#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9j h HIS 449 N 0.00 0.21 -1.91 6.00 -0.00 -2.07 -3.34 115.15 114.04 3k9j h HIS 449 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.44 3k9j h HIS 449 Cb 0.00 -0.05 -0.21 0.00 -0.00 0.00 0.00 27.41 27.15 3k9j h HIS 449 CO 0.00 -0.10 0.01 -2.00 -0.00 0.00 0.00 177.93 175.84 3k9j s GLU 450 N -5.05 0.62 0.29 5.26 2.12 -1.26 -5.14 118.70 115.55 3k9j s GLU 450 Ca -0.06 1.24 -0.29 0.00 0.36 0.00 0.00 54.97 56.22 3k9j s GLU 450 Cb 0.28 0.41 -0.10 0.00 0.26 0.00 0.00 34.13 34.98 3k9j s GLU 450 CO 0.86 -0.16 1.45 -0.51 -0.54 0.00 0.00 175.26 176.35 3k9j s LEU 451 N 2.11 4.38 0.85 2.70 1.43 -1.26 -5.01 118.68 123.87 3k9j s LEU 451 Ca -0.08 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 3k9j s LEU 451 Cb -0.07 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.61 3k9j s LEU 451 CO -0.19 -0.73 1.18 0.42 0.23 0.00 0.00 176.35 177.26 3k9j s THR 452 N -0.43 2.00 0.14 5.49 -4.23 -1.26 -4.87 115.64 112.47 3k9j s THR 452 Ca 0.57 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.89 3k9j s THR 452 Cb -0.43 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 3k9j s THR 452 CO 0.49 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.20 3k9j h GLU 453 N -1.21 0.05 -0.86 3.99 4.81 -2.00 -1.51 114.58 117.86 3k9j h GLU 453 Ca -0.47 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3k9j h GLU 453 Cb 1.32 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3k9j h GLU 453 CO 0.63 0.03 0.56 -0.97 -0.73 0.00 0.00 179.01 178.53 3k9j h ASN 454 N 0.05 0.96 -0.39 1.04 -1.24 -1.99 -1.36 115.58 112.65 3k9j h ASN 454 Ca 0.12 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 3k9j h ASN 454 Cb 0.16 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3k9j h ASN 454 CO -0.22 0.68 -0.06 1.56 -1.29 0.00 0.00 177.43 178.10 3k9j h GLN 455 N 1.12 0.82 -0.48 6.67 4.20 -1.82 -0.66 115.11 124.96 3k9j h GLN 455 Ca 0.33 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3k9j h GLN 455 Cb -0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3k9j h GLN 455 CO -0.09 0.86 0.02 0.87 -0.67 0.00 0.00 178.83 179.82 3k9j h LYS 456 N 0.75 0.84 -0.92 1.46 1.57 -1.01 -2.02 116.57 117.23 3k9j h LYS 456 Ca 0.13 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3k9j h LYS 456 Cb 0.54 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3k9j h LYS 456 CO 0.03 0.87 0.61 -0.91 -0.57 0.00 0.00 179.45 179.48 3k9j h ASN 457 N 0.70 1.04 -0.48 0.86 -0.26 -0.78 -0.20 115.58 116.47 3k9j h ASN 457 Ca 0.14 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.74 3k9j h ASN 457 Cb 0.48 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3k9j h ASN 457 CO 0.02 0.75 -0.17 -0.09 -1.06 0.00 0.00 177.43 176.88 3k9j h ARG 458 N 1.23 0.96 -0.21 0.81 9.65 -1.00 -0.11 114.38 125.70 3k9j h ARG 458 Ca 0.34 -0.39 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3k9j h ARG 458 Cb -0.11 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 3k9j h ARG 458 CO -0.08 1.06 0.12 0.00 2.80 0.00 0.00 179.97 183.87 3k9j h ARG 459 N 0.81 0.29 -0.10 0.20 3.08 -1.05 -1.99 114.38 115.63 3k9j h ARG 459 Ca 0.11 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3k9j h ARG 459 Cb 0.74 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3k9j h ARG 459 CO 0.06 0.27 0.04 0.35 -1.07 0.00 0.00 179.97 179.61 3k9j h PHE 460 N 0.24 0.07 -0.02 3.04 3.57 -0.88 -1.28 116.94 121.67 3k9j h PHE 460 Ca 0.07 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3k9j h PHE 460 Cb 0.06 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3k9j h PHE 460 CO -0.04 0.04 -0.27 1.49 -2.23 0.00 0.00 178.31 177.29 3k9j h GLU 461 N 0.09 -0.39 -0.13 1.11 4.81 -0.98 -1.03 114.58 118.06 3k9j h GLU 461 Ca 0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3k9j h GLU 461 Cb 0.02 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3k9j h GLU 461 CO -0.04 -0.26 -0.00 0.28 -0.73 0.00 0.00 179.01 178.26 3k9j h VAL 462 N -0.41 1.26 -0.49 0.32 2.07 -1.30 -2.07 116.25 115.62 3k9j h VAL 462 Ca 0.07 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3k9j h VAL 462 Cb 0.50 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 3k9j h VAL 462 CO -0.25 0.24 0.18 0.28 0.02 0.00 0.00 177.57 178.04 3k9j h SER 463 N -0.04 0.18 -0.44 0.57 0.02 -1.21 0.09 113.55 112.73 3k9j h SER 463 Ca 0.04 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3k9j h SER 463 Cb 0.37 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3k9j h SER 463 CO 0.01 0.13 0.23 -1.28 -1.14 0.00 0.00 176.83 174.78 3k9j h SER 464 N 0.35 0.55 -0.38 3.07 0.87 -1.12 -1.55 113.55 115.34 3k9j h SER 464 Ca 0.24 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 3k9j h SER 464 Cb 0.25 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3k9j h SER 464 CO -0.24 0.50 -0.17 0.28 -0.53 0.00 0.00 176.83 176.67 3k9j h SER 465 N 0.57 0.87 -0.54 6.23 0.02 -1.00 -2.26 113.55 117.43 3k9j h SER 465 Ca 0.15 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3k9j h SER 465 Cb 0.08 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3k9j h SER 465 CO -0.02 1.02 0.17 -0.07 -1.14 0.00 0.00 176.83 176.79 3k9j h LEU 466 N 0.76 0.79 -0.21 5.07 3.38 -0.79 0.15 115.31 124.45 3k9j h LEU 466 Ca 0.11 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3k9j h LEU 466 Cb 0.69 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3k9j h LEU 466 CO 0.05 0.79 0.03 0.40 0.09 0.00 0.00 178.44 179.80 3k9j h ILE 467 N 0.75 0.89 -0.51 1.22 2.04 -1.22 -0.46 117.51 120.22 3k9j h ILE 467 Ca 0.17 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 3k9j h ILE 467 Cb 0.28 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3k9j h ILE 467 CO -0.00 0.02 0.09 -0.07 0.00 0.00 0.00 178.15 178.19 3k9j h LEU 468 N 0.10 0.79 -0.32 1.44 3.38 -1.27 -1.25 115.31 118.18 3k9j h LEU 468 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k9j h LEU 468 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3k9j h LEU 468 CO -0.14 0.84 0.20 -0.09 0.09 0.00 0.00 178.44 179.34 3k9j h ARG 469 N 0.71 0.44 -0.13 1.13 2.43 -0.57 -1.61 114.38 116.78 3k9j h ARG 469 Ca 0.16 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3k9j h ARG 469 Cb 0.38 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3k9j h ARG 469 CO 0.01 0.33 -0.34 -0.97 -1.51 0.00 0.00 179.97 177.48 3k9j h ASN 470 N 0.42 0.26 -0.34 -3.80 -0.73 -0.93 0.23 115.58 110.69 3k9j h ASN 470 Ca 0.12 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 3k9j h ASN 470 Cb 0.00 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 3k9j h ASN 470 CO -0.02 0.60 0.09 -0.74 -0.37 0.00 0.00 177.43 176.98 3k9j h HIS 471 N 0.22 0.57 -0.03 0.67 2.76 -0.93 -2.45 115.15 115.96 3k9j h HIS 471 Ca 0.03 -0.07 -0.16 0.00 -2.20 0.00 0.00 60.37 57.97 3k9j h HIS 471 Cb 0.72 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.53 3k9j h HIS 471 CO 0.01 0.58 -0.62 -0.97 -1.30 0.00 0.00 177.93 175.63 3k9j h ASN 472 N 0.40 0.59 -2.42 3.26 -1.24 -0.97 -3.41 115.58 111.79 3k9j h ASN 472 Ca 0.11 -0.73 -0.54 0.00 0.71 0.00 0.00 56.30 55.85 3k9j h ASN 472 Cb 0.29 -0.18 -0.37 0.00 0.73 0.00 0.00 38.32 38.79 3k9j h ASN 472 CO 0.00 1.23 -0.85 -1.83 -1.29 0.00 0.00 177.43 174.70 3k9j s GLU 473 N -3.34 0.64 0.08 6.67 -1.05 0.78 -5.11 118.70 117.37 3k9j s GLU 473 Ca -0.13 -1.42 -0.37 0.00 -0.15 0.00 0.00 54.97 52.91 3k9j s GLU 473 Cb 0.04 -1.21 -0.17 0.00 -0.44 0.00 0.00 34.13 32.35 3k9j s GLU 473 CO 0.83 -1.25 1.31 -2.30 0.95 0.00 0.00 175.26 174.80 3k9j n PRO 474 N 3.80 1.04 0.00 -4.83 -0.02 -0.92 -4.42 135.00 129.65 3k9j n PRO 474 Ca 0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3k9j n PRO 474 Cb 0.41 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3k9j n PRO 474 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k9j n PHE 475 N 2.38 0.00 -0.36 6.00 -1.74 -1.26 -4.87 117.46 117.61 3k9j n PHE 475 Ca 0.18 -0.07 0.03 0.00 -0.56 0.00 0.00 57.45 57.04 3k9j n PHE 475 Cb 0.18 -0.01 0.20 0.00 1.52 0.00 0.00 39.48 41.37 3k9j n PHE 475 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3k9j h LEU 476 N 0.00 1.01 0.00 5.98 3.38 -1.94 -0.17 115.31 123.56 3k9j h LEU 476 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k9j h LEU 476 Cb 0.48 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k9j h LEU 476 CO 0.00 0.63 0.00 -0.90 0.09 0.00 0.00 178.44 178.26 3k9j n ASP 477 N -4.51 0.00 -0.28 -0.43 5.75 -1.26 -2.16 116.55 113.66 3k9j n ASP 477 Ca 0.15 -0.71 0.10 0.00 -0.01 0.00 0.00 54.79 54.32 3k9j n ASP 477 Cb 0.20 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3k9j n ASP 477 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k9j n ARG 478 N -1.03 0.96 -2.38 0.11 1.74 -0.08 -4.86 116.66 111.12 3k9j n ARG 478 Ca 0.18 -0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 56.27 3k9j n ARG 478 Cb 0.10 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3k9j n ARG 478 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k9j s ILE 479 N -2.57 3.65 -0.11 0.55 1.01 -0.92 -1.64 121.20 121.17 3k9j s ILE 479 Ca 0.13 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.14 3k9j s ILE 479 Cb 0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3k9j s ILE 479 CO 0.65 0.19 -0.17 -0.69 0.00 0.00 0.00 174.94 174.92 3k9j s VAL 480 N 0.20 2.69 0.17 2.92 1.01 0.35 -4.30 120.40 123.44 3k9j s VAL 480 Ca 0.54 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3k9j s VAL 480 Cb -0.32 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3k9j s VAL 480 CO 0.35 0.54 -0.06 0.28 0.00 0.00 0.00 175.10 176.21 3k9j s THR 481 N 0.24 1.02 0.22 3.92 -1.32 0.26 -1.00 115.64 118.98 3k9j s THR 481 Ca -0.11 -2.03 -0.22 0.00 -1.21 0.00 0.00 61.69 58.11 3k9j s THR 481 Cb -0.16 -2.00 0.04 0.00 -1.51 0.00 0.00 72.50 68.87 3k9j s THR 481 CO 0.06 -0.61 0.72 0.00 -2.21 0.00 0.00 174.62 172.58 3k9j s ASP 483 N -2.85 -0.15 0.10 0.00 2.15 -1.06 -4.69 116.67 110.17 3k9j s ASP 483 Ca 0.08 -0.14 0.07 0.00 0.43 0.00 0.00 52.55 52.99 3k9j s ASP 483 Cb -0.04 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.81 3k9j s ASP 483 CO -0.00 -0.48 -0.12 -1.61 -0.17 0.00 0.00 175.17 172.80 3k9j s GLU 484 N -2.74 2.07 -0.08 4.34 8.01 -1.26 -2.04 118.70 127.01 3k9j s GLU 484 Ca 0.11 -1.05 -0.09 0.00 0.01 0.00 0.00 54.97 53.95 3k9j s GLU 484 Cb 0.01 -2.27 0.02 0.00 -4.31 0.00 0.00 34.13 27.58 3k9j s GLU 484 CO -0.03 0.51 0.25 0.21 0.01 0.00 0.00 175.26 176.20 3k9j s LYS 485 N -2.17 0.35 0.03 1.61 2.20 -0.44 -4.99 119.74 116.33 3k9j s LYS 485 Ca 0.21 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 3k9j s LYS 485 Cb -0.11 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 3k9j s LYS 485 CO 0.13 -0.06 0.99 -1.58 -0.36 0.00 0.00 175.35 174.48 3k9j s TRP 486 N -0.14 3.67 -0.30 4.03 0.52 -1.26 -0.76 118.94 124.70 3k9j s TRP 486 Ca -0.03 1.69 -0.08 0.00 0.02 0.00 0.00 56.10 57.71 3k9j s TRP 486 Cb -0.03 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.17 3k9j s TRP 486 CO 0.01 -0.06 0.10 0.42 0.02 0.00 0.00 176.95 177.44 3k9j s ILE 487 N 0.79 4.17 0.29 2.03 1.01 0.15 -4.96 121.20 124.68 3k9j s ILE 487 Ca 0.51 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 3k9j s ILE 487 Cb -0.22 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 3k9j s ILE 487 CO 0.29 0.07 0.98 -0.76 0.00 0.00 0.00 174.94 175.51 3k9j s LEU 488 N 1.54 4.49 0.12 2.97 1.43 -1.26 -2.36 118.68 125.61 3k9j s LEU 488 Ca 0.03 1.97 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 3k9j s LEU 488 Cb -0.17 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3k9j s LEU 488 CO 0.04 -0.02 1.64 1.88 0.23 0.00 0.00 176.35 180.12 3k9j h TYR 489 N 3.64 0.53 -3.56 0.29 -1.99 -1.80 -3.41 116.97 110.67 3k9j h TYR 489 Ca -0.46 -0.05 -0.67 0.00 2.00 0.00 0.00 58.73 59.55 3k9j h TYR 489 Cb 1.20 -0.16 -0.26 0.00 2.00 0.00 0.00 36.73 39.51 3k9j h TYR 489 CO 0.61 0.52 -0.65 0.34 -0.00 0.00 0.00 178.16 178.97 3k9j s ASP 490 N -5.83 4.90 0.00 3.88 2.15 -1.26 0.13 116.67 120.64 3k9j s ASP 490 Ca -0.13 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.26 3k9j s ASP 490 Cb 0.09 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 3k9j s ASP 490 CO 0.74 -0.13 0.54 -0.46 -0.17 0.00 0.00 175.17 175.69 3k9j n ASN 491 N 4.84 0.00 0.00 -0.34 0.23 -0.99 -5.03 115.26 113.97 3k9j n ASN 491 Ca -0.16 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3k9j n ASN 491 Cb 0.49 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3k9j n ASN 491 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 3k9j n PRO 515 N 0.00 0.00 -0.99 -0.53 -0.04 -1.26 -4.09 135.00 128.09 3k9j n PRO 515 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k9j n PRO 515 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3k9j n PRO 515 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3k9j n LYS 516 N 0.00 -0.62 -3.83 0.54 4.76 -1.26 -4.85 118.16 112.90 3k9j n LYS 516 Ca 0.00 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 3k9j n LYS 516 Cb 0.00 -3.63 -0.14 0.00 -1.84 0.00 0.00 35.03 29.41 3k9j n LYS 516 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3k9j s LYS 517 N -0.64 0.03 -0.07 1.97 1.02 -1.26 -2.99 119.74 117.80 3k9j s LYS 517 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.13 3k9j s LYS 517 Cb 0.00 -0.05 0.01 0.00 -0.52 0.00 0.00 37.83 37.27 3k9j s LYS 517 CO 0.00 -0.05 -0.15 0.54 -0.92 0.00 0.00 175.35 174.76 3k9j s VAL 518 N 0.34 1.36 -0.09 3.17 0.11 -0.99 -0.01 120.40 124.28 3k9j s VAL 518 Ca -0.03 -0.63 -0.22 0.00 -2.93 0.00 0.00 61.98 58.18 3k9j s VAL 518 Cb -0.04 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 3k9j s VAL 518 CO -0.01 0.40 0.63 -0.32 -3.33 0.00 0.00 175.10 172.47 3k9j s MET 519 N 0.46 4.40 -0.08 1.54 1.75 -1.26 -0.67 119.30 125.43 3k9j s MET 519 Ca -0.13 0.74 -0.00 0.00 -1.25 0.00 0.00 55.69 55.04 3k9j s MET 519 Cb -0.15 -3.45 -0.03 0.00 2.84 0.00 0.00 34.83 34.04 3k9j s MET 519 CO 0.04 0.08 -0.05 0.54 -0.65 0.00 0.00 175.02 174.99 3k9j s VAL 520 N 0.80 3.90 -0.05 10.11 0.11 0.06 -1.35 120.40 133.98 3k9j s VAL 520 Ca 0.34 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.03 3k9j s VAL 520 Cb -0.17 -2.62 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 3k9j s VAL 520 CO 0.15 0.59 -0.16 0.42 -3.33 0.00 0.00 175.10 172.77 3k9j s THR 521 N -0.71 2.88 -0.01 5.04 -4.23 -0.59 -1.33 115.64 116.69 3k9j s THR 521 Ca 0.11 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3k9j s THR 521 Cb -0.11 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.61 3k9j s THR 521 CO 0.02 0.59 -0.10 -0.51 -0.54 0.00 0.00 174.62 174.08 3k9j s ILE 522 N -0.69 0.79 -0.06 2.99 2.07 -0.86 -1.93 121.20 123.51 3k9j s ILE 522 Ca 0.11 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.97 3k9j s ILE 522 Cb -0.11 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.82 3k9j s ILE 522 CO 0.00 0.23 -0.10 0.26 -1.91 0.00 0.00 174.94 173.42 3k9j s TRP 523 N -0.07 1.24 0.23 3.50 0.52 0.78 -2.55 118.94 122.59 3k9j s TRP 523 Ca 0.01 -0.42 -0.21 0.00 0.02 0.00 0.00 56.10 55.50 3k9j s TRP 523 Cb -0.06 -0.93 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 3k9j s TRP 523 CO -0.00 -0.23 0.65 1.67 0.02 0.00 0.00 176.95 179.06 3k9j s TRP 524 N 0.66 -0.29 0.33 -1.98 1.48 -0.09 -0.77 118.94 118.29 3k9j s TRP 524 Ca -0.13 -0.07 0.06 0.00 -1.06 0.00 0.00 56.10 54.90 3k9j s TRP 524 Cb -0.15 0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 32.74 3k9j s TRP 524 CO 0.03 -1.06 0.23 -1.54 -4.06 0.00 0.00 176.95 170.54 3k9j s SER 525 N -2.86 1.71 0.55 -2.66 1.04 -0.47 -0.58 113.70 110.44 3k9j s SER 525 Ca 0.08 -1.69 0.26 0.00 0.48 0.00 0.00 55.95 55.07 3k9j s SER 525 Cb -0.04 0.52 1.47 0.00 0.10 0.00 0.00 66.02 68.08 3k9j s SER 525 CO -0.01 -1.01 2.03 0.00 0.98 0.00 0.00 173.24 175.24 3k9j h ALA 526 N 2.13 2.20 -0.20 5.32 0.00 -1.82 -0.49 119.26 126.39 3k9j h ALA 526 Ca -0.28 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3k9j h ALA 526 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3k9j h ALA 526 CO 0.43 -0.48 -0.46 0.00 0.00 0.00 0.00 179.25 178.74 3k9j h ALA 527 N 1.74 0.83 0.00 0.00 0.00 -1.92 -2.91 119.26 117.00 3k9j h ALA 527 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k9j h ALA 527 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3k9j h ALA 527 CO -0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3k9j n GLY 528 N 0.07 -0.69 3.75 0.00 0.00 -0.19 -4.93 105.19 103.19 3k9j n GLY 528 Ca -0.02 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3k9j n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k9j s LEU 529 N 0.00 4.38 -0.15 0.99 0.20 -1.26 -1.37 118.68 121.47 3k9j s LEU 529 Ca 0.00 2.72 -0.06 0.00 0.69 0.00 0.00 54.13 57.48 3k9j s LEU 529 Cb 0.00 -3.63 -0.07 0.00 -0.43 0.00 0.00 46.19 42.06 3k9j s LEU 529 CO 0.00 -0.74 -0.19 -0.38 -0.29 0.00 0.00 176.35 174.76 3k9j n ILE 530 N 2.24 0.84 -3.60 6.68 5.41 0.05 -4.93 119.36 126.06 3k9j n ILE 530 Ca 0.07 -0.23 -0.15 0.00 1.00 0.00 0.00 62.75 63.44 3k9j n ILE 530 Cb 0.40 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 3k9j n ILE 530 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3k9j s HIS 531 N -2.28 -0.72 0.05 1.39 5.04 -0.84 -4.82 115.29 113.11 3k9j s HIS 531 Ca -0.21 1.61 -0.14 0.00 -1.54 0.00 0.00 55.06 54.78 3k9j s HIS 531 Cb 0.08 0.32 0.02 0.00 0.04 0.00 0.00 32.58 33.04 3k9j s HIS 531 CO 0.28 -0.44 0.30 1.52 -2.34 0.00 0.00 174.74 174.06 3k9j s TYR 532 N -0.15 -0.10 -0.03 3.88 1.13 -1.26 -0.15 117.35 120.67 3k9j s TYR 532 Ca -0.03 -0.07 -0.26 0.00 -1.41 0.00 0.00 57.07 55.30 3k9j s TYR 532 Cb -0.03 0.10 0.06 0.00 -1.10 0.00 0.00 41.96 40.98 3k9j s TYR 532 CO 0.03 -0.52 0.58 -1.54 -2.51 0.00 0.00 175.55 171.59 3k9j s SER 533 N -2.15 -0.53 -0.06 -0.18 1.04 -0.81 -5.00 113.70 106.02 3k9j s SER 533 Ca -0.04 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.87 3k9j s SER 533 Cb -0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3k9j s SER 533 CO -0.04 -0.58 0.15 -0.36 0.98 0.00 0.00 173.24 173.39 3k9j s PHE 534 N -1.32 3.53 0.83 5.02 0.40 -1.26 -1.54 117.98 123.63 3k9j s PHE 534 Ca -0.11 0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 56.53 3k9j s PHE 534 Cb -0.01 -1.87 0.13 0.00 0.51 0.00 0.00 43.02 41.78 3k9j s PHE 534 CO 0.08 0.67 1.16 -0.51 0.70 0.00 0.00 175.22 177.32 3k9j s LEU 535 N -1.51 2.76 0.31 -0.37 1.02 -0.46 -5.02 118.68 115.41 3k9j s LEU 535 Ca 0.21 0.28 -0.29 0.00 0.02 0.00 0.00 54.13 54.35 3k9j s LEU 535 Cb -0.12 -2.61 -0.10 0.00 0.02 0.00 0.00 46.19 43.38 3k9j s LEU 535 CO 0.12 -2.14 1.23 0.20 0.02 0.00 0.00 176.35 175.77 3k9j s ASN 536 N -4.72 6.97 0.08 2.29 0.01 -1.26 -4.60 114.94 113.71 3k9j s ASN 536 Ca 0.67 2.52 -0.36 0.00 -0.71 0.00 0.00 52.86 54.98 3k9j s ASN 536 Cb -0.07 -2.64 -0.18 0.00 0.41 0.00 0.00 41.25 38.77 3k9j s ASN 536 CO 0.49 -0.38 1.00 -2.65 -1.51 0.00 0.00 177.10 174.04 3k9j n PRO 537 N 1.03 0.32 0.00 -0.60 -0.02 -1.26 -0.26 135.00 134.21 3k9j n PRO 537 Ca -0.00 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3k9j n PRO 537 Cb 0.43 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3k9j n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k9j n GLY 538 N 1.80 2.88 3.76 -1.23 0.00 0.98 -4.94 105.19 108.45 3k9j n GLY 538 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3k9j n GLY 538 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k9j s GLU 539 N 0.00 4.70 0.17 1.61 2.56 0.64 -5.05 118.70 123.34 3k9j s GLU 539 Ca 0.00 1.31 0.05 0.00 0.00 0.00 0.00 54.97 56.33 3k9j s GLU 539 Cb 0.00 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 3k9j s GLU 539 CO 0.00 0.53 0.12 -0.08 -0.56 0.00 0.00 175.26 175.27 3k9j s THR 540 N -1.09 4.39 0.22 -1.70 -1.32 -1.26 -4.52 115.64 110.36 3k9j s THR 540 Ca 0.38 -1.15 -0.30 0.00 -1.21 0.00 0.00 61.69 59.42 3k9j s THR 540 Cb -0.24 -3.25 -0.08 0.00 -1.51 0.00 0.00 72.50 67.41 3k9j s THR 540 CO 0.29 -0.13 0.95 -0.51 -2.21 0.00 0.00 174.62 173.01 3k9j s ILE 541 N -1.78 4.11 0.37 5.08 2.07 -1.26 -5.06 121.20 124.73 3k9j s ILE 541 Ca 0.31 2.05 0.08 0.00 -1.41 0.00 0.00 60.65 61.67 3k9j s ILE 541 Cb -0.10 -4.31 -0.02 0.00 0.13 0.00 0.00 42.46 38.16 3k9j s ILE 541 CO 0.23 0.46 0.33 0.28 -1.91 0.00 0.00 174.94 174.33 3k9j s THR 542 N -0.96 3.11 0.17 4.00 -1.32 -1.26 -4.87 115.64 114.51 3k9j s THR 542 Ca 0.42 -1.36 -0.11 0.00 -1.21 0.00 0.00 61.69 59.43 3k9j s THR 542 Cb -0.26 -3.09 0.06 0.00 -1.51 0.00 0.00 72.50 67.70 3k9j s THR 542 CO 0.32 -0.09 1.66 -1.28 -2.21 0.00 0.00 174.62 173.02 3k9j h SER 543 N 1.15 0.94 -0.45 8.08 0.87 -1.95 0.49 113.55 122.67 3k9j h SER 543 Ca -0.43 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 59.91 3k9j h SER 543 Cb 1.26 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3k9j h SER 543 CO 0.58 0.96 0.30 -0.33 -0.53 0.00 0.00 176.83 177.81 3k9j h GLU 544 N 0.88 0.42 0.15 2.24 3.07 -1.94 -0.60 114.58 118.80 3k9j h GLU 544 Ca 0.18 -0.03 -0.31 0.00 -0.50 0.00 0.00 59.36 58.70 3k9j h GLU 544 Cb 0.42 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3k9j h GLU 544 CO 0.01 0.28 -1.54 -0.22 -1.40 0.00 0.00 179.01 176.14 3k9j h LYS 545 N 0.44 0.31 -0.56 2.33 1.63 -1.80 -2.64 116.57 116.27 3k9j h LYS 545 Ca 0.19 -0.53 0.01 0.00 -0.85 0.00 0.00 60.65 59.47 3k9j h LYS 545 Cb 0.21 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 3k9j h LYS 545 CO -0.05 1.20 0.36 -0.92 -3.45 0.00 0.00 179.45 176.59 3k9j h TYR 546 N 0.08 0.69 -0.97 1.91 3.20 -0.66 0.16 116.97 121.39 3k9j h TYR 546 Ca -0.25 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.70 3k9j h TYR 546 Cb 2.04 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 40.02 3k9j h TYR 546 CO 0.08 0.43 0.62 0.00 -1.64 0.00 0.00 178.16 177.64 3k9j h ALA 547 N 1.21 1.34 -0.34 1.82 0.00 -1.14 0.18 119.26 122.33 3k9j h ALA 547 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3k9j h ALA 547 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3k9j h ALA 547 CO -0.05 0.39 0.15 1.96 0.00 0.00 0.00 179.25 181.70 3k9j h GLN 548 N 1.11 0.49 -0.68 0.00 4.20 -0.94 -2.09 115.11 117.21 3k9j h GLN 548 Ca 0.42 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 3k9j h GLN 548 Cb 0.18 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3k9j h GLN 548 CO -0.18 0.46 0.27 0.93 -0.67 0.00 0.00 178.83 179.64 3k9j h GLU 549 N 0.40 1.01 -0.43 1.46 4.39 0.37 -1.57 114.58 120.21 3k9j h GLU 549 Ca 0.11 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3k9j h GLU 549 Cb 0.14 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3k9j h GLU 549 CO -0.01 0.82 0.27 0.82 -1.16 0.00 0.00 179.01 179.75 3k9j h ILE 550 N 0.99 1.08 -0.80 3.13 2.04 -0.56 0.22 117.51 123.61 3k9j h ILE 550 Ca 0.23 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3k9j h ILE 550 Cb 0.19 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3k9j h ILE 550 CO -0.02 0.10 0.51 -0.78 0.00 0.00 0.00 178.15 177.96 3k9j h ASP 551 N 0.55 0.86 -0.24 1.72 1.82 -0.73 0.35 116.42 120.75 3k9j h ASP 551 Ca 0.16 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.72 3k9j h ASP 551 Cb -0.03 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 3k9j h ASP 551 CO -0.06 0.60 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.71 3k9j h GLU 552 N 1.02 0.51 -0.43 0.28 5.08 -0.63 -2.45 114.58 117.96 3k9j h GLU 552 Ca 0.31 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3k9j h GLU 552 Cb -0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3k9j h GLU 552 CO -0.10 0.79 0.18 1.98 -1.00 0.00 0.00 179.01 180.86 3k9j h MET 553 N 0.22 0.35 -0.61 2.33 4.05 -0.28 -2.12 114.93 118.87 3k9j h MET 553 Ca 0.05 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 3k9j h MET 553 Cb 0.65 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 3k9j h MET 553 CO 0.04 0.23 0.16 -0.97 0.23 0.00 0.00 176.91 176.60 3k9j h ASN 554 N 0.36 0.89 -0.60 1.39 -1.24 -0.81 0.20 115.58 115.77 3k9j h ASN 554 Ca 0.19 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3k9j h ASN 554 Cb 0.15 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3k9j h ASN 554 CO -0.17 0.86 0.38 1.56 -1.29 0.00 0.00 177.43 178.76 3k9j h GLN 555 N 0.91 0.81 -0.65 6.67 1.08 -1.17 -0.90 115.11 121.87 3k9j h GLN 555 Ca 0.20 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 3k9j h GLN 555 Cb 0.31 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3k9j h GLN 555 CO -0.00 0.57 0.13 0.87 -0.95 0.00 0.00 178.83 179.44 3k9j h LYS 556 N 0.82 1.04 -0.37 1.46 1.57 -0.61 -2.68 116.57 117.80 3k9j h LYS 556 Ca 0.22 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3k9j h LYS 556 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3k9j h LYS 556 CO -0.04 0.95 0.12 1.25 -0.57 0.00 0.00 179.45 181.15 3k9j h LEU 557 N 0.99 0.53 -0.75 2.94 5.85 -0.30 -2.15 115.31 122.41 3k9j h LEU 557 Ca 0.20 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3k9j h LEU 557 Cb 0.39 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3k9j h LEU 557 CO 0.01 0.59 0.41 1.56 -0.34 0.00 0.00 178.44 180.66 3k9j h GLN 558 N 0.45 0.68 -0.60 1.25 4.20 -1.08 -1.25 115.11 118.75 3k9j h GLN 558 Ca 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3k9j h GLN 558 Cb 0.24 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3k9j h GLN 558 CO -0.00 0.45 0.29 0.00 -0.67 0.00 0.00 178.83 178.90 3k9j h ARG 559 N 0.70 0.85 -0.33 1.46 3.08 -1.16 -2.85 114.38 116.14 3k9j h ARG 559 Ca 0.36 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 3k9j h ARG 559 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3k9j h ARG 559 CO -0.24 0.65 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.97 3k9j h LEU 560 N 0.85 0.69 -0.11 3.04 3.38 -0.61 -3.01 115.31 119.54 3k9j h LEU 560 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k9j h LEU 560 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3k9j h LEU 560 CO -0.03 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.43 3k9j n GLN 561 N -4.09 1.07 -0.34 1.13 6.02 -0.77 -4.25 117.38 116.16 3k9j n GLN 561 Ca -0.00 -0.11 0.19 0.00 -0.01 0.00 0.00 57.00 57.06 3k9j n GLN 561 Cb 0.45 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.62 3k9j n GLN 561 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3k9j h LEU 562 N 0.26 0.63 -2.68 1.08 5.85 -1.38 -1.12 115.31 117.95 3k9j h LEU 562 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3k9j h LEU 562 Cb 0.06 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3k9j h LEU 562 CO 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 3k9j n ALA 563 N -2.34 2.32 -1.97 1.25 0.00 -1.26 -4.97 120.51 113.54 3k9j n ALA 563 Ca 0.27 -1.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 3k9j n ALA 563 Cb 0.78 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3k9j n ALA 563 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k9j s LEU 564 N -1.06 4.46 0.06 0.00 1.02 -0.43 -4.91 118.68 117.82 3k9j s LEU 564 Ca 0.37 2.31 0.25 0.00 0.02 0.00 0.00 54.13 57.08 3k9j s LEU 564 Cb 0.20 -3.61 1.01 0.00 0.02 0.00 0.00 46.19 43.81 3k9j s LEU 564 CO 0.26 -0.37 1.79 1.33 0.02 0.00 0.00 176.35 179.38 3k9j n VAL 565 N 2.14 0.38 -3.50 -1.59 0.24 -1.26 -4.69 118.33 110.04 3k9j n VAL 565 Ca 0.03 0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.30 3k9j n VAL 565 Cb 0.44 -0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 32.09 3k9j n VAL 565 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k9j s ARG 566 N -3.04 0.45 -0.03 7.34 3.52 -1.26 -5.16 118.95 120.77 3k9j s ARG 566 Ca 0.11 1.07 0.06 0.00 -0.13 0.00 0.00 55.73 56.85 3k9j s ARG 566 Cb 0.15 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.93 3k9j s ARG 566 CO 0.48 -0.37 -0.21 1.03 -0.81 0.00 0.00 175.30 175.42 3k9j s ARG 567 N 2.74 1.80 0.11 5.12 1.81 -1.26 -5.14 118.95 124.13 3k9j s ARG 567 Ca 0.04 -0.73 0.06 0.00 -1.72 0.00 0.00 55.73 53.37 3k9j s ARG 567 Cb -0.13 -1.67 -0.04 0.00 -0.45 0.00 0.00 34.95 32.66 3k9j s ARG 567 CO -0.17 0.40 -0.14 0.21 -0.68 0.00 0.00 175.30 174.92 3k9j s LYS 568 N -0.35 0.98 0.43 3.54 2.20 -1.26 -5.13 119.74 120.16 3k9j s LYS 568 Ca 0.04 -1.18 -0.26 0.00 -0.36 0.00 0.00 55.97 54.22 3k9j s LYS 568 Cb -0.09 -0.89 -0.08 0.00 -1.51 0.00 0.00 37.83 35.25 3k9j s LYS 568 CO 0.00 0.18 1.37 1.03 -0.36 0.00 0.00 175.35 177.57 3k9j s ARG 569 N -2.47 3.80 0.65 4.03 0.52 -1.26 -4.98 118.95 119.24 3k9j s ARG 569 Ca 0.07 2.31 -0.14 0.00 -0.52 0.00 0.00 55.73 57.44 3k9j s ARG 569 Cb -0.06 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 3k9j s ARG 569 CO 0.03 -0.68 1.07 -1.25 0.02 0.00 0.00 175.30 174.49 3k9j s PRO 570 N -2.36 3.02 -0.10 3.54 0.04 -1.26 -4.93 135.00 132.95 3k9j s PRO 570 Ca 0.59 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.85 3k9j s PRO 570 Cb -0.41 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3k9j s PRO 570 CO 0.53 -1.05 -0.22 0.42 0.04 0.00 0.00 177.00 176.72 3k9j s ILE 571 N -2.61 1.95 -0.07 0.56 1.01 -0.65 -3.79 121.20 117.59 3k9j s ILE 571 Ca 0.63 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 3k9j s ILE 571 Cb -0.17 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3k9j s ILE 571 CO 0.44 0.53 0.57 -0.22 0.00 0.00 0.00 174.94 176.26 3k9j s LEU 572 N 0.42 4.33 -0.27 2.97 2.96 0.01 -0.49 118.68 128.61 3k9j s LEU 572 Ca -0.17 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3k9j s LEU 572 Cb -0.18 -2.86 0.05 0.00 0.50 0.00 0.00 46.19 43.71 3k9j s LEU 572 CO 0.07 0.00 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.81 3k9j s LEU 573 N 0.42 3.50 0.23 -0.68 2.96 -0.17 -0.85 118.68 124.10 3k9j s LEU 573 Ca 0.30 -1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 52.87 3k9j s LEU 573 Cb -0.17 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3k9j s LEU 573 CO 0.14 -0.20 0.35 -1.38 -1.32 0.00 0.00 176.35 173.95 3k9j s HIS 574 N 1.18 0.66 0.55 5.38 -3.43 -1.26 -3.34 115.29 115.04 3k9j s HIS 574 Ca -0.06 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.23 3k9j s HIS 574 Cb -0.19 -0.09 0.03 0.00 -1.43 0.00 0.00 32.58 30.90 3k9j s HIS 574 CO -0.04 -0.86 0.78 0.16 -2.00 0.00 0.00 174.74 172.78 3k9j s ASP 575 N -3.07 5.34 -0.06 7.38 -4.77 -1.26 -4.85 116.67 115.38 3k9j s ASP 575 Ca 0.29 0.11 0.03 0.00 -3.30 0.00 0.00 52.55 49.68 3k9j s ASP 575 Cb 0.02 -1.04 0.17 0.00 -1.09 0.00 0.00 42.92 40.98 3k9j s ASP 575 CO 0.10 -1.10 0.84 0.59 0.70 0.00 0.00 175.17 176.30 3k9j n ASN 576 N -2.36 2.20 -4.43 2.11 4.13 -1.26 -4.75 115.26 110.90 3k9j n ASN 576 Ca 0.07 -2.22 -0.40 0.00 1.68 0.00 0.00 54.58 53.71 3k9j n ASN 576 Cb 0.59 -0.55 0.02 0.00 -1.54 0.00 0.00 39.78 38.31 3k9j n ASN 576 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k9j n ALA 577 N 0.14 -1.57 -0.15 5.41 0.00 -1.26 -4.70 120.51 118.37 3k9j n ALA 577 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 3k9j n ALA 577 Cb 0.50 -1.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 3k9j n ALA 577 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k9j h ARG 578 N 0.45 0.73 -0.01 0.00 3.08 -1.98 -0.77 114.38 115.89 3k9j h ARG 578 Ca -0.43 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3k9j h ARG 578 Cb 1.41 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3k9j h ARG 578 CO 0.48 0.77 0.01 -1.00 -1.07 0.00 0.00 179.97 179.16 3k9j h PRO 579 N 0.59 0.00 0.00 0.04 0.13 -1.89 -2.08 132.00 128.78 3k9j h PRO 579 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 3k9j h PRO 579 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3k9j h PRO 579 CO 0.01 0.00 -0.23 0.45 -0.23 0.00 0.00 178.00 178.00 3k9j h HIS 580 N 0.00 0.00 -0.32 1.56 3.86 -1.44 -3.26 115.15 115.54 3k9j h HIS 580 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k9j h HIS 580 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3k9j h HIS 580 CO 0.00 0.23 0.00 1.33 0.86 0.00 0.00 177.93 180.35 3k9j n VAL 581 N -3.66 1.66 -3.62 2.45 0.24 -0.79 -4.79 118.33 109.81 3k9j n VAL 581 Ca -0.01 -1.42 -0.20 0.00 -2.04 0.00 0.00 64.34 60.67 3k9j n VAL 581 Cb 0.35 0.13 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 3k9j n VAL 581 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k9j s ALA 582 N -1.90 4.10 0.27 2.33 0.00 -1.17 -4.92 121.76 120.46 3k9j s ALA 582 Ca 0.34 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3k9j s ALA 582 Cb 0.24 -1.57 0.32 0.00 0.00 0.00 0.00 23.12 22.11 3k9j s ALA 582 CO 0.13 0.02 1.91 0.37 0.00 0.00 0.00 175.76 178.20 3k9j h GLN 583 N 1.02 1.18 -0.59 0.00 5.75 -1.94 -1.65 115.11 118.88 3k9j h GLN 583 Ca -0.46 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 57.84 3k9j h GLN 583 Cb 1.25 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 3k9j h GLN 583 CO 0.55 0.82 0.02 -1.35 -2.65 0.00 0.00 178.83 176.22 3k9j h PRO 584 N 1.20 1.02 -0.19 -2.39 0.11 -1.96 -0.44 132.00 129.36 3k9j h PRO 584 Ca 0.31 -0.30 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3k9j h PRO 584 Cb -0.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3k9j h PRO 584 CO -0.06 0.99 0.10 1.15 -0.21 0.00 0.00 178.00 179.97 3k9j h THR 585 N 0.94 1.12 -0.79 -1.15 2.02 -1.56 -1.94 112.91 111.54 3k9j h THR 585 Ca 0.17 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3k9j h THR 585 Cb 0.52 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3k9j h THR 585 CO 0.03 0.11 0.42 -0.07 0.37 0.00 0.00 175.52 176.38 3k9j h LEU 586 N 0.19 1.01 -0.77 2.58 3.38 -1.14 -0.90 115.31 119.66 3k9j h LEU 586 Ca 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3k9j h LEU 586 Cb 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3k9j h LEU 586 CO -0.01 0.83 0.37 -0.61 0.09 0.00 0.00 178.44 179.11 3k9j h GLN 587 N 1.11 1.12 -0.44 1.13 5.75 -1.00 -1.04 115.11 121.74 3k9j h GLN 587 Ca 0.28 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3k9j h GLN 587 Cb 0.06 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3k9j h GLN 587 CO -0.04 0.87 0.08 -0.22 -2.65 0.00 0.00 178.83 176.87 3k9j h LYS 588 N 1.09 0.72 -0.70 1.69 1.63 -0.88 0.10 116.57 120.22 3k9j h LYS 588 Ca 0.27 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 3k9j h LYS 588 Cb 0.12 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3k9j h LYS 588 CO -0.03 0.74 0.25 -0.07 -3.45 0.00 0.00 179.45 176.88 3k9j h LEU 589 N 0.58 0.99 -0.67 5.20 3.38 -0.87 -0.90 115.31 123.01 3k9j h LEU 589 Ca 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3k9j h LEU 589 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3k9j h LEU 589 CO 0.01 0.91 0.22 -1.13 0.09 0.00 0.00 178.44 178.54 3k9j h ASN 590 N 1.01 0.97 -0.67 -0.43 -1.24 -1.03 -0.41 115.58 113.78 3k9j h ASN 590 Ca 0.23 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.97 3k9j h ASN 590 Cb 0.26 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 3k9j h ASN 590 CO -0.01 0.91 0.14 -0.08 -1.29 0.00 0.00 177.43 177.11 3k9j h GLU 591 N 0.98 1.09 -0.00 6.67 4.81 -0.58 -2.87 114.58 124.68 3k9j h GLU 591 Ca 0.22 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3k9j h GLU 591 Cb 0.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3k9j h GLU 591 CO -0.01 0.98 -0.21 1.28 -0.73 0.00 0.00 179.01 180.32 3k9j n LEU 592 N -4.23 0.34 -0.06 1.64 4.77 -0.38 -4.94 117.00 114.15 3k9j n LEU 592 Ca 0.05 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3k9j n LEU 592 Cb 0.27 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k9j n LEU 592 CO 0.42 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3k9j n GLY 593 N 1.42 0.74 3.57 -0.72 0.00 -0.55 -5.03 105.19 104.63 3k9j n GLY 593 Ca 0.09 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3k9j n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9j s TYR 594 N -2.12 3.21 0.35 1.61 1.51 -0.27 -4.76 117.35 116.88 3k9j s TYR 594 Ca 0.00 0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 56.01 3k9j s TYR 594 Cb 0.00 -2.76 -0.09 0.00 -0.11 0.00 0.00 41.96 39.00 3k9j s TYR 594 CO 0.00 -0.41 1.23 -2.00 -1.11 0.00 0.00 175.55 173.26 3k9j s GLU 595 N 2.21 4.29 -0.16 -0.62 2.12 -1.25 -4.58 118.70 120.71 3k9j s GLU 595 Ca 0.16 2.04 -0.04 0.00 0.36 0.00 0.00 54.97 57.49 3k9j s GLU 595 Cb -0.16 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3k9j s GLU 595 CO 0.12 -0.18 -0.03 0.08 -0.54 0.00 0.00 175.26 174.71 3k9j s VAL 596 N -1.23 3.92 0.34 3.70 1.01 -1.26 -0.81 120.40 126.08 3k9j s VAL 596 Ca 0.51 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 3k9j s VAL 596 Cb -0.36 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 3k9j s VAL 596 CO 0.47 0.48 1.25 -0.22 0.00 0.00 0.00 175.10 177.07 3k9j s LEU 597 N 0.48 4.39 0.36 3.92 2.96 -0.03 -4.92 118.68 125.85 3k9j s LEU 597 Ca -0.03 2.55 -0.28 0.00 -0.22 0.00 0.00 54.13 56.16 3k9j s LEU 597 Cb -0.14 -3.74 -0.12 0.00 0.50 0.00 0.00 46.19 42.70 3k9j s LEU 597 CO 0.03 -0.52 1.38 -2.65 -1.32 0.00 0.00 176.35 173.26 3k9j n PRO 598 N 0.67 2.37 -3.71 0.98 -0.02 -1.26 -4.80 135.00 129.24 3k9j n PRO 598 Ca 0.01 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3k9j n PRO 598 Cb 0.43 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 3k9j n PRO 598 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k9j s HIS 599 N -1.11 -0.18 0.40 6.00 2.46 -1.26 -5.02 115.29 116.58 3k9j s HIS 599 Ca 0.55 0.56 -0.23 0.00 0.47 0.00 0.00 55.06 56.41 3k9j s HIS 599 Cb -0.52 -0.17 -0.10 0.00 -0.13 0.00 0.00 32.58 31.66 3k9j s HIS 599 CO 0.63 -0.22 0.97 -1.25 -2.47 0.00 0.00 174.74 172.39 3k9j s PRO 600 N 1.76 4.29 0.79 2.88 0.04 -1.26 -4.91 135.00 138.59 3k9j s PRO 600 Ca -0.03 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 3k9j s PRO 600 Cb -0.12 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.08 3k9j s PRO 600 CO -0.06 0.01 1.21 -2.14 0.04 0.00 0.00 177.00 176.07 3k9j s PRO 601 N -2.74 1.74 -1.40 0.56 0.02 -1.26 -3.70 135.00 128.21 3k9j s PRO 601 Ca 0.58 1.77 -0.09 0.00 0.02 0.00 0.00 61.00 63.28 3k9j s PRO 601 Cb -0.14 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.63 3k9j s PRO 601 CO 0.19 -2.14 1.06 0.66 -0.33 0.00 0.00 177.00 176.43 3k9j n TYR 602 N -3.17 -2.53 -3.12 6.54 4.02 -1.26 -4.92 117.16 112.71 3k9j n TYR 602 Ca 0.14 0.96 -0.22 0.00 -0.01 0.00 0.00 57.90 58.76 3k9j n TYR 602 Cb 0.50 -4.63 -0.04 0.00 -0.02 0.00 0.00 39.34 35.16 3k9j n TYR 602 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3k9j n SER 603 N -2.97 2.24 0.29 7.72 7.64 -1.24 -4.80 113.62 122.50 3k9j n SER 603 Ca -0.04 -3.24 0.16 0.00 1.01 0.00 0.00 58.87 56.76 3k9j n SER 603 Cb 0.57 -0.61 0.90 0.00 -1.01 0.00 0.00 64.21 64.06 3k9j n SER 603 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3k9j h PRO 604 N 3.21 0.00 0.00 1.43 0.11 -1.92 -1.93 132.00 132.89 3k9j h PRO 604 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k9j h PRO 604 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3k9j h PRO 604 CO 0.63 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 3k9j n ASP 605 N -3.61 0.00 -0.40 -2.05 5.75 -1.26 -1.73 116.55 113.25 3k9j n ASP 605 Ca -0.02 0.13 0.04 0.00 -0.01 0.00 0.00 54.79 54.93 3k9j n ASP 605 Cb 0.14 -0.34 0.08 0.00 -1.03 0.00 0.00 41.12 39.97 3k9j n ASP 605 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3k9j n LEU 606 N -1.34 2.31 -4.27 -2.12 4.32 -0.73 -4.91 117.00 110.25 3k9j n LEU 606 Ca 0.08 -1.65 -0.38 0.00 -0.02 0.00 0.00 56.01 54.04 3k9j n LEU 606 Cb 0.18 -0.11 -0.12 0.00 -1.62 0.00 0.00 43.42 41.75 3k9j n LEU 606 CO 0.16 0.55 -0.25 -0.76 -1.22 0.00 0.00 177.39 175.87 3k9j s LEU 607 N -0.88 4.37 0.50 2.23 1.43 -0.70 -5.00 118.68 120.62 3k9j s LEU 607 Ca 0.14 -1.18 0.15 0.00 -1.03 0.00 0.00 54.13 52.21 3k9j s LEU 607 Cb 0.08 -1.87 1.22 0.00 0.03 0.00 0.00 46.19 45.65 3k9j s LEU 607 CO 0.11 -0.34 2.12 -0.65 0.23 0.00 0.00 176.35 177.82 3k9j h PRO 608 N 8.22 0.09 -0.52 1.29 0.11 -1.91 0.30 132.00 139.57 3k9j h PRO 608 Ca -0.23 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 3k9j h PRO 608 Cb 1.08 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3k9j h PRO 608 CO 0.61 0.06 0.04 1.15 -0.21 0.00 0.00 178.00 179.65 3k9j h THR 609 N 0.09 1.24 0.00 -1.15 2.02 -1.92 0.33 112.91 113.51 3k9j h THR 609 Ca 0.05 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 3k9j h THR 609 Cb 0.09 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3k9j h THR 609 CO -0.01 0.35 -0.05 0.78 0.37 0.00 0.00 175.52 176.96 3k9j h ASN 610 N 0.79 0.04 1.59 4.18 2.35 -1.27 0.39 115.58 123.65 3k9j h ASN 610 Ca 0.16 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 3k9j h ASN 610 Cb 0.42 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3k9j h ASN 610 CO 0.01 0.84 -0.01 0.10 -1.65 0.00 0.00 177.43 176.73 3k9j h TYR 611 N -0.75 0.00 0.00 1.19 -0.00 -1.14 -3.13 116.97 113.14 3k9j h TYR 611 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3k9j h TYR 611 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.58 3k9j h TYR 611 CO 0.21 0.00 -0.01 1.58 -0.00 0.00 0.00 178.16 179.94 3k9j n HIS 612 N -2.45 0.00 0.13 0.10 -0.00 0.06 -4.58 115.22 108.48 3k9j n HIS 612 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.64 3k9j n HIS 612 Cb 0.45 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.36 3k9j n HIS 612 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k9j h VAL 613 N -0.01 0.84 -0.06 3.57 2.07 -1.25 -2.15 116.25 119.26 3k9j h VAL 613 Ca 0.00 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 3k9j h VAL 613 Cb 0.01 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3k9j h VAL 613 CO 0.00 0.09 -0.49 -0.26 0.02 0.00 0.00 177.57 176.92 3k9j h PHE 614 N -0.50 0.20 -0.41 1.57 0.04 -0.38 0.06 116.94 117.51 3k9j h PHE 614 Ca -0.03 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.73 3k9j h PHE 614 Cb 0.37 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3k9j h PHE 614 CO -0.01 0.63 0.12 -0.22 -0.60 0.00 0.00 178.31 178.24 3k9j h LYS 615 N 0.13 0.27 -0.06 1.51 3.64 -1.47 -0.19 116.57 120.39 3k9j h LYS 615 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3k9j h LYS 615 Cb 0.92 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3k9j h LYS 615 CO 0.07 0.18 -0.73 0.45 -2.27 0.00 0.00 179.45 177.15 3k9j h HIS 616 N 0.28 0.46 -0.31 1.91 3.86 -1.00 -2.98 115.15 117.37 3k9j h HIS 616 Ca 0.20 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3k9j h HIS 616 Cb 0.20 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3k9j h HIS 616 CO -0.17 0.95 0.13 1.25 0.86 0.00 0.00 177.93 180.95 3k9j h LEU 617 N 0.23 0.42 -0.71 2.43 5.85 -0.73 -2.08 115.31 120.72 3k9j h LEU 617 Ca -0.03 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.66 3k9j h LEU 617 Cb 1.29 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 3k9j h LEU 617 CO 0.12 0.46 0.30 0.78 -0.34 0.00 0.00 178.44 179.76 3k9j h ASN 618 N 0.36 0.32 -0.95 1.25 2.35 -1.04 0.29 115.58 118.16 3k9j h ASN 618 Ca 0.10 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3k9j h ASN 618 Cb 0.16 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3k9j h ASN 618 CO -0.01 0.16 0.62 0.78 -1.65 0.00 0.00 177.43 177.33 3k9j h ASN 619 N 0.48 1.07 0.16 5.81 2.35 -1.34 0.15 115.58 124.27 3k9j h ASN 619 Ca 0.37 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.96 3k9j h ASN 619 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3k9j h ASN 619 CO -0.34 0.77 -0.52 0.15 -1.65 0.00 0.00 177.43 175.84 3k9j h PHE 620 N 1.26 0.48 0.06 1.19 3.57 -0.52 -3.23 116.94 119.76 3k9j h PHE 620 Ca 0.35 -0.16 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 3k9j h PHE 620 Cb -0.11 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3k9j h PHE 620 CO -0.01 0.83 -1.22 -0.07 -2.23 0.00 0.00 178.31 175.61 3k9j h LEU 621 N 0.31 0.21 -8.47 0.59 3.38 -0.10 -3.46 115.31 107.77 3k9j h LEU 621 Ca 0.01 -0.25 -0.61 0.00 0.09 0.00 0.00 57.88 57.12 3k9j h LEU 621 Cb 1.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3k9j h LEU 621 CO 0.09 1.20 1.50 1.67 0.09 0.00 0.00 178.44 182.99 3k9j n GLN 622 N -3.41 0.90 0.00 1.13 7.27 0.01 -1.03 117.38 122.26 3k9j n GLN 622 Ca -0.07 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3k9j n GLN 622 Cb 0.99 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 31.16 3k9j n GLN 622 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k9j n GLY 623 N 6.47 1.06 3.83 1.69 0.00 -1.26 -5.03 105.19 111.95 3k9j n GLY 623 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 3k9j n GLY 623 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9j s LYS 624 N -0.79 2.97 0.05 1.61 1.02 -0.20 -5.01 119.74 119.39 3k9j s LYS 624 Ca 0.00 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.12 3k9j s LYS 624 Cb 0.00 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3k9j s LYS 624 CO 0.00 0.45 -0.16 1.03 -0.92 0.00 0.00 175.35 175.74 3k9j s ARG 625 N -3.47 1.05 -0.01 1.68 0.52 -1.26 -2.35 118.95 115.10 3k9j s ARG 625 Ca 0.32 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3k9j s ARG 625 Cb -0.09 -1.11 0.01 0.00 0.52 0.00 0.00 34.95 34.28 3k9j s ARG 625 CO 0.25 0.27 -0.01 -0.06 0.02 0.00 0.00 175.30 175.77 3k9j s PHE 626 N -0.93 0.23 -0.06 -0.53 0.40 0.35 -4.99 117.98 112.45 3k9j s PHE 626 Ca 0.03 -0.01 0.13 0.00 -0.60 0.00 0.00 56.93 56.49 3k9j s PHE 626 Cb -0.09 -0.25 -0.21 0.00 0.51 0.00 0.00 43.02 42.98 3k9j s PHE 626 CO 0.02 -0.06 0.70 0.72 0.70 0.00 0.00 175.22 177.29 3k9j n HIS 627 N 3.58 1.00 -4.53 0.36 8.25 -1.26 -4.28 115.22 118.34 3k9j n HIS 627 Ca -0.20 0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 57.36 3k9j n HIS 627 Cb 0.55 -1.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.39 3k9j n HIS 627 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3k9j s ASN 628 N -6.02 3.69 0.20 0.41 3.84 -1.26 -5.02 114.94 110.78 3k9j s ASN 628 Ca -0.04 -1.16 -0.07 0.00 0.21 0.00 0.00 52.86 51.80 3k9j s ASN 628 Cb 0.08 -0.34 0.12 0.00 -0.55 0.00 0.00 41.25 40.57 3k9j s ASN 628 CO 0.82 -0.14 1.62 -0.61 -2.79 0.00 0.00 177.10 176.00 3k9j h GLN 629 N 2.08 0.91 -0.72 0.43 4.15 -1.99 -2.75 115.11 117.22 3k9j h GLN 629 Ca -0.41 -0.34 0.12 0.00 0.77 0.00 0.00 58.65 58.79 3k9j h GLN 629 Cb 1.25 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.80 3k9j h GLN 629 CO 0.68 0.99 0.30 1.96 -1.93 0.00 0.00 178.83 180.83 3k9j h GLN 630 N 0.81 0.46 -0.32 1.69 4.20 -1.98 0.25 115.11 120.22 3k9j h GLN 630 Ca 0.12 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3k9j h GLN 630 Cb 0.69 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3k9j h GLN 630 CO 0.05 0.31 -0.36 -0.44 -0.67 0.00 0.00 178.83 177.71 3k9j h ASP 631 N 0.48 0.78 0.80 1.46 3.32 -1.94 0.21 116.42 121.53 3k9j h ASP 631 Ca 0.38 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3k9j h ASP 631 Cb 0.52 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3k9j h ASP 631 CO -0.35 1.06 -0.38 0.00 -1.72 0.00 0.00 179.24 177.85 3k9j h ALA 632 N 0.98 -1.07 -0.78 3.45 0.00 -0.97 -0.94 119.26 119.92 3k9j h ALA 632 Ca 0.06 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.89 3k9j h ALA 632 Cb 0.90 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 3k9j h ALA 632 CO 0.08 -1.02 0.29 0.93 0.00 0.00 0.00 179.25 179.53 3k9j h GLU 633 N -1.22 0.39 -0.65 0.00 5.08 -0.53 0.30 114.58 117.95 3k9j h GLU 633 Ca -0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3k9j h GLU 633 Cb 0.83 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3k9j h GLU 633 CO 0.18 0.26 0.38 -0.91 -1.00 0.00 0.00 179.01 177.92 3k9j h ASN 634 N 0.40 0.78 0.28 1.42 2.35 -0.47 -0.70 115.58 119.64 3k9j h ASN 634 Ca 0.44 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 56.03 3k9j h ASN 634 Cb 0.72 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3k9j h ASN 634 CO -0.45 0.61 -0.45 0.00 -1.65 0.00 0.00 177.43 175.48 3k9j h ALA 635 N 1.53 1.07 -0.30 -0.83 0.00 0.44 -1.82 119.26 119.34 3k9j h ALA 635 Ca 0.23 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3k9j h ALA 635 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3k9j h ALA 635 CO -0.04 0.62 -0.26 0.35 0.00 0.00 0.00 179.25 179.92 3k9j h PHE 636 N 0.17 0.84 -0.74 0.00 3.57 -0.02 -2.10 116.94 118.66 3k9j h PHE 636 Ca 0.01 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 3k9j h PHE 636 Cb 0.87 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3k9j h PHE 636 CO 0.01 0.98 0.34 0.37 -2.23 0.00 0.00 178.31 177.79 3k9j h GLN 637 N 0.46 1.08 -0.73 1.11 4.15 -1.07 -1.84 115.11 118.27 3k9j h GLN 637 Ca 0.05 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3k9j h GLN 637 Cb 0.82 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 3k9j h GLN 637 CO 0.07 0.85 0.37 1.49 -1.93 0.00 0.00 178.83 179.68 3k9j h GLU 638 N 1.05 1.02 0.12 1.69 4.81 -1.21 0.91 114.58 122.96 3k9j h GLU 638 Ca 0.25 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3k9j h GLU 638 Cb 0.14 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3k9j h GLU 638 CO -0.03 0.77 -0.06 0.35 -0.73 0.00 0.00 179.01 179.31 3k9j h PHE 639 N 1.02 -0.14 -0.14 0.92 3.57 -0.87 -0.60 116.94 120.69 3k9j h PHE 639 Ca 0.25 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.79 3k9j h PHE 639 Cb 0.07 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 3k9j h PHE 639 CO 0.01 0.05 -0.52 0.28 -2.23 0.00 0.00 178.31 175.90 3k9j h VAL 640 N -0.31 0.03 0.00 1.41 2.07 -1.13 -1.58 116.25 116.74 3k9j h VAL 640 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3k9j h VAL 640 Cb 0.25 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3k9j h VAL 640 CO 0.03 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 3k9j n GLU 641 N -5.44 0.05 0.01 1.57 1.02 0.29 -1.94 120.64 116.22 3k9j n GLU 641 Ca -0.05 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 3k9j n GLU 641 Cb 0.38 -1.68 0.05 0.00 -0.02 0.00 0.00 31.44 30.16 3k9j n GLU 641 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k9j n SER 642 N -1.79 0.66 -4.79 1.62 2.88 -0.25 -4.96 113.62 106.99 3k9j n SER 642 Ca -0.01 -0.38 -0.37 0.00 -1.33 0.00 0.00 58.87 56.78 3k9j n SER 642 Cb 0.02 0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 64.12 3k9j n SER 642 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3k9j s GLN 643 N -3.11 4.51 0.85 -1.46 -1.52 -0.82 -5.05 119.66 113.06 3k9j s GLN 643 Ca 0.06 1.19 -0.13 0.00 -1.95 0.00 0.00 55.36 54.54 3k9j s GLN 643 Cb 0.15 -2.90 0.08 0.00 -0.22 0.00 0.00 33.01 30.12 3k9j s GLN 643 CO 0.79 0.36 0.98 -1.13 -0.25 0.00 0.00 175.29 176.04 3k9j n SER 644 N 0.76 0.12 0.19 5.90 3.41 -1.26 -4.88 113.62 117.86 3k9j n SER 644 Ca -0.00 0.51 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 3k9j n SER 644 Cb 0.50 -1.42 0.44 0.00 -0.26 0.00 0.00 64.21 63.47 3k9j n SER 644 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3k9j h THR 645 N -1.17 1.18 -0.41 6.66 1.35 -1.99 -2.52 112.91 116.02 3k9j h THR 645 Ca -0.45 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3k9j h THR 645 Cb 1.30 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3k9j h THR 645 CO 0.43 0.24 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 3k9j n ASP 646 N -4.25 2.40 -0.12 5.36 3.85 -1.26 -4.46 116.55 118.06 3k9j n ASP 646 Ca -0.02 -1.95 -0.05 0.00 -0.71 0.00 0.00 54.79 52.05 3k9j n ASP 646 Cb 0.30 -0.27 0.03 0.00 -1.35 0.00 0.00 41.12 39.82 3k9j n ASP 646 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3k9j h PHE 647 N 2.72 0.24 -0.18 2.11 3.04 -1.80 -0.94 116.94 122.12 3k9j h PHE 647 Ca 0.00 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 3k9j h PHE 647 Cb 0.62 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 3k9j h PHE 647 CO 0.27 0.09 -0.25 1.88 -2.02 0.00 0.00 178.31 178.27 3k9j h TYR 648 N 0.29 0.61 -0.79 0.41 -1.99 -1.83 -2.81 116.97 110.85 3k9j h TYR 648 Ca 0.18 -0.20 0.18 0.00 2.00 0.00 0.00 58.73 60.90 3k9j h TYR 648 Cb 0.17 -0.12 -0.12 0.00 2.00 0.00 0.00 36.73 38.67 3k9j h TYR 648 CO -0.15 0.89 0.24 2.35 -0.00 0.00 0.00 178.16 181.49 3k9j h TRP 649 N 0.15 0.38 -0.53 4.88 7.01 -1.28 -0.59 115.95 125.96 3k9j h TRP 649 Ca 0.02 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 3k9j h TRP 649 Cb 0.82 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 3k9j h TRP 649 CO 0.09 -0.08 0.10 1.15 -2.79 0.00 0.00 178.44 176.91 3k9j h THR 650 N 0.30 1.25 -0.62 2.65 2.02 -1.14 -2.08 112.91 115.29 3k9j h THR 650 Ca 0.46 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3k9j h THR 650 Cb 0.83 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3k9j h THR 650 CO -0.53 0.33 0.35 1.23 0.37 0.00 0.00 175.52 177.28 3k9j h GLY 651 N 0.75 0.89 1.23 2.16 0.00 -0.88 -2.62 103.07 104.59 3k9j h GLY 651 Ca 0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3k9j h GLY 651 CO 0.01 0.18 -0.36 -2.22 0.00 0.00 0.00 176.54 174.15 3k9j h ILE 652 N 0.68 1.28 -0.23 2.60 1.08 -1.24 -2.70 117.51 118.98 3k9j h ILE 652 Ca 0.26 -1.53 0.07 0.00 -0.39 0.00 0.00 64.86 63.27 3k9j h ILE 652 Cb 0.11 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 3k9j h ILE 652 CO -0.14 0.51 0.21 0.78 -0.69 0.00 0.00 178.15 178.81 3k9j h ASN 653 N 0.71 0.00 0.81 1.72 2.35 -1.02 -1.61 115.58 118.54 3k9j h ASN 653 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3k9j h ASN 653 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3k9j h ASN 653 CO 0.09 0.00 0.00 1.56 -1.65 0.00 0.00 177.43 177.43 3k9j h GLN 654 N 0.00 0.00 -0.96 0.81 4.20 -1.17 -3.31 115.11 114.69 3k9j h GLN 654 Ca 0.11 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.89 3k9j h GLN 654 Cb 0.52 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 3k9j h GLN 654 CO -0.00 0.00 0.60 -0.07 -0.67 0.00 0.00 178.83 178.69 3k9j h LEU 655 N 0.00 0.95 -0.37 1.46 3.38 -1.42 -2.42 115.31 116.88 3k9j h LEU 655 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3k9j h LEU 655 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3k9j h LEU 655 CO 0.00 0.58 0.13 0.40 0.09 0.00 0.00 178.44 179.64 3k9j h ILE 656 N 1.07 1.20 -0.13 1.22 2.04 -1.80 0.19 117.51 121.31 3k9j h ILE 656 Ca 0.43 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 3k9j h ILE 656 Cb 0.24 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3k9j h ILE 656 CO -0.19 0.23 -0.38 0.77 0.00 0.00 0.00 178.15 178.58 3k9j h SER 657 N 0.45 0.30 -0.02 1.72 4.64 -1.74 0.26 113.55 119.17 3k9j h SER 657 Ca 0.12 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3k9j h SER 657 Cb 0.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3k9j h SER 657 CO -0.01 0.66 -0.01 0.03 -0.87 0.00 0.00 176.83 176.63 3k9j h ARG 658 N 0.25 0.04 -0.74 4.77 3.08 -1.16 0.11 114.38 120.73 3k9j h ARG 658 Ca 0.03 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.20 3k9j h ARG 658 Cb 0.78 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.74 3k9j h ARG 658 CO 0.06 0.46 0.27 -1.49 -1.07 0.00 0.00 179.97 178.21 3k9j h TRP 659 N -0.39 0.46 -0.71 3.04 6.55 -0.44 -0.88 115.95 123.58 3k9j h TRP 659 Ca 0.00 0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.83 3k9j h TRP 659 Cb 0.45 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 3k9j h TRP 659 CO 0.08 0.04 0.23 0.37 -1.05 0.00 0.00 178.44 178.10 3k9j h GLN 660 N 0.41 1.10 -0.67 0.49 5.75 -0.61 -1.34 115.11 120.23 3k9j h GLN 660 Ca 0.41 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3k9j h GLN 660 Cb 0.62 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3k9j h GLN 660 CO -0.41 0.94 0.28 0.87 -2.65 0.00 0.00 178.83 177.85 3k9j h LYS 661 N 1.04 1.00 -0.13 1.69 1.57 -0.35 0.26 116.57 121.66 3k9j h LYS 661 Ca 0.23 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k9j h LYS 661 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3k9j h LYS 661 CO -0.01 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.78 3k9j h VAL 663 N 0.16 1.24 0.00 0.00 2.07 -0.94 0.17 116.25 118.95 3k9j h VAL 663 Ca 0.05 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3k9j h VAL 663 Cb -0.01 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 3k9j h VAL 663 CO -0.02 0.23 -0.24 0.44 0.02 0.00 0.00 177.57 178.00 3k9j h ASP 664 N 1.24 0.00 -0.52 0.57 3.32 0.12 -1.72 116.42 119.42 3k9j h ASP 664 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3k9j h ASP 664 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3k9j h ASP 664 CO -0.07 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 3k9j n ASN 666 N 0.73 -4.28 0.00 0.00 3.02 -0.65 -1.88 115.26 112.21 3k9j n ASN 666 Ca 0.23 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3k9j n ASN 666 Cb 0.93 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3k9j n ASN 666 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9j n GLY 667 N -1.10 0.74 3.76 7.41 0.00 0.57 -4.67 105.19 111.90 3k9j n GLY 667 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3k9j n GLY 667 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k9j s SER 668 N -2.94 2.92 0.76 1.61 0.01 -0.79 -4.46 113.70 110.82 3k9j s SER 668 Ca 0.00 0.84 -0.13 0.00 1.31 0.00 0.00 55.95 57.97 3k9j s SER 668 Cb 0.00 -1.29 0.06 0.00 0.21 0.00 0.00 66.02 64.99 3k9j s SER 668 CO 0.00 -2.91 1.14 -0.31 0.41 0.00 0.00 173.24 171.57 3k9j s TYR 669 N -3.28 2.22 0.00 2.43 4.12 -1.26 -4.78 117.35 116.80 3k9j s TYR 669 Ca 0.66 1.62 0.00 0.00 0.02 0.00 0.00 57.07 59.38 3k9j s TYR 669 Cb -0.13 -3.26 0.00 0.00 -1.52 0.00 0.00 41.96 37.05 3k9j s TYR 669 CO 0.54 -2.23 0.03 1.97 0.02 0.00 0.00 175.55 175.89 3k9j n PHE 670 N -3.18 0.00 -1.53 2.71 -1.74 -1.26 -5.00 117.46 107.45 3k9j n PHE 670 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.00 3k9j n PHE 670 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 3k9j n PHE 670 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80