#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ign s ALA 361 N 0.00 3.39 0.32 7.82 0.00 -1.26 -5.06 121.76 126.96 1ign s ALA 361 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 1ign s ALA 361 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1ign s ALA 361 CO 0.00 0.29 0.82 -1.12 0.00 0.00 0.00 175.76 175.75 1ign s SER 362 N -1.47 7.00 -0.17 0.00 0.01 -1.26 -5.01 113.70 112.80 1ign s SER 362 Ca 0.42 1.52 -0.27 0.00 1.31 0.00 0.00 55.95 58.92 1ign s SER 362 Cb -0.19 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1ign s SER 362 CO 0.23 -0.14 0.91 -0.36 0.41 0.00 0.00 173.24 174.30 1ign s PHE 363 N -1.82 3.42 0.65 2.43 0.08 -1.26 -5.04 117.98 116.44 1ign s PHE 363 Ca 0.52 1.37 -0.09 0.00 0.12 0.00 0.00 56.93 58.85 1ign s PHE 363 Cb -0.13 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1ign s PHE 363 CO 0.19 -0.30 1.01 0.95 -0.10 0.00 0.00 175.22 176.97 1ign s THR 364 N 2.38 3.62 0.42 0.64 -4.23 -1.26 -4.93 115.64 112.27 1ign s THR 364 Ca 0.42 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 61.34 1ign s THR 364 Cb -0.17 -3.49 0.16 0.00 1.34 0.00 0.00 72.50 70.35 1ign s THR 364 CO 0.12 -0.58 1.95 -0.78 -0.54 0.00 0.00 174.62 174.79 1ign h ASP 365 N -0.43 0.07 -0.51 3.99 3.58 -1.99 -2.20 116.42 118.93 1ign h ASP 365 Ca -0.45 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 56.89 1ign h ASP 365 Cb 1.25 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1ign h ASP 365 CO 0.62 0.27 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.87 1ign h GLU 366 N 0.07 0.97 -0.36 0.28 3.07 -1.99 -1.50 114.58 115.11 1ign h GLU 366 Ca 0.01 -0.32 -0.12 0.00 -0.50 0.00 0.00 59.36 58.43 1ign h GLU 366 Cb 0.39 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ign h GLU 366 CO 0.03 0.98 -0.25 0.93 -1.40 0.00 0.00 179.01 179.29 1ign h GLU 367 N 0.88 0.81 -0.57 2.33 5.08 -1.87 -2.31 114.58 118.92 1ign h GLU 367 Ca 0.15 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1ign h GLU 367 Cb 0.58 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1ign h GLU 367 CO 0.04 1.02 0.36 -0.44 -1.00 0.00 0.00 179.01 178.99 1ign h ASP 368 N 0.60 0.61 -0.15 1.42 3.32 -1.08 -0.53 116.42 120.60 1ign h ASP 368 Ca 0.07 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1ign h ASP 368 Cb 0.82 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1ign h ASP 368 CO 0.07 0.43 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.39 1ign h GLU 369 N 0.73 0.63 -0.12 3.56 4.39 -1.31 -1.83 114.58 120.62 1ign h GLU 369 Ca 0.22 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1ign h GLU 369 Cb -0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1ign h GLU 369 CO -0.07 0.86 0.04 0.35 -1.16 0.00 0.00 179.01 179.02 1ign h PHE 370 N 0.54 0.20 -0.22 4.33 3.57 -1.04 -0.15 116.94 124.17 1ign h PHE 370 Ca 0.07 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1ign h PHE 370 Cb 0.79 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ign h PHE 370 CO 0.03 0.32 0.09 0.82 -2.23 0.00 0.00 178.31 177.35 1ign h ILE 371 N 0.02 0.97 -0.10 1.41 2.04 -1.03 -0.62 117.51 120.20 1ign h ILE 371 Ca 0.04 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1ign h ILE 371 Cb 0.22 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1ign h ILE 371 CO -0.00 0.04 -0.04 -0.07 0.00 0.00 0.00 178.15 178.08 1ign h LEU 372 N 0.21 -0.13 -1.30 1.44 3.38 -1.28 -1.44 115.31 116.18 1ign h LEU 372 Ca 0.09 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1ign h LEU 372 Cb 0.04 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1ign h LEU 372 CO -0.08 -0.05 0.48 -0.78 0.09 0.00 0.00 178.44 178.10 1ign h ASP 373 N -0.02 0.80 -0.38 -0.43 3.58 -0.65 -0.19 116.42 119.13 1ign h ASP 373 Ca 0.05 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 1ign h ASP 373 Cb 0.10 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1ign h ASP 373 CO -0.12 0.57 -0.18 0.58 -2.88 0.00 0.00 179.24 177.21 1ign h VAL 374 N 0.94 1.28 -0.40 2.25 2.07 -0.70 -2.28 116.25 119.42 1ign h VAL 374 Ca 0.28 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1ign h VAL 374 Cb -0.02 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1ign h VAL 374 CO -0.07 0.44 -0.18 0.58 0.02 0.00 0.00 177.57 178.35 1ign h VAL 375 N 0.60 1.27 -0.58 2.57 2.07 -0.79 -2.01 116.25 119.38 1ign h VAL 375 Ca 0.09 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1ign h VAL 375 Cb 0.73 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1ign h VAL 375 CO 0.06 0.43 0.20 0.03 0.02 0.00 0.00 177.57 178.30 1ign h ARG 376 N 0.67 0.86 -0.00 1.57 3.08 -0.96 -0.96 114.38 118.64 1ign h ARG 376 Ca 0.10 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ign h ARG 376 Cb 0.67 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ign h ARG 376 CO 0.05 0.73 -0.12 1.63 -1.07 0.00 0.00 179.97 181.19 1ign n LYS 377 N -4.30 0.17 -2.67 0.04 5.02 -0.87 -1.44 118.16 114.10 1ign n LYS 377 Ca 0.05 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1ign n LYS 377 Cb 0.19 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1ign n LYS 377 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ign n ASN 378 N -1.38 1.79 -0.26 4.39 3.02 -0.78 -4.91 115.26 117.12 1ign n ASN 378 Ca 0.09 -2.85 0.19 0.00 -0.03 0.00 0.00 54.58 51.98 1ign n ASN 378 Cb 0.32 -0.53 0.49 0.00 -0.61 0.00 0.00 39.78 39.45 1ign n ASN 378 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ign h PRO 379 N 2.95 0.44 0.00 3.52 0.13 -1.30 -0.09 132.00 137.65 1ign h PRO 379 Ca -0.04 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ign h PRO 379 Cb 1.13 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ign h PRO 379 CO 0.54 0.29 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 1ign n THR 380 N -4.54 1.00 -0.61 1.56 -2.24 -1.26 -2.41 114.28 105.78 1ign n THR 380 Ca 0.20 0.35 0.08 0.00 -2.27 0.00 0.00 64.05 62.41 1ign n THR 380 Cb 0.69 -1.27 0.25 0.00 -2.10 0.00 0.00 70.33 67.90 1ign n THR 380 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ign n ARG 381 N -2.03 3.14 -0.09 -0.78 1.74 -0.05 -3.72 116.66 114.87 1ign n ARG 381 Ca 0.02 -2.58 0.11 0.00 -0.77 0.00 0.00 57.85 54.63 1ign n ARG 381 Cb 0.16 -1.66 0.47 0.00 -1.02 0.00 0.00 32.46 30.41 1ign n ARG 381 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1ign h ARG 382 N 2.44 0.46 -0.46 5.56 0.11 -1.52 -2.61 114.38 118.36 1ign h ARG 382 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1ign h ARG 382 Cb 1.20 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1ign h ARG 382 CO 0.15 0.30 0.00 0.25 0.10 0.00 0.00 179.97 180.77 1ign n THR 383 N -4.47 1.89 -2.00 0.08 -2.24 -1.26 -4.98 114.28 101.29 1ign n THR 383 Ca 0.09 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.20 1ign n THR 383 Cb 0.33 0.05 0.19 0.00 -2.10 0.00 0.00 70.33 68.80 1ign n THR 383 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ign s THR 384 N -2.05 2.01 -0.09 4.28 -4.23 -0.98 -4.99 115.64 109.58 1ign s THR 384 Ca 0.43 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1ign s THR 384 Cb 0.30 -2.95 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 1ign s THR 384 CO 0.17 0.00 0.02 1.41 -0.54 0.00 0.00 174.62 175.68 1ign n HIS 385 N -3.72 0.00 0.08 3.99 8.25 -1.26 -4.59 115.22 117.97 1ign n HIS 385 Ca 0.16 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.67 1ign n HIS 385 Cb 0.59 -0.43 0.49 0.00 1.12 0.00 0.00 29.99 31.76 1ign n HIS 385 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ign h THR 386 N 0.00 1.08 -0.60 1.59 1.35 -1.94 -2.46 112.91 111.93 1ign h THR 386 Ca -0.24 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.42 1ign h THR 386 Cb 1.52 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 1ign h THR 386 CO 0.01 0.08 0.20 0.25 -0.25 0.00 0.00 175.52 175.80 1ign h LEU 387 N 0.37 0.86 -0.81 3.87 5.85 -1.84 -0.56 115.31 123.05 1ign h LEU 387 Ca 0.10 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 1ign h LEU 387 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1ign h LEU 387 CO -0.02 0.83 -0.55 1.88 -0.34 0.00 0.00 178.44 180.24 1ign h TYR 388 N 0.84 0.17 -0.46 1.25 0.05 -1.77 -0.08 116.97 116.97 1ign h TYR 388 Ca 0.19 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.80 1ign h TYR 388 Cb 0.27 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1ign h TYR 388 CO 0.02 0.65 -0.18 0.22 -1.05 0.00 0.00 178.16 177.82 1ign h ASP 389 N 0.10 0.92 -0.50 3.88 3.58 -1.11 -1.34 116.42 121.95 1ign h ASP 389 Ca -0.00 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 1ign h ASP 389 Cb 1.00 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1ign h ASP 389 CO 0.08 1.08 -0.04 -0.33 -2.88 0.00 0.00 179.24 177.15 1ign h GLU 390 N 0.79 0.95 -0.37 0.28 5.08 -0.53 -2.74 114.58 118.04 1ign h GLU 390 Ca 0.11 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ign h GLU 390 Cb 0.73 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ign h GLU 390 CO 0.06 0.96 0.21 0.82 -1.00 0.00 0.00 179.01 180.06 1ign h ILE 391 N 0.87 1.11 0.00 3.13 2.04 -0.39 -2.24 117.51 122.03 1ign h ILE 391 Ca 0.15 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ign h ILE 391 Cb 0.56 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1ign h ILE 391 CO 0.03 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 1ign n SER 392 N -4.45 0.58 0.13 1.72 3.41 -0.57 -0.80 113.62 113.64 1ign n SER 392 Ca 0.02 0.75 0.01 0.00 -0.26 0.00 0.00 58.87 59.40 1ign n SER 392 Cb 0.09 -0.83 0.33 0.00 -0.26 0.00 0.00 64.21 63.53 1ign n SER 392 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1ign h HIS 393 N 0.00 0.19 0.00 7.33 -0.00 -1.50 -1.92 115.15 119.25 1ign h HIS 393 Ca 0.00 -0.03 -0.30 0.00 -0.00 0.00 0.00 60.37 60.03 1ign h HIS 393 Cb 0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1ign h HIS 393 CO 0.00 0.44 -1.91 0.66 -0.00 0.00 0.00 177.93 177.12 1ign n TYR 394 N -4.15 0.66 -3.31 5.26 4.01 0.02 -4.49 117.16 115.16 1ign n TYR 394 Ca -0.01 0.24 -0.26 0.00 -0.16 0.00 0.00 57.90 57.70 1ign n TYR 394 Cb 0.37 -1.11 -0.07 0.00 -0.31 0.00 0.00 39.34 38.22 1ign n TYR 394 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1ign n VAL 395 N -2.92 1.88 0.15 -0.72 0.24 -0.96 -4.95 118.33 111.05 1ign n VAL 395 Ca -0.21 -5.06 0.09 0.00 -2.04 0.00 0.00 64.34 57.12 1ign n VAL 395 Cb 1.06 -1.91 0.49 0.00 -1.47 0.00 0.00 33.84 32.01 1ign n VAL 395 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1ign n PRO 396 N 0.76 0.12 0.12 7.34 -0.04 -0.73 -1.84 135.00 140.72 1ign n PRO 396 Ca 0.28 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.47 1ign n PRO 396 Cb 0.44 -1.97 0.48 0.00 -0.04 0.00 0.00 33.50 32.41 1ign n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ign n ASN 397 N -2.14 0.63 -4.49 3.54 4.13 -1.26 -4.78 115.26 110.89 1ign n ASN 397 Ca -0.01 0.65 -0.26 0.00 1.68 0.00 0.00 54.58 56.64 1ign n ASN 397 Cb 0.11 -0.79 -0.10 0.00 -1.54 0.00 0.00 39.78 37.47 1ign n ASN 397 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1ign s HIS 398 N -3.29 2.06 0.42 3.10 3.76 -0.77 -4.52 115.29 116.05 1ign s HIS 398 Ca 0.05 -0.94 0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1ign s HIS 398 Cb 0.09 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 1ign s HIS 398 CO 0.39 0.10 0.19 0.95 -0.85 0.00 0.00 174.74 175.52 1ign s THR 399 N -3.06 2.24 0.22 1.30 -4.23 -1.26 -4.84 115.64 106.01 1ign s THR 399 Ca 0.28 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1ign s THR 399 Cb 0.07 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.14 1ign s THR 399 CO 0.14 0.00 1.79 1.23 -0.54 0.00 0.00 174.62 177.24 1ign h GLY 400 N 1.38 1.03 0.79 3.99 0.00 -1.71 -0.23 103.07 108.32 1ign h GLY 400 Ca -0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1ign h GLY 400 CO 0.69 0.11 -0.33 3.43 0.00 0.00 0.00 176.54 180.44 1ign h ASN 401 N 0.65 -0.86 -0.67 0.19 2.35 -1.69 -0.36 115.58 115.19 1ign h ASN 401 Ca 0.33 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 56.09 1ign h ASN 401 Cb 0.28 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1ign h ASN 401 CO -0.23 -0.51 0.23 0.77 -1.65 0.00 0.00 177.43 176.04 1ign h SER 402 N -0.79 0.97 -0.69 5.81 4.64 -1.78 -1.03 113.55 120.68 1ign h SER 402 Ca -0.05 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1ign h SER 402 Cb 0.66 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1ign h SER 402 CO 0.02 0.91 0.40 0.40 -0.87 0.00 0.00 176.83 177.69 1ign h ILE 403 N 0.98 1.21 -0.48 0.95 2.04 -0.98 0.30 117.51 121.52 1ign h ILE 403 Ca 0.22 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1ign h ILE 403 Cb 0.28 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1ign h ILE 403 CO -0.01 0.22 0.18 -0.09 0.00 0.00 0.00 178.15 178.45 1ign h ARG 404 N 0.95 0.72 -0.43 2.37 2.43 -0.75 -0.35 114.38 119.32 1ign h ARG 404 Ca 0.25 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1ign h ARG 404 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1ign h ARG 404 CO -0.04 0.66 -0.28 1.25 -1.51 0.00 0.00 179.97 180.05 1ign h HIS 405 N 0.63 1.08 -0.30 2.20 2.76 -0.95 -0.87 115.15 119.71 1ign h HIS 405 Ca 0.16 -0.28 0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1ign h HIS 405 Cb 0.22 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1ign h HIS 405 CO 0.01 1.09 0.16 -0.09 -1.30 0.00 0.00 177.93 177.79 1ign h ARG 406 N 0.79 0.31 0.26 5.26 9.65 -0.10 -1.11 114.38 129.45 1ign h ARG 406 Ca 0.09 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1ign h ARG 406 Cb 0.85 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1ign h ARG 406 CO 0.08 0.21 -0.13 0.35 2.80 0.00 0.00 179.97 183.28 1ign h PHE 407 N 0.32 -0.33 -0.16 2.20 3.57 -0.91 -1.79 116.94 119.85 1ign h PHE 407 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1ign h PHE 407 Cb 0.03 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1ign h PHE 407 CO -0.09 -0.12 -0.04 0.00 -2.23 0.00 0.00 178.31 175.82 1ign h ARG 408 N -0.47 -0.01 0.08 1.11 3.08 -1.00 0.24 114.38 117.42 1ign h ARG 408 Ca -0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 1ign h ARG 408 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1ign h ARG 408 CO 0.06 -0.01 -1.26 0.28 -1.07 0.00 0.00 179.97 177.98 1ign h VAL 409 N -0.01 1.46 0.00 2.04 2.07 -1.27 -3.39 116.25 117.15 1ign h VAL 409 Ca 0.08 -3.10 -0.12 0.00 0.82 0.00 0.00 66.70 64.38 1ign h VAL 409 Cb 0.13 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1ign h VAL 409 CO -0.17 0.88 -1.41 -1.22 0.02 0.00 0.00 177.57 175.67 1ign n TYR 410 N -3.43 0.00 0.07 1.57 4.01 -0.72 -4.83 117.16 113.84 1ign n TYR 410 Ca -0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.58 1ign n TYR 410 Cb 1.00 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 39.67 1ign n TYR 410 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ign h LEU 411 N -0.16 0.09 -2.34 7.72 3.38 -1.01 -3.27 115.31 119.72 1ign h LEU 411 Ca -0.18 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1ign h LEU 411 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ign h LEU 411 CO -0.08 1.03 0.12 0.77 0.09 0.00 0.00 178.44 180.37 1ign h SER 412 N 0.02 0.00 0.26 -0.43 4.64 -0.73 -0.39 113.55 116.92 1ign h SER 412 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1ign h SER 412 Cb 1.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.81 1ign h SER 412 CO 0.14 0.00 -0.29 0.11 -0.87 0.00 0.00 176.83 175.92 1ign h LYS 413 N 0.00 0.04 -0.27 4.77 1.57 -1.83 -2.93 116.57 117.92 1ign h LYS 413 Ca 0.05 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ign h LYS 413 Cb 0.29 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1ign h LYS 413 CO -0.00 0.33 -0.03 2.89 -0.57 0.00 0.00 179.45 182.07 1ign n ARG 414 N -4.18 2.29 0.21 3.15 1.85 -0.19 -4.70 116.66 115.10 1ign n ARG 414 Ca -0.02 -2.96 -0.15 0.00 -1.00 0.00 0.00 57.85 53.72 1ign n ARG 414 Cb 0.34 -1.80 -0.07 0.00 -1.05 0.00 0.00 32.46 29.88 1ign n ARG 414 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1ign h LEU 415 N 1.28 -0.60 0.00 2.89 6.46 -1.28 -3.45 115.31 120.61 1ign h LEU 415 Ca 0.10 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1ign h LEU 415 Cb 1.50 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1ign h LEU 415 CO 0.27 -0.37 0.00 -0.62 -0.62 0.00 0.00 178.44 177.11 1ign n GLU 416 N -5.36 0.00 -3.61 1.25 1.02 -1.26 -4.76 120.64 107.91 1ign n GLU 416 Ca -0.10 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.96 1ign n GLU 416 Cb 0.27 -0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 31.48 1ign n GLU 416 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1ign s TYR 417 N 0.00 -0.32 0.28 -0.32 1.13 -1.26 -4.62 117.35 112.24 1ign s TYR 417 Ca 0.00 0.05 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 1ign s TYR 417 Cb 0.00 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.42 1ign s TYR 417 CO 0.00 -0.85 0.11 0.14 -2.51 0.00 0.00 175.55 172.44 1ign s VAL 418 N -3.52 0.58 -0.12 -3.49 -7.23 -0.08 -4.80 120.40 101.75 1ign s VAL 418 Ca 0.07 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 1ign s VAL 418 Cb -0.02 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1ign s VAL 418 CO -0.04 0.00 0.17 -0.31 -0.31 0.00 0.00 175.10 174.61 1ign s TYR 419 N -3.66 3.59 0.46 2.82 2.02 -0.52 -0.54 117.35 121.51 1ign s TYR 419 Ca 0.37 0.55 -0.21 0.00 -0.37 0.00 0.00 57.07 57.41 1ign s TYR 419 Cb 0.07 -2.00 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1ign s TYR 419 CO 0.15 0.68 1.01 -1.83 -1.57 0.00 0.00 175.55 173.98 1ign s GLU 420 N -0.86 3.99 0.25 -0.62 -1.05 0.20 -4.74 118.70 115.85 1ign s GLU 420 Ca 0.15 1.29 0.11 0.00 -0.15 0.00 0.00 54.97 56.38 1ign s GLU 420 Cb -0.12 -2.17 -0.05 0.00 -0.44 0.00 0.00 34.13 31.34 1ign s GLU 420 CO 0.04 -0.26 -0.20 0.14 0.95 0.00 0.00 175.26 175.94 1ign s VAL 421 N -2.01 2.30 0.51 1.83 -7.23 -1.26 -0.55 120.40 113.99 1ign s VAL 421 Ca 0.64 -2.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1ign s VAL 421 Cb -0.14 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.69 1ign s VAL 421 CO 0.18 -0.38 0.70 -0.90 -0.31 0.00 0.00 175.10 174.39 1ign n ASP 422 N -0.39 1.14 0.31 4.85 5.68 0.21 -4.83 116.55 123.52 1ign n ASP 422 Ca -0.07 -1.91 0.20 0.00 -0.50 0.00 0.00 54.79 52.50 1ign n ASP 422 Cb 0.59 -0.43 0.99 0.00 -1.14 0.00 0.00 41.12 41.13 1ign n ASP 422 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ign h LYS 423 N 0.00 0.00 -0.37 0.11 2.10 -2.02 0.62 116.57 117.01 1ign h LYS 423 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1ign h LYS 423 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1ign h LYS 423 CO 0.27 0.01 0.00 1.19 -2.00 0.00 0.00 179.45 178.92 1ign n PHE 424 N -3.16 0.49 -0.94 0.07 3.72 -1.26 -4.93 117.46 111.45 1ign n PHE 424 Ca -0.02 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 1ign n PHE 424 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1ign n PHE 424 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ign n GLY 425 N 1.17 0.42 3.91 1.37 0.00 0.21 -5.01 105.19 107.25 1ign n GLY 425 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ign n GLY 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ign s LYS 426 N -0.61 3.60 0.31 1.61 1.02 -1.26 -4.76 119.74 119.64 1ign s LYS 426 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1ign s LYS 426 Cb 0.00 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.42 1ign s LYS 426 CO 0.00 0.38 1.39 -0.51 -0.92 0.00 0.00 175.35 175.68 1ign s LEU 427 N -3.09 4.39 -0.11 3.17 1.43 -1.26 -0.62 118.68 122.59 1ign s LEU 427 Ca 0.41 2.74 -0.25 0.00 -1.03 0.00 0.00 54.13 56.00 1ign s LEU 427 Cb -0.11 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1ign s LEU 427 CO 0.27 -0.66 0.80 -0.69 0.23 0.00 0.00 176.35 176.31 1ign s VAL 428 N -0.68 4.94 0.07 -1.59 1.01 0.29 -4.83 120.40 119.60 1ign s VAL 428 Ca 0.54 1.62 0.10 0.00 0.00 0.00 0.00 61.98 64.23 1ign s VAL 428 Cb -0.42 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1ign s VAL 428 CO 0.51 0.12 -0.26 -0.13 0.00 0.00 0.00 175.10 175.34 1ign s ARG 429 N 1.55 1.68 0.00 2.72 0.52 -1.26 -2.75 118.95 121.40 1ign s ARG 429 Ca 0.40 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1ign s ARG 429 Cb -0.17 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1ign s ARG 429 CO 0.16 0.49 0.00 -0.40 0.02 0.00 0.00 175.30 175.57 1ign n ASP 430 N 1.57 0.00 0.15 0.23 5.68 -0.18 -4.87 116.55 119.13 1ign n ASP 430 Ca -0.17 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.17 1ign n ASP 430 Cb 0.52 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.02 1ign n ASP 430 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ign h ASP 431 N 0.00 0.19 -0.40 -1.12 5.19 -2.02 -1.96 116.42 116.30 1ign h ASP 431 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ign h ASP 431 Cb 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1ign h ASP 431 CO 0.00 0.19 0.00 0.47 -3.12 0.00 0.00 179.24 176.78 1ign n ASP 432 N -4.46 3.46 0.00 6.45 8.00 -1.26 -4.94 116.55 123.80 1ign n ASP 432 Ca -0.01 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1ign n ASP 432 Cb 0.12 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1ign n ASP 432 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ign n GLY 433 N 1.51 0.56 3.76 0.44 0.00 -0.74 -5.04 105.19 105.68 1ign n GLY 433 Ca 0.20 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1ign n GLY 433 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ign s ASN 434 N -2.36 7.36 0.69 1.61 0.01 -1.26 -4.68 114.94 116.31 1ign s ASN 434 Ca 0.00 2.18 -0.12 0.00 -0.71 0.00 0.00 52.86 54.22 1ign s ASN 434 Cb 0.00 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ign s ASN 434 CO 0.00 -0.07 1.07 -0.76 -1.51 0.00 0.00 177.10 175.83 1ign s LEU 435 N -1.33 3.19 -0.30 0.60 1.43 -1.26 -1.01 118.68 119.99 1ign s LEU 435 Ca 0.44 1.70 -0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1ign s LEU 435 Cb -0.30 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.40 1ign s LEU 435 CO 0.39 -1.50 0.13 -0.63 0.23 0.00 0.00 176.35 174.96 1ign s ILE 436 N -2.89 4.47 0.13 -0.59 1.01 -1.11 -4.85 121.20 117.37 1ign s ILE 436 Ca 0.60 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1ign s ILE 436 Cb -0.15 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1ign s ILE 436 CO 0.51 0.09 0.96 -0.54 0.00 0.00 0.00 174.94 175.97 1ign s LYS 437 N 1.59 4.72 -0.02 2.79 1.02 -1.26 -0.63 119.74 127.95 1ign s LYS 437 Ca 0.04 1.46 -0.19 0.00 0.02 0.00 0.00 55.97 57.31 1ign s LYS 437 Cb -0.17 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1ign s LYS 437 CO 0.05 0.26 0.41 -0.08 -0.92 0.00 0.00 175.35 175.07 1ign s THR 438 N -0.18 0.04 -2.31 2.17 -1.32 0.29 -4.91 115.64 109.43 1ign s THR 438 Ca 0.46 -0.36 0.25 0.00 -1.21 0.00 0.00 61.69 60.84 1ign s THR 438 Cb -0.24 -0.72 0.25 0.00 -1.51 0.00 0.00 72.50 70.29 1ign s THR 438 CO 0.30 -0.20 1.42 0.29 -2.21 0.00 0.00 174.62 174.23 1ign n LYS 439 N 1.16 1.49 -2.70 7.08 5.02 -1.26 -0.90 118.16 128.05 1ign n LYS 439 Ca -0.21 -1.08 -0.42 0.00 -2.02 0.00 0.00 58.31 54.58 1ign n LYS 439 Cb 0.56 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1ign n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ign s VAL 440 N -2.25 4.10 0.01 -0.18 1.01 -1.26 -4.97 120.40 116.87 1ign s VAL 440 Ca 0.27 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1ign s VAL 440 Cb 0.20 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1ign s VAL 440 CO 0.43 -1.43 1.29 -0.76 0.00 0.00 0.00 175.10 174.63 1ign s LEU 441 N 4.71 4.32 1.00 3.92 1.43 -1.26 -4.95 118.68 127.84 1ign s LEU 441 Ca 0.34 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 1ign s LEU 441 Cb -0.11 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.74 1ign s LEU 441 CO 0.18 -0.61 1.20 -2.16 0.23 0.00 0.00 176.35 175.20 1ign s PRO 442 N 1.89 0.41 0.63 1.29 0.04 -1.26 -4.99 135.00 133.01 1ign s PRO 442 Ca 0.60 -0.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 1ign s PRO 442 Cb -0.29 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1ign s PRO 442 CO 0.26 -2.62 1.11 -1.25 0.04 0.00 0.00 177.00 174.54 1ign s PRO 443 N -5.55 2.94 0.00 0.56 0.04 -1.26 -4.89 135.00 126.84 1ign s PRO 443 Ca 0.69 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ign s PRO 443 Cb -0.09 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1ign s PRO 443 CO 0.54 -1.15 0.00 -1.13 0.04 0.00 0.00 177.00 175.30 1ign n SER 444 N -2.14 0.00 0.02 6.66 3.41 -1.26 -4.54 113.62 115.77 1ign n SER 444 Ca 0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 1ign n SER 444 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 1ign n SER 444 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ign h ILE 445 N 0.00 0.94 -3.87 -1.33 2.04 -1.97 -3.47 117.51 109.86 1ign h ILE 445 Ca 0.00 -2.68 -0.61 0.00 1.00 0.00 0.00 64.86 62.57 1ign h ILE 445 Cb 0.00 2.59 -0.22 0.00 -0.74 0.00 0.00 36.82 38.45 1ign h ILE 445 CO 0.00 0.74 -0.84 -0.54 0.00 0.00 0.00 178.15 177.51 1ign s LYS 446 N -2.60 1.25 -0.00 2.37 1.02 -1.26 -5.14 119.74 115.38 1ign s LYS 446 Ca -0.10 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 54.70 1ign s LYS 446 Cb 0.07 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1ign s LYS 446 CO 0.82 0.37 -0.23 0.50 -0.92 0.00 0.00 175.35 175.89 1ign s ARG 447 N -2.02 1.80 0.68 1.68 3.52 -1.26 -5.14 118.95 118.21 1ign s ARG 447 Ca 0.10 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.72 1ign s ARG 447 Cb -0.10 -1.80 0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1ign s ARG 447 CO 0.05 0.49 1.05 0.15 -0.81 0.00 0.00 175.30 176.23 1ign s LYS 448 N -0.72 2.90 -0.24 5.12 1.02 -1.26 -5.06 119.74 121.51 1ign s LYS 448 Ca 0.09 0.36 -0.10 0.00 0.02 0.00 0.00 55.97 56.34 1ign s LYS 448 Cb -0.09 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1ign s LYS 448 CO -0.00 -0.94 0.15 -0.06 -0.92 0.00 0.00 175.35 173.58 1ign s PHE 449 N -3.27 3.30 0.52 3.18 0.08 -1.26 -5.08 117.98 115.45 1ign s PHE 449 Ca 0.57 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.80 1ign s PHE 449 Cb -0.11 -2.26 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1ign s PHE 449 CO 0.50 0.05 0.77 -1.54 -0.10 0.00 0.00 175.22 174.91 1ign s SER 450 N 1.05 5.59 0.28 1.36 1.04 -1.26 -4.67 113.70 117.09 1ign s SER 450 Ca 0.07 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 1ign s SER 450 Cb -0.14 -1.41 0.40 0.00 0.10 0.00 0.00 66.02 64.98 1ign s SER 450 CO 0.04 -0.95 1.83 0.00 0.98 0.00 0.00 173.24 175.15 1ign h ALA 451 N 0.11 1.22 -0.83 5.32 0.00 -1.92 -1.82 119.26 121.34 1ign h ALA 451 Ca -0.45 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1ign h ALA 451 Cb 1.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ign h ALA 451 CO 0.57 0.54 0.55 -0.44 0.00 0.00 0.00 179.25 180.47 1ign h ASP 452 N 0.80 0.95 -0.20 0.00 5.19 -1.94 0.23 116.42 121.44 1ign h ASP 452 Ca 0.18 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 1ign h ASP 452 Cb 0.29 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1ign h ASP 452 CO -0.00 0.68 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.34 1ign h GLU 453 N 1.12 0.44 -0.65 3.56 5.08 -1.74 -0.25 114.58 122.13 1ign h GLU 453 Ca 0.31 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1ign h GLU 453 Cb -0.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1ign h GLU 453 CO -0.07 0.75 0.13 -0.44 -1.00 0.00 0.00 179.01 178.38 1ign h ASP 454 N 0.12 1.02 -0.05 1.42 3.32 -0.99 -2.03 116.42 119.22 1ign h ASP 454 Ca 0.04 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ign h ASP 454 Cb 0.64 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ign h ASP 454 CO 0.04 1.01 0.02 0.22 -1.72 0.00 0.00 179.24 178.80 1ign h TYR 455 N 0.98 0.08 -0.99 4.55 3.20 -0.53 0.79 116.97 125.05 1ign h TYR 455 Ca 0.20 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.22 1ign h TYR 455 Cb 0.41 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 1ign h TYR 455 CO 0.03 0.24 0.62 1.15 -1.64 0.00 0.00 178.16 178.56 1ign h THR 456 N -0.10 0.82 -0.30 1.81 2.02 -0.91 0.19 112.91 116.45 1ign h THR 456 Ca 0.02 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.75 1ign h THR 456 Cb 0.20 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1ign h THR 456 CO -0.00 0.16 -0.41 0.25 0.37 0.00 0.00 175.52 175.89 1ign h LEU 457 N 0.86 0.88 0.30 2.58 5.85 -1.11 -0.68 115.31 124.00 1ign h LEU 457 Ca 0.53 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ign h LEU 457 Cb 0.69 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ign h LEU 457 CO -0.31 1.21 -0.15 0.00 -0.34 0.00 0.00 178.44 178.86 1ign h ALA 458 N 0.69 -0.41 0.11 1.25 0.00 0.78 -0.47 119.26 121.22 1ign h ALA 458 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ign h ALA 458 Cb 1.01 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ign h ALA 458 CO 0.10 -0.69 -0.11 0.82 0.00 0.00 0.00 179.25 179.37 1ign h ILE 459 N -0.49 0.75 -0.98 0.00 1.08 -0.74 -1.66 117.51 115.47 1ign h ILE 459 Ca -0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.53 1ign h ILE 459 Cb 0.37 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 34.80 1ign h ILE 459 CO 0.07 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 178.15 1ign h ALA 460 N 0.63 1.52 -0.16 1.87 0.00 -1.04 0.99 119.26 123.06 1ign h ALA 460 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ign h ALA 460 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ign h ALA 460 CO -0.03 0.27 -0.52 0.28 0.00 0.00 0.00 179.25 179.25 1ign h VAL 461 N 1.01 1.33 -0.34 0.00 2.07 -0.91 -2.73 116.25 116.69 1ign h VAL 461 Ca 0.46 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 1ign h VAL 461 Cb 0.40 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1ign h VAL 461 CO -0.22 0.54 -0.20 0.50 0.02 0.00 0.00 177.57 178.21 1ign h LYS 462 N 0.36 0.73 -0.42 1.57 3.64 -0.15 -1.11 116.57 121.18 1ign h LYS 462 Ca 0.01 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1ign h LYS 462 Cb 1.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1ign h LYS 462 CO 0.09 0.94 0.26 0.87 -2.27 0.00 0.00 179.45 179.35 1ign h LYS 463 N 0.50 0.56 0.04 1.90 1.57 -0.87 0.89 116.57 121.16 1ign h LYS 463 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ign h LYS 463 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1ign h LYS 463 CO 0.06 0.39 -0.02 0.37 -0.57 0.00 0.00 179.45 179.68 1ign h GLN 464 N 0.58 -0.05 -0.40 3.15 5.75 -1.15 -1.79 115.11 121.20 1ign h GLN 464 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1ign h GLN 464 Cb -0.04 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1ign h GLN 464 CO -0.03 0.30 0.25 0.74 -2.65 0.00 0.00 178.83 177.44 1ign h PHE 465 N -0.40 0.51 -0.55 3.99 0.04 -0.78 -2.13 116.94 117.63 1ign h PHE 465 Ca -0.01 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.85 1ign h PHE 465 Cb 0.37 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 1ign h PHE 465 CO 0.04 0.34 0.19 -0.92 -0.60 0.00 0.00 178.31 177.37 1ign h TYR 466 N 0.53 0.34 -0.18 -0.55 3.20 -0.84 -0.63 116.97 118.83 1ign h TYR 466 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ign h TYR 466 Cb -0.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1ign h TYR 466 CO -0.04 0.09 0.11 0.00 -1.64 0.00 0.00 178.16 176.68 1ign h ARG 467 N 0.37 0.24 -0.22 1.82 3.08 -0.91 0.70 114.38 119.47 1ign h ARG 467 Ca 0.27 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1ign h ARG 467 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ign h ARG 467 CO -0.28 0.20 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.22 1ign h ASP 468 N 0.22 0.36 0.01 7.04 3.32 -1.09 0.17 116.42 126.44 1ign h ASP 468 Ca 0.07 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ign h ASP 468 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1ign h ASP 468 CO -0.01 0.56 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.99 1ign h LEU 469 N 0.35 -0.01 0.00 1.55 3.38 -0.89 -3.40 115.31 116.29 1ign h LEU 469 Ca 0.06 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1ign h LEU 469 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ign h LEU 469 CO 0.03 0.89 -1.19 0.49 0.09 0.00 0.00 178.44 178.75 1ign n PHE 470 N -4.66 0.00 -2.79 1.13 3.72 0.22 -4.97 117.46 110.11 1ign n PHE 470 Ca -0.09 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.12 1ign n PHE 470 Cb 0.41 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1ign n PHE 470 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ign n GLN 471 N -1.66 -3.05 -4.31 -1.08 1.13 0.58 -4.96 117.38 104.04 1ign n GLN 471 Ca 0.02 0.71 -0.21 0.00 -1.94 0.00 0.00 57.00 55.58 1ign n GLN 471 Cb 0.37 -5.41 -0.11 0.00 0.11 0.00 0.00 30.24 25.19 1ign n GLN 471 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ign s ILE 472 N -2.90 1.69 -0.16 5.09 1.01 -1.26 -1.71 121.20 122.96 1ign s ILE 472 Ca 0.17 -1.84 -0.29 0.00 0.00 0.00 0.00 60.65 58.68 1ign s ILE 472 Cb -0.08 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 1ign s ILE 472 CO 0.21 -0.32 1.03 -0.62 0.00 0.00 0.00 174.94 175.23 1ign s ASP 473 N -2.57 7.17 0.22 3.58 2.15 -0.20 -4.42 116.67 122.60 1ign s ASP 473 Ca 0.13 1.47 -0.09 0.00 0.43 0.00 0.00 52.55 54.50 1ign s ASP 473 Cb -0.06 -2.55 0.19 0.00 -0.30 0.00 0.00 42.92 40.21 1ign s ASP 473 CO 0.06 -0.56 1.90 -0.65 -0.17 0.00 0.00 175.17 175.74 1ign h PRO 474 N 7.29 1.11 -0.15 4.34 0.11 -1.91 0.88 132.00 143.67 1ign h PRO 474 Ca -0.25 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1ign h PRO 474 Cb 1.11 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1ign h PRO 474 CO 0.92 0.73 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.97 1ign h ASP 475 N 1.14 0.30 0.00 -2.05 3.32 -1.99 -3.42 116.42 113.72 1ign h ASP 475 Ca 0.31 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1ign h ASP 475 Cb -0.13 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1ign h ASP 475 CO -0.07 0.59 -1.05 0.35 -1.72 0.00 0.00 179.24 177.35 1ign n THR 476 N -4.70 0.05 0.00 0.35 -2.24 -1.17 -5.03 114.28 101.53 1ign n THR 476 Ca -0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1ign n THR 476 Cb 0.25 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1ign n THR 476 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ign n GLY 477 N 3.04 0.84 3.50 3.38 0.00 0.29 -5.00 105.19 111.25 1ign n GLY 477 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1ign n GLY 477 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ign n ARG 478 N -0.87 0.52 -3.35 1.61 0.63 -1.26 -4.39 116.66 109.56 1ign n ARG 478 Ca 0.00 0.21 -0.38 0.00 -0.92 0.00 0.00 57.85 56.76 1ign n ARG 478 Cb 0.00 -1.86 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 1ign n ARG 478 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ign s SER 479 N -1.30 6.92 -0.35 6.15 0.15 -1.26 -1.04 113.70 122.98 1ign s SER 479 Ca 0.70 1.10 0.05 0.00 0.70 0.00 0.00 55.95 58.49 1ign s SER 479 Cb -0.41 -2.31 0.59 0.00 -1.71 0.00 0.00 66.02 62.18 1ign s SER 479 CO 0.53 0.24 1.73 0.18 1.20 0.00 0.00 173.24 177.13 1ign n LEU 480 N 2.11 5.94 -0.38 3.45 4.77 -0.69 -4.95 117.00 127.25 1ign n LEU 480 Ca -0.11 -3.14 0.11 0.00 -0.03 0.00 0.00 56.01 52.85 1ign n LEU 480 Cb 0.51 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1ign n LEU 480 CO 0.40 0.89 0.30 -0.38 -1.33 0.00 0.00 177.39 177.28 1ign n ILE 481 N -0.62 0.00 0.00 -0.08 2.08 -1.26 -5.01 119.36 114.47 1ign n ILE 481 Ca 0.45 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.57 1ign n ILE 481 Cb 1.41 1.08 0.00 0.00 -0.75 0.00 0.00 39.64 41.38 1ign n ILE 481 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1ign n ARG 513 N -0.36 0.00 -3.99 0.38 -4.01 -1.26 -5.28 116.66 102.15 1ign n ARG 513 Ca 0.09 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.80 1ign n ARG 513 Cb 0.43 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.79 1ign n ARG 513 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1ign s THR 514 N -0.54 0.01 0.34 8.89 2.01 -1.26 -5.07 115.64 120.02 1ign s THR 514 Ca 0.00 -1.39 -0.09 0.00 0.31 0.00 0.00 61.69 60.51 1ign s THR 514 Cb 0.00 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1ign s THR 514 CO 0.00 -0.05 0.59 0.00 -0.69 0.00 0.00 174.62 174.47 1ign s GLN 515 N -4.01 1.94 -0.41 4.92 0.00 -1.26 -5.06 119.66 115.78 1ign s GLN 515 Ca 0.22 -1.53 0.08 0.00 -0.00 0.00 0.00 55.36 54.13 1ign s GLN 515 Cb 0.00 0.51 0.38 0.00 0.00 0.00 0.00 33.01 33.90 1ign s GLN 515 CO 0.07 -0.85 1.31 0.43 0.00 0.00 0.00 175.29 176.25 1ign n SER 516 N -1.18 -2.00 -4.00 12.60 7.64 -1.26 -4.85 113.62 120.58 1ign n SER 516 Ca -0.03 -2.71 -0.13 0.00 1.01 0.00 0.00 58.87 57.01 1ign n SER 516 Cb 0.61 1.21 -0.13 0.00 -1.01 0.00 0.00 64.21 64.89 1ign n SER 516 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ign s ARG 517 N 0.21 0.41 0.23 1.43 1.70 -1.26 -5.07 118.95 116.60 1ign s ARG 517 Ca 0.22 -0.47 0.12 0.00 -0.47 0.00 0.00 55.73 55.14 1ign s ARG 517 Cb 0.38 -0.25 0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1ign s ARG 517 CO -0.08 0.05 1.42 0.00 -1.08 0.00 0.00 175.30 175.61 1ign h ARG 518 N 5.20 0.00 0.00 3.89 3.08 -2.00 -3.50 114.38 121.05 1ign h ARG 518 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ign h ARG 518 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1ign h ARG 518 CO 0.45 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 180.43 1ign n GLY 519 N 1.13 -0.57 3.73 0.04 0.00 -1.26 -4.73 105.19 103.53 1ign n GLY 519 Ca 0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1ign n GLY 519 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ign s PRO 520 N -1.09 1.10 -0.11 1.61 0.04 -1.26 -5.12 135.00 130.16 1ign s PRO 520 Ca 0.00 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 1ign s PRO 520 Cb 0.00 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1ign s PRO 520 CO 0.00 -2.30 0.35 0.42 0.04 0.00 0.00 177.00 175.51 1ign s ILE 521 N -3.04 5.23 0.95 0.56 -1.09 -1.26 -5.01 121.20 117.54 1ign s ILE 521 Ca 0.64 0.68 -0.14 0.00 -2.23 0.00 0.00 60.65 59.60 1ign s ILE 521 Cb -0.17 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1ign s ILE 521 CO 0.56 0.43 -0.00 0.00 -1.23 0.00 0.00 174.94 174.70 1ign n ALA 522 N 3.08 -3.54 -1.85 9.38 0.00 -1.26 -4.86 120.51 121.47 1ign n ALA 522 Ca -0.12 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1ign n ALA 522 Cb 0.52 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1ign n ALA 522 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ign s ARG 523 N -3.03 4.18 -2.00 0.00 3.52 -1.26 -2.57 118.95 117.79 1ign s ARG 523 Ca 0.52 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 1ign s ARG 523 Cb -0.21 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1ign s ARG 523 CO 0.72 -0.70 0.00 0.39 -0.81 0.00 0.00 175.30 174.90 1ign n GLU 524 N 4.50 -1.48 -0.16 5.12 1.02 -1.26 -4.89 120.64 123.49 1ign n GLU 524 Ca 0.15 1.11 -0.03 0.00 -0.02 0.00 0.00 57.16 58.38 1ign n GLU 524 Cb 0.38 -5.52 0.06 0.00 -0.02 0.00 0.00 31.44 26.34 1ign n GLU 524 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ign h PHE 525 N 0.00 0.25 0.00 -0.32 3.57 -1.84 -1.30 116.94 117.30 1ign h PHE 525 Ca -0.41 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.04 1ign h PHE 525 Cb 1.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1ign h PHE 525 CO 0.55 0.06 -0.40 0.74 -2.23 0.00 0.00 178.31 177.03 1ign h PHE 526 N 0.31 0.00 -0.05 0.41 0.04 -1.90 -0.43 116.94 115.32 1ign h PHE 526 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 1ign h PHE 526 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ign h PHE 526 CO -0.18 0.40 -0.00 -0.22 -0.60 0.00 0.00 178.31 177.71 1ign h LYS 527 N 0.00 0.08 -0.20 1.51 3.64 -1.72 -0.73 116.57 119.15 1ign h LYS 527 Ca -0.00 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1ign h LYS 527 Cb 1.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1ign h LYS 527 CO 0.05 0.37 -0.61 0.45 -2.27 0.00 0.00 179.45 177.44 1ign h HIS 528 N -0.22 0.85 -0.43 1.91 3.86 -1.23 -1.72 115.15 118.16 1ign h HIS 528 Ca 0.01 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1ign h HIS 528 Cb 0.34 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1ign h HIS 528 CO 0.04 1.11 0.27 0.35 0.86 0.00 0.00 177.93 180.55 1ign h PHE 529 N 0.50 0.51 0.00 2.45 3.04 -1.05 0.05 116.94 122.44 1ign h PHE 529 Ca -0.01 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 1ign h PHE 529 Cb 1.19 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1ign h PHE 529 CO 0.06 0.31 -0.22 0.00 -2.02 0.00 0.00 178.31 176.45 1ign h ALA 530 N 1.17 1.60 -0.01 2.41 0.00 -1.00 0.14 119.26 123.58 1ign h ALA 530 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ign h ALA 530 Cb -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ign h ALA 530 CO -0.06 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.39 1ign h GLU 531 N 0.00 0.02 0.00 0.00 5.08 -0.67 -1.95 114.58 117.05 1ign h GLU 531 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ign h GLU 531 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ign h GLU 531 CO 0.03 0.57 0.00 0.93 -1.00 0.00 0.00 179.01 179.53 1ign h GLU 532 N -0.53 0.00 -2.06 2.33 5.08 -0.71 -3.33 114.58 115.36 1ign h GLU 532 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1ign h GLU 532 Cb 0.56 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.43 1ign h GLU 532 CO 0.00 0.00 -1.09 0.72 -1.00 0.00 0.00 179.01 177.65 1ign n HIS 533 N -2.82 -0.44 0.88 4.33 8.25 0.45 -5.01 115.22 120.86 1ign n HIS 533 Ca 0.02 -3.52 0.00 0.00 -0.26 0.00 0.00 57.72 53.96 1ign n HIS 533 Cb 0.36 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1ign n HIS 533 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ign n ALA 534 N 1.63 2.19 0.25 -1.41 0.00 -0.73 -3.70 120.51 118.74 1ign n ALA 534 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1ign n ALA 534 Cb 0.52 -1.00 0.59 0.00 0.00 0.00 0.00 19.45 19.56 1ign n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ign h ALA 535 N 1.88 1.07 -2.48 0.00 0.00 -1.95 -3.44 119.26 114.34 1ign h ALA 535 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1ign h ALA 535 Cb 0.35 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 1ign h ALA 535 CO 0.00 0.18 -0.72 -1.01 0.00 0.00 0.00 179.25 177.70 1ign s HIS 536 N -3.78 1.06 0.87 0.00 3.76 -1.24 -4.92 115.29 111.03 1ign s HIS 536 Ca -0.00 -0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 54.03 1ign s HIS 536 Cb 0.11 -0.57 0.13 0.00 1.11 0.00 0.00 32.58 33.35 1ign s HIS 536 CO 0.60 -0.02 1.23 0.95 -0.85 0.00 0.00 174.74 176.65 1ign s THR 537 N -2.96 2.00 0.19 1.30 -4.23 -1.26 -4.77 115.64 105.91 1ign s THR 537 Ca 0.10 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1ign s THR 537 Cb 0.01 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.96 1ign s THR 537 CO -0.01 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.83 1ign h GLU 538 N -1.27 0.77 -0.64 3.99 4.81 -1.91 -1.47 114.58 118.86 1ign h GLU 538 Ca -0.45 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1ign h GLU 538 Cb 1.29 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1ign h GLU 538 CO 0.55 0.51 0.24 -0.91 -0.73 0.00 0.00 179.01 178.67 1ign h ASN 539 N 0.79 0.90 -0.58 1.04 2.35 -1.93 -1.99 115.58 116.16 1ign h ASN 539 Ca 0.25 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1ign h ASN 539 Cb -0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1ign h ASN 539 CO -0.09 0.83 0.12 0.00 -1.65 0.00 0.00 177.43 176.65 1ign h ALA 540 N 1.10 0.77 -0.62 -0.83 0.00 -1.83 -2.69 119.26 115.16 1ign h ALA 540 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ign h ALA 540 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ign h ALA 540 CO -0.01 0.50 0.12 -1.49 0.00 0.00 0.00 179.25 178.36 1ign h TRP 541 N 0.85 1.07 -0.27 0.00 4.06 -1.12 -2.52 115.95 118.02 1ign h TRP 541 Ca 0.18 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1ign h TRP 541 Cb 0.39 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1ign h TRP 541 CO 0.03 0.90 0.13 -0.09 -3.56 0.00 0.00 178.44 175.85 1ign h ARG 542 N 0.92 0.39 -0.47 0.49 2.43 -1.27 -2.24 114.38 114.63 1ign h ARG 542 Ca 0.19 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1ign h ARG 542 Cb 0.40 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ign h ARG 542 CO 0.01 0.38 -0.03 0.22 -1.51 0.00 0.00 179.97 179.04 1ign h ASP 543 N 0.30 0.77 0.08 -3.80 3.58 -1.47 0.58 116.42 116.45 1ign h ASP 543 Ca 0.09 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1ign h ASP 543 Cb 0.13 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ign h ASP 543 CO -0.01 0.85 -0.06 -0.09 -2.88 0.00 0.00 179.24 177.05 1ign h ARG 544 N 0.73 0.00 0.06 0.28 9.65 -1.28 0.31 114.38 124.13 1ign h ARG 544 Ca 0.14 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1ign h ARG 544 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1ign h ARG 544 CO 0.02 0.06 -0.03 0.35 2.80 0.00 0.00 179.97 183.18 1ign h PHE 545 N 0.00 -0.07 -0.61 2.20 3.57 -0.63 -0.23 116.94 121.16 1ign h PHE 545 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ign h PHE 545 Cb 0.12 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1ign h PHE 545 CO 0.00 0.37 0.34 0.00 -2.23 0.00 0.00 178.31 176.78 1ign h ARG 546 N -0.97 0.62 0.00 1.11 3.08 -0.51 0.52 114.38 118.22 1ign h ARG 546 Ca -0.01 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1ign h ARG 546 Cb 0.47 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1ign h ARG 546 CO 0.01 0.41 -1.78 1.63 -1.07 0.00 0.00 179.97 179.17 1ign n LYS 547 N -4.81 0.65 -0.01 0.04 4.76 0.10 -4.42 118.16 114.48 1ign n LYS 547 Ca 0.07 0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.52 1ign n LYS 547 Cb 0.15 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 1ign n LYS 547 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ign n PHE 548 N -2.67 0.00 -0.22 2.13 3.01 -0.85 -4.36 117.46 114.50 1ign n PHE 548 Ca -0.13 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.32 1ign n PHE 548 Cb 0.83 -0.19 0.11 0.00 -0.01 0.00 0.00 39.48 40.21 1ign n PHE 548 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ign h LEU 549 N -0.39 0.43 -0.62 4.37 6.46 -0.73 -0.77 115.31 124.06 1ign h LEU 549 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1ign h LEU 549 Cb 0.39 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1ign h LEU 549 CO 0.00 0.26 0.00 -0.07 -0.62 0.00 0.00 178.44 178.01 1ign h LEU 550 N 0.58 0.00 0.01 2.25 3.38 -1.11 0.49 115.31 120.90 1ign h LEU 550 Ca 0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 1ign h LEU 550 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1ign h LEU 550 CO -0.24 0.00 -1.56 0.00 0.09 0.00 0.00 178.44 176.73 1ign h ALA 551 N 2.07 0.66 0.04 1.53 0.00 -1.57 -3.36 119.26 118.63 1ign h ALA 551 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 54.91 53.28 1ign h ALA 551 Cb 0.74 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ign h ALA 551 CO 0.00 1.50 -1.59 -0.92 0.00 0.00 0.00 179.25 178.23 1ign h TYR 552 N 0.00 0.15 0.00 0.00 5.03 -1.15 -3.51 116.97 117.49 1ign h TYR 552 Ca -0.23 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 60.97 1ign h TYR 552 Cb 1.96 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.24 1ign h TYR 552 CO 0.00 1.17 0.00 0.41 -1.32 0.00 0.00 178.16 178.43 1ign n GLY 553 N 1.60 1.72 0.30 1.82 0.00 0.16 -4.65 105.19 106.14 1ign n GLY 553 Ca -0.16 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1ign n GLY 553 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ign h ILE 554 N 0.00 1.21 -0.01 -0.61 2.04 -1.91 -2.20 117.51 116.03 1ign h ILE 554 Ca 0.00 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ign h ILE 554 Cb 0.00 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1ign h ILE 554 CO 0.00 0.21 -0.00 0.44 0.00 0.00 0.00 178.15 178.80 1ign h ASP 555 N 1.02 0.02 -0.58 1.72 3.32 -1.92 -2.26 116.42 117.73 1ign h ASP 555 Ca 0.27 -0.40 0.11 0.00 0.02 0.00 0.00 57.03 57.03 1ign h ASP 555 Cb -0.05 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.38 1ign h ASP 555 CO -0.05 0.42 -0.20 0.44 -1.72 0.00 0.00 179.24 178.13 1ign h ASP 556 N -0.39 -0.70 -0.06 6.45 5.19 -1.80 -0.50 116.42 124.61 1ign h ASP 556 Ca 0.00 0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1ign h ASP 556 Cb 0.41 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 1ign h ASP 556 CO 0.00 -0.23 -0.47 0.22 -3.12 0.00 0.00 179.24 175.64 1ign h TYR 557 N -0.05 0.75 -0.39 4.55 3.20 -1.42 -1.60 116.97 122.00 1ign h TYR 557 Ca 0.27 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1ign h TYR 557 Cb 0.47 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1ign h TYR 557 CO -0.52 0.97 0.23 0.82 -1.64 0.00 0.00 178.16 178.02 1ign h ILE 558 N 0.49 1.05 -0.27 1.81 2.04 -0.58 0.14 117.51 122.20 1ign h ILE 558 Ca 0.03 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1ign h ILE 558 Cb 1.01 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ign h ILE 558 CO 0.09 0.09 -0.16 0.77 0.00 0.00 0.00 178.15 178.94 1ign h SER 559 N 0.47 0.60 0.55 1.72 4.64 -1.14 -1.15 113.55 119.24 1ign h SER 559 Ca 0.15 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1ign h SER 559 Cb -0.01 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1ign h SER 559 CO -0.06 0.90 -0.50 0.22 -0.87 0.00 0.00 176.83 176.52 1ign h TYR 560 N 0.31 -1.37 -0.30 4.77 3.20 -1.09 0.31 116.97 122.80 1ign h TYR 560 Ca 0.06 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1ign h TYR 560 Cb 0.69 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 39.43 1ign h TYR 560 CO 0.07 -0.68 -0.09 -0.92 -1.64 0.00 0.00 178.16 174.90 1ign h TYR 561 N -1.03 -0.20 0.00 -3.82 5.03 -0.75 -1.64 116.97 114.56 1ign h TYR 561 Ca -0.07 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 1ign h TYR 561 Cb 0.88 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.29 1ign h TYR 561 CO -0.23 -0.15 -0.14 0.93 -1.32 0.00 0.00 178.16 177.26 1ign h GLU 562 N -0.03 0.00 -0.84 1.82 5.08 -1.01 -3.03 114.58 116.57 1ign h GLU 562 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ign h GLU 562 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1ign h GLU 562 CO -0.32 0.14 0.44 0.00 -1.00 0.00 0.00 179.01 178.27 1ign h ALA 563 N 1.86 1.08 -3.00 3.43 0.00 0.64 -3.50 119.26 119.77 1ign h ALA 563 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ign h ALA 563 Cb 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ign h ALA 563 CO 0.02 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.27 1ign n GLU 564 N -4.36 0.00 0.12 0.00 -0.58 -1.15 -5.11 120.64 109.56 1ign n GLU 564 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1ign n GLU 564 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 1ign n GLU 564 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ign n GLU 572 N 0.00 0.00 -1.54 3.49 -0.58 -1.26 -5.08 120.64 115.68 1ign n GLU 572 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1ign n GLU 572 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 1ign n GLU 572 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ign s PRO 573 N -2.00 2.57 0.70 3.49 0.04 -1.26 -4.66 135.00 133.88 1ign s PRO 573 Ca 0.00 1.28 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 1ign s PRO 573 Cb 0.00 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1ign s PRO 573 CO 0.00 -1.41 1.20 -1.64 0.04 0.00 0.00 177.00 175.19 1ign s MET 574 N -4.48 2.35 0.18 4.56 -1.94 -1.26 -4.95 119.30 113.77 1ign s MET 574 Ca 0.64 1.74 -0.15 0.00 -1.71 0.00 0.00 55.69 56.21 1ign s MET 574 Cb -0.19 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 34.81 1ign s MET 574 CO 0.48 -1.67 0.45 0.21 -0.01 0.00 0.00 175.02 174.48 1ign s LYS 575 N -3.82 1.30 -0.42 2.03 2.47 -1.26 -5.01 119.74 115.02 1ign s LYS 575 Ca 0.74 -0.94 -0.14 0.00 -1.56 0.00 0.00 55.97 54.08 1ign s LYS 575 Cb -0.29 0.48 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 1ign s LYS 575 CO 0.43 -0.53 0.42 -1.71 0.16 0.00 0.00 175.35 174.12 1ign n ASN 576 N -0.30 -3.41 0.00 1.43 5.15 -1.26 -4.89 115.26 111.98 1ign n ASN 576 Ca -0.10 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1ign n ASN 576 Cb 0.63 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1ign n ASN 576 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ign n LEU 577 N -1.00 0.18 0.00 1.20 4.32 -1.26 -5.20 117.00 115.23 1ign n LEU 577 Ca -0.14 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1ign n LEU 577 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1ign n LEU 577 CO 0.40 0.04 0.00 0.41 -1.22 0.00 0.00 177.39 177.02 1ign n THR 578 N -0.03 0.00 -0.68 -5.08 -1.04 -1.26 -4.96 114.28 101.23 1ign n THR 578 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1ign n THR 578 Cb 0.17 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.69 1ign n THR 578 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ign n PRO 587 N 0.00 0.00 -1.93 -2.82 -0.04 -1.26 -5.17 135.00 123.78 1ign n PRO 587 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1ign n PRO 587 Cb 0.00 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 1ign n PRO 587 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ign s THR 588 N -1.17 2.63 0.38 0.52 2.01 -1.26 -5.00 115.64 113.75 1ign s THR 588 Ca 0.30 0.44 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 1ign s THR 588 Cb -0.22 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1ign s THR 588 CO 0.43 0.03 0.80 -2.84 -0.69 0.00 0.00 174.62 172.35 1ign s PRO 589 N 1.24 3.99 0.00 4.92 0.02 -1.26 -4.38 135.00 139.53 1ign s PRO 589 Ca 0.70 0.73 0.00 0.00 0.02 0.00 0.00 61.00 62.46 1ign s PRO 589 Cb -0.44 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1ign s PRO 589 CO 0.31 0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.43 1ign n GLY 590 N -0.73 0.95 2.56 0.52 0.00 -1.26 -5.02 105.19 102.21 1ign n GLY 590 Ca 0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1ign n GLY 590 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ign s ASN 591 N -2.86 0.29 -0.98 1.61 2.47 -1.26 -5.05 114.94 109.16 1ign s ASN 591 Ca 0.00 -2.46 -0.14 0.00 0.42 0.00 0.00 52.86 50.68 1ign s ASN 591 Cb 0.00 0.53 0.21 0.00 -1.45 0.00 0.00 41.25 40.53 1ign s ASN 591 CO 0.00 -0.13 1.03 -0.31 -3.72 0.00 0.00 177.10 173.97 1ign s TYR 592 N 0.46 3.70 0.00 0.43 1.51 -1.26 -5.01 117.35 117.18 1ign s TYR 592 Ca 0.31 -2.04 0.00 0.00 -1.01 0.00 0.00 57.07 54.33 1ign s TYR 592 Cb 0.01 -4.00 0.00 0.00 -0.11 0.00 0.00 41.96 37.86 1ign s TYR 592 CO -0.13 -1.16 0.00 0.27 -1.11 0.00 0.00 175.55 173.42 1ign n ASN 593 N 4.51 0.00 -0.04 2.29 0.23 -1.26 -1.76 115.26 119.23 1ign n ASN 593 Ca 0.22 -0.40 0.16 0.00 -0.53 0.00 0.00 54.58 54.03 1ign n ASN 593 Cb 0.45 0.00 0.91 0.00 -2.08 0.00 0.00 39.78 39.06 1ign n ASN 593 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79