#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9j s LYS 441 N 0.00 3.74 -0.08 1.45 2.20 -1.26 0.34 119.74 126.14 3k9j s LYS 441 Ca 0.00 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3k9j s LYS 441 Cb 0.00 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 3k9j s LYS 441 CO 0.00 0.12 0.04 0.21 -0.36 0.00 0.00 175.35 175.36 3k9j s LYS 442 N 0.73 0.23 -1.49 4.03 2.20 0.19 -4.84 119.74 120.80 3k9j s LYS 442 Ca 0.01 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 3k9j s LYS 442 Cb -0.14 -0.92 0.06 0.00 -1.51 0.00 0.00 37.83 35.32 3k9j s LYS 442 CO 0.02 -0.38 0.74 1.28 -0.36 0.00 0.00 175.35 176.66 3k9j n LEU 443 N 5.23 -2.42 0.00 5.43 4.77 -1.26 -0.99 117.00 127.75 3k9j n LEU 443 Ca -0.05 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3k9j n LEU 443 Cb 0.50 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 3k9j n LEU 443 CO 0.09 0.41 0.00 0.47 -1.33 0.00 0.00 177.39 177.03 3k9j n ASP 444 N -2.89 0.00 -4.93 -1.43 8.00 -1.26 -4.97 116.55 109.07 3k9j n ASP 444 Ca -0.11 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 3k9j n ASP 444 Cb 0.59 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3k9j n ASP 444 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k9j s LYS 445 N 0.00 3.54 -0.04 -1.24 -0.14 -0.16 -5.07 119.74 116.61 3k9j s LYS 445 Ca 0.00 -0.24 -0.16 0.00 -1.36 0.00 0.00 55.97 54.22 3k9j s LYS 445 Cb 0.00 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 3k9j s LYS 445 CO 0.00 0.22 0.42 -1.58 -0.76 0.00 0.00 175.35 173.65 3k9j s TRP 446 N -2.15 3.65 -0.01 3.18 0.51 -1.26 0.55 118.94 123.41 3k9j s TRP 446 Ca 0.41 0.94 -0.07 0.00 -2.12 0.00 0.00 56.10 55.26 3k9j s TRP 446 Cb -0.10 -2.37 0.00 0.00 -0.81 0.00 0.00 33.47 30.19 3k9j s TRP 446 CO 0.33 0.48 0.14 0.08 -0.51 0.00 0.00 176.95 177.47 3k9j s VAL 447 N -0.49 0.07 0.25 4.03 1.01 0.15 -4.91 120.40 120.50 3k9j s VAL 447 Ca 0.24 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 3k9j s VAL 447 Cb -0.16 -0.39 -0.14 0.00 0.00 0.00 0.00 36.38 35.69 3k9j s VAL 447 CO 0.12 -0.31 1.28 -2.65 0.00 0.00 0.00 175.10 173.54 3k9j n PRO 448 N 1.74 1.78 0.04 2.72 -0.02 -1.26 -0.51 135.00 139.49 3k9j n PRO 448 Ca -0.21 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3k9j n PRO 448 Cb 0.56 -2.20 0.58 0.00 -0.02 0.00 0.00 33.50 32.42 3k9j n PRO 448 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k9j h HIS 449 N 3.46 0.22 -2.97 6.00 -0.00 -2.00 -3.39 115.15 116.47 3k9j h HIS 449 Ca -0.44 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 59.69 3k9j h HIS 449 Cb 1.30 -0.07 -0.34 0.00 -0.00 0.00 0.00 27.41 28.30 3k9j h HIS 449 CO 0.54 0.11 -0.57 -2.00 -0.00 0.00 0.00 177.93 176.01 3k9j s GLU 450 N -5.22 0.10 0.20 5.26 2.12 -1.26 -5.04 118.70 114.87 3k9j s GLU 450 Ca -0.06 0.66 -0.31 0.00 0.36 0.00 0.00 54.97 55.62 3k9j s GLU 450 Cb 0.19 -0.14 -0.10 0.00 0.26 0.00 0.00 34.13 34.34 3k9j s GLU 450 CO 0.72 -0.29 1.45 -0.51 -0.54 0.00 0.00 175.26 176.09 3k9j s LEU 451 N 2.28 4.38 0.91 2.70 1.43 -1.26 -4.99 118.68 124.14 3k9j s LEU 451 Ca 0.01 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3k9j s LEU 451 Cb -0.12 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.63 3k9j s LEU 451 CO -0.07 -0.70 1.10 0.42 0.23 0.00 0.00 176.35 177.33 3k9j s THR 452 N 0.47 2.52 0.40 5.49 -4.23 -1.26 -4.81 115.64 114.21 3k9j s THR 452 Ca 0.62 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 3k9j s THR 452 Cb -0.41 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.25 3k9j s THR 452 CO 0.38 -0.22 2.02 -0.08 -0.54 0.00 0.00 174.62 176.18 3k9j h GLU 453 N -1.72 0.48 -0.07 3.99 4.57 -1.99 -1.61 114.58 118.23 3k9j h GLU 453 Ca -0.47 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 57.48 3k9j h GLU 453 Cb 1.27 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 3k9j h GLU 453 CO 0.48 0.37 -0.71 -0.91 -1.18 0.00 0.00 179.01 177.06 3k9j h ASN 454 N 0.48 0.40 -0.05 1.04 2.35 -1.99 0.12 115.58 117.94 3k9j h ASN 454 Ca 0.12 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 3k9j h ASN 454 Cb 0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3k9j h ASN 454 CO -0.02 0.98 -0.26 1.56 -1.65 0.00 0.00 177.43 178.05 3k9j h GLN 455 N 0.23 0.48 -0.33 0.81 4.20 -1.78 -1.35 115.11 117.36 3k9j h GLN 455 Ca -0.03 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 3k9j h GLN 455 Cb 1.28 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 3k9j h GLN 455 CO 0.12 0.70 -0.41 0.87 -0.67 0.00 0.00 178.83 179.44 3k9j h LYS 456 N 0.42 0.85 -0.78 1.46 1.57 -1.08 -2.36 116.57 116.65 3k9j h LYS 456 Ca 0.06 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 3k9j h LYS 456 Cb 0.68 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3k9j h LYS 456 CO 0.05 1.12 0.44 -0.91 -0.57 0.00 0.00 179.45 179.58 3k9j h ASN 457 N 0.64 0.96 -0.30 0.86 -0.26 -0.82 -0.78 115.58 115.87 3k9j h ASN 457 Ca 0.04 -0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 3k9j h ASN 457 Cb 1.00 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 3k9j h ASN 457 CO 0.10 0.76 -0.03 -0.09 -1.06 0.00 0.00 177.43 177.11 3k9j h ARG 458 N 1.09 0.56 -0.51 0.81 1.12 -1.17 0.09 114.38 116.37 3k9j h ARG 458 Ca 0.28 -0.19 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 3k9j h ARG 458 Cb 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.90 3k9j h ARG 458 CO -0.05 0.72 0.25 0.00 -3.11 0.00 0.00 179.97 177.78 3k9j h ARG 459 N 0.34 0.74 0.10 0.20 3.08 -1.26 -2.04 114.38 115.54 3k9j h ARG 459 Ca 0.08 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3k9j h ARG 459 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3k9j h ARG 459 CO 0.02 0.61 -0.20 0.35 -1.07 0.00 0.00 179.97 179.68 3k9j h PHE 460 N 0.68 -0.53 0.14 3.04 3.57 -1.01 -0.55 116.94 122.27 3k9j h PHE 460 Ca 0.18 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3k9j h PHE 460 Cb 0.12 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3k9j h PHE 460 CO -0.01 -0.29 -0.31 1.49 -2.23 0.00 0.00 178.31 176.96 3k9j h GLU 461 N -0.38 -0.53 -0.31 1.11 4.81 -0.82 0.88 114.58 119.34 3k9j h GLU 461 Ca 0.03 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3k9j h GLU 461 Cb 0.40 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3k9j h GLU 461 CO -0.12 -0.35 0.14 0.28 -0.73 0.00 0.00 179.01 178.23 3k9j h VAL 462 N -0.55 1.16 -0.09 0.32 2.07 -1.38 -0.42 116.25 117.36 3k9j h VAL 462 Ca 0.03 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3k9j h VAL 462 Cb 0.57 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3k9j h VAL 462 CO -0.17 0.17 -0.12 0.28 0.02 0.00 0.00 177.57 177.75 3k9j h SER 463 N 0.37 -0.36 -0.48 0.57 0.02 -0.91 0.21 113.55 112.97 3k9j h SER 463 Ca 0.11 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3k9j h SER 463 Cb 0.14 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3k9j h SER 463 CO -0.01 -0.16 0.24 -1.28 -1.14 0.00 0.00 176.83 174.48 3k9j h SER 464 N -0.15 0.34 -0.08 3.07 0.87 -0.65 -1.81 113.55 115.13 3k9j h SER 464 Ca 0.07 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3k9j h SER 464 Cb 0.26 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3k9j h SER 464 CO -0.18 0.24 -0.30 0.28 -0.53 0.00 0.00 176.83 176.33 3k9j h SER 465 N 0.47 0.56 -0.39 6.23 0.02 -0.66 -1.96 113.55 117.81 3k9j h SER 465 Ca 0.21 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3k9j h SER 465 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3k9j h SER 465 CO -0.15 0.84 0.01 -0.07 -1.14 0.00 0.00 176.83 176.31 3k9j h LEU 466 N 0.47 0.68 -0.21 5.07 3.38 -0.65 0.20 115.31 124.25 3k9j h LEU 466 Ca 0.06 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3k9j h LEU 466 Cb 0.76 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3k9j h LEU 466 CO 0.06 0.82 -0.08 0.40 0.09 0.00 0.00 178.44 179.72 3k9j h ILE 467 N 0.52 0.72 -0.61 1.22 2.04 -1.25 -0.92 117.51 119.23 3k9j h ILE 467 Ca 0.11 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3k9j h ILE 467 Cb 0.47 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3k9j h ILE 467 CO 0.02 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.20 3k9j h LEU 468 N -0.05 0.97 -0.53 1.44 3.38 -1.20 -1.12 115.31 118.20 3k9j h LEU 468 Ca 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3k9j h LEU 468 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3k9j h LEU 468 CO -0.25 0.99 0.32 -0.09 0.09 0.00 0.00 178.44 179.49 3k9j h ARG 469 N 0.92 0.73 -0.19 1.13 2.43 -0.46 -0.12 114.38 118.83 3k9j h ARG 469 Ca 0.19 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3k9j h ARG 469 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3k9j h ARG 469 CO 0.01 0.54 -0.32 -0.97 -1.51 0.00 0.00 179.97 177.72 3k9j h ASN 470 N 0.72 0.39 -0.20 -3.80 -0.73 -0.78 0.41 115.58 111.59 3k9j h ASN 470 Ca 0.19 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3k9j h ASN 470 Cb 0.00 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 3k9j h ASN 470 CO -0.03 0.70 0.09 0.45 -0.37 0.00 0.00 177.43 178.26 3k9j h HIS 471 N 0.33 0.29 -0.21 0.67 3.86 -0.95 -2.27 115.15 116.88 3k9j h HIS 471 Ca 0.04 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3k9j h HIS 471 Cb 0.73 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3k9j h HIS 471 CO 0.02 0.32 0.00 -0.91 0.86 0.00 0.00 177.93 178.22 3k9j h ASN 472 N 0.18 0.37 -2.00 2.45 2.35 -0.42 -3.40 115.58 115.10 3k9j h ASN 472 Ca 0.07 -0.30 -0.43 0.00 -0.55 0.00 0.00 56.30 55.08 3k9j h ASN 472 Cb 0.14 -0.10 -0.32 0.00 0.05 0.00 0.00 38.32 38.09 3k9j h ASN 472 CO -0.01 0.58 -0.77 -1.61 -1.65 0.00 0.00 177.43 173.97 3k9j s GLU 473 N -5.01 0.80 0.31 0.81 2.02 0.14 -5.10 118.70 112.67 3k9j s GLU 473 Ca -0.14 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.18 3k9j s GLU 473 Cb 0.07 -0.91 -0.13 0.00 0.10 0.00 0.00 34.13 33.26 3k9j s GLU 473 CO 0.73 -1.29 1.22 -2.30 0.02 0.00 0.00 175.26 173.65 3k9j n PRO 474 N 3.51 1.88 0.00 0.39 -0.02 -0.85 -4.46 135.00 135.44 3k9j n PRO 474 Ca 0.19 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3k9j n PRO 474 Cb 0.47 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.53 0.00 -0.20 6.00 -1.74 -1.26 -4.89 117.46 115.91 3k9j n PHE 475 Ca 0.07 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.04 3k9j n PHE 475 Cb 0.34 0.00 0.37 0.00 1.52 0.00 0.00 39.48 41.71 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 0.65 -0.05 5.98 3.38 -1.95 0.24 115.31 123.55 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 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k9j h LEU 476 CO 0.00 0.40 0.00 -0.90 0.09 0.00 0.00 178.44 178.03 3k9j n ASP 477 N -4.49 0.03 -0.31 -0.43 5.75 -1.26 -2.39 116.55 113.46 3k9j n ASP 477 Ca 0.12 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 3k9j n ASP 477 Cb 0.29 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 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 -1.54 0.75 -2.50 0.11 1.74 0.07 -4.83 116.66 110.47 3k9j n ARG 478 Ca 0.02 -0.62 -0.42 0.00 -0.77 0.00 0.00 57.85 56.06 3k9j n ARG 478 Cb 0.12 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.67 4.26 -0.06 0.55 1.01 -1.00 -1.51 121.20 121.78 3k9j s ILE 479 Ca 0.15 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.46 3k9j s ILE 479 Cb 0.17 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3k9j s ILE 479 CO 0.68 0.13 -0.14 -0.69 0.00 0.00 0.00 174.94 174.91 3k9j s VAL 480 N 1.04 3.05 0.08 2.92 1.01 0.21 -3.97 120.40 124.74 3k9j s VAL 480 Ca 0.57 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 3k9j s VAL 480 Cb -0.27 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3k9j s VAL 480 CO 0.29 0.59 0.02 0.28 0.00 0.00 0.00 175.10 176.27 3k9j s THR 481 N -0.64 0.18 0.20 3.92 -1.32 -0.08 -0.90 115.64 117.00 3k9j s THR 481 Ca 0.10 -1.79 -0.23 0.00 -1.21 0.00 0.00 61.69 58.56 3k9j s THR 481 Cb -0.11 -1.67 0.05 0.00 -1.51 0.00 0.00 72.50 69.26 3k9j s THR 481 CO 0.01 -0.80 0.69 0.00 -2.21 0.00 0.00 174.62 172.32 3k9j s ASP 483 N -2.82 -0.04 0.29 0.00 2.15 -1.05 -4.70 116.67 110.50 3k9j s ASP 483 Ca 0.06 -0.43 0.10 0.00 0.43 0.00 0.00 52.55 52.72 3k9j s ASP 483 Cb -0.03 0.36 -0.05 0.00 -0.30 0.00 0.00 42.92 42.90 3k9j s ASP 483 CO -0.03 -0.69 -0.07 -1.61 -0.17 0.00 0.00 175.17 172.60 3k9j s GLU 484 N -2.37 2.02 -0.19 4.34 8.01 -1.26 -2.29 118.70 126.96 3k9j s GLU 484 Ca 0.20 -1.63 -0.21 0.00 0.01 0.00 0.00 54.97 53.35 3k9j s GLU 484 Cb -0.01 -1.96 0.05 0.00 -4.31 0.00 0.00 34.13 27.91 3k9j s GLU 484 CO 0.02 0.29 0.57 0.21 0.01 0.00 0.00 175.26 176.36 3k9j s LYS 485 N -3.62 0.70 -0.11 1.61 2.20 -0.76 -4.98 119.74 114.78 3k9j s LYS 485 Ca 0.32 0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 56.36 3k9j s LYS 485 Cb -0.04 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3k9j s LYS 485 CO 0.18 -0.11 0.84 -1.58 -0.36 0.00 0.00 175.35 174.32 3k9j s TRP 486 N 0.08 3.51 -0.23 4.03 0.52 -1.26 -1.21 118.94 124.37 3k9j s TRP 486 Ca -0.02 1.35 -0.07 0.00 0.02 0.00 0.00 56.10 57.39 3k9j s TRP 486 Cb -0.04 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 3k9j s TRP 486 CO 0.02 -0.12 0.05 0.42 0.02 0.00 0.00 176.95 177.34 3k9j s ILE 487 N 1.62 4.29 0.17 2.03 1.01 -0.06 -4.95 121.20 125.31 3k9j s ILE 487 Ca 0.41 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 3k9j s ILE 487 Cb -0.18 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.25 3k9j s ILE 487 CO 0.17 0.38 0.52 -0.76 0.00 0.00 0.00 174.94 175.24 3k9j s LEU 488 N 1.27 4.26 0.37 2.97 1.43 -1.26 -1.45 118.68 126.27 3k9j s LEU 488 Ca 0.04 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.05 3k9j s LEU 488 Cb -0.15 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.69 3k9j s LEU 488 CO 0.03 0.04 0.54 -0.72 0.23 0.00 0.00 176.35 176.46 3k9j s TYR 489 N -1.62 1.00 -1.50 0.29 1.13 -0.59 -4.72 117.35 111.35 3k9j s TYR 489 Ca 0.41 -1.29 -0.13 0.00 -1.41 0.00 0.00 57.07 54.66 3k9j s TYR 489 Cb -0.13 0.05 0.07 0.00 -1.10 0.00 0.00 41.96 40.85 3k9j s TYR 489 CO 0.20 -1.24 1.02 -3.47 -2.51 0.00 0.00 175.55 169.55 3k9j n ASP 490 N -1.58 -5.06 -2.21 -0.18 2.03 0.74 -4.66 116.55 105.63 3k9j n ASP 490 Ca -0.00 -0.74 -0.24 0.00 0.52 0.00 0.00 54.79 54.33 3k9j n ASP 490 Cb 0.61 -4.09 0.01 0.00 -0.72 0.00 0.00 41.12 36.93 3k9j n ASP 490 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3k9j n ASN 491 N -2.87 4.74 0.00 1.67 6.94 0.41 -4.94 115.26 121.21 3k9j n ASN 491 Ca 0.03 -3.69 0.00 0.00 -0.02 0.00 0.00 54.58 50.90 3k9j n ASN 491 Cb 0.53 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3k9j n ASN 491 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 3k9j n PRO 515 N -0.62 0.00 -1.01 -0.53 -0.02 -1.26 -4.74 135.00 126.83 3k9j n PRO 515 Ca 0.41 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3k9j n PRO 515 Cb 0.86 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.33 3k9j n PRO 515 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3k9j n LYS 516 N -0.36 -0.08 -3.59 -0.52 0.00 -1.26 -4.99 118.16 107.36 3k9j n LYS 516 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 58.31 58.32 3k9j n LYS 516 Cb 0.00 -3.31 -0.06 0.00 0.00 0.00 0.00 35.03 31.66 3k9j n LYS 516 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3k9j s LYS 517 N -0.54 0.71 -0.03 1.64 -2.85 -1.26 -1.54 119.74 115.87 3k9j s LYS 517 Ca 0.00 0.41 0.03 0.00 -1.00 0.00 0.00 55.97 55.40 3k9j s LYS 517 Cb 0.00 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 3k9j s LYS 517 CO 0.00 -0.17 -0.10 0.54 0.10 0.00 0.00 175.35 175.72 3k9j s VAL 518 N -0.57 0.84 0.05 1.79 0.11 -0.53 -4.46 120.40 117.63 3k9j s VAL 518 Ca -0.02 -0.39 -0.24 0.00 -2.93 0.00 0.00 61.98 58.40 3k9j s VAL 518 Cb -0.02 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 3k9j s VAL 518 CO 0.01 0.26 0.74 -0.32 -3.33 0.00 0.00 175.10 172.47 3k9j s MET 519 N 0.20 4.48 0.04 1.54 1.75 -1.26 -0.88 119.30 125.16 3k9j s MET 519 Ca -0.03 1.03 0.07 0.00 -1.25 0.00 0.00 55.69 55.50 3k9j s MET 519 Cb -0.09 -3.35 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 3k9j s MET 519 CO 0.01 0.32 -0.17 0.54 -0.65 0.00 0.00 175.02 175.07 3k9j s VAL 520 N -0.19 2.88 -0.05 10.11 0.11 -0.35 -0.80 120.40 132.12 3k9j s VAL 520 Ca 0.37 -1.15 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 3k9j s VAL 520 Cb -0.20 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 3k9j s VAL 520 CO 0.23 0.33 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.25 3k9j s THR 521 N -0.94 2.65 -0.02 5.04 2.01 -0.05 -1.82 115.64 122.51 3k9j s THR 521 Ca 0.15 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3k9j s THR 521 Cb -0.11 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 3k9j s THR 521 CO 0.06 0.58 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.93 3k9j s ILE 522 N -0.55 1.03 -0.04 1.82 2.07 -0.97 -1.14 121.20 123.42 3k9j s ILE 522 Ca 0.08 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 58.83 3k9j s ILE 522 Cb -0.11 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 3k9j s ILE 522 CO 0.01 0.30 -0.16 0.26 -1.91 0.00 0.00 174.94 173.44 3k9j s TRP 523 N -0.08 1.59 0.23 3.50 0.52 0.47 -2.52 118.94 122.66 3k9j s TRP 523 Ca 0.01 -0.44 -0.19 0.00 0.02 0.00 0.00 56.10 55.50 3k9j s TRP 523 Cb -0.07 -1.07 0.03 0.00 -1.15 0.00 0.00 33.47 31.20 3k9j s TRP 523 CO 0.00 -0.14 0.61 1.67 0.02 0.00 0.00 176.95 179.11 3k9j s TRP 524 N 0.01 -0.16 0.30 -1.98 1.48 -0.27 -0.80 118.94 117.52 3k9j s TRP 524 Ca -0.03 -0.22 0.05 0.00 -1.06 0.00 0.00 56.10 54.84 3k9j s TRP 524 Cb -0.11 0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 32.70 3k9j s TRP 524 CO 0.02 -1.05 0.25 -1.54 -4.06 0.00 0.00 176.95 170.56 3k9j s SER 525 N -2.89 1.23 0.62 -2.66 1.04 -0.11 -0.90 113.70 110.02 3k9j s SER 525 Ca 0.10 -1.65 0.28 0.00 0.48 0.00 0.00 55.95 55.16 3k9j s SER 525 Cb -0.03 0.51 1.43 0.00 0.10 0.00 0.00 66.02 68.03 3k9j s SER 525 CO 0.01 -1.01 1.83 0.00 0.98 0.00 0.00 173.24 175.05 3k9j h ALA 526 N 2.26 1.94 0.00 5.32 0.00 -1.83 0.49 119.26 127.45 3k9j h ALA 526 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3k9j h ALA 526 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3k9j h ALA 526 CO 0.41 -0.66 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 3k9j h ALA 527 N 1.30 0.98 0.00 0.00 0.00 -1.90 -3.17 119.26 116.48 3k9j h ALA 527 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k9j h ALA 527 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3k9j h ALA 527 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3k9j n GLY 528 N 1.16 0.83 3.73 0.00 0.00 0.17 -4.84 105.19 106.25 3k9j n GLY 528 Ca 0.04 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.24 0.99 2.96 -1.26 -0.94 118.68 124.57 3k9j s LEU 529 Ca 0.00 2.60 -0.07 0.00 -0.22 0.00 0.00 54.13 56.44 3k9j s LEU 529 Cb 0.00 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 3k9j s LEU 529 CO 0.00 -0.76 -0.27 -0.38 -1.32 0.00 0.00 176.35 173.62 3k9j n ILE 530 N 3.37 1.35 -3.62 6.68 5.41 0.02 -4.91 119.36 127.66 3k9j n ILE 530 Ca 0.11 -0.41 -0.08 0.00 1.00 0.00 0.00 62.75 63.36 3k9j n ILE 530 Cb 0.40 -1.63 -0.06 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.46 -0.36 0.06 1.39 5.04 -0.99 -4.83 115.29 113.13 3k9j s HIS 531 Ca -0.33 0.80 -0.05 0.00 -1.54 0.00 0.00 55.06 53.93 3k9j s HIS 531 Cb 0.11 0.41 -0.02 0.00 0.04 0.00 0.00 32.58 33.13 3k9j s HIS 531 CO 0.48 -0.23 0.09 1.52 -2.34 0.00 0.00 174.74 174.26 3k9j s TYR 532 N -0.30 0.28 0.03 3.88 1.13 -1.26 -0.39 117.35 120.71 3k9j s TYR 532 Ca 0.02 -0.69 -0.19 0.00 -1.41 0.00 0.00 57.07 54.80 3k9j s TYR 532 Cb -0.03 -0.19 0.04 0.00 -1.10 0.00 0.00 41.96 40.68 3k9j s TYR 532 CO -0.05 -0.43 0.42 -1.54 -2.51 0.00 0.00 175.55 171.45 3k9j s SER 533 N -2.59 -0.30 -0.10 -0.18 1.04 -0.30 -4.95 113.70 106.31 3k9j s SER 533 Ca 0.02 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.47 3k9j s SER 533 Cb 0.03 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3k9j s SER 533 CO -0.08 -0.64 0.02 -0.36 0.98 0.00 0.00 173.24 173.16 3k9j s PHE 534 N -2.27 3.22 0.53 5.02 0.40 -1.26 -0.87 117.98 122.74 3k9j s PHE 534 Ca -0.06 0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.35 3k9j s PHE 534 Cb -0.01 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 3k9j s PHE 534 CO -0.01 0.44 0.91 -0.51 0.70 0.00 0.00 175.22 176.75 3k9j s LEU 535 N -0.69 3.51 0.44 -0.37 1.02 0.02 -5.01 118.68 117.59 3k9j s LEU 535 Ca 0.11 1.27 -0.24 0.00 0.02 0.00 0.00 54.13 55.30 3k9j s LEU 535 Cb -0.12 -4.25 -0.08 0.00 0.02 0.00 0.00 46.19 41.77 3k9j s LEU 535 CO 0.02 -0.66 1.18 0.20 0.02 0.00 0.00 176.35 177.12 3k9j s ASN 536 N -3.77 6.27 0.47 2.29 0.01 -1.26 -4.38 114.94 114.58 3k9j s ASN 536 Ca 0.53 2.36 -0.23 0.00 -0.71 0.00 0.00 52.86 54.81 3k9j s ASN 536 Cb -0.10 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.86 3k9j s ASN 536 CO 0.43 -0.85 1.05 -2.65 -1.51 0.00 0.00 177.10 173.57 3k9j n PRO 537 N -0.27 1.35 -0.88 -0.60 -0.02 -1.26 -1.27 135.00 132.06 3k9j n PRO 537 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3k9j n PRO 537 Cb 0.47 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.14 0.40 3.49 -1.23 0.00 -1.26 -4.97 105.19 102.76 3k9j n GLY 538 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 3.69 -0.12 1.61 2.12 -0.40 -5.10 118.70 119.82 3k9j s GLU 539 Ca 0.00 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.78 3k9j s GLU 539 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 3k9j s GLU 539 CO 0.00 0.13 0.09 -0.08 -0.54 0.00 0.00 175.26 174.85 3k9j s THR 540 N 0.70 5.04 0.14 -1.70 -1.32 -1.26 -4.72 115.64 112.53 3k9j s THR 540 Ca -0.00 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 3k9j s THR 540 Cb -0.14 -3.19 -0.07 0.00 -1.51 0.00 0.00 72.50 67.59 3k9j s THR 540 CO 0.02 0.58 1.14 -0.51 -2.21 0.00 0.00 174.62 173.64 3k9j s ILE 541 N -0.72 3.90 0.40 5.08 2.07 -1.26 -5.04 121.20 125.63 3k9j s ILE 541 Ca 0.12 1.54 0.08 0.00 -1.41 0.00 0.00 60.65 60.98 3k9j s ILE 541 Cb -0.12 -3.98 -0.06 0.00 0.13 0.00 0.00 42.46 38.43 3k9j s ILE 541 CO 0.03 0.22 0.12 0.42 -1.91 0.00 0.00 174.94 173.81 3k9j s THR 542 N 0.18 2.32 0.20 4.00 -4.23 -1.26 -4.76 115.64 112.09 3k9j s THR 542 Ca 0.52 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3k9j s THR 542 Cb -0.30 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.71 3k9j s THR 542 CO 0.33 -0.04 1.75 -1.28 -0.54 0.00 0.00 174.62 174.84 3k9j h SER 543 N 1.56 1.05 -0.81 3.99 0.87 -1.87 -1.60 113.55 116.75 3k9j h SER 543 Ca -0.43 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 59.96 3k9j h SER 543 Cb 1.25 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 3k9j h SER 543 CO 0.72 0.96 0.53 -0.33 -0.53 0.00 0.00 176.83 178.18 3k9j h GLU 544 N 1.08 1.01 0.13 2.24 3.07 -1.94 -1.00 114.58 119.17 3k9j h GLU 544 Ca 0.24 -0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.76 3k9j h GLU 544 Cb 0.27 -0.23 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3k9j h GLU 544 CO -0.01 0.67 -1.23 0.87 -1.40 0.00 0.00 179.01 177.90 3k9j h LYS 545 N 1.04 0.39 -0.89 2.33 1.57 -1.90 -3.01 116.57 116.10 3k9j h LYS 545 Ca 0.31 -0.59 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3k9j h LYS 545 Cb -0.04 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3k9j h LYS 545 CO -0.08 1.26 0.58 -0.92 -0.57 0.00 0.00 179.45 179.72 3k9j h TYR 546 N 0.14 1.08 -0.94 -1.35 3.20 -1.07 -0.94 116.97 117.10 3k9j h TYR 546 Ca -0.15 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.77 3k9j h TYR 546 Cb 1.93 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 39.79 3k9j h TYR 546 CO 0.08 0.63 0.62 0.00 -1.64 0.00 0.00 178.16 177.85 3k9j h ALA 547 N 1.36 1.37 -0.38 1.82 0.00 -1.19 -0.35 119.26 121.89 3k9j h ALA 547 Ca 0.35 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3k9j h ALA 547 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3k9j h ALA 547 CO -0.11 0.55 -0.15 1.96 0.00 0.00 0.00 179.25 181.50 3k9j h GLN 548 N 1.21 0.71 -0.38 0.00 4.20 -1.20 -2.63 115.11 117.02 3k9j h GLN 548 Ca 0.36 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3k9j h GLN 548 Cb -0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3k9j h GLN 548 CO -0.10 0.82 0.15 0.93 -0.67 0.00 0.00 178.83 179.96 3k9j h GLU 549 N 0.63 0.57 -0.76 1.46 4.39 -0.32 -2.55 114.58 117.99 3k9j h GLU 549 Ca 0.10 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3k9j h GLU 549 Cb 0.62 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 3k9j h GLU 549 CO 0.04 0.55 0.43 0.82 -1.16 0.00 0.00 179.01 179.69 3k9j h ILE 550 N 0.47 0.93 -0.27 3.13 2.04 -0.94 0.11 117.51 122.98 3k9j h ILE 550 Ca 0.13 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3k9j h ILE 550 Cb 0.20 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3k9j h ILE 550 CO -0.01 0.14 0.13 0.44 0.00 0.00 0.00 178.15 178.85 3k9j h ASP 551 N 0.75 0.19 -0.41 1.72 3.32 -1.30 0.15 116.42 120.84 3k9j h ASP 551 Ca 0.36 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3k9j h ASP 551 Cb 0.29 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3k9j h ASP 551 CO -0.22 0.15 0.21 -0.08 -1.72 0.00 0.00 179.24 177.57 3k9j h GLU 552 N 0.28 0.58 -0.58 3.56 4.57 -0.95 -1.52 114.58 120.52 3k9j h GLU 552 Ca 0.11 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3k9j h GLU 552 Cb 0.04 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3k9j h GLU 552 CO -0.08 0.49 0.30 1.98 -1.18 0.00 0.00 179.01 180.52 3k9j h MET 553 N 0.53 0.83 -0.91 1.92 4.05 -0.57 -2.15 114.93 118.62 3k9j h MET 553 Ca 0.14 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3k9j h MET 553 Cb 0.09 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 3k9j h MET 553 CO -0.02 0.65 0.54 -0.97 0.23 0.00 0.00 176.91 177.34 3k9j h ASN 554 N 0.79 1.09 -0.63 1.39 -1.24 -0.50 0.47 115.58 116.95 3k9j h ASN 554 Ca 0.20 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 3k9j h ASN 554 Cb 0.08 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 3k9j h ASN 554 CO -0.03 0.84 0.30 1.56 -1.29 0.00 0.00 177.43 178.81 3k9j h GLN 555 N 1.25 0.92 -0.42 6.67 4.20 -0.89 0.12 115.11 126.97 3k9j h GLN 555 Ca 0.33 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3k9j h GLN 555 Cb -0.05 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3k9j h GLN 555 CO -0.06 0.74 -0.05 0.87 -0.67 0.00 0.00 178.83 179.66 3k9j h LYS 556 N 0.87 0.77 -0.50 1.46 1.57 -0.74 -2.15 116.57 117.85 3k9j h LYS 556 Ca 0.22 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3k9j h LYS 556 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3k9j h LYS 556 CO -0.03 0.88 0.26 1.25 -0.57 0.00 0.00 179.45 181.24 3k9j h LEU 557 N 0.60 0.64 -1.20 2.94 6.46 0.25 -0.97 115.31 124.02 3k9j h LEU 557 Ca 0.11 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3k9j h LEU 557 Cb 0.56 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 3k9j h LEU 557 CO 0.03 0.57 0.54 1.56 -0.62 0.00 0.00 178.44 180.52 3k9j h GLN 558 N 0.67 1.05 -0.26 1.25 4.20 -0.60 -1.38 115.11 120.03 3k9j h GLN 558 Ca 0.17 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 3k9j h GLN 558 Cb 0.08 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3k9j h GLN 558 CO -0.03 0.70 -0.43 0.00 -0.67 0.00 0.00 178.83 178.40 3k9j h ARG 559 N 1.08 0.75 -0.59 1.46 3.08 -0.71 -2.95 114.38 116.51 3k9j h ARG 559 Ca 0.31 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3k9j h ARG 559 Cb -0.08 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3k9j h ARG 559 CO -0.07 1.09 0.34 -0.07 -1.07 0.00 0.00 179.97 180.18 3k9j h LEU 560 N 0.49 0.71 0.00 3.04 3.38 -0.91 -2.80 115.31 119.22 3k9j h LEU 560 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k9j h LEU 560 Cb 1.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3k9j h LEU 560 CO 0.10 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3k9j n GLN 561 N -4.40 0.60 -2.37 1.13 1.13 -0.55 -5.11 117.38 107.81 3k9j n GLN 561 Ca 0.06 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.71 3k9j n GLN 561 Cb 0.08 -1.14 0.01 0.00 0.11 0.00 0.00 30.24 29.31 3k9j n GLN 561 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3k9j n LEU 562 N -0.64 7.62 -4.87 1.08 4.77 -1.06 -5.08 117.00 118.82 3k9j n LEU 562 Ca 0.04 -5.18 -0.30 0.00 -0.03 0.00 0.00 56.01 50.54 3k9j n LEU 562 Cb 0.02 -1.24 -0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3k9j n LEU 562 CO 0.03 2.05 0.64 -0.75 -1.33 0.00 0.00 177.39 178.02 3k9j s LYS 568 N -3.11 3.67 0.04 3.23 2.47 -1.26 -5.13 119.74 119.65 3k9j s LYS 568 Ca 0.45 0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 55.22 3k9j s LYS 568 Cb 0.19 -2.17 -0.08 0.00 -1.46 0.00 0.00 37.83 34.31 3k9j s LYS 568 CO -0.12 -0.40 1.78 1.03 0.16 0.00 0.00 175.35 177.80 3k9j s ARG 569 N -4.78 4.17 0.52 4.03 1.81 -1.26 -4.95 118.95 118.48 3k9j s ARG 569 Ca 0.54 2.43 -0.20 0.00 -1.72 0.00 0.00 55.73 56.78 3k9j s ARG 569 Cb -0.11 -3.87 -0.06 0.00 -0.45 0.00 0.00 34.95 30.46 3k9j s ARG 569 CO 0.46 -0.85 1.13 -2.14 -0.68 0.00 0.00 175.30 173.22 3k9j s PRO 570 N 3.57 3.50 -0.11 3.54 0.02 -1.26 -4.88 135.00 139.38 3k9j s PRO 570 Ca 0.80 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3k9j s PRO 570 Cb -0.40 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.01 3k9j s PRO 570 CO 0.35 -0.73 -0.19 0.42 -0.33 0.00 0.00 177.00 176.52 3k9j s ILE 571 N -1.73 1.74 -0.15 2.83 1.01 -0.57 -3.38 121.20 120.95 3k9j s ILE 571 Ca 0.70 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 3k9j s ILE 571 Cb -0.24 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3k9j s ILE 571 CO 0.28 0.49 0.50 -0.22 0.00 0.00 0.00 174.94 175.99 3k9j s LEU 572 N 0.72 4.23 -0.27 2.97 2.96 0.39 -0.62 118.68 129.07 3k9j s LEU 572 Ca -0.11 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.51 3k9j s LEU 572 Cb -0.16 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.82 3k9j s LEU 572 CO 0.02 -0.07 0.05 -0.22 -1.32 0.00 0.00 176.35 174.81 3k9j s LEU 573 N 0.98 3.55 0.23 -0.68 2.96 -0.07 -1.01 118.68 124.64 3k9j s LEU 573 Ca 0.26 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.44 3k9j s LEU 573 Cb -0.15 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3k9j s LEU 573 CO 0.10 -0.13 0.53 -1.38 -1.32 0.00 0.00 176.35 174.16 3k9j s HIS 574 N 1.51 0.08 -0.59 5.38 -3.43 -1.26 -3.48 115.29 113.50 3k9j s HIS 574 Ca 0.04 -0.46 -0.25 0.00 -0.80 0.00 0.00 55.06 53.59 3k9j s HIS 574 Cb -0.16 0.35 0.04 0.00 -1.43 0.00 0.00 32.58 31.38 3k9j s HIS 574 CO 0.01 -1.00 1.03 0.34 -2.00 0.00 0.00 174.74 173.11 3k9j s ASP 575 N -2.94 6.32 0.00 7.38 3.68 -1.26 -4.87 116.67 124.98 3k9j s ASP 575 Ca 0.15 -0.36 0.23 0.00 2.13 0.00 0.00 52.55 54.69 3k9j s ASP 575 Cb -0.02 -2.47 1.18 0.00 -1.45 0.00 0.00 42.92 40.17 3k9j s ASP 575 CO 0.04 -1.37 1.78 -0.46 0.13 0.00 0.00 175.17 175.30 3k9j n ASN 576 N 7.87 0.51 0.10 -0.34 6.94 -1.26 -3.04 115.26 126.04 3k9j n ASN 576 Ca 0.02 -1.41 0.13 0.00 -0.02 0.00 0.00 54.58 53.30 3k9j n ASN 576 Cb 0.48 -0.02 0.29 0.00 -2.36 0.00 0.00 39.78 38.16 3k9j n ASN 576 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k9j h ALA 577 N 3.84 0.84 -2.66 -2.53 0.00 -1.94 -3.46 119.26 113.36 3k9j h ALA 577 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3k9j h ALA 577 Cb 0.15 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.04 3k9j h ALA 577 CO 0.00 0.00 0.70 0.54 0.00 0.00 0.00 179.25 180.49 3k9j n ARG 578 N -2.30 2.41 -0.23 0.00 1.74 -1.17 -4.89 116.66 112.22 3k9j n ARG 578 Ca 0.04 0.85 0.11 0.00 -0.77 0.00 0.00 57.85 58.09 3k9j n ARG 578 Cb 0.45 -2.54 0.39 0.00 -1.02 0.00 0.00 32.46 29.74 3k9j n ARG 578 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3k9j h PRO 579 N 3.59 0.64 -0.01 5.56 0.13 -1.93 -1.85 132.00 138.13 3k9j h PRO 579 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3k9j h PRO 579 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3k9j h PRO 579 CO 0.70 0.42 0.00 -2.39 -0.23 0.00 0.00 178.00 176.50 3k9j n HIS 580 N -4.53 0.01 -2.81 1.56 1.44 -1.26 -3.90 115.22 105.73 3k9j n HIS 580 Ca 0.15 -0.01 -0.42 0.00 -2.01 0.00 0.00 57.72 55.44 3k9j n HIS 580 Cb 0.43 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.55 3k9j n HIS 580 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3k9j n VAL 581 N -0.48 5.62 -2.95 0.61 0.31 -0.70 -3.97 118.33 116.77 3k9j n VAL 581 Ca 0.01 -5.87 0.00 0.00 -0.01 0.00 0.00 64.34 58.47 3k9j n VAL 581 Cb 0.01 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 3k9j n VAL 581 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k9j n ALA 582 N 0.88 0.00 -0.32 3.52 0.00 -1.25 -4.90 120.51 118.44 3k9j n ALA 582 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.87 3k9j n ALA 582 Cb 0.30 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.02 3k9j n ALA 582 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k9j h GLN 583 N 0.00 0.91 -0.41 0.00 5.75 -1.95 -2.05 115.11 117.37 3k9j h GLN 583 Ca 0.00 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 3k9j h GLN 583 Cb 0.00 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 3k9j h GLN 583 CO 0.00 0.60 -0.15 -1.35 -2.65 0.00 0.00 178.83 175.28 3k9j h PRO 584 N 0.94 0.75 -0.45 -2.39 0.11 -1.94 -0.31 132.00 128.72 3k9j h PRO 584 Ca 0.46 -0.27 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3k9j h PRO 584 Cb 0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3k9j h PRO 584 CO -0.22 0.87 0.18 1.15 -0.21 0.00 0.00 178.00 179.77 3k9j h THR 585 N 0.67 1.20 -0.43 -1.15 2.02 -1.56 -2.15 112.91 111.52 3k9j h THR 585 Ca 0.11 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.55 3k9j h THR 585 Cb 0.64 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3k9j h THR 585 CO 0.04 0.23 -0.20 -0.07 0.37 0.00 0.00 175.52 175.89 3k9j h LEU 586 N 0.58 0.85 -0.39 2.58 3.38 -1.03 -1.70 115.31 119.58 3k9j h LEU 586 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k9j h LEU 586 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3k9j h LEU 586 CO -0.01 1.03 0.23 1.56 0.09 0.00 0.00 178.44 181.34 3k9j h GLN 587 N 0.74 0.53 -0.59 1.13 4.20 -1.04 -2.20 115.11 117.87 3k9j h GLN 587 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3k9j h GLN 587 Cb 0.73 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3k9j h GLN 587 CO 0.06 0.40 0.37 -0.22 -0.67 0.00 0.00 178.83 178.77 3k9j h LYS 588 N 0.51 0.79 -0.41 1.46 1.63 -0.97 0.10 116.57 119.69 3k9j h LYS 588 Ca 0.14 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3k9j h LYS 588 Cb 0.01 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3k9j h LYS 588 CO -0.03 0.56 0.14 -0.07 -3.45 0.00 0.00 179.45 176.60 3k9j h LEU 589 N 0.80 0.59 -0.39 5.20 3.38 -1.22 -1.41 115.31 122.26 3k9j h LEU 589 Ca 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k9j h LEU 589 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3k9j h LEU 589 CO -0.04 0.63 0.22 -1.13 0.09 0.00 0.00 178.44 178.20 3k9j h ASN 590 N 0.52 0.48 -0.91 -0.43 -1.24 -1.22 0.87 115.58 113.65 3k9j h ASN 590 Ca 0.13 -0.08 0.13 0.00 0.71 0.00 0.00 56.30 57.20 3k9j h ASN 590 Cb 0.24 -0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.08 3k9j h ASN 590 CO -0.01 0.42 0.52 -0.08 -1.29 0.00 0.00 177.43 176.99 3k9j h GLU 591 N 0.50 0.76 -0.02 6.67 4.81 -0.49 -2.18 114.58 124.63 3k9j h GLU 591 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3k9j h GLU 591 Cb 0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3k9j h GLU 591 CO -0.02 0.50 -0.10 1.28 -0.73 0.00 0.00 179.01 179.94 3k9j n LEU 592 N -4.76 1.71 -0.56 1.64 4.77 -0.56 -4.95 117.00 114.29 3k9j n LEU 592 Ca 0.18 -0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 55.56 3k9j n LEU 592 Cb 0.40 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3k9j n LEU 592 CO 0.24 0.29 -0.02 0.61 -1.33 0.00 0.00 177.39 177.18 3k9j n GLY 593 N 1.27 0.36 3.60 -0.72 0.00 -0.57 -5.02 105.19 104.11 3k9j n GLY 593 Ca 0.16 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.41 3.21 0.56 1.61 1.51 0.19 -4.74 117.35 117.28 3k9j s TYR 594 Ca 0.03 0.68 -0.19 0.00 -1.01 0.00 0.00 57.07 56.58 3k9j s TYR 594 Cb -0.01 -3.10 -0.05 0.00 -0.11 0.00 0.00 41.96 38.69 3k9j s TYR 594 CO 0.03 -0.52 1.12 -2.00 -1.11 0.00 0.00 175.55 173.07 3k9j s GLU 595 N 2.77 3.29 -0.03 -0.62 2.12 -1.22 -4.57 118.70 120.45 3k9j s GLU 595 Ca 0.28 1.55 0.07 0.00 0.36 0.00 0.00 54.97 57.23 3k9j s GLU 595 Cb -0.15 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 3k9j s GLU 595 CO 0.12 -0.89 -0.24 0.08 -0.54 0.00 0.00 175.26 173.79 3k9j s VAL 596 N -1.90 1.91 0.18 3.70 1.01 -1.26 -0.46 120.40 123.58 3k9j s VAL 596 Ca 0.71 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 3k9j s VAL 596 Cb -0.23 -1.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 3k9j s VAL 596 CO 0.29 0.54 0.75 -0.22 0.00 0.00 0.00 175.10 176.46 3k9j s LEU 597 N -0.45 4.51 0.45 3.92 2.96 -0.18 -4.90 118.68 124.99 3k9j s LEU 597 Ca 0.06 1.56 -0.24 0.00 -0.22 0.00 0.00 54.13 55.29 3k9j s LEU 597 Cb -0.10 -3.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.11 3k9j s LEU 597 CO 0.00 0.15 1.10 -2.65 -1.32 0.00 0.00 176.35 173.64 3k9j n PRO 598 N 1.31 1.49 -3.68 0.98 -0.02 -1.26 -4.78 135.00 129.03 3k9j n PRO 598 Ca -0.05 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3k9j n PRO 598 Cb 0.50 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.28 -0.55 0.53 6.00 2.46 -1.26 -5.04 115.29 116.15 3k9j s HIS 599 Ca 0.64 1.16 -0.16 0.00 0.47 0.00 0.00 55.06 57.17 3k9j s HIS 599 Cb -0.52 0.15 -0.07 0.00 -0.13 0.00 0.00 32.58 32.01 3k9j s HIS 599 CO 0.56 -0.36 1.00 -1.25 -2.47 0.00 0.00 174.74 172.22 3k9j s PRO 600 N 1.93 3.85 0.75 2.88 0.04 -1.26 -4.92 135.00 138.27 3k9j s PRO 600 Ca -0.05 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 3k9j s PRO 600 Cb -0.11 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.33 3k9j s PRO 600 CO -0.11 -0.36 0.89 -2.30 0.04 0.00 0.00 177.00 175.17 3k9j n PRO 601 N -1.64 0.37 -3.91 0.56 -0.02 -1.26 -3.78 135.00 125.32 3k9j n PRO 601 Ca 0.07 0.18 -0.28 0.00 -2.02 0.00 0.00 63.50 61.45 3k9j n PRO 601 Cb 0.54 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3k9j n PRO 601 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k9j n TYR 602 N -2.68 -2.02 -3.11 6.00 0.53 -1.26 -4.92 117.16 109.70 3k9j n TYR 602 Ca 0.12 0.85 -0.23 0.00 -1.02 0.00 0.00 57.90 57.62 3k9j n TYR 602 Cb 0.50 -3.90 -0.04 0.00 -1.03 0.00 0.00 39.34 34.86 3k9j n TYR 602 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3k9j n SER 603 N -2.89 2.52 0.29 7.72 7.64 -1.25 -4.84 113.62 122.81 3k9j n SER 603 Ca -0.10 -3.30 0.16 0.00 1.01 0.00 0.00 58.87 56.64 3k9j n SER 603 Cb 0.58 -0.60 0.85 0.00 -1.01 0.00 0.00 64.21 64.03 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 3.19 0.00 0.00 1.43 0.11 -1.91 -1.88 132.00 132.94 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 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3k9j h PRO 604 CO 0.66 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3k9j n ASP 605 N -3.51 0.00 -0.51 -2.05 5.75 -1.26 -1.80 116.55 113.16 3k9j n ASP 605 Ca -0.02 0.40 0.04 0.00 -0.01 0.00 0.00 54.79 55.20 3k9j n ASP 605 Cb 0.19 -0.45 0.12 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.45 2.74 -4.17 -2.12 4.32 -0.71 -4.88 117.00 110.74 3k9j n LEU 606 Ca 0.04 -2.00 -0.35 0.00 -0.02 0.00 0.00 56.01 53.68 3k9j n LEU 606 Cb 0.14 -0.19 -0.14 0.00 -1.62 0.00 0.00 43.42 41.62 3k9j n LEU 606 CO 0.12 0.69 -0.37 -0.76 -1.22 0.00 0.00 177.39 175.84 3k9j s LEU 607 N -1.00 3.78 0.43 2.23 1.43 -0.74 -5.00 118.68 119.80 3k9j s LEU 607 Ca 0.19 -1.22 0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3k9j s LEU 607 Cb 0.10 -1.70 0.97 0.00 0.03 0.00 0.00 46.19 45.59 3k9j s LEU 607 CO 0.13 -0.24 2.03 -0.65 0.23 0.00 0.00 176.35 177.85 3k9j h PRO 608 N 7.99 0.43 -0.50 1.29 0.11 -1.88 0.51 132.00 139.95 3k9j h PRO 608 Ca -0.22 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3k9j h PRO 608 Cb 1.07 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3k9j h PRO 608 CO 0.53 0.28 0.28 1.15 -0.21 0.00 0.00 178.00 180.03 3k9j h THR 609 N 0.44 1.15 0.00 -1.15 2.02 -1.93 -0.12 112.91 113.32 3k9j h THR 609 Ca 0.19 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3k9j h THR 609 Cb 0.21 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3k9j h THR 609 CO -0.05 0.17 -0.37 0.78 0.37 0.00 0.00 175.52 176.42 3k9j h ASN 610 N 0.69 0.00 1.60 4.18 4.21 -1.24 0.18 115.58 125.20 3k9j h ASN 610 Ca 0.18 -0.83 0.00 0.00 1.21 0.00 0.00 56.30 56.86 3k9j h ASN 610 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3k9j h ASN 610 CO -0.03 1.13 0.00 0.10 -1.29 0.00 0.00 177.43 177.34 3k9j h TYR 611 N -1.00 0.00 0.00 1.19 -0.00 -1.18 -3.26 116.97 112.72 3k9j h TYR 611 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.63 3k9j h TYR 611 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.80 3k9j h TYR 611 CO 0.22 0.00 0.00 1.58 -0.00 0.00 0.00 178.16 179.96 3k9j n HIS 612 N -2.88 0.00 0.16 0.10 -0.00 -0.10 -4.60 115.22 107.90 3k9j n HIS 612 Ca 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.62 3k9j n HIS 612 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.37 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 0.00 0.51 0.00 3.57 2.07 -1.40 -2.04 116.25 118.96 3k9j h VAL 613 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3k9j h VAL 613 Cb 0.00 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3k9j h VAL 613 CO 0.00 0.00 -0.43 -0.26 0.02 0.00 0.00 177.57 176.90 3k9j h PHE 614 N -0.49 0.00 0.29 1.57 0.04 -0.82 -1.49 116.94 116.04 3k9j h PHE 614 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3k9j h PHE 614 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3k9j h PHE 614 CO -0.16 0.43 -0.23 -0.22 -0.60 0.00 0.00 178.31 177.53 3k9j h LYS 615 N 0.00 -0.51 -0.33 1.51 3.64 -1.48 0.31 116.57 119.71 3k9j h LYS 615 Ca -0.00 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 3k9j h LYS 615 Cb 0.82 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3k9j h LYS 615 CO 0.06 -0.34 -0.15 0.45 -2.27 0.00 0.00 179.45 177.19 3k9j h HIS 616 N -0.53 0.65 -0.22 1.91 3.86 -1.23 -2.48 115.15 117.11 3k9j h HIS 616 Ca -0.02 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3k9j h HIS 616 Cb 0.47 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3k9j h HIS 616 CO -0.13 0.72 0.12 1.25 0.86 0.00 0.00 177.93 180.75 3k9j h LEU 617 N 0.54 0.27 -0.87 2.43 5.85 -1.09 -0.98 115.31 121.45 3k9j h LEU 617 Ca 0.09 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3k9j h LEU 617 Cb 0.58 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 3k9j h LEU 617 CO 0.04 0.26 0.51 0.78 -0.34 0.00 0.00 178.44 179.68 3k9j h ASN 618 N 0.25 0.73 -0.67 1.25 2.35 -0.78 0.12 115.58 118.83 3k9j h ASN 618 Ca 0.08 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3k9j h ASN 618 Cb 0.05 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3k9j h ASN 618 CO -0.01 0.41 0.26 0.78 -1.65 0.00 0.00 177.43 177.22 3k9j h ASN 619 N 0.84 0.96 0.28 5.81 2.35 -1.06 -1.29 115.58 123.47 3k9j h ASN 619 Ca 0.42 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 3k9j h ASN 619 Cb 0.39 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3k9j h ASN 619 CO -0.25 0.86 -0.38 0.15 -1.65 0.00 0.00 177.43 176.17 3k9j h PHE 620 N 1.01 0.15 0.00 1.19 3.57 0.18 -2.99 116.94 120.06 3k9j h PHE 620 Ca 0.23 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3k9j h PHE 620 Cb 0.22 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3k9j h PHE 620 CO 0.02 0.50 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.98 3k9j h LEU 621 N 0.12 0.00 -9.27 0.59 3.38 -0.52 -3.46 115.31 106.14 3k9j h LEU 621 Ca 0.01 -0.17 -0.67 0.00 0.09 0.00 0.00 57.88 57.14 3k9j h LEU 621 Cb 0.72 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.51 3k9j h LEU 621 CO 0.05 0.09 0.83 1.67 0.09 0.00 0.00 178.44 181.17 3k9j n GLN 622 N -2.17 1.59 -0.88 1.13 7.27 -0.51 -1.00 117.38 122.81 3k9j n GLN 622 Ca 0.03 0.58 0.00 0.00 0.07 0.00 0.00 57.00 57.68 3k9j n GLN 622 Cb 0.44 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.78 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 3.73 0.71 3.88 1.69 0.00 -1.26 -5.03 105.19 108.91 3k9j n GLY 623 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 3.41 0.05 1.61 1.02 -0.17 -5.10 119.74 120.44 3k9j s LYS 624 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 55.97 55.79 3k9j s LYS 624 Cb 0.00 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3k9j s LYS 624 CO 0.00 0.71 -0.18 1.03 -0.92 0.00 0.00 175.35 175.99 3k9j s ARG 625 N -1.59 1.18 -0.02 1.68 0.52 -1.26 -5.05 118.95 114.41 3k9j s ARG 625 Ca 0.22 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 3k9j s ARG 625 Cb -0.12 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 3k9j s ARG 625 CO 0.13 0.32 -0.14 -0.06 0.02 0.00 0.00 175.30 175.57 3k9j s PHE 626 N -0.85 1.28 -0.19 -0.53 0.40 -1.26 -4.97 117.98 111.86 3k9j s PHE 626 Ca 0.05 -0.26 0.16 0.00 -0.60 0.00 0.00 56.93 56.27 3k9j s PHE 626 Cb -0.09 -0.84 -0.23 0.00 0.51 0.00 0.00 43.02 42.38 3k9j s PHE 626 CO 0.02 -0.04 0.42 0.72 0.70 0.00 0.00 175.22 177.03 3k9j n HIS 627 N 2.83 0.00 -4.53 0.36 8.25 -1.26 0.26 115.22 121.13 3k9j n HIS 627 Ca -0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.99 3k9j n HIS 627 Cb 0.55 -0.27 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 3k9j n HIS 627 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3k9j s ASN 628 N -3.48 4.52 0.28 0.41 0.02 -1.26 -3.61 114.94 111.82 3k9j s ASN 628 Ca -0.03 -0.15 0.02 0.00 -1.02 0.00 0.00 52.86 51.68 3k9j s ASN 628 Cb 0.10 -1.04 0.60 0.00 0.02 0.00 0.00 41.25 40.93 3k9j s ASN 628 CO 0.65 0.30 1.81 -0.61 0.02 0.00 0.00 177.10 179.26 3k9j h GLN 629 N 4.70 0.85 -0.68 -0.60 4.15 -1.95 -1.80 115.11 119.76 3k9j h GLN 629 Ca -0.48 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 58.84 3k9j h GLN 629 Cb 1.17 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 3k9j h GLN 629 CO 0.53 0.56 0.22 0.37 -1.93 0.00 0.00 178.83 178.58 3k9j h GLN 630 N 0.87 1.04 -0.37 1.69 5.75 -1.99 -1.67 115.11 120.43 3k9j h GLN 630 Ca 0.52 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.77 3k9j h GLN 630 Cb 0.63 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 3k9j h GLN 630 CO -0.31 0.88 0.09 -0.44 -2.65 0.00 0.00 178.83 176.40 3k9j h ASP 631 N 1.01 0.57 -0.82 -0.69 3.45 -1.76 -0.93 116.42 117.24 3k9j h ASP 631 Ca 0.22 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 3k9j h ASP 631 Cb 0.27 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 3k9j h ASP 631 CO -0.01 0.65 0.42 0.00 -1.57 0.00 0.00 179.24 178.73 3k9j h ALA 632 N 0.93 1.05 -0.52 3.45 0.00 -1.17 -1.95 119.26 121.06 3k9j h ALA 632 Ca 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3k9j h ALA 632 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k9j h ALA 632 CO 0.00 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.67 3k9j h GLU 633 N 1.15 0.99 -0.03 0.00 5.08 -1.16 -2.51 114.58 118.11 3k9j h GLU 633 Ca 0.28 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3k9j h GLU 633 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3k9j h GLU 633 CO -0.04 1.05 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.99 3k9j h ASN 634 N 0.86 0.03 -0.07 1.42 2.35 -0.92 -0.44 115.58 118.81 3k9j h ASN 634 Ca 0.13 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3k9j h ASN 634 Cb 0.67 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3k9j h ASN 634 CO 0.05 0.16 -0.28 0.00 -1.65 0.00 0.00 177.43 175.71 3k9j h ALA 635 N 1.84 0.13 -0.15 -0.83 0.00 -1.11 -1.00 119.26 118.15 3k9j h ALA 635 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3k9j h ALA 635 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3k9j h ALA 635 CO 0.02 0.15 -0.05 0.35 0.00 0.00 0.00 179.25 179.71 3k9j h PHE 636 N -0.17 -0.12 -0.14 0.00 3.57 -1.16 -1.40 116.94 117.51 3k9j h PHE 636 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3k9j h PHE 636 Cb 0.91 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 3k9j h PHE 636 CO 0.13 -0.09 -0.08 0.37 -2.23 0.00 0.00 178.31 176.40 3k9j h GLN 637 N -0.03 -0.07 -0.20 1.11 4.15 -1.11 -1.28 115.11 117.68 3k9j h GLN 637 Ca 0.08 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.56 3k9j h GLN 637 Cb 0.14 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.78 3k9j h GLN 637 CO -0.17 -0.05 -0.32 1.49 -1.93 0.00 0.00 178.83 177.85 3k9j h GLU 638 N -0.08 -0.34 0.27 1.69 4.81 -0.80 -1.18 114.58 118.95 3k9j h GLU 638 Ca 0.08 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3k9j h GLU 638 Cb 0.20 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3k9j h GLU 638 CO -0.19 -0.23 -0.43 0.35 -0.73 0.00 0.00 179.01 177.78 3k9j h PHE 639 N -0.36 -1.22 0.00 0.92 3.57 -0.83 -2.12 116.94 116.90 3k9j h PHE 639 Ca 0.11 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3k9j h PHE 639 Cb 0.54 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3k9j h PHE 639 CO -0.44 -0.53 -0.40 -0.39 -2.23 0.00 0.00 178.31 174.32 3k9j h VAL 640 N -0.74 1.20 0.00 1.41 -1.51 -1.08 -2.56 116.25 112.97 3k9j h VAL 640 Ca -0.03 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 3k9j h VAL 640 Cb 0.68 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3k9j h VAL 640 CO -0.14 0.39 -0.45 -0.62 -1.23 0.00 0.00 177.57 175.53 3k9j n GLU 641 N -3.94 0.25 0.03 5.19 1.02 -0.46 -3.59 120.64 119.15 3k9j n GLU 641 Ca -0.02 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3k9j n GLU 641 Cb 0.45 -1.69 0.10 0.00 -0.02 0.00 0.00 31.44 30.28 3k9j n GLU 641 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k9j n SER 642 N -2.06 0.63 -4.78 1.62 3.41 -0.80 -4.93 113.62 106.71 3k9j n SER 642 Ca 0.04 -0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 3k9j n SER 642 Cb 0.42 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 3k9j n SER 642 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k9j s GLN 643 N -3.15 3.64 0.71 4.33 -1.52 -1.17 -5.03 119.66 117.45 3k9j s GLN 643 Ca 0.06 1.53 -0.11 0.00 -1.95 0.00 0.00 55.36 54.89 3k9j s GLN 643 Cb 0.15 -2.13 0.01 0.00 -0.22 0.00 0.00 33.01 30.82 3k9j s GLN 643 CO 0.76 -0.60 1.06 -1.54 -0.25 0.00 0.00 175.29 174.73 3k9j s SER 644 N -1.79 5.26 0.49 5.90 1.04 -1.26 -4.93 113.70 118.42 3k9j s SER 644 Ca 0.68 1.63 0.14 0.00 0.48 0.00 0.00 55.95 58.88 3k9j s SER 644 Cb -0.21 -2.48 1.17 0.00 0.10 0.00 0.00 66.02 64.59 3k9j s SER 644 CO 0.25 -1.52 2.12 0.71 0.98 0.00 0.00 173.24 175.78 3k9j h THR 645 N -0.77 1.02 -0.03 2.02 1.35 -1.96 -2.13 112.91 112.41 3k9j h THR 645 Ca -0.44 -0.05 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 3k9j h THR 645 Cb 1.21 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3k9j h THR 645 CO 0.56 0.03 -0.20 -0.78 -0.25 0.00 0.00 175.52 174.88 3k9j h ASP 646 N 0.14 0.04 -0.71 5.36 1.82 -1.91 -1.33 116.42 119.82 3k9j h ASP 646 Ca 0.04 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.62 3k9j h ASP 646 Cb 0.01 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 3k9j h ASP 646 CO -0.01 0.24 0.25 0.15 -1.61 0.00 0.00 179.24 178.26 3k9j h PHE 647 N 0.04 1.13 -0.10 0.28 3.57 -1.75 -0.56 116.94 119.56 3k9j h PHE 647 Ca 0.01 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 3k9j h PHE 647 Cb 0.38 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 38.80 3k9j h PHE 647 CO 0.00 0.89 -0.48 1.88 -2.23 0.00 0.00 178.31 178.36 3k9j h TYR 648 N 1.07 0.68 -0.67 0.41 -1.99 -1.46 -3.12 116.97 111.89 3k9j h TYR 648 Ca 0.24 -0.30 0.10 0.00 2.00 0.00 0.00 58.73 60.77 3k9j h TYR 648 Cb 0.27 -0.10 -0.08 0.00 2.00 0.00 0.00 36.73 38.82 3k9j h TYR 648 CO 0.02 1.07 0.28 2.35 -0.00 0.00 0.00 178.16 181.88 3k9j h TRP 649 N 0.09 0.48 -0.99 4.88 2.91 -1.09 -1.69 115.95 120.54 3k9j h TRP 649 Ca -0.03 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.09 3k9j h TRP 649 Cb 1.13 -0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 29.60 3k9j h TRP 649 CO 0.12 0.13 0.63 1.15 -1.03 0.00 0.00 178.44 179.43 3k9j h THR 650 N 0.47 1.07 -0.60 2.65 2.02 -1.13 0.45 112.91 117.83 3k9j h THR 650 Ca 0.34 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3k9j h THR 650 Cb 0.43 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 3k9j h THR 650 CO -0.32 0.21 0.34 1.23 0.37 0.00 0.00 175.52 177.35 3k9j h GLY 651 N 1.14 0.87 0.57 2.16 0.00 -1.25 -2.21 103.07 104.34 3k9j h GLY 651 Ca 0.43 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3k9j h GLY 651 CO -0.18 0.17 -0.26 -2.22 0.00 0.00 0.00 176.54 174.05 3k9j h ILE 652 N 0.64 1.48 0.00 2.60 1.08 -1.04 -3.28 117.51 118.99 3k9j h ILE 652 Ca 0.26 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 3k9j h ILE 652 Cb 0.12 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 3k9j h ILE 652 CO -0.15 0.49 0.00 -0.55 -0.69 0.00 0.00 178.15 177.25 3k9j h ASN 653 N -0.33 0.00 0.35 1.72 -1.07 -0.86 -0.57 115.58 114.81 3k9j h ASN 653 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 3k9j h ASN 653 Cb 0.94 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.19 3k9j h ASN 653 CO 0.05 0.00 0.00 1.56 0.07 0.00 0.00 177.43 179.11 3k9j h GLN 654 N 0.00 0.00 -0.84 4.14 4.20 -1.46 -3.33 115.11 117.82 3k9j h GLN 654 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 3k9j h GLN 654 Cb 0.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 3k9j h GLN 654 CO 0.00 0.00 0.51 -0.07 -0.67 0.00 0.00 178.83 178.60 3k9j h LEU 655 N 0.00 0.80 -0.64 1.46 3.38 -1.25 -2.58 115.31 116.48 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 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3k9j h LEU 655 CO 0.00 0.50 0.27 0.40 0.09 0.00 0.00 178.44 179.70 3k9j h ILE 656 N 0.92 1.23 -0.50 1.22 2.04 -1.80 0.21 117.51 120.83 3k9j h ILE 656 Ca 0.38 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3k9j h ILE 656 Cb 0.21 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3k9j h ILE 656 CO -0.19 0.28 -0.03 0.77 0.00 0.00 0.00 178.15 178.98 3k9j h SER 657 N 0.89 0.84 -0.22 1.72 4.64 -1.75 -1.37 113.55 118.30 3k9j h SER 657 Ca 0.22 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3k9j h SER 657 Cb 0.17 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3k9j h SER 657 CO -0.02 0.92 -0.38 0.03 -0.87 0.00 0.00 176.83 176.51 3k9j h ARG 658 N 0.80 0.65 -0.67 4.77 3.08 -1.03 -0.97 114.38 121.01 3k9j h ARG 658 Ca 0.15 -0.40 0.06 0.00 0.07 0.00 0.00 59.98 59.85 3k9j h ARG 658 Cb 0.52 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3k9j h ARG 658 CO 0.03 1.02 0.37 -1.49 -1.07 0.00 0.00 179.97 178.83 3k9j h TRP 659 N 0.35 0.68 -0.28 3.04 6.55 -0.52 -1.65 115.95 124.12 3k9j h TRP 659 Ca 0.02 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.79 3k9j h TRP 659 Cb 0.97 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 29.05 3k9j h TRP 659 CO 0.08 0.33 -0.22 0.37 -1.05 0.00 0.00 178.44 177.96 3k9j h GLN 660 N 0.69 0.53 -0.51 0.49 5.75 -1.13 -1.46 115.11 119.47 3k9j h GLN 660 Ca 0.30 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 3k9j h GLN 660 Cb 0.18 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3k9j h GLN 660 CO -0.18 0.72 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.47 3k9j h LYS 661 N 0.47 0.88 -0.48 1.69 1.63 -0.88 -0.44 116.57 119.45 3k9j h LYS 661 Ca 0.07 -0.27 -0.05 0.00 -0.85 0.00 0.00 60.65 59.56 3k9j h LYS 661 Cb 0.64 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3k9j h LYS 661 CO 0.05 0.90 0.12 0.00 -3.45 0.00 0.00 179.45 177.06 3k9j h VAL 663 N 0.65 1.17 -0.12 0.00 2.07 -1.05 0.15 116.25 119.13 3k9j h VAL 663 Ca 0.15 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3k9j h VAL 663 Cb 0.33 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3k9j h VAL 663 CO 0.00 0.18 0.09 0.44 0.02 0.00 0.00 177.57 178.31 3k9j h ASP 664 N 0.43 0.00 -0.57 0.57 3.32 -0.76 -0.70 116.42 118.71 3k9j h ASP 664 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k9j h ASP 664 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3k9j h ASP 664 CO -0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 3k9j n ASN 666 N 0.84 -5.22 0.00 0.00 3.02 -0.27 -1.74 115.26 111.88 3k9j n ASN 666 Ca 0.24 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3k9j n ASN 666 Cb 0.96 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 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 -1.53 1.55 3.67 7.41 0.00 0.48 -4.67 105.19 112.11 3k9j n GLY 667 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.21 2.08 0.73 1.61 0.01 -0.71 -4.49 113.70 109.72 3k9j s SER 668 Ca 0.00 0.89 -0.14 0.00 1.31 0.00 0.00 55.95 58.01 3k9j s SER 668 Cb 0.00 -1.35 0.04 0.00 0.21 0.00 0.00 66.02 64.92 3k9j s SER 668 CO 0.00 -3.44 1.14 -0.31 0.41 0.00 0.00 173.24 171.04 3k9j s TYR 669 N -3.07 2.32 0.00 2.43 4.12 -1.26 -4.81 117.35 117.08 3k9j s TYR 669 Ca 0.68 1.60 0.00 0.00 0.02 0.00 0.00 57.07 59.36 3k9j s TYR 669 Cb -0.14 -3.26 0.00 0.00 -1.52 0.00 0.00 41.96 37.04 3k9j s TYR 669 CO 0.56 -2.12 0.39 1.97 0.02 0.00 0.00 175.55 176.37 3k9j n PHE 670 N -2.92 0.00 -1.52 2.71 -1.74 -1.26 -5.00 117.46 107.72 3k9j n PHE 670 Ca 0.11 -0.07 0.00 0.00 -0.56 0.00 0.00 57.45 56.93 3k9j n PHE 670 Cb 0.52 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.51 3k9j n PHE 670 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80