -3.25 0.13 0.00 0.01 0.00 0.00 72.50 69.34 1f6a s THR 386 CO 0.29 -0.18 0.85 -0.60 -0.69 0.00 0.00 174.62 174.29 1f6a s ARG 387 N -4.03 0.49 0.02 4.92 3.52 -1.26 -3.54 118.95 119.07 1f6a s ARG 387 Ca 0.41 0.94 0.05 0.00 -0.13 0.00 0.00 55.73 57.00 1f6a s ARG 387 Cb -0.07 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1f6a s ARG 387 CO 0.27 -0.12 -0.14 0.15 -0.81 0.00 0.00 175.30 174.66 1f6a s LYS 388 N 1.81 0.99 -0.36 5.12 1.02 -0.50 -5.00 119.74 122.83 1f6a s LYS 388 Ca -0.08 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1f6a s LYS 388 Cb -0.06 -0.98 0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1f6a s LYS 388 CO -0.17 0.26 0.11 -1.21 -0.92 0.00 0.00 175.35 173.42 1f6a s GLU 389 N -0.78 1.23 -0.43 1.68 2.02 -1.26 -1.59 118.70 119.57 1f6a s GLU 389 Ca 0.03 -1.68 -0.18 0.00 0.02 0.00 0.00 54.97 53.16 1f6a s GLU 389 Cb -0.07 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.53 1f6a s GLU 389 CO 0.00 -1.00 0.47 -1.21 0.02 0.00 0.00 175.26 173.54 1f6a s GLU 390 N 0.96 3.10 0.05 1.61 2.02 -0.88 -4.92 118.70 120.65 1f6a s GLU 390 Ca 0.12 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 1f6a s GLU 390 Cb -0.20 -3.99 -0.09 0.00 0.10 0.00 0.00 34.13 29.96 1f6a s GLU 390 CO -0.12 -0.91 1.87 0.21 0.02 0.00 0.00 175.26 176.33 1f6a s LYS 391 N 2.21 4.15 0.65 1.61 2.20 -1.26 -2.40 119.74 126.90 1f6a s LYS 391 Ca 0.13 2.53 -0.04 0.00 -0.36 0.00 0.00 55.97 58.22 1f6a s LYS 391 Cb -0.17 -3.96 0.05 0.00 -1.51 0.00 0.00 37.83 32.24 1f6a s LYS 391 CO 0.14 -0.90 0.94 -0.65 -0.36 0.00 0.00 175.35 174.52 1f6a s GLN 392 N 3.84 2.34 0.21 4.03 -1.52 -1.19 -4.96 119.66 122.41 1f6a s GLN 392 Ca 0.83 -0.39 -0.08 0.00 -1.95 0.00 0.00 55.36 53.78 1f6a s GLN 392 Cb -0.42 -2.27 0.15 0.00 -0.22 0.00 0.00 33.01 30.25 1f6a s GLN 392 CO 0.38 -1.05 1.73 -0.09 -0.25 0.00 0.00 175.29 176.00 1f6a h ARG 393 N -0.38 1.12 -1.18 2.91 9.65 -1.93 -3.15 114.38 121.42 1f6a h ARG 393 Ca -0.44 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1f6a h ARG 393 Cb 1.31 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1f6a h ARG 393 CO 0.58 0.98 0.00 0.27 2.80 0.00 0.00 179.97 184.60 1f6a n ASN 394 N -4.23 2.51 0.00 -3.80 0.23 -1.26 -4.78 115.26 103.93 1f6a n ASN 394 Ca 0.05 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 1f6a n ASN 394 Cb 0.26 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1f6a n ASN 394 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f6a n GLY 395 N 0.60 2.55 0.00 4.83 0.00 -1.19 -4.97 105.19 107.01 1f6a n GLY 395 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f6a n GLY 395 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1f6a n THR 396 N -1.87 0.00 -3.64 2.61 5.66 -1.26 -4.68 114.28 111.09 1f6a n THR 396 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1f6a n THR 396 Cb 0.00 -1.09 -0.06 0.00 -1.55 0.00 0.00 70.33 67.63 1f6a n THR 396 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1f6a s LEU 397 N 0.00 -1.02 0.20 1.09 2.96 -0.74 -3.18 118.68 117.99 1f6a s LEU 397 Ca 0.00 1.53 0.07 0.00 -0.22 0.00 0.00 54.13 55.51 1f6a s LEU 397 Cb 0.00 2.34 -0.04 0.00 0.50 0.00 0.00 46.19 49.00 1f6a s LEU 397 CO 0.00 -0.23 0.11 -0.89 -1.32 0.00 0.00 176.35 174.02 1f6a s THR 398 N 2.14 4.22 -0.05 3.68 2.01 -1.01 -2.41 115.64 124.22 1f6a s THR 398 Ca -0.08 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1f6a s THR 398 Cb -0.08 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1f6a s THR 398 CO -0.20 -0.21 0.08 -0.69 -0.69 0.00 0.00 174.62 172.92 1f6a s VAL 399 N -1.92 -0.12 0.07 3.82 1.01 -0.76 -2.06 120.40 120.44 1f6a s VAL 399 Ca 0.31 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1f6a s VAL 399 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1f6a s VAL 399 CO 0.23 0.13 -0.23 0.42 0.00 0.00 0.00 175.10 175.65 1f6a s THR 400 N 1.75 1.86 -0.09 3.92 -4.23 -0.62 -0.45 115.64 117.77 1f6a s THR 400 Ca -0.01 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1f6a s THR 400 Cb -0.12 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1f6a s THR 400 CO -0.04 0.15 0.18 -0.55 -0.54 0.00 0.00 174.62 173.82 1f6a s SER 401 N -1.50 0.52 -0.02 3.99 0.15 -0.42 -1.41 113.70 115.01 1f6a s SER 401 Ca 0.09 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1f6a s SER 401 Cb -0.09 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1f6a s SER 401 CO 0.03 -0.23 0.03 -0.89 1.20 0.00 0.00 173.24 173.38 1f6a s THR 402 N 2.11 4.36 -0.06 6.45 2.01 -1.23 -0.72 115.64 128.57 1f6a s THR 402 Ca 0.01 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1f6a s THR 402 Cb -0.12 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1f6a s THR 402 CO -0.06 0.41 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.96 1f6a s LEU 403 N -1.48 1.59 0.26 4.42 2.96 0.21 -1.39 118.68 125.24 1f6a s LEU 403 Ca 0.19 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.55 1f6a s LEU 403 Cb -0.12 -0.72 -0.09 0.00 0.50 0.00 0.00 46.19 45.76 1f6a s LEU 403 CO 0.10 0.02 1.26 -2.84 -1.32 0.00 0.00 176.35 173.57 1f6a s PRO 404 N 0.67 4.43 -0.03 0.98 0.02 -1.26 -2.05 135.00 137.77 1f6a s PRO 404 Ca -0.13 2.04 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1f6a s PRO 404 Cb -0.15 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.22 1f6a s PRO 404 CO 0.03 -0.13 -0.06 0.08 -0.33 0.00 0.00 177.00 176.58 1f6a s VAL 405 N -0.54 0.60 -0.19 3.83 1.01 -0.47 -4.64 120.40 119.99 1f6a s VAL 405 Ca 0.52 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1f6a s VAL 405 Cb -0.36 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1f6a s VAL 405 CO 0.43 0.21 2.20 -0.83 0.00 0.00 0.00 175.10 177.11 1f6a s GLY 406 N 0.42 0.59 0.36 4.51 0.00 -1.26 -4.22 107.32 107.72 1f6a s GLY 406 Ca -0.06 0.83 0.17 0.00 0.00 0.00 0.00 44.72 45.66 1f6a s GLY 406 CO 0.00 3.78 1.66 -0.84 0.00 0.00 0.00 173.10 177.70 1f6a h THR 407 N 7.01 0.27 0.06 0.90 2.02 -1.92 -2.43 112.91 118.82 1f6a h THR 407 Ca -0.42 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1f6a h THR 407 Cb 1.24 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1f6a h THR 407 CO 0.96 0.05 -0.03 0.03 0.37 0.00 0.00 175.52 176.90 1f6a h ARG 408 N 0.28 -0.07 -0.67 6.66 -0.00 -1.97 -3.23 114.38 115.37 1f6a h ARG 408 Ca 0.75 0.00 0.15 0.00 -0.50 0.00 0.00 59.98 60.38 1f6a h ARG 408 Cb 1.80 0.02 -0.13 0.00 0.00 0.00 0.00 29.97 31.66 1f6a h ARG 408 CO -0.59 -0.05 -0.11 -0.25 0.00 0.00 0.00 179.97 178.97 1f6a n ASP 409 N -2.30 -0.19 0.36 7.04 8.00 -0.94 -0.84 116.55 127.67 1f6a n ASP 409 Ca -0.01 1.14 -0.18 0.00 0.71 0.00 0.00 54.79 56.45 1f6a n ASP 409 Cb 0.03 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 1f6a n ASP 409 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1f6a h TRP 410 N 0.00 -1.10 -0.24 1.24 2.91 -1.58 -2.39 115.95 114.78 1f6a h TRP 410 Ca 0.35 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.43 1f6a h TRP 410 Cb 0.59 0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1f6a h TRP 410 CO -0.46 -0.62 0.19 0.82 -1.03 0.00 0.00 178.44 177.34 1f6a h ILE 411 N -1.00 0.75 -0.15 2.65 2.04 -1.01 -0.42 117.51 120.37 1f6a h ILE 411 Ca -0.08 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1f6a h ILE 411 Cb 0.82 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1f6a h ILE 411 CO 0.07 0.00 0.10 -0.62 0.00 0.00 0.00 178.15 177.70 1f6a n GLU 412 N -4.27 1.20 -0.92 2.37 1.02 -0.86 -4.84 120.64 114.34 1f6a n GLU 412 Ca 0.03 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 1f6a n GLU 412 Cb 0.34 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1f6a n GLU 412 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f6a n GLY 413 N 0.27 0.38 3.26 0.62 0.00 -0.17 -5.01 105.19 104.55 1f6a n GLY 413 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1f6a n GLY 413 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f6a n GLU 414 N -1.52 -0.99 -3.71 1.61 4.07 -0.94 -4.74 120.64 114.41 1f6a n GLU 414 Ca 0.00 -0.27 -0.18 0.00 -0.06 0.00 0.00 57.16 56.65 1f6a n GLU 414 Cb 0.14 -1.62 -0.17 0.00 -0.06 0.00 0.00 31.44 29.73 1f6a n GLU 414 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1f6a s THR 415 N -2.24 -0.11 0.06 6.31 -1.32 -1.26 -4.31 115.64 112.78 1f6a s THR 415 Ca 0.53 0.34 0.04 0.00 -1.21 0.00 0.00 61.69 61.39 1f6a s THR 415 Cb -0.12 -0.15 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 1f6a s THR 415 CO 0.67 0.14 -0.00 -0.31 -2.21 0.00 0.00 174.62 172.92 1f6a s TYR 416 N 1.78 3.01 -0.01 9.09 1.51 -0.98 -0.92 117.35 130.84 1f6a s TYR 416 Ca -0.01 0.00 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1f6a s TYR 416 Cb -0.12 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1f6a s TYR 416 CO -0.04 0.47 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.69 1f6a s GLN 417 N -2.07 0.38 -0.21 -0.62 0.74 -0.15 -1.63 119.66 116.10 1f6a s GLN 417 Ca 0.24 -0.16 -0.06 0.00 0.05 0.00 0.00 55.36 55.43 1f6a s GLN 417 Cb -0.12 -0.38 -0.03 0.00 1.10 0.00 0.00 33.01 33.59 1f6a s GLN 417 CO 0.16 0.09 0.03 0.00 -0.55 0.00 0.00 175.29 175.01 1f6a s ARG 419 N 1.12 1.87 0.05 0.00 3.52 -0.51 -2.07 118.95 122.93 1f6a s ARG 419 Ca 0.03 -1.53 -0.03 0.00 -0.13 0.00 0.00 55.73 54.08 1f6a s ARG 419 Cb -0.14 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1f6a s ARG 419 CO 0.02 -0.73 0.24 0.14 -0.81 0.00 0.00 175.30 174.17 1f6a s VAL 420 N 1.05 5.35 -0.22 7.11 -7.23 0.27 -1.60 120.40 125.13 1f6a s VAL 420 Ca -0.01 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1f6a s VAL 420 Cb -0.19 -3.59 0.11 0.00 0.56 0.00 0.00 36.38 33.26 1f6a s VAL 420 CO -0.07 0.21 0.43 -0.89 -0.31 0.00 0.00 175.10 174.48 1f6a s THR 421 N -1.45 -0.68 0.02 5.32 2.01 -1.18 -1.50 115.64 118.17 1f6a s THR 421 Ca 0.33 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1f6a s THR 421 Cb -0.13 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1f6a s THR 421 CO 0.23 0.01 -0.01 -2.28 -0.69 0.00 0.00 174.62 171.88 1f6a s HIS 422 N 2.63 0.21 0.31 4.92 2.46 -1.26 -2.66 115.29 121.91 1f6a s HIS 422 Ca 0.03 -0.44 0.07 0.00 0.47 0.00 0.00 55.06 55.18 1f6a s HIS 422 Cb -0.13 -0.16 0.86 0.00 -0.13 0.00 0.00 32.58 33.03 1f6a s HIS 422 CO -0.14 -0.19 1.63 -1.35 -2.47 0.00 0.00 174.74 172.22 1f6a h PRO 423 N 4.73 0.18 0.00 2.88 0.11 -1.97 1.19 132.00 139.12 1f6a h PRO 423 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1f6a h PRO 423 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1f6a h PRO 423 CO 0.42 0.12 0.00 0.72 -0.21 0.00 0.00 178.00 179.05 1f6a n HIS 424 N -5.23 0.65 -4.09 0.65 8.25 -1.26 -4.63 115.22 109.55 1f6a n HIS 424 Ca 0.26 0.34 -0.36 0.00 -0.26 0.00 0.00 57.72 57.70 1f6a n HIS 424 Cb 0.82 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 1f6a n HIS 424 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f6a s LEU 425 N -4.34 3.94 0.00 2.41 1.43 0.41 -4.88 118.68 117.65 1f6a s LEU 425 Ca -0.02 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1f6a s LEU 425 Cb 0.06 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1f6a s LEU 425 CO 0.17 0.33 0.19 -0.81 0.23 0.00 0.00 176.35 176.47 1f6a n PRO 426 N 2.47 0.00 -2.51 1.29 -0.04 -1.26 -4.77 135.00 130.18 1f6a n PRO 426 Ca -0.19 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.17 1f6a n PRO 426 Cb 0.54 -0.79 0.03 0.00 -0.04 0.00 0.00 33.50 33.24 1f6a n PRO 426 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1f6a s ARG 427 N -0.67 2.80 0.61 0.54 1.70 -1.26 -5.08 118.95 117.59 1f6a s ARG 427 Ca 0.00 -0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 1f6a s ARG 427 Cb 0.00 -2.34 0.01 0.00 -0.57 0.00 0.00 34.95 32.05 1f6a s ARG 427 CO 0.00 -0.69 0.92 0.00 -1.08 0.00 0.00 175.30 174.45 1f6a s ALA 428 N -2.91 3.26 -0.13 7.88 0.00 -1.26 -4.85 121.76 123.74 1f6a s ALA 428 Ca 0.54 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1f6a s ALA 428 Cb -0.10 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1f6a s ALA 428 CO 0.43 -0.85 -0.09 -1.17 0.00 0.00 0.00 175.76 174.08 1f6a s LEU 429 N -5.03 2.97 0.03 0.00 0.20 -0.56 -4.84 118.68 111.44 1f6a s LEU 429 Ca 0.54 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.15 1f6a s LEU 429 Cb -0.11 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1f6a s LEU 429 CO 0.46 0.18 -0.04 -0.04 -0.29 0.00 0.00 176.35 176.62 1f6a s MET 430 N 0.25 0.42 -0.04 1.98 -1.94 -1.26 -0.56 119.30 118.15 1f6a s MET 430 Ca -0.06 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 52.88 1f6a s MET 430 Cb -0.15 0.07 0.05 0.00 2.01 0.00 0.00 34.83 36.81 1f6a s MET 430 CO 0.04 -0.05 0.56 1.03 -0.01 0.00 0.00 175.02 176.59 1f6a s ARG 431 N -2.08 0.93 0.20 2.03 0.52 -0.88 -5.00 118.95 114.68 1f6a s ARG 431 Ca -0.09 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1f6a s ARG 431 Cb -0.06 0.43 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 1f6a s ARG 431 CO -0.03 -0.28 0.20 -1.54 0.02 0.00 0.00 175.30 173.67 1f6a s SER 432 N -1.23 0.11 -0.12 0.23 1.04 -1.26 -0.43 113.70 112.04 1f6a s SER 432 Ca -0.12 -1.26 -0.30 0.00 0.48 0.00 0.00 55.95 54.75 1f6a s SER 432 Cb -0.02 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1f6a s SER 432 CO 0.08 -0.89 0.89 0.28 0.98 0.00 0.00 173.24 174.58 1f6a s THR 433 N -4.11 0.00 0.26 2.02 -1.32 -0.64 -5.01 115.64 106.84 1f6a s THR 433 Ca 0.33 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.67 1f6a s THR 433 Cb 0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1f6a s THR 433 CO 0.10 0.00 0.56 0.42 -2.21 0.00 0.00 174.62 173.49 1f6a s THR 434 N -1.15 0.00 0.02 5.08 -4.23 -1.26 -2.33 115.64 111.76 1f6a s THR 434 Ca -0.05 -1.29 -0.39 0.00 -1.18 0.00 0.00 61.69 58.79 1f6a s THR 434 Cb -0.00 -2.18 -0.18 0.00 1.34 0.00 0.00 72.50 71.47 1f6a s THR 434 CO 0.04 0.00 1.23 1.17 -0.54 0.00 0.00 174.62 176.52 1f6a n LYS 435 N -0.41 0.56 -1.95 3.99 4.81 -1.26 -4.88 118.16 119.00 1f6a n LYS 435 Ca -0.02 0.20 -0.39 0.00 -0.87 0.00 0.00 58.31 57.22 1f6a n LYS 435 Cb 0.61 -1.77 0.01 0.00 0.02 0.00 0.00 35.03 33.90 1f6a n LYS 435 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1f6a s THR 436 N 0.39 2.41 0.52 3.15 2.01 -1.26 -5.01 115.64 117.85 1f6a s THR 436 Ca 0.89 0.35 0.03 0.00 0.31 0.00 0.00 61.69 63.27 1f6a s THR 436 Cb -1.13 -3.20 0.10 0.00 0.01 0.00 0.00 72.50 68.28 1f6a s THR 436 CO 0.53 0.04 0.71 -1.54 -0.69 0.00 0.00 174.62 173.67 1f6a n SER 437 N -0.14 1.32 0.00 3.53 3.41 -1.26 -4.98 113.62 115.50 1f6a n SER 437 Ca 0.05 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1f6a n SER 437 Cb 0.43 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1f6a n SER 437 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6a n GLY 438 N -0.77 -1.18 3.76 5.00 0.00 -1.26 -4.85 105.19 105.90 1f6a n GLY 438 Ca 0.13 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1f6a n GLY 438 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f6a s PRO 439 N 0.00 4.51 -0.51 1.61 0.04 -1.26 -5.01 135.00 134.37 1f6a s PRO 439 Ca 0.00 1.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1f6a s PRO 439 Cb 0.00 -3.31 0.11 0.00 0.04 0.00 0.00 34.50 31.34 1f6a s PRO 439 CO 0.00 0.44 0.45 1.03 0.04 0.00 0.00 177.00 178.95 1f6a s ARG 440 N -0.61 2.91 -0.20 4.56 1.81 -1.26 -4.21 118.95 121.95 1f6a s ARG 440 Ca 0.37 -1.63 -0.04 0.00 -1.72 0.00 0.00 55.73 52.71 1f6a s ARG 440 Cb -0.22 -4.20 -0.02 0.00 -0.45 0.00 0.00 34.95 30.07 1f6a s ARG 440 CO 0.24 -1.23 -0.02 0.00 -0.68 0.00 0.00 175.30 173.61 1f6a s ALA 441 N 1.57 2.94 0.99 2.13 0.00 -0.28 -4.94 121.76 124.17 1f6a s ALA 441 Ca 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1f6a s ALA 441 Cb -0.28 -1.73 0.14 0.00 0.00 0.00 0.00 23.12 21.25 1f6a s ALA 441 CO 0.03 -0.23 0.82 0.00 0.00 0.00 0.00 175.76 176.39 1f6a n ALA 442 N 4.41 -1.95 -2.16 0.00 0.00 -1.26 -1.38 120.51 118.17 1f6a n ALA 442 Ca -0.17 -0.74 -0.33 0.00 0.00 0.00 0.00 53.44 52.20 1f6a n ALA 442 Cb 0.52 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1f6a n ALA 442 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1f6a s PRO 443 N -4.22 4.01 -0.18 0.00 0.02 -1.26 -4.12 135.00 129.25 1f6a s PRO 443 Ca 0.63 0.65 -0.00 0.00 0.02 0.00 0.00 61.00 62.30 1f6a s PRO 443 Cb -0.22 -2.50 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1f6a s PRO 443 CO 0.63 0.20 -0.15 -1.21 -0.33 0.00 0.00 177.00 176.13 1f6a s GLU 444 N -2.86 3.14 -0.01 5.54 2.02 -0.72 -4.95 118.70 120.84 1f6a s GLU 444 Ca 0.52 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.82 1f6a s GLU 444 Cb -0.11 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1f6a s GLU 444 CO 0.18 -0.14 -0.23 0.54 0.02 0.00 0.00 175.26 175.63 1f6a s VAL 445 N 1.20 1.82 -0.06 2.63 0.11 -1.26 -0.60 120.40 124.23 1f6a s VAL 445 Ca 0.02 -1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1f6a s VAL 445 Cb -0.14 -1.51 0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1f6a s VAL 445 CO -0.07 0.49 0.04 -0.31 -3.33 0.00 0.00 175.10 171.92 1f6a s TYR 446 N -0.56 0.29 0.02 1.54 1.51 -0.70 -4.85 117.35 114.59 1f6a s TYR 446 Ca 0.09 0.05 -0.09 0.00 -1.01 0.00 0.00 57.07 56.12 1f6a s TYR 446 Cb -0.09 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1f6a s TYR 446 CO -0.01 -0.27 0.31 0.00 -1.11 0.00 0.00 175.55 174.48 1f6a s ALA 447 N 2.10 3.80 0.05 3.71 0.00 -1.26 -2.18 121.76 127.97 1f6a s ALA 447 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1f6a s ALA 447 Cb -0.13 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 1f6a s ALA 447 CO -0.04 0.60 0.01 1.19 0.00 0.00 0.00 175.76 177.52 1f6a n PHE 448 N 1.21 0.03 -3.64 0.00 3.01 -0.18 -4.94 117.46 112.96 1f6a n PHE 448 Ca -0.11 -0.29 -0.03 0.00 1.01 0.00 0.00 57.45 58.03 1f6a n PHE 448 Cb 0.53 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1f6a n PHE 448 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f6a s ALA 449 N -2.12 -2.26 0.58 4.37 0.00 -1.26 -3.89 121.76 117.18 1f6a s ALA 449 Ca 0.02 2.22 -0.17 0.00 0.00 0.00 0.00 51.96 54.03 1f6a s ALA 449 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1f6a s ALA 449 CO 0.01 -0.37 1.07 0.99 0.00 0.00 0.00 175.76 177.46 1f6a s THR 450 N 1.40 3.68 0.31 0.00 2.01 -0.70 -5.05 115.64 117.30 1f6a s THR 450 Ca -0.09 0.85 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1f6a s THR 450 Cb -0.04 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1f6a s THR 450 CO -0.15 -0.41 0.58 -2.84 -0.69 0.00 0.00 174.62 171.10 1f6a s PRO 451 N -3.87 3.61 1.12 4.92 0.02 -1.26 -4.72 135.00 134.83 1f6a s PRO 451 Ca 0.65 -0.01 -0.14 0.00 0.02 0.00 0.00 61.00 61.53 1f6a s PRO 451 Cb -0.17 -2.62 0.21 0.00 0.02 0.00 0.00 34.50 31.93 1f6a s PRO 451 CO 0.34 0.17 0.73 -0.85 -0.33 0.00 0.00 177.00 177.05 1f6a n GLU 452 N -1.14 -1.85 -3.81 5.54 0.28 -1.26 -4.96 120.64 113.44 1f6a n GLU 452 Ca -0.02 -0.51 -0.12 0.00 -0.16 0.00 0.00 57.16 56.35 1f6a n GLU 452 Cb 0.54 -2.05 -0.12 0.00 1.43 0.00 0.00 31.44 31.24 1f6a n GLU 452 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1f6a s TRP 453 N -2.39 -0.18 0.65 -1.84 -0.11 -1.24 -5.03 118.94 108.79 1f6a s TRP 453 Ca 0.64 0.44 0.10 0.00 1.22 0.00 0.00 56.10 58.51 1f6a s TRP 453 Cb -0.21 0.06 0.47 0.00 -1.50 0.00 0.00 33.47 32.28 1f6a s TRP 453 CO 0.65 -0.09 1.23 -1.35 -4.62 0.00 0.00 176.95 172.76 1f6a h PRO 454 N 5.94 0.00 -0.37 5.86 0.11 -2.02 -0.18 132.00 141.33 1f6a h PRO 454 Ca -0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 1f6a h PRO 454 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1f6a h PRO 454 CO 0.41 0.00 -0.16 0.78 -0.21 0.00 0.00 178.00 178.82 1f6a h GLY 455 N 0.00 0.83 -4.97 -0.55 0.00 -2.01 -3.45 103.07 92.92 1f6a h GLY 455 Ca 0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1f6a h GLY 455 CO -0.00 0.67 -0.19 -1.35 0.00 0.00 0.00 176.54 175.66 1f6a s SER 456 N -6.45 -0.41 0.00 0.19 1.04 -0.08 -5.05 113.70 102.94 1f6a s SER 456 Ca -0.12 0.69 0.14 0.00 0.48 0.00 0.00 55.95 57.13 1f6a s SER 456 Cb 0.10 0.73 0.27 0.00 0.10 0.00 0.00 66.02 67.23 1f6a s SER 456 CO 0.82 -0.25 1.17 0.54 0.98 0.00 0.00 173.24 176.50 1f6a n ARG 457 N 2.35 2.07 -0.27 4.02 1.74 -1.26 -3.71 116.66 121.59 1f6a n ARG 457 Ca -0.16 -1.85 0.05 0.00 -0.77 0.00 0.00 57.85 55.13 1f6a n ARG 457 Cb 0.57 -1.31 0.07 0.00 -1.02 0.00 0.00 32.46 30.76 1f6a n ARG 457 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f6a n ASP 458 N 0.79 1.17 -3.76 0.55 8.00 -1.26 -5.00 116.55 117.04 1f6a n ASP 458 Ca 0.12 -2.50 -0.23 0.00 0.71 0.00 0.00 54.79 52.89 1f6a n ASP 458 Cb 0.42 -0.30 -0.17 0.00 -0.02 0.00 0.00 41.12 41.05 1f6a n ASP 458 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1f6a s LYS 459 N -1.40 0.57 -0.02 -1.24 1.02 -1.26 -2.61 119.74 114.80 1f6a s LYS 459 Ca 0.15 0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.25 1f6a s LYS 459 Cb 0.13 -1.06 -0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1f6a s LYS 459 CO 0.01 -0.34 -0.12 1.03 -0.92 0.00 0.00 175.35 175.01 1f6a s ARG 460 N 1.98 1.08 -0.08 1.68 0.52 -1.17 -4.85 118.95 118.10 1f6a s ARG 460 Ca 0.04 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 1f6a s ARG 460 Cb -0.13 -1.02 -0.05 0.00 0.52 0.00 0.00 34.95 34.27 1f6a s ARG 460 CO -0.05 0.24 0.37 0.99 0.02 0.00 0.00 175.30 176.87 1f6a s THR 461 N -0.18 5.18 0.15 0.02 2.01 -1.26 -2.00 115.64 119.56 1f6a s THR 461 Ca 0.03 0.74 0.05 0.00 0.31 0.00 0.00 61.69 62.82 1f6a s THR 461 Cb -0.06 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1f6a s THR 461 CO -0.00 0.47 0.07 -0.76 -0.69 0.00 0.00 174.62 173.70 1f6a s LEU 462 N -0.23 3.60 -0.03 4.42 1.43 -1.18 -1.72 118.68 124.97 1f6a s LEU 462 Ca 0.22 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1f6a s LEU 462 Cb -0.15 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1f6a s LEU 462 CO 0.09 0.10 0.14 0.00 0.23 0.00 0.00 176.35 176.92 1f6a s ALA 463 N -1.63 -0.35 -0.05 4.21 0.00 -1.25 -2.03 121.76 120.66 1f6a s ALA 463 Ca 0.29 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1f6a s ALA 463 Cb -0.10 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1f6a s ALA 463 CO 0.21 -0.14 0.08 0.00 0.00 0.00 0.00 175.76 175.91 1f6a s LEU 465 N 2.19 3.68 -0.21 0.00 2.96 -0.93 -1.70 118.68 124.68 1f6a s LEU 465 Ca 0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1f6a s LEU 465 Cb -0.12 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1f6a s LEU 465 CO -0.03 0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.26 1f6a s ILE 466 N 1.15 2.32 0.24 6.68 1.01 -0.83 -1.71 121.20 130.05 1f6a s ILE 466 Ca 0.05 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1f6a s ILE 466 Cb -0.14 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1f6a s ILE 466 CO 0.04 0.39 0.11 0.00 0.00 0.00 0.00 174.94 175.47 1f6a n GLN 467 N 4.61 0.61 -4.07 2.79 10.64 0.23 -0.93 117.38 131.26 1f6a n GLN 467 Ca -0.19 -2.08 -0.36 0.00 -1.83 0.00 0.00 57.00 52.54 1f6a n GLN 467 Cb 0.48 1.26 -0.02 0.00 -0.86 0.00 0.00 30.24 31.10 1f6a n GLN 467 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1f6a n ASN 468 N -1.84 -2.13 -4.37 2.61 3.02 0.03 -1.76 115.26 110.82 1f6a n ASN 468 Ca -0.02 -1.20 -0.18 0.00 -0.03 0.00 0.00 54.58 53.15 1f6a n ASN 468 Cb 0.37 -2.14 -0.10 0.00 -0.61 0.00 0.00 39.78 37.30 1f6a n ASN 468 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1f6a s PHE 469 N -3.85 1.70 -0.28 3.10 -0.12 -1.16 -4.49 117.98 112.87 1f6a s PHE 469 Ca 0.26 -0.98 -0.26 0.00 -0.05 0.00 0.00 56.93 55.89 1f6a s PHE 469 Cb -0.13 -1.03 0.17 0.00 -0.63 0.00 0.00 43.02 41.41 1f6a s PHE 469 CO 0.95 -0.08 1.32 0.00 -0.05 0.00 0.00 175.22 177.36 1f6a s MET 470 N -3.91 0.18 0.77 1.99 0.23 -0.48 -0.71 119.30 117.37 1f6a s MET 470 Ca 0.33 0.15 -0.11 0.00 -1.03 0.00 0.00 55.69 55.04 1f6a s MET 470 Cb 0.07 0.09 0.16 0.00 -1.53 0.00 0.00 34.83 33.62 1f6a s MET 470 CO 0.12 -0.03 0.37 -2.30 -2.03 0.00 0.00 175.02 171.15 1f6a n PRO 471 N 1.36 -1.68 0.00 3.16 -0.02 -1.26 -1.12 135.00 135.44 1f6a n PRO 471 Ca -0.08 -0.62 0.13 0.00 -2.02 0.00 0.00 63.50 60.90 1f6a n PRO 471 Cb 0.57 -1.08 0.42 0.00 -0.02 0.00 0.00 33.50 33.38 1f6a n PRO 471 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1f6a n GLU 472 N -2.04 0.50 -2.06 -0.52 0.28 -1.26 -4.81 120.64 110.72 1f6a n GLU 472 Ca 0.06 -0.25 -0.40 0.00 -0.16 0.00 0.00 57.16 56.41 1f6a n GLU 472 Cb 0.26 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 1f6a n GLU 472 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1f6a s ASP 473 N -2.68 5.47 0.01 -1.84 1.01 -1.26 -4.89 116.67 112.50 1f6a s ASP 473 Ca 0.21 0.54 0.02 0.00 0.71 0.00 0.00 52.55 54.03 1f6a s ASP 473 Cb 0.19 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 1f6a s ASP 473 CO 0.56 -2.18 -0.08 -0.51 0.21 0.00 0.00 175.17 173.18 1f6a s ILE 474 N 8.36 0.58 -0.29 0.77 2.07 -1.26 -4.57 121.20 126.86 1f6a s ILE 474 Ca 0.69 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1f6a s ILE 474 Cb -0.14 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 41.97 1f6a s ILE 474 CO 0.24 -0.01 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.78 1f6a s SER 475 N -0.63 4.70 0.35 4.50 0.01 -0.93 -4.81 113.70 116.89 1f6a s SER 475 Ca -0.01 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.80 1f6a s SER 475 Cb -0.05 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1f6a s SER 475 CO 0.00 -0.26 0.55 -0.69 0.41 0.00 0.00 173.24 173.26 1f6a s VAL 476 N 1.14 4.98 0.06 3.43 1.01 -1.26 -0.87 120.40 128.89 1f6a s VAL 476 Ca -0.05 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1f6a s VAL 476 Cb -0.20 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.46 1f6a s VAL 476 CO -0.04 -0.52 1.19 0.00 0.00 0.00 0.00 175.10 175.74 1f6a s GLN 477 N -4.32 0.75 0.05 2.72 -2.07 -1.18 -4.99 119.66 110.62 1f6a s GLN 477 Ca 0.41 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.46 1f6a s GLN 477 Cb -0.10 0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1f6a s GLN 477 CO 0.36 -0.35 -0.05 -1.58 -1.32 0.00 0.00 175.29 172.35 1f6a s TRP 478 N -2.04 0.55 0.19 9.60 0.52 -1.26 -2.30 118.94 124.20 1f6a s TRP 478 Ca 0.27 -0.78 0.07 0.00 0.02 0.00 0.00 56.10 55.68 1f6a s TRP 478 Cb -0.02 -0.36 -0.05 0.00 -1.15 0.00 0.00 33.47 31.90 1f6a s TRP 478 CO 0.02 -0.22 -0.13 -0.51 0.02 0.00 0.00 176.95 176.12 1f6a s LEU 479 N -2.29 2.55 -0.32 2.99 1.43 1.00 -2.36 118.68 121.68 1f6a s LEU 479 Ca -0.02 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1f6a s LEU 479 Cb -0.01 -0.61 0.19 0.00 0.03 0.00 0.00 46.19 45.79 1f6a s LEU 479 CO -0.04 -0.20 0.73 -2.28 0.23 0.00 0.00 176.35 174.78 1f6a s HIS 480 N -3.04 -1.44 -0.90 0.29 2.46 -0.82 -2.07 115.29 109.77 1f6a s HIS 480 Ca 0.21 0.65 -0.03 0.00 0.47 0.00 0.00 55.06 56.37 1f6a s HIS 480 Cb -0.00 0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 1f6a s HIS 480 CO 0.06 -0.88 0.77 -1.71 -2.47 0.00 0.00 174.74 170.51 1f6a n ASN 481 N 4.98 -3.58 -1.12 9.88 4.05 -1.26 -2.54 115.26 125.67 1f6a n ASN 481 Ca 0.07 -0.41 -0.12 0.00 0.45 0.00 0.00 54.58 54.58 1f6a n ASN 481 Cb 0.56 -3.73 -0.03 0.00 1.23 0.00 0.00 39.78 37.81 1f6a n ASN 481 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1f6a n GLU 482 N -3.45 -0.89 -3.96 1.20 -0.58 -1.26 -5.00 120.64 106.71 1f6a n GLU 482 Ca -0.10 0.77 -0.31 0.00 -0.42 0.00 0.00 57.16 57.10 1f6a n GLU 482 Cb 0.58 -4.84 -0.15 0.00 -0.57 0.00 0.00 31.44 26.45 1f6a n GLU 482 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1f6a s VAL 483 N -2.51 1.68 -0.76 2.62 1.01 -1.05 -5.07 120.40 116.31 1f6a s VAL 483 Ca 0.00 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 1f6a s VAL 483 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1f6a s VAL 483 CO 0.00 -0.14 1.89 -1.58 0.00 0.00 0.00 175.10 175.27 1f6a s GLN 484 N 1.32 2.62 0.84 2.72 0.74 -1.26 -1.94 119.66 124.69 1f6a s GLN 484 Ca -0.05 0.13 -0.16 0.00 0.05 0.00 0.00 55.36 55.33 1f6a s GLN 484 Cb -0.19 -4.73 -0.09 0.00 1.10 0.00 0.00 33.01 29.11 1f6a s GLN 484 CO -0.07 -3.03 -0.14 1.28 -0.55 0.00 0.00 175.29 172.79 1f6a n LEU 485 N 13.23 -2.88 -4.71 3.68 4.77 -0.99 -4.86 117.00 125.23 1f6a n LEU 485 Ca 0.30 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 56.24 1f6a n LEU 485 Cb 0.50 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1f6a n LEU 485 CO 0.66 -4.67 1.25 -2.84 -1.33 0.00 0.00 177.39 170.45 1f6a s PRO 486 N -2.34 4.21 0.33 3.23 0.02 -1.26 -4.82 135.00 134.37 1f6a s PRO 486 Ca 0.52 2.35 0.12 0.00 0.02 0.00 0.00 61.00 64.01 1f6a s PRO 486 Cb -0.28 -3.27 0.99 0.00 0.02 0.00 0.00 34.50 31.96 1f6a s PRO 486 CO 0.71 -0.64 1.69 0.22 -0.33 0.00 0.00 177.00 178.65 1f6a h ASP 487 N 7.20 0.54 0.00 2.53 1.82 -1.96 0.32 116.42 126.88 1f6a h ASP 487 Ca -0.43 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1f6a h ASP 487 Cb 1.20 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1f6a h ASP 487 CO 0.92 -0.05 0.00 0.00 -1.61 0.00 0.00 179.24 178.50 1f6a n ALA 488 N -2.32 2.09 0.04 -0.78 0.00 -1.26 -3.18 120.51 115.09 1f6a n ALA 488 Ca 0.29 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 1f6a n ALA 488 Cb 0.88 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 1f6a n ALA 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a h ARG 489 N 0.00 0.17 -6.33 0.00 2.47 -0.71 -3.47 114.38 106.51 1f6a h ARG 489 Ca 0.00 -0.29 -0.60 0.00 -1.26 0.00 0.00 59.98 57.83 1f6a h ARG 489 Cb 0.00 0.11 -0.13 0.00 -1.65 0.00 0.00 29.97 28.30 1f6a h ARG 489 CO 0.00 0.99 -0.71 -3.38 0.56 0.00 0.00 179.97 177.42 1f6a s HIS 490 N -2.62 2.55 -0.22 3.04 -3.43 -1.19 -4.44 115.29 108.98 1f6a s HIS 490 Ca -0.08 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 53.90 1f6a s HIS 490 Cb 0.07 -1.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.05 1f6a s HIS 490 CO 0.84 0.59 -0.07 0.45 -2.00 0.00 0.00 174.74 174.55 1f6a s SER 491 N -3.25 4.10 -0.09 7.38 0.15 0.28 -4.94 113.70 117.33 1f6a s SER 491 Ca 0.28 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1f6a s SER 491 Cb -0.07 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1f6a s SER 491 CO 0.16 -0.03 -0.16 -0.89 1.20 0.00 0.00 173.24 173.52 1f6a s THR 492 N 1.43 2.84 0.64 6.45 2.01 -1.26 -0.68 115.64 127.06 1f6a s THR 492 Ca 0.05 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1f6a s THR 492 Cb -0.14 -2.14 0.15 0.00 0.01 0.00 0.00 72.50 70.37 1f6a s THR 492 CO -0.05 0.55 0.86 0.35 -0.69 0.00 0.00 174.62 175.65 1f6a n THR 493 N 3.10 0.00 -3.80 -0.82 -2.24 0.07 -5.00 114.28 105.59 1f6a n THR 493 Ca -0.18 -0.65 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 1f6a n THR 493 Cb 0.52 -1.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 1f6a n THR 493 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1f6a s GLN 494 N -4.88 3.54 0.53 -0.78 -1.52 -1.26 -4.72 119.66 110.57 1f6a s GLN 494 Ca 0.49 -0.16 -0.20 0.00 -1.95 0.00 0.00 55.36 53.55 1f6a s GLN 494 Cb -0.01 -3.06 -0.09 0.00 -0.22 0.00 0.00 33.01 29.62 1f6a s GLN 494 CO 0.34 0.64 0.66 -2.30 -0.25 0.00 0.00 175.29 174.38 1f6a n PRO 495 N 0.96 0.69 -3.86 2.91 -0.02 -1.26 -4.80 135.00 129.62 1f6a n PRO 495 Ca -0.10 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1f6a n PRO 495 Cb 0.53 -1.78 -0.11 0.00 -0.02 0.00 0.00 33.50 32.11 1f6a n PRO 495 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f6a s ARG 496 N -2.08 0.31 0.65 -0.52 0.52 -1.07 -4.94 118.95 111.82 1f6a s ARG 496 Ca 0.68 -0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 1f6a s ARG 496 Cb -0.48 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 1f6a s ARG 496 CO 0.54 -0.06 1.04 0.15 0.02 0.00 0.00 175.30 176.99 1f6a s LYS 497 N -0.68 3.31 0.16 3.54 1.02 -1.26 -1.10 119.74 124.72 1f6a s LYS 497 Ca -0.08 0.86 0.05 0.00 0.02 0.00 0.00 55.97 56.82 1f6a s LYS 497 Cb -0.05 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1f6a s LYS 497 CO 0.01 -0.80 -0.10 0.95 -0.92 0.00 0.00 175.35 174.49 1f6a s THR 498 N -3.09 1.20 -1.03 2.17 -4.23 -0.44 -4.86 115.64 105.36 1f6a s THR 498 Ca 0.57 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1f6a s THR 498 Cb -0.12 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1f6a s THR 498 CO 0.53 -0.70 0.24 1.17 -0.54 0.00 0.00 174.62 175.32 1f6a n LYS 499 N -0.23 0.46 -0.54 3.99 4.81 -1.26 -1.88 118.16 123.50 1f6a n LYS 499 Ca -0.10 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.40 1f6a n LYS 499 Cb 0.61 -1.22 0.11 0.00 0.02 0.00 0.00 35.03 34.55 1f6a n LYS 499 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6a n GLY 500 N 0.26 3.47 3.18 3.14 0.00 -1.26 -4.98 105.19 109.01 1f6a n GLY 500 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1f6a n GLY 500 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f6a n SER 501 N -0.75 -3.95 -4.70 1.61 3.41 -0.79 -4.94 113.62 103.52 1f6a n SER 501 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.48 1f6a n SER 501 Cb 0.75 -2.99 -0.08 0.00 -0.26 0.00 0.00 64.21 61.63 1f6a n SER 501 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1f6a s GLY 502 N -1.84 2.37 0.44 5.00 0.00 -1.26 -4.92 107.32 107.10 1f6a s GLY 502 Ca 0.00 -2.16 0.08 0.00 0.00 0.00 0.00 44.72 42.64 1f6a s GLY 502 CO 0.00 -1.96 0.45 -1.36 0.00 0.00 0.00 173.10 170.23 1f6a s PHE 503 N -2.63 2.58 -0.14 1.90 0.40 0.11 -1.33 117.98 118.88 1f6a s PHE 503 Ca 0.39 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1f6a s PHE 503 Cb 0.05 -2.21 0.05 0.00 0.51 0.00 0.00 43.02 41.42 1f6a s PHE 503 CO 0.21 -0.28 0.34 -0.59 0.70 0.00 0.00 175.22 175.60 1f6a s PHE 504 N -2.48 -0.44 0.06 0.36 -0.12 -0.26 -0.79 117.98 114.32 1f6a s PHE 504 Ca 0.50 1.00 0.06 0.00 -0.05 0.00 0.00 56.93 58.43 1f6a s PHE 504 Cb -0.05 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1f6a s PHE 504 CO 0.29 -0.25 -0.15 0.54 -0.05 0.00 0.00 175.22 175.60 1f6a s VAL 505 N 0.89 1.21 0.04 -2.49 0.11 -0.11 -2.61 120.40 117.45 1f6a s VAL 505 Ca -0.06 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 57.81 1f6a s VAL 505 Cb -0.07 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1f6a s VAL 505 CO -0.07 -0.11 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.11 1f6a s PHE 506 N -1.11 2.73 0.02 1.54 2.99 -1.26 -1.96 117.98 120.93 1f6a s PHE 506 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 56.93 56.83 1f6a s PHE 506 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 43.02 41.40 1f6a s PHE 506 CO 0.02 0.34 -0.12 0.45 -0.00 0.00 0.00 175.22 175.91 1f6a s SER 507 N -1.62 1.42 -0.05 1.36 0.15 -0.69 -0.75 113.70 113.53 1f6a s SER 507 Ca 0.17 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1f6a s SER 507 Cb -0.11 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1f6a s SER 507 CO 0.08 0.04 -0.04 -0.60 1.20 0.00 0.00 173.24 173.92 1f6a s ARG 508 N -0.88 0.80 -0.40 5.44 3.52 0.14 -1.50 118.95 126.08 1f6a s ARG 508 Ca 0.01 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.54 1f6a s ARG 508 Cb -0.07 -0.85 0.13 0.00 -1.56 0.00 0.00 34.95 32.61 1f6a s ARG 508 CO 0.01 -0.11 0.21 -1.17 -0.81 0.00 0.00 175.30 173.43 1f6a s LEU 509 N 1.03 2.22 0.55 -0.88 2.96 -0.86 -0.55 118.68 123.14 1f6a s LEU 509 Ca -0.09 -2.35 -0.21 0.00 -0.22 0.00 0.00 54.13 51.26 1f6a s LEU 509 Cb -0.14 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.63 1f6a s LEU 509 CO -0.01 -0.30 1.11 -0.62 -1.32 0.00 0.00 176.35 175.21 1f6a n GLU 510 N 3.89 1.24 -4.15 1.98 1.02 -1.26 -3.11 120.64 120.25 1f6a n GLU 510 Ca 0.07 0.46 -0.13 0.00 -0.02 0.00 0.00 57.16 57.55 1f6a n GLU 510 Cb 0.36 -2.28 -0.11 0.00 -0.02 0.00 0.00 31.44 29.39 1f6a n GLU 510 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1f6a s VAL 511 N -1.39 0.81 -0.08 2.62 1.01 -0.85 -4.91 120.40 117.60 1f6a s VAL 511 Ca 0.72 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1f6a s VAL 511 Cb -0.44 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1f6a s VAL 511 CO 0.49 -0.60 -0.02 -0.89 0.00 0.00 0.00 175.10 174.08 1f6a s THR 512 N -2.54 4.14 0.20 3.92 2.01 -1.26 -3.04 115.64 119.08 1f6a s THR 512 Ca 0.04 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 1f6a s THR 512 Cb -0.02 -2.73 0.17 0.00 0.01 0.00 0.00 72.50 69.93 1f6a s THR 512 CO -0.01 0.60 1.57 -0.09 -0.69 0.00 0.00 174.62 176.00 1f6a h ARG 513 N 5.19 -0.09 -0.98 4.92 2.43 -1.91 -0.02 114.38 123.91 1f6a h ARG 513 Ca -0.50 0.01 0.32 0.00 -0.81 0.00 0.00 59.98 59.00 1f6a h ARG 513 Cb 1.19 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.58 1f6a h ARG 513 CO 0.54 -0.06 0.25 0.00 -1.51 0.00 0.00 179.97 179.19 1f6a h ALA 514 N 1.13 1.57 -0.21 2.80 0.00 -1.96 -0.75 119.26 121.85 1f6a h ALA 514 Ca 0.28 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 1f6a h ALA 514 Cb 0.57 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1f6a h ALA 514 CO -0.82 -0.70 -0.33 0.93 0.00 0.00 0.00 179.25 178.33 1f6a h GLU 515 N 0.04 0.43 0.00 0.00 5.08 -1.36 -2.77 114.58 116.00 1f6a h GLU 515 Ca 0.69 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1f6a h GLU 515 Cb 1.60 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1f6a h GLU 515 CO -0.83 0.71 -0.20 -2.67 -1.00 0.00 0.00 179.01 175.02 1f6a n TRP 516 N -4.08 0.11 0.05 4.33 2.14 -0.30 -2.70 117.44 116.99 1f6a n TRP 516 Ca -0.01 0.03 -0.02 0.00 2.07 0.00 0.00 57.50 59.57 1f6a n TRP 516 Cb 0.45 -0.46 -0.07 0.00 -0.81 0.00 0.00 31.31 30.41 1f6a n TRP 516 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1f6a h GLU 517 N 0.00 0.00 -0.18 -2.67 5.08 -1.43 -3.13 114.58 112.25 1f6a h GLU 517 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1f6a h GLU 517 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1f6a h GLU 517 CO 0.00 0.49 -0.30 0.37 -1.00 0.00 0.00 179.01 178.58 1f6a h GLN 518 N 0.00 0.36 -1.27 2.33 4.15 -1.31 -3.46 115.11 115.90 1f6a h GLN 518 Ca -0.12 -0.14 0.29 0.00 0.77 0.00 0.00 58.65 59.45 1f6a h GLN 518 Cb 1.64 -0.02 -0.20 0.00 0.21 0.00 0.00 27.48 29.11 1f6a h GLN 518 CO 0.07 0.62 0.89 0.21 -1.93 0.00 0.00 178.83 178.69 1f6a s LYS 519 N -4.39 0.18 -0.21 1.69 2.20 -1.10 -5.07 119.74 113.04 1f6a s LYS 519 Ca -0.06 -0.06 0.13 0.00 -0.36 0.00 0.00 55.97 55.62 1f6a s LYS 519 Cb 0.14 0.08 -0.22 0.00 -1.51 0.00 0.00 37.83 36.32 1f6a s LYS 519 CO 0.78 -0.08 -0.02 -0.25 -0.36 0.00 0.00 175.35 175.42 1f6a n ASP 520 N -0.03 0.77 -4.58 1.43 8.00 -1.24 -3.77 116.55 117.13 1f6a n ASP 520 Ca 0.03 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 1f6a n ASP 520 Cb 0.57 0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 1f6a n ASP 520 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6a n GLU 521 N -2.87 1.77 -4.90 -1.24 1.02 -1.26 -4.18 120.64 108.98 1f6a n GLU 521 Ca -0.35 0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 1f6a n GLU 521 Cb 1.08 -3.18 -0.16 0.00 -0.02 0.00 0.00 31.44 29.16 1f6a n GLU 521 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1f6a s PHE 522 N 8.66 2.67 -0.08 -0.32 0.40 -1.06 -4.28 117.98 123.98 1f6a s PHE 522 Ca 1.02 -1.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1f6a s PHE 522 Cb -0.37 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 1f6a s PHE 522 CO 0.36 -0.42 -0.14 0.42 0.70 0.00 0.00 175.22 176.13 1f6a s ILE 523 N 0.51 3.02 -0.67 0.64 1.01 -0.88 -1.45 121.20 123.39 1f6a s ILE 523 Ca -0.13 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 1f6a s ILE 523 Cb -0.17 -2.21 0.17 0.00 0.01 0.00 0.00 42.46 40.26 1f6a s ILE 523 CO 0.05 0.57 0.48 0.00 0.00 0.00 0.00 174.94 176.03 1f6a s ARG 525 N -0.55 0.79 -0.21 0.00 3.52 -0.97 -3.69 118.95 117.84 1f6a s ARG 525 Ca 0.20 0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.97 1f6a s ARG 525 Cb -0.17 -1.79 0.06 0.00 -1.56 0.00 0.00 34.95 31.48 1f6a s ARG 525 CO -0.06 -2.44 0.54 0.00 -0.81 0.00 0.00 175.30 172.53 1f6a s ALA 526 N -3.17 -1.38 -0.19 6.12 0.00 0.58 -3.12 121.76 120.61 1f6a s ALA 526 Ca 0.65 1.67 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1f6a s ALA 526 Cb -0.16 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1f6a s ALA 526 CO 0.55 -0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.94 1f6a s VAL 527 N 0.68 2.33 0.09 0.00 1.01 -0.05 -1.31 120.40 123.14 1f6a s VAL 527 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1f6a s VAL 527 Cb -0.05 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1f6a s VAL 527 CO -0.05 0.52 -0.07 -2.28 0.00 0.00 0.00 175.10 173.22 1f6a s HIS 528 N 1.33 0.87 0.05 5.22 2.46 -1.09 -2.18 115.29 121.94 1f6a s HIS 528 Ca 0.05 -0.81 0.32 0.00 0.47 0.00 0.00 55.06 55.09 1f6a s HIS 528 Cb -0.13 -0.50 1.47 0.00 -0.13 0.00 0.00 32.58 33.28 1f6a s HIS 528 CO -0.11 -0.12 1.97 1.49 -2.47 0.00 0.00 174.74 175.50 1f6a h GLU 529 N 3.29 0.00 0.00 2.88 4.81 -1.86 -3.39 114.58 120.31 1f6a h GLU 529 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1f6a h GLU 529 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1f6a h GLU 529 CO 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 1f6a n ALA 530 N -1.99 0.00 0.00 2.92 0.00 -1.26 -5.00 120.51 115.18 1f6a n ALA 530 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f6a n ALA 530 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1f6a n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a n ALA 531 N -3.00 -0.09 -2.57 0.00 0.00 -1.26 -4.69 120.51 108.90 1f6a n ALA 531 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1f6a n ALA 531 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1f6a n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f6a s SER 532 N 0.00 5.02 -0.01 0.00 0.01 -1.26 -2.54 113.70 114.92 1f6a s SER 532 Ca 0.00 -0.58 0.20 0.00 1.31 0.00 0.00 55.95 56.88 1f6a s SER 532 Cb 0.00 -0.93 -0.24 0.00 0.21 0.00 0.00 66.02 65.06 1f6a s SER 532 CO 0.00 -0.25 0.73 -0.81 0.41 0.00 0.00 173.24 173.31 1f6a n PRO 533 N -1.21 0.55 -0.69 12.44 -0.04 -1.26 -4.64 135.00 140.15 1f6a n PRO 533 Ca -0.04 -0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1f6a n PRO 533 Cb 0.60 -1.44 0.34 0.00 -0.04 0.00 0.00 33.50 32.96 1f6a n PRO 533 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f6a n SER 534 N -1.66 4.89 -0.53 3.54 3.41 -1.26 -4.92 113.62 117.08 1f6a n SER 534 Ca 0.02 -2.92 -0.07 0.00 -0.26 0.00 0.00 58.87 55.64 1f6a n SER 534 Cb 0.36 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1f6a n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f6a n GLN 535 N 0.20 -1.53 -4.26 4.33 6.02 -1.05 -4.95 117.38 116.13 1f6a n GLN 535 Ca 0.25 0.70 -0.23 0.00 -0.01 0.00 0.00 57.00 57.70 1f6a n GLN 535 Cb 1.04 -4.97 -0.07 0.00 1.02 0.00 0.00 30.24 27.26 1f6a n GLN 535 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1f6a s THR 536 N -1.74 3.05 -0.29 5.09 2.01 -1.26 -2.69 115.64 119.81 1f6a s THR 536 Ca 0.00 -1.90 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 1f6a s THR 536 Cb 0.00 -2.84 0.12 0.00 0.01 0.00 0.00 72.50 69.79 1f6a s THR 536 CO 0.00 -0.27 0.71 -0.69 -0.69 0.00 0.00 174.62 173.68 1f6a s VAL 537 N -2.42 -0.65 0.10 3.82 1.01 -0.43 -4.59 120.40 117.25 1f6a s VAL 537 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1f6a s VAL 537 Cb -0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1f6a s VAL 537 CO 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 175.10 175.29 1f6a s GLN 538 N 2.46 0.82 -0.06 2.72 -2.07 -1.26 -0.31 119.66 121.97 1f6a s GLN 538 Ca -0.07 -1.35 -0.02 0.00 -1.82 0.00 0.00 55.36 52.10 1f6a s GLN 538 Cb -0.09 0.04 0.04 0.00 -1.09 0.00 0.00 33.01 31.90 1f6a s GLN 538 CO -0.19 -0.13 0.10 0.50 -1.32 0.00 0.00 175.29 174.26 1f6a s ARG 539 N -3.93 -0.01 0.89 9.60 6.06 -1.24 -5.01 118.95 125.32 1f6a s ARG 539 Ca 0.15 0.41 -0.12 0.00 -2.50 0.00 0.00 55.73 53.67 1f6a s ARG 539 Cb 0.07 -0.33 0.13 0.00 0.06 0.00 0.00 34.95 34.87 1f6a s ARG 539 CO -0.04 -0.27 1.11 0.00 -2.50 0.00 0.00 175.30 173.60 1f6a s ALA 540 N 1.86 1.70 0.39 6.12 0.00 -1.26 -3.24 121.76 127.33 1f6a s ALA 540 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1f6a s ALA 540 Cb -0.12 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1f6a s ALA 540 CO -0.04 -2.24 0.77 0.54 0.00 0.00 0.00 175.76 174.78 1f6a s VAL 541 N -3.10 0.00 0.00 0.00 0.11 -0.53 -4.68 120.40 112.21 1f6a s VAL 541 Ca 0.63 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1f6a s VAL 541 Cb -0.16 -2.92 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1f6a s VAL 541 CO 0.55 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.78 1f6a n SER 542 N -1.49 0.00 -4.89 3.54 3.41 -1.26 -2.58 113.62 110.36 1f6a n SER 542 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.24 1f6a n SER 542 Cb 0.60 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1f6a n SER 542 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f6a s VAL 543 N -2.00 4.91 0.00 -3.33 1.01 -1.26 -4.93 120.40 114.80 1f6a s VAL 543 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1f6a s VAL 543 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1f6a s VAL 543 CO 0.00 -0.37 0.00 0.59 0.00 0.00 0.00 175.10 175.32