#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qay h SER 505 N 0.00 0.00 -2.76 1.67 4.64 -1.90 -3.46 113.55 111.74 1qay h SER 505 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1qay h SER 505 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1qay h SER 505 CO 0.00 0.09 0.93 -0.13 -0.87 0.00 0.00 176.83 176.85 1qay s ARG 506 N -3.18 4.19 -0.48 4.77 0.52 -1.26 -2.45 118.95 121.06 1qay s ARG 506 Ca 0.06 2.43 0.03 0.00 -0.52 0.00 0.00 55.73 57.73 1qay s ARG 506 Cb 0.06 -3.18 0.14 0.00 0.52 0.00 0.00 34.95 32.49 1qay s ARG 506 CO 0.69 -0.66 0.28 -0.51 0.02 0.00 0.00 175.30 175.12 1qay s LEU 507 N 1.32 3.10 0.19 2.53 1.43 -1.26 -4.94 118.68 121.04 1qay s LEU 507 Ca 0.72 -2.85 -0.33 0.00 -1.03 0.00 0.00 54.13 50.64 1qay s LEU 507 Cb -0.45 -1.16 -0.13 0.00 0.03 0.00 0.00 46.19 44.48 1qay s LEU 507 CO 0.32 -0.23 1.60 -2.65 0.23 0.00 0.00 176.35 175.61 1qay n PRO 508 N 3.26 2.32 -2.36 1.29 -0.02 -1.26 -2.17 135.00 136.05 1qay n PRO 508 Ca 0.11 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1qay n PRO 508 Cb 0.35 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 1qay n PRO 508 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qay n ALA 509 N 3.33 -0.73 -0.21 3.55 0.00 -1.26 -4.85 120.51 120.34 1qay n ALA 509 Ca 0.16 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1qay n ALA 509 Cb 0.31 -1.51 0.02 0.00 0.00 0.00 0.00 19.45 18.27 1qay n ALA 509 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1qay h PHE 510 N 0.00 1.03 0.00 0.00 3.57 -1.82 -1.07 116.94 118.64 1qay h PHE 510 Ca -0.30 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1qay h PHE 510 Cb 1.19 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1qay h PHE 510 CO 0.67 0.90 -0.11 0.07 -2.23 0.00 0.00 178.31 177.61 1qay h ARG 511 N 0.87 0.00 0.00 1.11 0.11 -1.89 -2.28 114.38 112.30 1qay h ARG 511 Ca 0.18 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.17 1qay h ARG 511 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1qay h ARG 511 CO 0.01 0.11 -1.16 -0.91 0.10 0.00 0.00 179.97 178.12 1qay h ASN 512 N 0.00 0.00 -4.11 0.08 2.35 -1.83 -3.47 115.58 108.59 1qay h ASN 512 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1qay h ASN 512 Cb 0.37 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.85 1qay h ASN 512 CO 0.01 0.29 0.46 -0.76 -1.65 0.00 0.00 177.43 175.79 1qay s LEU 513 N -5.61 3.61 0.63 1.61 1.02 -0.45 -5.01 118.68 114.48 1qay s LEU 513 Ca -0.01 2.38 -0.13 0.00 0.02 0.00 0.00 54.13 56.38 1qay s LEU 513 Cb 0.09 -4.60 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 1qay s LEU 513 CO 0.80 -1.68 1.04 -0.94 0.02 0.00 0.00 176.35 175.59 1qay s SER 514 N -1.67 5.81 0.20 2.29 1.04 -1.26 -4.80 113.70 115.31 1qay s SER 514 Ca 0.77 1.63 -0.13 0.00 0.48 0.00 0.00 55.95 58.70 1qay s SER 514 Cb -0.30 -2.50 0.24 0.00 0.10 0.00 0.00 66.02 63.56 1qay s SER 514 CO 0.35 -1.15 1.65 -0.65 0.98 0.00 0.00 173.24 174.42 1qay h PRO 515 N -0.10 0.05 -0.71 4.02 0.11 -1.95 0.20 132.00 133.63 1qay h PRO 515 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1qay h PRO 515 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1qay h PRO 515 CO 0.58 0.03 0.24 0.00 -0.21 0.00 0.00 178.00 178.65 1qay h ALA 516 N 1.57 1.09 -0.78 -0.75 0.00 -1.98 0.13 119.26 118.53 1qay h ALA 516 Ca 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qay h ALA 516 Cb 0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1qay h ALA 516 CO -0.56 0.63 0.31 0.00 0.00 0.00 0.00 179.25 179.63 1qay h ALA 517 N 1.22 1.01 -0.13 0.00 0.00 -1.60 -1.26 119.26 118.50 1qay h ALA 517 Ca 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1qay h ALA 517 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qay h ALA 517 CO -0.01 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1qay h ARG 518 N 1.13 0.27 -0.20 0.00 3.08 -0.24 -1.29 114.38 117.13 1qay h ARG 518 Ca 0.26 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1qay h ARG 518 Cb 0.22 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1qay h ARG 518 CO -0.02 0.59 0.08 1.25 -1.07 0.00 0.00 179.97 180.79 1qay h LEU 519 N -0.06 0.24 0.10 3.04 5.85 -0.84 0.90 115.31 124.54 1qay h LEU 519 Ca 0.03 -0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 1qay h LEU 519 Cb 0.50 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 41.50 1qay h LEU 519 CO 0.02 0.23 -1.19 -0.78 -0.34 0.00 0.00 178.44 176.38 1qay h ASP 520 N 0.28 0.86 -0.20 1.25 3.58 -1.18 -1.86 116.42 119.16 1qay h ASP 520 Ca 0.07 -0.82 -0.01 0.00 0.42 0.00 0.00 57.03 56.70 1qay h ASP 520 Cb 0.07 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1qay h ASP 520 CO -0.01 1.59 0.09 -0.74 -2.88 0.00 0.00 179.24 177.29 1qay h HIS 521 N 0.25 0.30 -0.15 0.28 2.76 -0.76 -2.00 115.15 115.83 1qay h HIS 521 Ca -0.18 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 57.93 1qay h HIS 521 Cb 1.86 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.72 1qay h HIS 521 CO 0.12 0.33 -0.12 0.82 -1.30 0.00 0.00 177.93 177.78 1qay h ILE 522 N 0.18 1.17 0.84 6.26 1.08 -0.93 -2.44 117.51 123.67 1qay h ILE 522 Ca 0.07 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1qay h ILE 522 Cb 0.15 1.19 0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1qay h ILE 522 CO -0.01 0.23 -0.41 1.23 -0.69 0.00 0.00 178.15 178.51 1qay h GLY 523 N 0.70 -1.18 2.00 5.37 0.00 -0.70 -2.56 103.07 106.70 1qay h GLY 523 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1qay h GLY 523 CO 0.02 -0.43 0.00 0.06 0.00 0.00 0.00 176.54 176.19 1qay h GLN 524 N -1.22 0.00 0.08 4.80 3.07 -1.44 0.62 115.11 121.02 1qay h GLN 524 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 1qay h GLN 524 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.43 1qay h GLN 524 CO 0.19 0.00 -0.04 1.25 0.09 0.00 0.00 178.83 180.32 1qay h LEU 525 N 0.00 -0.09 0.00 0.06 6.46 -1.43 -3.13 115.31 117.18 1qay h LEU 525 Ca 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1qay h LEU 525 Cb 0.63 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1qay h LEU 525 CO 0.00 0.36 -0.20 0.18 -0.62 0.00 0.00 178.44 178.16 1qay n LEU 526 N -4.93 0.43 -1.34 2.25 4.77 -0.97 -4.94 117.00 112.28 1qay n LEU 526 Ca -0.08 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1qay n LEU 526 Cb 0.24 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1qay n LEU 526 CO 0.32 -0.03 0.01 0.61 -1.33 0.00 0.00 177.39 176.96 1qay n GLY 527 N 1.42 0.23 3.77 -0.72 0.00 0.08 -4.99 105.19 104.98 1qay n GLY 527 Ca 0.06 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1qay n GLY 527 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qay s LEU 528 N -2.91 4.47 0.87 0.99 1.43 0.19 -4.97 118.68 118.75 1qay s LEU 528 Ca 0.12 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 1qay s LEU 528 Cb -0.05 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1qay s LEU 528 CO 0.15 -0.40 1.10 -0.94 0.23 0.00 0.00 176.35 176.49 1qay s SER 529 N -0.63 3.76 0.38 2.29 1.04 -1.26 -4.73 113.70 114.55 1qay s SER 529 Ca 0.47 1.37 0.07 0.00 0.48 0.00 0.00 55.95 58.34 1qay s SER 529 Cb -0.37 -2.06 0.74 0.00 0.10 0.00 0.00 66.02 64.43 1qay s SER 529 CO 0.49 -2.44 1.94 1.12 0.98 0.00 0.00 173.24 175.33 1qay h HIS 530 N -1.41 0.44 -0.24 5.02 2.07 -1.99 -2.06 115.15 116.97 1qay h HIS 530 Ca -0.49 -0.03 0.07 0.00 -2.85 0.00 0.00 60.37 57.07 1qay h HIS 530 Cb 1.28 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 1qay h HIS 530 CO 0.42 0.42 0.18 -0.44 -3.07 0.00 0.00 177.93 175.44 1qay h ASP 531 N 0.43 0.00 0.01 3.10 3.32 -1.99 -0.03 116.42 121.25 1qay h ASP 531 Ca 0.10 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1qay h ASP 531 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qay h ASP 531 CO 0.00 0.00 -0.52 0.44 -1.72 0.00 0.00 179.24 177.44 1qay h ASP 532 N 0.00 0.04 -0.28 6.45 3.32 -1.74 -3.33 116.42 120.88 1qay h ASP 532 Ca 0.11 -0.83 0.02 0.00 0.02 0.00 0.00 57.03 56.36 1qay h ASP 532 Cb 0.47 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1qay h ASP 532 CO -0.00 1.21 0.18 0.58 -1.72 0.00 0.00 179.24 179.50 1qay h VAL 533 N -0.94 1.02 -0.01 -1.35 2.07 -1.20 -1.70 116.25 114.14 1qay h VAL 533 Ca -0.14 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1qay h VAL 533 Cb 1.17 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1qay h VAL 533 CO -0.06 0.05 -0.35 0.28 0.02 0.00 0.00 177.57 177.51 1qay h SER 534 N 0.29 0.02 0.30 0.57 0.02 -1.15 0.30 113.55 113.90 1qay h SER 534 Ca 0.11 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1qay h SER 534 Cb 0.09 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1qay h SER 534 CO -0.02 0.38 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.69 1qay h LEU 535 N 0.02 0.00 0.01 5.07 3.38 -1.41 -2.41 115.31 119.97 1qay h LEU 535 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1qay h LEU 535 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1qay h LEU 535 CO 0.05 0.29 -2.12 0.18 0.09 0.00 0.00 178.44 176.92 1qay n LEU 536 N -4.16 0.87 0.05 1.67 4.77 -0.94 -4.48 117.00 114.78 1qay n LEU 536 Ca -0.02 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1qay n LEU 536 Cb 0.34 0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1qay n LEU 536 CO 0.37 0.54 0.78 0.00 -1.33 0.00 0.00 177.39 177.75 1qay h ALA 537 N 0.81 -0.07 -2.95 -1.18 0.00 -0.36 -3.44 119.26 112.07 1qay h ALA 537 Ca -0.45 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 1qay h ALA 537 Cb 2.11 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.86 1qay h ALA 537 CO 0.04 -0.46 -0.55 -0.80 0.00 0.00 0.00 179.25 177.47 1qay s ASN 538 N -5.28 5.84 0.41 0.00 0.01 -0.91 -5.07 114.94 109.93 1qay s ASN 538 Ca -0.14 0.06 -0.21 0.00 -0.71 0.00 0.00 52.86 51.87 1qay s ASN 538 Cb 0.04 -1.65 -0.11 0.00 0.41 0.00 0.00 41.25 39.95 1qay s ASN 538 CO 0.66 0.14 0.92 0.00 -1.51 0.00 0.00 177.10 177.31 1qay s ALA 539 N -1.52 3.09 0.00 0.60 0.00 -1.26 -4.38 121.76 118.28 1qay s ALA 539 Ca 0.32 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1qay s ALA 539 Cb -0.12 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1qay s ALA 539 CO 0.25 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1qay n GLY 540 N -0.50 1.41 0.26 0.00 0.00 -1.26 -4.98 105.19 100.13 1qay n GLY 540 Ca 0.06 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1qay n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay h ALA 541 N 0.00 1.30 -2.37 4.61 0.00 -1.80 -3.37 119.26 117.63 1qay h ALA 541 Ca 0.00 -0.11 -0.74 0.00 0.00 0.00 0.00 54.91 54.06 1qay h ALA 541 Cb 0.20 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.71 1qay h ALA 541 CO 0.00 0.15 -0.32 -1.17 0.00 0.00 0.00 179.25 177.92 1qay s LEU 542 N -7.33 5.85 0.50 0.00 2.96 -1.26 -4.65 118.68 114.75 1qay s LEU 542 Ca -0.03 -1.74 -0.24 0.00 -0.22 0.00 0.00 54.13 51.90 1qay s LEU 542 Cb 0.13 -2.12 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 1qay s LEU 542 CO 0.59 -0.75 1.38 -0.81 -1.32 0.00 0.00 176.35 175.45 1qay n PRO 543 N 5.10 1.95 0.29 0.98 -0.04 -1.26 -4.77 135.00 137.25 1qay n PRO 543 Ca -0.11 0.70 0.15 0.00 -0.04 0.00 0.00 63.50 64.20 1qay n PRO 543 Cb 0.41 -2.59 0.89 0.00 -0.04 0.00 0.00 33.50 32.17 1qay n PRO 543 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1qay h MET 544 N 1.84 0.00 0.00 0.54 2.86 -1.97 -0.26 114.93 117.93 1qay h MET 544 Ca -0.51 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.04 1qay h MET 544 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1qay h MET 544 CO 0.59 0.04 -0.45 0.38 1.06 0.00 0.00 176.91 178.53 1qay h ASP 545 N 0.00 0.00 0.21 1.22 3.04 -1.98 -1.91 116.42 117.00 1qay h ASP 545 Ca -0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 1qay h ASP 545 Cb 0.10 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.38 1qay h ASP 545 CO 0.00 0.45 -1.85 0.40 -2.04 0.00 0.00 179.24 176.20 1qay h ILE 546 N 0.00 0.79 -0.08 4.15 2.04 -1.56 -3.32 117.51 119.53 1qay h ILE 546 Ca -0.00 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.35 1qay h ILE 546 Cb 1.00 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 1qay h ILE 546 CO 0.06 0.85 -0.12 0.00 0.00 0.00 0.00 178.15 178.94 1qay h ALA 547 N 0.20 1.65 -0.00 1.87 0.00 -1.11 -0.74 119.26 121.13 1qay h ALA 547 Ca -0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1qay h ALA 547 Cb 2.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1qay h ALA 547 CO 0.12 0.26 -0.01 -1.71 0.00 0.00 0.00 179.25 177.91 1qay n ASN 548 N -4.33 0.09 -0.01 0.00 5.15 -0.72 -3.33 115.26 112.12 1qay n ASN 548 Ca -0.02 -0.55 0.10 0.00 -0.60 0.00 0.00 54.58 53.51 1qay n ASN 548 Cb 0.23 -0.14 -0.15 0.00 -0.53 0.00 0.00 39.78 39.19 1qay n ASN 548 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qay n GLY 549 N 1.17 -0.90 0.06 8.20 0.00 -0.30 -4.64 105.19 108.79 1qay n GLY 549 Ca 0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 1qay n GLY 549 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qay h MET 550 N 0.00 0.00 -6.22 1.61 2.86 -1.51 -3.49 114.93 108.19 1qay h MET 550 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 1qay h MET 550 Cb 0.86 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1qay h MET 550 CO 0.00 0.13 -0.35 0.42 1.06 0.00 0.00 176.91 178.18 1qay s ILE 551 N -1.84 2.67 0.05 -1.22 -1.09 -1.24 -5.13 121.20 113.40 1qay s ILE 551 Ca -0.07 -1.28 0.01 0.00 -2.23 0.00 0.00 60.65 57.08 1qay s ILE 551 Cb 0.01 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1qay s ILE 551 CO 0.15 0.00 0.12 -1.61 -1.23 0.00 0.00 174.94 172.37 1qay s GLU 552 N -4.18 3.09 -1.08 2.79 8.01 -1.26 -4.54 118.70 121.52 1qay s GLU 552 Ca 0.49 -0.56 -0.05 0.00 0.01 0.00 0.00 54.97 54.86 1qay s GLU 552 Cb -0.04 -2.86 0.01 0.00 -4.31 0.00 0.00 34.13 26.93 1qay s GLU 552 CO 0.29 0.60 0.68 0.09 0.01 0.00 0.00 175.26 176.93 1qay n ASN 553 N 0.61 -5.13 -4.72 -0.19 4.13 -1.26 -4.97 115.26 103.74 1qay n ASN 553 Ca -0.09 -0.31 -0.42 0.00 1.68 0.00 0.00 54.58 55.44 1qay n ASN 553 Cb 0.52 -3.85 -0.03 0.00 -1.54 0.00 0.00 39.78 34.88 1qay n ASN 553 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qay s VAL 554 N -3.13 3.65 0.00 2.41 1.01 -1.26 -4.90 120.40 118.17 1qay s VAL 554 Ca 0.34 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1qay s VAL 554 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1qay s VAL 554 CO 0.42 0.11 0.16 2.30 0.00 0.00 0.00 175.10 178.08 1qay n ILE 555 N 3.74 0.00 -1.97 2.22 -5.35 -1.26 -5.01 119.36 111.72 1qay n ILE 555 Ca 0.09 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1qay n ILE 555 Cb 0.44 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1qay n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qay n GLY 556 N 0.62 -0.59 3.06 3.28 0.00 -1.26 -5.17 105.19 105.13 1qay n GLY 556 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1qay n GLY 556 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qay s THR 557 N -3.43 0.60 -0.12 2.61 -4.23 -1.26 -5.02 115.64 104.80 1qay s THR 557 Ca 0.00 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1qay s THR 557 Cb 0.00 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 1qay s THR 557 CO 0.00 -0.28 -0.07 0.12 -0.54 0.00 0.00 174.62 173.85 1qay s PHE 558 N -1.17 2.95 0.04 3.99 5.36 -1.26 -5.13 117.98 122.77 1qay s PHE 558 Ca -0.07 -0.23 0.09 0.00 -0.96 0.00 0.00 56.93 55.76 1qay s PHE 558 Cb -0.09 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 1qay s PHE 558 CO 0.01 0.08 -0.26 -1.83 -1.46 0.00 0.00 175.22 171.76 1qay s GLU 559 N -0.10 1.78 0.16 10.12 -1.05 -1.26 -5.14 118.70 123.21 1qay s GLU 559 Ca 0.01 -1.08 0.08 0.00 -0.15 0.00 0.00 54.97 53.83 1qay s GLU 559 Cb -0.13 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.59 1qay s GLU 559 CO 0.03 0.50 -0.16 -0.51 0.95 0.00 0.00 175.26 176.07 1qay s LEU 560 N -1.18 2.44 0.43 1.83 1.43 -1.26 -5.12 118.68 117.25 1qay s LEU 560 Ca 0.11 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 1qay s LEU 560 Cb -0.10 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.31 1qay s LEU 560 CO 0.02 -0.09 1.34 -2.65 0.23 0.00 0.00 176.35 175.21 1qay n PRO 561 N 0.29 2.07 -3.97 1.29 -0.02 -1.25 -4.94 135.00 128.48 1qay n PRO 561 Ca -0.13 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 1qay n PRO 561 Cb 0.57 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 1qay n PRO 561 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1qay s TYR 562 N -1.20 3.64 0.48 6.00 5.04 -1.26 -3.60 117.35 126.45 1qay s TYR 562 Ca 0.61 -2.95 0.08 0.00 -2.44 0.00 0.00 57.07 52.37 1qay s TYR 562 Cb -0.48 -2.96 0.03 0.00 0.35 0.00 0.00 41.96 38.90 1qay s TYR 562 CO 0.58 -0.92 0.57 0.00 -1.34 0.00 0.00 175.55 174.44 1qay s ALA 563 N 0.72 4.47 -0.11 3.97 0.00 0.25 -4.93 121.76 126.12 1qay s ALA 563 Ca 0.12 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.24 1qay s ALA 563 Cb -0.21 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.60 1qay s ALA 563 CO -0.06 -0.45 0.03 0.08 0.00 0.00 0.00 175.76 175.36 1qay s VAL 564 N -2.51 0.27 0.52 0.00 1.01 -1.26 -0.30 120.40 118.12 1qay s VAL 564 Ca 0.53 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1qay s VAL 564 Cb -0.06 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1qay s VAL 564 CO 0.32 0.06 1.03 0.00 0.00 0.00 0.00 175.10 176.51 1qay s ALA 565 N 2.00 2.88 0.48 5.51 0.00 0.86 -4.93 121.76 128.55 1qay s ALA 565 Ca 0.03 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1qay s ALA 565 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1qay s ALA 565 CO -0.06 -0.42 0.01 -1.54 0.00 0.00 0.00 175.76 173.75 1qay s SER 566 N -2.44 4.02 0.00 0.00 1.04 -1.26 -3.41 113.70 111.65 1qay s SER 566 Ca 0.64 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1qay s SER 566 Cb -0.14 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1qay s SER 566 CO 0.27 -0.74 0.00 0.59 0.98 0.00 0.00 173.24 174.34 1qay n ASN 567 N -1.17 0.00 -4.67 7.02 3.02 -1.03 -4.50 115.26 113.93 1qay n ASN 567 Ca -0.15 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 53.93 1qay n ASN 567 Cb 0.67 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1qay n ASN 567 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1qay n PHE 568 N -1.68 2.25 -3.71 3.10 3.01 -1.26 -4.58 117.46 114.58 1qay n PHE 568 Ca 0.00 0.23 -0.26 0.00 1.01 0.00 0.00 57.45 58.43 1qay n PHE 568 Cb 0.00 -2.56 -0.17 0.00 -0.01 0.00 0.00 39.48 36.74 1qay n PHE 568 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1qay s GLN 569 N 1.59 0.50 -0.31 -1.08 0.74 -1.26 -1.84 119.66 117.99 1qay s GLN 569 Ca 0.82 -0.25 -0.09 0.00 0.05 0.00 0.00 55.36 55.89 1qay s GLN 569 Cb -0.70 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 31.56 1qay s GLN 569 CO 0.41 -0.59 0.13 0.42 -0.55 0.00 0.00 175.29 175.11 1qay s ILE 570 N 1.94 4.34 -1.45 -2.34 -1.09 -0.32 -0.51 121.20 121.77 1qay s ILE 570 Ca 0.01 -0.60 -0.09 0.00 -2.23 0.00 0.00 60.65 57.74 1qay s ILE 570 Cb -0.16 -3.26 0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1qay s ILE 570 CO -0.08 0.03 0.90 0.59 -1.23 0.00 0.00 174.94 175.15 1qay n ASN 571 N 4.94 -3.63 0.00 3.58 3.02 -0.12 -2.22 115.26 120.82 1qay n ASN 571 Ca -0.14 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1qay n ASN 571 Cb 0.48 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1qay n ASN 571 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qay n GLY 572 N -1.67 2.23 3.69 7.41 0.00 -1.26 -4.99 105.19 110.59 1qay n GLY 572 Ca -0.08 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1qay n GLY 572 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qay s ARG 573 N 0.00 4.20 0.45 1.61 6.06 -0.94 -4.99 118.95 125.34 1qay s ARG 573 Ca 0.00 2.33 -0.21 0.00 -2.50 0.00 0.00 55.73 55.36 1qay s ARG 573 Cb 0.00 -3.54 -0.10 0.00 0.06 0.00 0.00 34.95 31.37 1qay s ARG 573 CO 0.00 -0.72 0.98 -0.51 -2.50 0.00 0.00 175.30 172.56 1qay s ASP 574 N 2.25 6.70 -0.19 -2.12 1.11 -1.26 -1.18 116.67 121.98 1qay s ASP 574 Ca 0.73 1.77 -0.21 0.00 0.18 0.00 0.00 52.55 55.03 1qay s ASP 574 Cb -0.40 -2.55 0.06 0.00 1.07 0.00 0.00 42.92 41.10 1qay s ASP 574 CO 0.32 -0.53 0.57 0.54 1.18 0.00 0.00 175.17 177.26 1qay s VAL 575 N -2.12 0.00 -0.27 -1.27 0.11 -0.77 -4.91 120.40 111.17 1qay s VAL 575 Ca 0.64 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.50 1qay s VAL 575 Cb -0.12 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1qay s VAL 575 CO 0.16 -0.02 0.40 -0.76 -3.33 0.00 0.00 175.10 171.55 1qay s LEU 576 N 0.05 4.07 -0.33 2.54 1.43 -1.26 -4.26 118.68 120.91 1qay s LEU 576 Ca -0.02 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1qay s LEU 576 Cb -0.04 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1qay s LEU 576 CO 0.02 -0.22 0.32 -0.69 0.23 0.00 0.00 176.35 176.01 1qay s VAL 577 N 2.11 5.21 0.04 -1.59 1.01 -1.22 -4.16 120.40 121.80 1qay s VAL 577 Ca 0.16 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1qay s VAL 577 Cb -0.16 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1qay s VAL 577 CO 0.10 -0.04 0.88 -2.16 0.00 0.00 0.00 175.10 173.88 1qay s PRO 578 N 1.93 4.57 0.08 2.72 0.04 -1.26 -0.10 135.00 142.98 1qay s PRO 578 Ca 0.10 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.47 1qay s PRO 578 Cb -0.17 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1qay s PRO 578 CO 0.11 0.13 -0.17 -0.51 0.04 0.00 0.00 177.00 176.60 1qay s LEU 579 N 0.40 2.28 -0.26 -3.56 1.43 0.59 -4.22 118.68 115.34 1qay s LEU 579 Ca 0.45 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1qay s LEU 579 Cb -0.21 -0.67 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1qay s LEU 579 CO 0.26 -0.01 0.08 -0.69 0.23 0.00 0.00 176.35 176.22 1qay s VAL 580 N -1.19 0.44 0.35 -1.59 1.01 -1.04 -0.59 120.40 117.79 1qay s VAL 580 Ca 0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1qay s VAL 580 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1qay s VAL 580 CO 0.03 -0.51 0.47 1.33 0.00 0.00 0.00 175.10 176.42 1qay n VAL 581 N 5.05 0.00 0.00 2.92 0.24 -1.24 -4.39 118.33 120.91 1qay n VAL 581 Ca -0.06 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.34 1qay n VAL 581 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1qay n VAL 581 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1qay n GLU 582 N -0.59 1.90 -2.92 7.34 0.00 -1.26 -3.81 120.64 121.29 1qay n GLU 582 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.77 1qay n GLU 582 Cb 0.60 -0.83 -0.04 0.00 0.00 0.00 0.00 31.44 31.16 1qay n GLU 582 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1qay s GLU 583 N -1.59 4.40 0.85 3.44 2.12 -1.26 -5.06 118.70 121.60 1qay s GLU 583 Ca 0.00 1.03 -0.12 0.00 0.36 0.00 0.00 54.97 56.24 1qay s GLU 583 Cb 0.00 -3.51 0.10 0.00 0.26 0.00 0.00 34.13 30.99 1qay s GLU 583 CO 0.00 -0.13 1.13 -1.25 -0.54 0.00 0.00 175.26 174.47 1qay s PRO 584 N 1.43 1.63 0.00 4.30 0.04 -1.26 -4.09 135.00 137.05 1qay s PRO 584 Ca 0.40 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1qay s PRO 584 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1qay s PRO 584 CO 0.17 -1.88 0.00 0.43 0.04 0.00 0.00 177.00 175.76 1qay n SER 585 N -3.57 0.00 0.36 6.66 7.64 -1.26 -4.85 113.62 118.59 1qay n SER 585 Ca 0.07 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.76 1qay n SER 585 Cb 0.58 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 1qay n SER 585 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1qay h ILE 586 N 0.00 0.00 0.00 0.44 2.04 -1.96 0.37 117.51 118.40 1qay h ILE 586 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1qay h ILE 586 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1qay h ILE 586 CO 0.00 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.51 1qay h VAL 587 N -1.11 0.96 -0.05 1.67 2.07 -1.89 -1.31 116.25 116.60 1qay h VAL 587 Ca -0.08 -0.80 -0.22 0.00 0.82 0.00 0.00 66.70 66.42 1qay h VAL 587 Cb 0.93 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1qay h VAL 587 CO 0.01 0.21 -0.86 0.00 0.02 0.00 0.00 177.57 176.95 1qay h ALA 588 N 1.78 0.40 0.06 1.67 0.00 -1.89 -3.04 119.26 118.25 1qay h ALA 588 Ca -0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 1qay h ALA 588 Cb 0.44 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qay h ALA 588 CO 0.03 0.76 -0.64 0.00 0.00 0.00 0.00 179.25 179.40 1qay h ALA 589 N 0.73 -0.01 -0.68 0.00 0.00 -0.65 -2.70 119.26 115.96 1qay h ALA 589 Ca -0.06 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.27 1qay h ALA 589 Cb 1.47 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1qay h ALA 589 CO 0.16 0.32 0.45 0.00 0.00 0.00 0.00 179.25 180.17 1qay h ALA 590 N 0.19 1.64 0.08 0.00 0.00 -1.36 -1.31 119.26 118.51 1qay h ALA 590 Ca -0.10 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1qay h ALA 590 Cb 1.42 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1qay h ALA 590 CO 0.12 0.29 -1.13 0.77 0.00 0.00 0.00 179.25 179.29 1qay h SER 591 N 0.79 0.55 -0.07 0.00 0.02 -1.63 -2.80 113.55 110.42 1qay h SER 591 Ca 0.27 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1qay h SER 591 Cb 0.10 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qay h SER 591 CO -0.08 1.35 -0.01 0.22 -1.14 0.00 0.00 176.83 177.18 1qay h TYR 592 N 0.17 0.14 0.00 3.45 3.20 -1.09 -1.85 116.97 120.98 1qay h TYR 592 Ca -0.13 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.66 1qay h TYR 592 Cb 1.82 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1qay h TYR 592 CO 0.07 0.43 -0.29 0.52 -1.64 0.00 0.00 178.16 177.26 1qay h MET 593 N -0.20 0.00 -0.23 1.82 2.86 -1.38 -1.96 114.93 115.84 1qay h MET 593 Ca 0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1qay h MET 593 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1qay h MET 593 CO 0.01 0.29 -0.28 0.00 1.06 0.00 0.00 176.91 177.99 1qay h ALA 594 N 1.71 1.10 -0.27 6.32 0.00 -1.35 -1.66 119.26 125.11 1qay h ALA 594 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1qay h ALA 594 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1qay h ALA 594 CO 0.04 0.56 -0.31 -0.22 0.00 0.00 0.00 179.25 179.32 1qay h LYS 595 N 0.39 0.56 -0.20 0.00 3.64 -0.59 -2.81 116.57 117.56 1qay h LYS 595 Ca 0.05 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1qay h LYS 595 Cb 0.69 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1qay h LYS 595 CO 0.05 0.81 -0.63 -0.07 -2.27 0.00 0.00 179.45 177.33 1qay h LEU 596 N 0.48 0.82 -1.40 5.20 3.38 -1.12 -3.19 115.31 119.48 1qay h LEU 596 Ca 0.06 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1qay h LEU 596 Cb 0.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1qay h LEU 596 CO 0.06 1.25 -0.25 0.00 0.09 0.00 0.00 178.44 179.59 1qay h ALA 597 N 0.76 1.19 -0.51 1.53 0.00 -1.20 -3.16 119.26 117.86 1qay h ALA 597 Ca -0.01 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1qay h ALA 597 Cb 1.23 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1qay h ALA 597 CO 0.13 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.76 1qay h ARG 598 N 0.00 0.19 0.00 0.00 3.08 -1.48 0.35 114.38 116.52 1qay h ARG 598 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1qay h ARG 598 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1qay h ARG 598 CO 0.03 0.13 0.13 0.00 -1.07 0.00 0.00 179.97 179.19 1qay n ALA 599 N -2.58 0.83 -0.95 0.04 0.00 -1.19 -1.84 120.51 114.82 1qay n ALA 599 Ca 0.06 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1qay n ALA 599 Cb 0.26 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.81 1qay n ALA 599 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qay n ASN 600 N -1.86 1.50 0.00 0.00 3.02 -0.58 -4.97 115.26 112.37 1qay n ASN 600 Ca -0.01 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 1qay n ASN 600 Cb 0.14 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1qay n ASN 600 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qay n GLY 601 N -0.72 1.29 7.00 7.41 0.00 -0.77 -4.93 105.19 114.47 1qay n GLY 601 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qay n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 602 N -1.05 2.39 3.33 -0.02 0.00 0.11 -4.43 105.19 105.52 1qay n GLY 602 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1qay n GLY 602 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qay s PHE 603 N 0.00 2.59 -0.33 1.61 0.40 0.33 -4.65 117.98 117.93 1qay s PHE 603 Ca 0.00 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 1qay s PHE 603 Cb 0.00 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1qay s PHE 603 CO 0.00 -0.17 0.17 0.99 0.70 0.00 0.00 175.22 176.91 1qay s THR 604 N -0.09 4.58 0.40 0.64 2.01 -1.04 -0.95 115.64 121.19 1qay s THR 604 Ca -0.04 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.46 1qay s THR 604 Cb -0.14 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 1qay s THR 604 CO 0.04 -0.03 0.05 0.42 -0.69 0.00 0.00 174.62 174.42 1qay s THR 605 N 1.59 2.15 0.13 -0.82 -4.23 -1.26 -0.82 115.64 112.38 1qay s THR 605 Ca 0.04 -1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 58.38 1qay s THR 605 Cb -0.18 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1qay s THR 605 CO 0.06 -0.03 0.78 -0.94 -0.54 0.00 0.00 174.62 173.95 1qay s SER 606 N -3.76 -0.38 0.29 3.99 1.04 -1.08 -4.97 113.70 108.83 1qay s SER 606 Ca 0.37 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 1qay s SER 606 Cb 0.07 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1qay s SER 606 CO 0.19 -0.92 0.52 -0.94 0.98 0.00 0.00 173.24 173.08 1qay s SER 607 N -2.73 0.14 0.37 7.02 1.04 -1.26 -0.10 113.70 118.18 1qay s SER 607 Ca 0.06 -1.07 0.08 0.00 0.48 0.00 0.00 55.95 55.51 1qay s SER 607 Cb -0.02 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1qay s SER 607 CO -0.05 -1.25 0.13 -0.94 0.98 0.00 0.00 173.24 172.11 1qay s SER 608 N -3.07 4.45 0.30 7.02 1.04 -1.03 -5.02 113.70 117.40 1qay s SER 608 Ca 0.23 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.41 1qay s SER 608 Cb -0.01 -0.57 -0.13 0.00 0.10 0.00 0.00 66.02 65.41 1qay s SER 608 CO 0.12 -0.40 1.26 0.00 0.98 0.00 0.00 173.24 175.19 1qay n ALA 609 N -1.15 0.87 -1.60 5.32 0.00 -1.26 -4.77 120.51 117.92 1qay n ALA 609 Ca -0.02 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1qay n ALA 609 Cb 0.63 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 1qay n ALA 609 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qay n PRO 610 N 1.00 0.49 -3.49 0.00 -0.04 -1.26 -4.58 135.00 127.12 1qay n PRO 610 Ca 0.08 -1.84 -0.42 0.00 -0.04 0.00 0.00 63.50 61.27 1qay n PRO 610 Cb 0.34 -3.75 -0.10 0.00 -0.04 0.00 0.00 33.50 29.95 1qay n PRO 610 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qay s LEU 611 N 14.03 5.19 0.27 1.53 1.43 -1.26 -1.15 118.68 138.72 1qay s LEU 611 Ca 0.77 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1qay s LEU 611 Cb -0.02 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1qay s LEU 611 CO 0.19 -0.51 0.25 -0.04 0.23 0.00 0.00 176.35 176.46 1qay s MET 612 N 1.60 2.96 -0.05 1.70 -1.94 -0.34 -3.56 119.30 119.66 1qay s MET 612 Ca 0.04 -1.06 -0.02 0.00 -1.71 0.00 0.00 55.69 52.93 1qay s MET 612 Cb -0.21 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.06 1qay s MET 612 CO 0.07 0.33 0.11 -3.38 -0.01 0.00 0.00 175.02 172.14 1qay s HIS 613 N -2.15 -0.11 0.53 -0.03 -3.43 -1.26 -0.18 115.29 108.65 1qay s HIS 613 Ca 0.35 0.36 -0.05 0.00 -0.80 0.00 0.00 55.06 54.92 1qay s HIS 613 Cb -0.08 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.97 1qay s HIS 613 CO 0.26 -0.12 0.83 0.00 -2.00 0.00 0.00 174.74 173.71 1qay s ALA 614 N 0.86 3.37 -0.11 -1.38 0.00 -0.62 -2.09 121.76 121.79 1qay s ALA 614 Ca -0.07 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1qay s ALA 614 Cb -0.09 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.45 1qay s ALA 614 CO -0.04 -0.53 -0.14 -0.65 0.00 0.00 0.00 175.76 174.39 1qay s GLN 615 N -4.85 2.12 -0.68 0.00 -0.21 0.35 -1.49 119.66 114.91 1qay s GLN 615 Ca 0.50 -0.52 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 1qay s GLN 615 Cb -0.10 -1.84 0.17 0.00 1.00 0.00 0.00 33.01 32.24 1qay s GLN 615 CO 0.45 -0.09 0.49 0.08 -2.12 0.00 0.00 175.29 174.11 1qay s VAL 616 N 1.06 3.54 0.01 1.09 1.01 -0.64 -2.62 120.40 123.86 1qay s VAL 616 Ca -0.05 -3.42 -0.30 0.00 0.00 0.00 0.00 61.98 58.20 1qay s VAL 616 Cb -0.15 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 1qay s VAL 616 CO -0.02 -0.93 1.49 -1.58 0.00 0.00 0.00 175.10 174.06 1qay s GLN 617 N -0.60 4.25 -0.18 2.72 0.74 -0.77 -2.96 119.66 122.86 1qay s GLN 617 Ca 0.20 2.08 0.01 0.00 0.05 0.00 0.00 55.36 57.70 1qay s GLN 617 Cb -0.16 -3.62 0.03 0.00 1.10 0.00 0.00 33.01 30.36 1qay s GLN 617 CO -0.07 -0.65 -0.13 0.42 -0.55 0.00 0.00 175.29 174.31 1qay s ILE 618 N 2.63 1.70 0.56 -2.34 1.01 0.50 0.14 121.20 125.40 1qay s ILE 618 Ca 0.67 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1qay s ILE 618 Cb -0.34 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1qay s ILE 618 CO 0.28 0.34 0.40 0.68 0.00 0.00 0.00 174.94 176.64 1qay s VAL 619 N 1.41 1.50 0.00 2.92 -7.23 -0.93 -0.90 120.40 117.17 1qay s VAL 619 Ca 0.02 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1qay s VAL 619 Cb -0.14 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1qay s VAL 619 CO -0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1qay n GLY 620 N -1.80 1.08 3.74 2.32 0.00 -1.26 -0.16 105.19 109.11 1qay n GLY 620 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1qay n GLY 620 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qay s ILE 621 N -3.67 4.71 -0.19 -0.61 1.01 -1.26 -4.79 121.20 116.40 1qay s ILE 621 Ca 0.00 1.72 0.20 0.00 0.00 0.00 0.00 60.65 62.56 1qay s ILE 621 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1qay s ILE 621 CO 0.00 0.34 0.98 -0.61 0.00 0.00 0.00 174.94 175.65 1qay h GLN 622 N 5.74 0.00 -2.16 2.79 4.15 -1.94 -3.40 115.11 120.29 1qay h GLN 622 Ca -0.43 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.40 1qay h GLN 622 Cb 1.21 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.48 1qay h GLN 622 CO 0.71 0.15 -0.73 -0.40 -1.93 0.00 0.00 178.83 176.63 1qay n ASP 623 N -2.80 2.80 -0.12 -0.69 5.75 -1.26 -4.96 116.55 115.26 1qay n ASP 623 Ca -0.04 -3.24 -0.04 0.00 -0.01 0.00 0.00 54.79 51.46 1qay n ASP 623 Cb 0.68 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 40.14 1qay n ASP 623 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qay h PRO 624 N 4.16 0.13 -0.31 0.11 0.11 -1.94 -0.91 132.00 133.35 1qay h PRO 624 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1qay h PRO 624 Cb 0.72 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1qay h PRO 624 CO 0.74 0.09 0.17 -0.07 -0.21 0.00 0.00 178.00 178.71 1qay h LEU 625 N 0.14 0.39 -0.02 2.35 3.38 -1.95 -1.26 115.31 118.34 1qay h LEU 625 Ca 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1qay h LEU 625 Cb 0.28 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1qay h LEU 625 CO -0.31 0.37 0.00 -1.13 0.09 0.00 0.00 178.44 177.46 1qay h ASN 626 N 0.38 0.02 -0.18 -0.43 -1.24 -1.94 -2.62 115.58 109.58 1qay h ASN 626 Ca 0.11 -0.25 0.05 0.00 0.71 0.00 0.00 56.30 56.92 1qay h ASN 626 Cb 0.07 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1qay h ASN 626 CO -0.02 0.27 0.24 0.00 -1.29 0.00 0.00 177.43 176.63 1qay h ALA 627 N 0.76 1.72 -0.20 1.57 0.00 -1.10 -1.58 119.26 120.43 1qay h ALA 627 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qay h ALA 627 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1qay h ALA 627 CO 0.00 -0.33 0.05 -0.09 0.00 0.00 0.00 179.25 178.88 1qay h ARG 628 N 0.00 0.31 -0.09 0.00 2.43 -0.83 -2.89 114.38 113.33 1qay h ARG 628 Ca 0.08 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1qay h ARG 628 Cb 0.55 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1qay h ARG 628 CO -0.00 0.44 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.57 1qay h LEU 629 N 0.13 0.15 -0.98 3.80 3.38 -1.31 -2.21 115.31 118.27 1qay h LEU 629 Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qay h LEU 629 Cb 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1qay h LEU 629 CO 0.00 0.42 0.55 0.28 0.09 0.00 0.00 178.44 179.77 1qay h SER 630 N 0.14 1.11 -0.07 -0.43 0.02 -1.36 -0.92 113.55 112.02 1qay h SER 630 Ca 0.02 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1qay h SER 630 Cb 0.54 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1qay h SER 630 CO 0.04 0.85 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.37 1qay h LEU 631 N 1.27 0.26 -1.47 5.07 3.38 -1.28 -2.97 115.31 119.56 1qay h LEU 631 Ca 0.33 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qay h LEU 631 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1qay h LEU 631 CO -0.06 0.77 0.29 -0.07 0.09 0.00 0.00 178.44 179.46 1qay h LEU 632 N -0.24 0.57 -0.57 1.67 3.38 -1.23 -1.01 115.31 117.87 1qay h LEU 632 Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1qay h LEU 632 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1qay h LEU 632 CO 0.03 0.44 -0.35 0.08 0.09 0.00 0.00 178.44 178.72 1qay h ARG 633 N 0.66 0.00 -0.42 1.13 0.11 -1.22 -3.07 114.38 111.58 1qay h ARG 633 Ca 0.18 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.06 1qay h ARG 633 Cb -0.03 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 30.93 1qay h ARG 633 CO -0.03 0.35 0.02 0.54 0.10 0.00 0.00 179.97 180.95 1qay n ARG 634 N -3.34 2.08 0.11 0.08 1.74 -0.85 -4.76 116.66 111.72 1qay n ARG 634 Ca 0.01 -3.12 -0.12 0.00 -0.77 0.00 0.00 57.85 53.85 1qay n ARG 634 Cb 0.57 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1qay n ARG 634 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1qay h LYS 635 N 1.15 -0.32 -0.29 5.56 3.64 -1.11 -2.74 116.57 122.46 1qay h LYS 635 Ca 0.24 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 1qay h LYS 635 Cb 1.78 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1qay h LYS 635 CO 0.45 -0.22 0.24 -0.44 -2.27 0.00 0.00 179.45 177.21 1qay h ASP 636 N -0.33 0.00 0.13 4.20 3.32 -1.86 -0.43 116.42 121.45 1qay h ASP 636 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1qay h ASP 636 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1qay h ASP 636 CO -0.08 0.00 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.05 1qay h GLU 637 N 0.00 -0.17 -0.68 3.56 5.08 -1.87 -2.07 114.58 118.43 1qay h GLU 637 Ca 0.14 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1qay h GLU 637 Cb 0.61 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1qay h GLU 637 CO -0.00 0.20 0.45 0.82 -1.00 0.00 0.00 179.01 179.48 1qay h ILE 638 N -0.57 0.97 0.03 3.13 2.04 -1.19 -2.16 117.51 119.76 1qay h ILE 638 Ca -0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1qay h ILE 638 Cb 0.44 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1qay h ILE 638 CO 0.03 0.12 -0.02 0.40 0.00 0.00 0.00 178.15 178.68 1qay h ILE 639 N 0.63 1.30 -0.49 -0.67 2.04 -1.08 -2.86 117.51 116.38 1qay h ILE 639 Ca 0.30 -1.09 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1qay h ILE 639 Cb 0.37 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1qay h ILE 639 CO -0.10 0.28 0.13 -0.33 0.00 0.00 0.00 178.15 178.12 1qay h GLU 640 N -0.53 0.27 -0.99 2.37 5.08 -1.08 -1.76 114.58 117.94 1qay h GLU 640 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1qay h GLU 640 Cb 0.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1qay h GLU 640 CO 0.01 0.18 0.66 1.25 -1.00 0.00 0.00 179.01 180.10 1qay h LEU 641 N 0.28 1.14 -0.16 1.33 5.85 -1.47 -0.71 115.31 121.57 1qay h LEU 641 Ca 0.24 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1qay h LEU 641 Cb 0.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1qay h LEU 641 CO -0.29 0.82 0.08 0.00 -0.34 0.00 0.00 178.44 178.71 1qay h ALA 642 N 1.36 0.20 -0.50 1.25 0.00 -1.13 -3.18 119.26 117.27 1qay h ALA 642 Ca 0.36 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1qay h ALA 642 Cb -0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1qay h ALA 642 CO -0.08 -0.25 -0.10 -0.91 0.00 0.00 0.00 179.25 177.91 1qay h ASN 643 N 0.14 0.95 -0.36 0.00 2.35 -1.13 -2.96 115.58 114.56 1qay h ASN 643 Ca 0.05 -0.35 0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1qay h ASN 643 Cb 0.10 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1qay h ASN 643 CO -0.01 1.08 0.49 0.03 -1.65 0.00 0.00 177.43 177.37 1qay h ARG 644 N 0.80 0.00 0.16 0.81 3.08 -1.11 -1.83 114.38 116.29 1qay h ARG 644 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1qay h ARG 644 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1qay h ARG 644 CO 0.05 0.00 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.65 1qay h LYS 645 N 0.00 -0.21 -3.43 0.04 3.64 -1.54 -3.38 116.57 111.69 1qay h LYS 645 Ca 0.17 0.01 -0.80 0.00 -1.27 0.00 0.00 60.65 58.77 1qay h LYS 645 Cb 1.15 0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 32.74 1qay h LYS 645 CO -0.00 0.16 0.69 -3.47 -2.27 0.00 0.00 179.45 174.56 1qay n ASP 646 N -4.90 5.79 -0.24 4.20 -0.08 -0.69 -4.84 116.55 115.78 1qay n ASP 646 Ca -0.06 -3.16 -0.07 0.00 -1.51 0.00 0.00 54.79 49.98 1qay n ASP 646 Cb 0.23 -1.36 0.04 0.00 2.34 0.00 0.00 41.12 42.37 1qay n ASP 646 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1qay h GLN 647 N 6.24 1.01 -0.48 -0.67 -0.00 -1.75 -2.94 115.11 116.52 1qay h GLN 647 Ca 0.20 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1qay h GLN 647 Cb 0.77 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.48 28.07 1qay h GLN 647 CO 1.17 0.85 0.20 1.25 -0.00 0.00 0.00 178.83 182.29 1qay h LEU 648 N 0.96 0.61 -0.84 0.06 7.12 -1.91 -2.66 115.31 118.65 1qay h LEU 648 Ca 0.22 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1qay h LEU 648 Cb 0.22 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.15 1qay h LEU 648 CO -0.02 0.55 0.48 0.25 -0.13 0.00 0.00 178.44 179.57 1qay h LEU 649 N 0.68 1.02 -1.51 2.25 5.85 -1.91 -1.90 115.31 119.79 1qay h LEU 649 Ca 0.17 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1qay h LEU 649 Cb 0.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1qay h LEU 649 CO -0.02 0.81 -0.25 0.78 -0.34 0.00 0.00 178.44 179.42 1qay h ASN 650 N 1.15 0.00 -0.02 1.25 4.21 -1.52 0.97 115.58 121.63 1qay h ASN 650 Ca 0.30 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.72 1qay h ASN 650 Cb -0.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 1qay h ASN 650 CO -0.05 0.25 -0.25 0.28 -1.29 0.00 0.00 177.43 176.37 1qay h SER 651 N 0.00 0.43 0.19 5.81 0.02 -1.15 -2.55 113.55 116.29 1qay h SER 651 Ca -0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1qay h SER 651 Cb 0.51 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1qay h SER 651 CO 0.03 0.68 -0.11 0.18 -1.14 0.00 0.00 176.83 176.47 1qay n LEU 652 N -4.13 0.86 0.00 5.07 4.32 -0.87 -4.92 117.00 117.33 1qay n LEU 652 Ca -0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1qay n LEU 652 Cb 0.39 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1qay n LEU 652 CO 0.41 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1qay n GLY 653 N 1.24 0.80 0.00 -0.72 0.00 -0.96 -5.06 105.19 100.49 1qay n GLY 653 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qay n GLY 653 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 654 N -2.05 1.55 0.00 -0.02 0.00 0.28 -4.96 105.19 100.00 1qay n GLY 654 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1qay n GLY 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 655 N 5.00 1.96 3.75 -0.02 0.00 0.24 -4.29 105.19 111.82 1qay n GLY 655 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1qay n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay n ARG 657 N 1.09 0.11 -3.47 0.00 5.12 -0.55 -4.86 116.66 114.10 1qay n ARG 657 Ca 0.05 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 1qay n ARG 657 Cb 0.37 -0.96 -0.03 0.00 -1.16 0.00 0.00 32.46 30.68 1qay n ARG 657 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1qay s ASP 658 N -4.77 -0.56 -0.09 0.55 2.15 -1.21 -5.05 116.67 107.70 1qay s ASP 658 Ca -0.06 0.24 0.02 0.00 0.43 0.00 0.00 52.55 53.18 1qay s ASP 658 Cb 0.02 0.53 -0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1qay s ASP 658 CO 0.10 -0.77 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.55 1qay s ILE 659 N -2.73 2.95 -0.25 4.11 1.09 -1.26 -1.40 121.20 123.72 1qay s ILE 659 Ca -0.02 -0.73 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1qay s ILE 659 Cb -0.01 -2.19 0.07 0.00 -1.06 0.00 0.00 42.46 39.28 1qay s ILE 659 CO -0.05 0.56 -0.01 -1.61 -0.10 0.00 0.00 174.94 173.74 1qay s GLU 660 N -0.20 1.33 -0.13 2.79 2.02 -0.37 -4.94 118.70 119.20 1qay s GLU 660 Ca 0.00 -1.03 -0.18 0.00 0.02 0.00 0.00 54.97 53.78 1qay s GLU 660 Cb -0.13 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1qay s GLU 660 CO 0.03 -0.71 0.48 0.08 0.02 0.00 0.00 175.26 175.16 1qay s VAL 661 N 1.44 5.18 0.16 2.63 1.01 -1.26 -0.14 120.40 129.42 1qay s VAL 661 Ca -0.01 0.94 0.10 0.00 0.00 0.00 0.00 61.98 63.02 1qay s VAL 661 Cb -0.18 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1qay s VAL 661 CO -0.10 0.31 -0.23 -1.00 0.00 0.00 0.00 175.10 174.08 1qay s HIS 662 N 0.77 2.11 0.17 5.22 3.76 -0.25 -4.97 115.29 122.09 1qay s HIS 662 Ca 0.25 -0.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.86 1qay s HIS 662 Cb -0.15 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1qay s HIS 662 CO 0.10 0.38 -0.21 0.95 -0.85 0.00 0.00 174.74 175.11 1qay s THR 663 N -1.57 2.02 -0.40 1.30 -4.23 -1.26 -0.94 115.64 110.56 1qay s THR 663 Ca 0.16 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1qay s THR 663 Cb -0.08 -1.92 0.16 0.00 1.34 0.00 0.00 72.50 72.00 1qay s THR 663 CO 0.07 -0.20 0.34 -0.36 -0.54 0.00 0.00 174.62 173.93 1qay s PHE 664 N -1.78 0.79 -1.13 3.99 0.40 -0.80 -4.96 117.98 114.49 1qay s PHE 664 Ca 0.17 -2.02 0.25 0.00 -0.60 0.00 0.00 56.93 54.72 1qay s PHE 664 Cb -0.07 -0.81 1.11 0.00 0.51 0.00 0.00 43.02 43.76 1qay s PHE 664 CO 0.08 -0.86 1.80 0.00 0.70 0.00 0.00 175.22 176.93 1qay n ALA 665 N 3.14 2.16 -0.44 5.36 0.00 -1.26 -1.07 120.51 128.41 1qay n ALA 665 Ca 0.25 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.67 1qay n ALA 665 Cb 0.46 -1.40 0.33 0.00 0.00 0.00 0.00 19.45 18.84 1qay n ALA 665 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qay n ASP 666 N -1.43 4.55 -4.76 0.00 5.75 -1.26 -4.39 116.55 115.01 1qay n ASP 666 Ca 0.08 -2.54 -0.40 0.00 -0.01 0.00 0.00 54.79 51.92 1qay n ASP 666 Cb 0.26 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1qay n ASP 666 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1qay s THR 667 N -2.06 3.21 0.45 2.12 2.01 -1.20 -4.93 115.64 115.23 1qay s THR 667 Ca 0.46 1.21 0.17 0.00 0.31 0.00 0.00 61.69 63.84 1qay s THR 667 Cb 0.31 -3.77 0.35 0.00 0.01 0.00 0.00 72.50 69.41 1qay s THR 667 CO 0.19 0.29 1.96 -0.65 -0.69 0.00 0.00 174.62 175.71 1qay h PRO 668 N 3.63 0.31 -1.53 4.92 0.11 -1.94 -2.37 132.00 135.14 1qay h PRO 668 Ca -0.48 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 64.92 1qay h PRO 668 Cb 1.22 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 1qay h PRO 668 CO 0.66 0.21 0.59 0.54 -0.21 0.00 0.00 178.00 179.80 1qay n ARG 669 N -4.45 2.90 0.00 1.05 1.74 -1.26 -5.05 116.66 111.59 1qay n ARG 669 Ca 0.12 -3.65 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 1qay n ARG 669 Cb 0.49 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1qay n ARG 669 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qay n GLY 670 N -0.66 -1.27 3.76 -0.13 0.00 -0.89 -4.94 105.19 101.07 1qay n GLY 670 Ca 0.54 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1qay n GLY 670 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qay s PRO 671 N -1.48 3.25 0.12 1.61 0.04 -1.26 -3.89 135.00 133.39 1qay s PRO 671 Ca 0.00 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1qay s PRO 671 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1qay s PRO 671 CO 0.00 -0.96 -0.09 -1.64 0.04 0.00 0.00 177.00 174.35 1qay s MET 672 N -3.19 0.94 -0.22 4.56 -1.94 -0.23 -4.42 119.30 114.80 1qay s MET 672 Ca 0.73 -1.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.35 1qay s MET 672 Cb -0.28 -0.45 0.06 0.00 2.01 0.00 0.00 34.83 36.17 1qay s MET 672 CO 0.32 0.04 -0.00 -1.17 -0.01 0.00 0.00 175.02 174.19 1qay s LEU 673 N -2.99 1.85 -0.38 -0.03 2.96 -0.08 -1.91 118.68 118.10 1qay s LEU 673 Ca 0.13 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1qay s LEU 673 Cb 0.03 -0.87 0.08 0.00 0.50 0.00 0.00 46.19 45.93 1qay s LEU 673 CO -0.02 -0.28 0.16 -0.69 -1.32 0.00 0.00 176.35 174.21 1qay s VAL 674 N 1.64 3.53 0.14 1.68 1.01 -0.12 -0.37 120.40 127.92 1qay s VAL 674 Ca -0.03 -1.62 -0.20 0.00 0.00 0.00 0.00 61.98 60.13 1qay s VAL 674 Cb -0.18 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1qay s VAL 674 CO -0.08 -0.45 0.66 0.00 0.00 0.00 0.00 175.10 175.23 1qay s ALA 675 N 1.27 3.51 -0.17 5.51 0.00 -1.16 -1.09 121.76 129.64 1qay s ALA 675 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1qay s ALA 675 Cb -0.22 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1qay s ALA 675 CO -0.01 0.36 -0.09 -1.01 0.00 0.00 0.00 175.76 175.01 1qay s HIS 676 N -1.27 2.89 -0.75 0.00 3.76 0.80 -1.62 115.29 119.10 1qay s HIS 676 Ca 0.35 -0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 1qay s HIS 676 Cb -0.19 -1.97 0.19 0.00 1.11 0.00 0.00 32.58 31.72 1qay s HIS 676 CO 0.21 -0.37 0.71 -0.51 -0.85 0.00 0.00 174.74 173.94 1qay s LEU 677 N 0.87 6.51 -0.96 0.89 1.43 -0.55 -1.23 118.68 125.64 1qay s LEU 677 Ca -0.02 -2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 50.44 1qay s LEU 677 Cb -0.15 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1qay s LEU 677 CO 0.00 -0.68 1.79 -0.63 0.23 0.00 0.00 176.35 177.07 1qay s ILE 678 N 0.70 3.61 -0.16 -0.59 1.01 -0.49 -1.59 121.20 123.69 1qay s ILE 678 Ca 0.15 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1qay s ILE 678 Cb -0.15 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1qay s ILE 678 CO -0.05 -1.27 0.33 -0.69 0.00 0.00 0.00 174.94 173.26 1qay s VAL 679 N 8.48 5.28 -0.74 2.92 1.01 0.74 -1.48 120.40 136.61 1qay s VAL 679 Ca 0.62 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 1qay s VAL 679 Cb -0.04 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1qay s VAL 679 CO -0.03 0.36 1.07 -0.62 0.00 0.00 0.00 175.10 175.89 1qay s ASP 680 N 0.56 6.27 1.08 3.32 -1.08 0.05 -1.20 116.67 125.67 1qay s ASP 680 Ca 0.18 -1.12 -0.16 0.00 -0.52 0.00 0.00 52.55 50.93 1qay s ASP 680 Cb -0.13 -2.45 0.22 0.00 -1.46 0.00 0.00 42.92 39.10 1qay s ASP 680 CO 0.05 -1.44 1.09 1.33 0.52 0.00 0.00 175.17 176.72 1qay n VAL 681 N 5.99 0.00 0.00 1.11 0.24 -0.30 -0.60 118.33 124.78 1qay n VAL 681 Ca 0.05 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 1qay n VAL 681 Cb 0.47 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1qay n VAL 681 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qay n ARG 682 N -3.85 0.00 -0.46 7.34 5.12 -1.26 -4.53 116.66 119.03 1qay n ARG 682 Ca 0.14 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.17 1qay n ARG 682 Cb 0.51 0.00 0.32 0.00 -1.16 0.00 0.00 32.46 32.14 1qay n ARG 682 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1qay n ASP 683 N 0.00 4.21 -4.69 0.55 8.00 -1.26 -4.61 116.55 118.74 1qay n ASP 683 Ca 0.00 -2.20 -0.27 0.00 0.71 0.00 0.00 54.79 53.04 1qay n ASP 683 Cb 0.00 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 1qay n ASP 683 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qay s ALA 684 N -1.37 3.29 0.49 2.24 0.00 -1.26 -0.11 121.76 125.05 1qay s ALA 684 Ca 0.48 -1.31 0.14 0.00 0.00 0.00 0.00 51.96 51.27 1qay s ALA 684 Cb 0.28 -1.09 1.18 0.00 0.00 0.00 0.00 23.12 23.48 1qay s ALA 684 CO 0.28 0.51 2.12 1.98 0.00 0.00 0.00 175.76 180.65 1qay h MET 685 N 2.72 0.13 0.00 0.00 4.05 -1.91 -3.45 114.93 116.47 1qay h MET 685 Ca -0.47 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1qay h MET 685 Cb 1.20 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1qay h MET 685 CO 0.59 0.09 0.00 0.41 0.23 0.00 0.00 176.91 178.23 1qay n GLY 686 N -1.53 0.76 0.14 1.39 0.00 -1.26 -4.86 105.19 99.83 1qay n GLY 686 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1qay n GLY 686 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay h ALA 687 N 0.00 -0.34 -0.40 4.61 0.00 -1.99 0.10 119.26 121.24 1qay h ALA 687 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1qay h ALA 687 Cb 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1qay h ALA 687 CO 0.00 -0.44 -0.31 -0.91 0.00 0.00 0.00 179.25 177.59 1qay h ASN 688 N -0.08 0.93 -0.42 0.00 2.35 -1.98 -1.53 115.58 114.85 1qay h ASN 688 Ca 0.03 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.43 1qay h ASN 688 Cb 0.17 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1qay h ASN 688 CO -0.23 1.16 0.20 0.74 -1.65 0.00 0.00 177.43 177.65 1qay h THR 689 N 0.75 0.96 -0.06 2.81 2.02 -1.93 -2.36 112.91 115.09 1qay h THR 689 Ca 0.08 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1qay h THR 689 Cb 0.87 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1qay h THR 689 CO 0.08 0.07 -0.09 0.58 0.37 0.00 0.00 175.52 176.53 1qay h VAL 690 N 0.41 1.40 -0.89 3.16 2.07 -0.78 -3.18 116.25 118.43 1qay h VAL 690 Ca 0.18 -1.33 0.14 0.00 0.82 0.00 0.00 66.70 66.52 1qay h VAL 690 Cb 0.10 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1qay h VAL 690 CO -0.14 0.37 0.57 0.78 0.02 0.00 0.00 177.57 179.17 1qay h ASN 691 N -0.29 0.66 -0.11 0.57 2.35 -1.20 -1.31 115.58 116.25 1qay h ASN 691 Ca 0.01 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1qay h ASN 691 Cb 0.64 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1qay h ASN 691 CO 0.02 0.34 -0.05 0.74 -1.65 0.00 0.00 177.43 176.83 1qay h THR 692 N 0.70 1.32 -0.42 2.81 2.02 -1.49 -2.65 112.91 115.19 1qay h THR 692 Ca 0.44 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1qay h THR 692 Cb 0.70 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1qay h THR 692 CO -0.20 0.30 0.25 0.24 0.37 0.00 0.00 175.52 176.48 1qay h MET 693 N -0.13 0.56 -0.43 6.66 2.86 -1.39 0.47 114.93 123.52 1qay h MET 693 Ca 0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1qay h MET 693 Cb 0.50 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1qay h MET 693 CO 0.02 0.39 0.07 0.00 1.06 0.00 0.00 176.91 178.44 1qay h ALA 694 N 1.71 0.57 0.00 6.32 0.00 -1.20 -1.95 119.26 124.71 1qay h ALA 694 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qay h ALA 694 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1qay h ALA 694 CO -0.03 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.44 1qay h GLU 695 N 0.57 0.00 0.07 0.00 5.08 -1.05 -2.41 114.58 116.83 1qay h GLU 695 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1qay h GLU 695 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1qay h GLU 695 CO 0.01 0.00 -0.93 0.00 -1.00 0.00 0.00 179.01 177.09 1qay h ALA 696 N 2.23 0.02 0.00 3.43 0.00 -0.53 -3.32 119.26 121.10 1qay h ALA 696 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1qay h ALA 696 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qay h ALA 696 CO 0.00 0.52 -0.55 0.28 0.00 0.00 0.00 179.25 179.51 1qay h VAL 697 N 0.06 0.00 -0.91 0.00 2.07 -1.39 -3.39 116.25 112.69 1qay h VAL 697 Ca -0.14 -0.51 0.25 0.00 0.82 0.00 0.00 66.70 67.12 1qay h VAL 697 Cb 1.64 1.15 -0.16 0.00 -1.52 0.00 0.00 31.29 32.40 1qay h VAL 697 CO 0.18 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.88 1qay h ALA 698 N 2.49 1.16 -0.40 1.67 0.00 -1.53 -1.30 119.26 121.36 1qay h ALA 698 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1qay h ALA 698 Cb 0.76 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1qay h ALA 698 CO 0.00 -0.52 0.10 -1.00 0.00 0.00 0.00 179.25 177.83 1qay h PRO 699 N 0.09 0.63 -0.16 0.00 0.13 -1.81 -2.55 132.00 128.33 1qay h PRO 699 Ca 0.56 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 65.53 1qay h PRO 699 Cb 1.13 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1qay h PRO 699 CO -0.78 0.65 0.06 1.25 -0.23 0.00 0.00 178.00 178.94 1qay h LEU 700 N 0.50 0.22 -1.08 1.56 5.85 -1.55 -1.76 115.31 119.05 1qay h LEU 700 Ca 0.12 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1qay h LEU 700 Cb 0.30 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1qay h LEU 700 CO 0.00 0.34 0.62 0.24 -0.34 0.00 0.00 178.44 179.30 1qay h MET 701 N 0.09 1.16 -0.12 1.25 2.86 -1.45 -1.34 114.93 117.38 1qay h MET 701 Ca 0.05 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1qay h MET 701 Cb 0.20 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1qay h MET 701 CO -0.00 0.76 -0.21 1.49 1.06 0.00 0.00 176.91 180.01 1qay h GLU 702 N 1.19 0.20 -0.14 1.72 4.81 -1.27 -1.61 114.58 119.48 1qay h GLU 702 Ca 0.38 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.33 1qay h GLU 702 Cb 0.02 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1qay h GLU 702 CO -0.12 0.40 -0.80 0.00 -0.73 0.00 0.00 179.01 177.76 1qay h ALA 703 N 1.61 0.31 0.29 2.92 0.00 -0.37 -2.16 119.26 121.87 1qay h ALA 703 Ca 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1qay h ALA 703 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qay h ALA 703 CO 0.03 0.69 -0.14 0.82 0.00 0.00 0.00 179.25 180.65 1qay h ILE 704 N 0.52 0.56 0.00 0.00 2.04 -1.02 -3.33 117.51 116.28 1qay h ILE 704 Ca -0.06 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1qay h ILE 704 Cb 1.43 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1qay h ILE 704 CO 0.16 0.13 -0.05 0.71 0.00 0.00 0.00 178.15 179.10 1qay h THR 705 N -0.92 0.10 -0.12 -0.27 1.35 -1.46 -3.47 112.91 108.12 1qay h THR 705 Ca -0.04 -0.91 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 1qay h THR 705 Cb 0.51 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1qay h THR 705 CO 0.07 0.05 -0.05 0.61 -0.25 0.00 0.00 175.52 175.95 1qay n GLY 706 N 0.64 0.54 0.00 5.82 0.00 -0.81 -4.94 105.19 106.44 1qay n GLY 706 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1qay n GLY 706 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 707 N -1.71 0.87 2.77 -0.02 0.00 -1.23 -4.84 105.19 101.03 1qay n GLY 707 Ca -0.03 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1qay n GLY 707 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qay s GLN 708 N 1.82 0.83 0.28 1.61 0.74 0.78 -4.87 119.66 120.85 1qay s GLN 708 Ca 0.00 -0.96 -0.30 0.00 0.05 0.00 0.00 55.36 54.15 1qay s GLN 708 Cb 0.00 -2.12 -0.12 0.00 1.10 0.00 0.00 33.01 31.87 1qay s GLN 708 CO 0.00 -0.87 1.56 0.28 -0.55 0.00 0.00 175.29 175.71 1qay n VAL 709 N 4.85 0.98 0.00 1.34 0.31 -1.26 -2.18 118.33 122.37 1qay n VAL 709 Ca -0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1qay n VAL 709 Cb 0.43 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1qay n VAL 709 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qay n ARG 710 N 2.17 0.00 -2.76 5.55 5.12 0.12 -4.93 116.66 121.94 1qay n ARG 710 Ca 0.09 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.66 1qay n ARG 710 Cb 0.36 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.59 1qay n ARG 710 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1qay s LEU 711 N 0.00 4.16 -0.41 0.55 1.43 -1.26 -4.90 118.68 118.25 1qay s LEU 711 Ca 0.00 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1qay s LEU 711 Cb 0.00 -4.24 0.19 0.00 0.03 0.00 0.00 46.19 42.17 1qay s LEU 711 CO 0.00 -0.24 0.38 0.54 0.23 0.00 0.00 176.35 177.26 1qay n ARG 712 N 0.02 0.28 -4.20 1.70 3.00 -1.25 -1.85 116.66 114.37 1qay n ARG 712 Ca 0.04 -3.16 -0.13 0.00 -0.01 0.00 0.00 57.85 54.60 1qay n ARG 712 Cb 0.51 -1.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.29 1qay n ARG 712 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1qay s ILE 713 N -0.16 0.91 0.80 0.55 1.10 -1.08 -4.74 121.20 118.59 1qay s ILE 713 Ca 0.33 -1.92 -0.12 0.00 -0.51 0.00 0.00 60.65 58.44 1qay s ILE 713 Cb 0.06 -1.67 0.07 0.00 0.15 0.00 0.00 42.46 41.07 1qay s ILE 713 CO -0.18 -0.77 1.10 -1.48 -2.11 0.00 0.00 174.94 171.51 1qay s LEU 714 N -2.96 2.57 -0.21 8.50 2.34 -1.26 -0.49 118.68 127.17 1qay s LEU 714 Ca 0.12 1.22 -0.04 0.00 0.06 0.00 0.00 54.13 55.49 1qay s LEU 714 Cb 0.03 -3.82 -0.01 0.00 -0.56 0.00 0.00 46.19 41.82 1qay s LEU 714 CO -0.02 -1.94 -0.05 -0.55 -1.06 0.00 0.00 176.35 172.74 1qay s SER 715 N -4.02 4.34 0.38 1.48 0.15 -0.89 -4.82 113.70 110.33 1qay s SER 715 Ca 0.61 -0.36 0.28 0.00 0.70 0.00 0.00 55.95 57.18 1qay s SER 715 Cb -0.14 -1.74 1.09 0.00 -1.71 0.00 0.00 66.02 63.52 1qay s SER 715 CO 0.53 0.01 1.82 0.78 1.20 0.00 0.00 173.24 177.59 1qay h ASN 716 N 7.86 0.00 0.00 5.45 2.35 -1.94 -3.35 115.58 125.95 1qay h ASN 716 Ca -0.39 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.70 1qay h ASN 716 Cb 1.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1qay h ASN 716 CO 0.60 0.00 2.93 -0.11 -1.65 0.00 0.00 177.43 179.20 1qay n LEU 717 N -2.63 6.09 -3.71 1.61 7.94 -1.26 -4.03 117.00 121.01 1qay n LEU 717 Ca 0.02 -3.69 -0.42 0.00 -1.11 0.00 0.00 56.01 50.80 1qay n LEU 717 Cb 0.29 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 42.78 1qay n LEU 717 CO 0.24 0.73 2.42 0.00 -1.11 0.00 0.00 177.39 179.67 1qay n ALA 718 N 6.09 4.51 1.63 1.96 0.00 -1.26 -4.68 120.51 128.78 1qay n ALA 718 Ca 0.54 -3.63 0.09 0.00 0.00 0.00 0.00 53.44 50.44 1qay n ALA 718 Cb 0.36 -3.58 0.55 0.00 0.00 0.00 0.00 19.45 16.77 1qay n ALA 718 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qay n ASP 719 N 6.83 0.00 -0.14 0.00 3.85 -1.26 -2.43 116.55 123.39 1qay n ASP 719 Ca 0.51 -1.05 0.09 0.00 -0.71 0.00 0.00 54.79 53.62 1qay n ASP 719 Cb 0.40 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.10 1qay n ASP 719 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1qay n LEU 720 N -0.85 1.16 -3.28 -2.12 4.77 -1.26 -4.56 117.00 110.85 1qay n LEU 720 Ca 0.14 -0.59 -0.29 0.00 -0.03 0.00 0.00 56.01 55.24 1qay n LEU 720 Cb 0.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1qay n LEU 720 CO 0.10 0.25 0.25 -1.14 -1.33 0.00 0.00 177.39 175.53 1qay n ARG 721 N -0.95 3.10 -2.92 3.23 0.63 -1.02 -4.18 116.66 114.55 1qay n ARG 721 Ca 0.05 -4.75 -0.30 0.00 -0.92 0.00 0.00 57.85 51.93 1qay n ARG 721 Cb 0.31 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.91 1qay n ARG 721 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qay s LEU 722 N -3.00 3.87 -0.03 6.15 1.43 -1.26 -1.04 118.68 124.81 1qay s LEU 722 Ca 0.43 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 1qay s LEU 722 Cb 0.20 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1qay s LEU 722 CO -0.06 -0.36 -0.10 0.00 0.23 0.00 0.00 176.35 176.06 1qay s ALA 723 N -2.31 0.91 0.24 4.21 0.00 -0.80 -2.46 121.76 121.56 1qay s ALA 723 Ca 0.51 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.22 1qay s ALA 723 Cb -0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1qay s ALA 723 CO 0.29 0.15 -0.17 1.03 0.00 0.00 0.00 175.76 177.07 1qay s ARG 724 N 0.16 1.78 -0.22 0.00 0.52 0.86 -2.94 118.95 119.12 1qay s ARG 724 Ca -0.03 -1.56 -0.19 0.00 -0.52 0.00 0.00 55.73 53.43 1qay s ARG 724 Cb -0.09 -1.91 0.06 0.00 0.52 0.00 0.00 34.95 33.53 1qay s ARG 724 CO 0.01 0.37 0.58 0.00 0.02 0.00 0.00 175.30 176.28 1qay s ALA 725 N -2.10 -1.47 0.11 2.13 0.00 -0.66 -2.62 121.76 117.16 1qay s ALA 725 Ca 0.27 1.74 0.05 0.00 0.00 0.00 0.00 51.96 54.02 1qay s ALA 725 Cb -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1qay s ALA 725 CO 0.14 -0.29 -0.13 -0.65 0.00 0.00 0.00 175.76 174.84 1qay s GLN 726 N 0.60 0.96 0.10 0.00 -0.21 0.00 -1.26 119.66 119.85 1qay s GLN 726 Ca -0.02 -1.20 -0.07 0.00 0.02 0.00 0.00 55.36 54.08 1qay s GLN 726 Cb -0.05 -0.78 -0.01 0.00 1.00 0.00 0.00 33.01 33.17 1qay s GLN 726 CO -0.03 0.14 0.16 0.14 -2.12 0.00 0.00 175.29 173.58 1qay s VAL 727 N -2.21 0.13 -0.06 1.09 -7.23 -0.69 -2.51 120.40 108.93 1qay s VAL 727 Ca 0.07 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1qay s VAL 727 Cb -0.04 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.40 1qay s VAL 727 CO 0.02 -0.61 0.11 -0.60 -0.31 0.00 0.00 175.10 173.71 1qay s ARG 728 N -3.91 0.02 -0.22 4.82 3.52 -1.26 -2.64 118.95 119.28 1qay s ARG 728 Ca 0.10 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1qay s ARG 728 Cb 0.05 -0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.21 1qay s ARG 728 CO -0.07 -0.23 -0.10 0.42 -0.81 0.00 0.00 175.30 174.50 1qay s ILE 729 N 1.62 1.81 0.26 4.11 -1.09 0.37 -4.74 121.20 123.53 1qay s ILE 729 Ca -0.03 -1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 56.86 1qay s ILE 729 Cb -0.12 -1.91 -0.10 0.00 -1.58 0.00 0.00 42.46 38.75 1qay s ILE 729 CO -0.05 0.09 1.34 -0.89 -1.23 0.00 0.00 174.94 174.21 1qay s THR 730 N 1.30 2.89 0.34 2.92 2.01 -1.26 -1.87 115.64 121.97 1qay s THR 730 Ca -0.04 0.79 0.08 0.00 0.31 0.00 0.00 61.69 62.83 1qay s THR 730 Cb -0.18 -3.50 0.32 0.00 0.01 0.00 0.00 72.50 69.15 1qay s THR 730 CO -0.07 0.14 1.84 1.55 -0.69 0.00 0.00 174.62 177.39 1qay h PRO 731 N 4.62 0.71 -0.09 4.92 0.13 -1.88 -1.13 132.00 139.27 1qay h PRO 731 Ca -0.46 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1qay h PRO 731 Cb 1.22 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1qay h PRO 731 CO 0.74 0.47 0.07 0.37 -0.23 0.00 0.00 178.00 179.42 1qay h GLN 732 N 0.73 0.00 -0.06 0.86 4.15 -1.91 -1.87 115.11 117.02 1qay h GLN 732 Ca 0.48 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.74 1qay h GLN 732 Cb 0.76 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1qay h GLN 732 CO -0.25 0.00 -0.70 1.96 -1.93 0.00 0.00 178.83 177.92 1qay h GLN 733 N 0.00 0.27 -0.08 1.69 4.20 -1.58 -3.18 115.11 116.43 1qay h GLN 733 Ca 0.05 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1qay h GLN 733 Cb 0.19 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1qay h GLN 733 CO -0.00 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.30 1qay n LEU 734 N -3.81 1.38 -4.62 1.46 4.77 -0.72 -4.89 117.00 110.56 1qay n LEU 734 Ca -0.03 -0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 54.99 1qay n LEU 734 Cb 0.68 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1qay n LEU 734 CO 0.46 0.26 1.45 -0.70 -1.33 0.00 0.00 177.39 177.53 1qay s GLU 735 N -1.90 3.69 0.32 3.23 2.12 -1.08 -4.51 118.70 120.57 1qay s GLU 735 Ca 0.35 1.71 0.03 0.00 0.36 0.00 0.00 54.97 57.42 1qay s GLU 735 Cb 0.19 -4.10 0.06 0.00 0.26 0.00 0.00 34.13 30.54 1qay s GLU 735 CO 0.29 -1.43 0.44 0.25 -0.54 0.00 0.00 175.26 174.28 1qay n THR 736 N 6.63 0.00 -0.09 -1.70 -2.24 0.35 -4.88 114.28 112.35 1qay n THR 736 Ca 0.20 -0.92 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 1qay n THR 736 Cb 0.45 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 1qay n THR 736 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qay h ALA 737 N 0.02 0.36 0.00 6.98 0.00 -2.00 -3.39 119.26 121.23 1qay h ALA 737 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qay h ALA 737 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qay h ALA 737 CO 0.19 0.16 -0.12 0.93 0.00 0.00 0.00 179.25 180.41 1qay h GLU 738 N 0.25 0.00 -6.97 0.00 3.07 -1.98 -3.47 114.58 105.47 1qay h GLU 738 Ca 0.07 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.47 1qay h GLU 738 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1qay h GLU 738 CO 0.02 0.00 0.34 -0.06 -1.40 0.00 0.00 179.01 177.92 1qay s PHE 739 N -1.42 3.49 0.67 4.33 0.40 -1.26 -5.08 117.98 119.11 1qay s PHE 739 Ca -0.04 1.70 -0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1qay s PHE 739 Cb 0.00 -2.89 0.09 0.00 0.51 0.00 0.00 43.02 40.73 1qay s PHE 739 CO 0.05 0.03 0.93 -1.54 0.70 0.00 0.00 175.22 175.39 1qay s SER 740 N -1.89 4.69 0.10 1.36 1.04 -1.26 -0.50 113.70 117.24 1qay s SER 740 Ca 0.56 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 1qay s SER 740 Cb -0.14 -0.47 -0.13 0.00 0.10 0.00 0.00 66.02 65.38 1qay s SER 740 CO 0.19 -1.60 1.72 1.23 0.98 0.00 0.00 173.24 175.75 1qay h GLY 741 N -0.36 -0.11 0.89 7.32 0.00 -1.79 -2.36 103.07 106.66 1qay h GLY 741 Ca -0.40 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1qay h GLY 741 CO 0.47 -0.07 0.59 0.83 0.00 0.00 0.00 176.54 178.37 1qay h GLU 742 N -0.13 1.04 -0.62 4.80 4.39 -1.94 -2.37 114.58 119.74 1qay h GLU 742 Ca 0.01 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1qay h GLU 742 Cb 0.13 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1qay h GLU 742 CO -0.03 0.69 0.21 0.00 -1.16 0.00 0.00 179.01 178.72 1qay h ALA 743 N 1.49 1.21 -0.08 3.43 0.00 -1.87 -2.86 119.26 120.58 1qay h ALA 743 Ca 0.38 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1qay h ALA 743 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1qay h ALA 743 CO -0.13 0.56 -0.81 0.28 0.00 0.00 0.00 179.25 179.15 1qay h VAL 744 N 0.91 1.34 -0.12 0.00 2.07 -0.94 -3.06 116.25 116.45 1qay h VAL 744 Ca 0.21 -2.16 0.01 0.00 0.82 0.00 0.00 66.70 65.58 1qay h VAL 744 Cb 0.23 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1qay h VAL 744 CO -0.01 0.66 0.06 0.40 0.02 0.00 0.00 177.57 178.69 1qay h ILE 745 N 0.36 1.00 -0.78 4.57 1.08 -1.31 -0.10 117.51 122.33 1qay h ILE 745 Ca -0.06 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1qay h ILE 745 Cb 1.42 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 1qay h ILE 745 CO 0.15 0.02 0.46 -0.33 -0.69 0.00 0.00 178.15 177.77 1qay h GLU 746 N 0.13 1.06 -0.41 2.37 4.39 -1.60 -0.94 114.58 119.57 1qay h GLU 746 Ca 0.05 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1qay h GLU 746 Cb 0.01 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1qay h GLU 746 CO -0.03 0.75 0.07 0.78 -1.16 0.00 0.00 179.01 179.42 1qay h GLY 747 N 1.10 0.74 1.33 -3.84 0.00 -1.35 -0.17 103.07 100.88 1qay h GLY 747 Ca 0.28 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1qay h GLY 747 CO -0.05 0.45 0.34 -2.22 0.00 0.00 0.00 176.54 175.07 1qay h ILE 748 N 0.54 1.19 -0.29 2.60 2.04 -0.61 -0.73 117.51 122.25 1qay h ILE 748 Ca 0.13 -0.49 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 1qay h ILE 748 Cb 0.37 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1qay h ILE 748 CO 0.01 0.22 -0.47 -0.07 0.00 0.00 0.00 178.15 177.84 1qay h LEU 749 N 0.89 0.84 -0.59 1.44 3.38 -0.95 -2.31 115.31 118.01 1qay h LEU 749 Ca 0.23 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1qay h LEU 749 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1qay h LEU 749 CO -0.04 1.17 0.10 0.44 0.09 0.00 0.00 178.44 180.20 1qay h ASP 750 N 0.61 0.93 -0.09 -0.43 3.32 -0.58 -1.45 116.42 118.73 1qay h ASP 750 Ca 0.03 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1qay h ASP 750 Cb 1.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1qay h ASP 750 CO 0.10 0.95 -0.01 0.00 -1.72 0.00 0.00 179.24 178.56 1qay h ALA 751 N 1.01 1.64 0.09 3.45 0.00 -1.06 -1.83 119.26 122.55 1qay h ALA 751 Ca 0.18 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1qay h ALA 751 Cb 0.42 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qay h ALA 751 CO 0.01 0.27 -0.72 -0.92 0.00 0.00 0.00 179.25 177.89 1qay h TYR 752 N 0.27 0.56 -0.96 0.00 3.20 -1.20 -3.13 116.97 115.72 1qay h TYR 752 Ca 0.06 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 61.64 1qay h TYR 752 Cb 0.20 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 1qay h TYR 752 CO 0.00 1.24 0.62 0.00 -1.64 0.00 0.00 178.16 178.39 1qay h ALA 753 N 0.17 1.48 -0.29 1.82 0.00 -1.03 -0.57 119.26 120.84 1qay h ALA 753 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qay h ALA 753 Cb 1.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1qay h ALA 753 CO 0.14 0.37 0.18 0.35 0.00 0.00 0.00 179.25 180.29 1qay h PHE 754 N 1.08 0.37 -0.02 0.00 3.57 -1.43 -2.32 116.94 118.19 1qay h PHE 754 Ca 0.42 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.81 1qay h PHE 754 Cb 0.22 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1qay h PHE 754 CO -0.00 0.27 -0.52 0.00 -2.23 0.00 0.00 178.31 175.83 1qay h ALA 755 N 1.08 1.11 0.00 2.41 0.00 -1.35 -0.56 119.26 121.94 1qay h ALA 755 Ca 0.10 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1qay h ALA 755 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qay h ALA 755 CO -0.02 0.65 -0.59 0.00 0.00 0.00 0.00 179.25 179.29 1qay h ALA 756 N 1.44 0.96 0.00 0.00 0.00 -0.86 -3.34 119.26 117.46 1qay h ALA 756 Ca -0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 54.91 53.99 1qay h ALA 756 Cb 0.93 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1qay h ALA 756 CO 0.07 0.74 -2.41 1.55 0.00 0.00 0.00 179.25 179.20 1qay n VAL 757 N -3.74 1.45 -3.87 0.00 3.14 -0.90 -4.73 118.33 109.68 1qay n VAL 757 Ca -0.01 -0.72 -0.35 0.00 -2.96 0.00 0.00 64.34 60.30 1qay n VAL 757 Cb 0.61 -0.96 -0.14 0.00 -1.06 0.00 0.00 33.84 32.30 1qay n VAL 757 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1qay s ASP 758 N -6.03 4.54 0.53 6.55 2.15 -0.22 -5.00 116.67 119.20 1qay s ASP 758 Ca -0.22 -0.52 0.21 0.00 0.43 0.00 0.00 52.55 52.45 1qay s ASP 758 Cb 0.07 -1.77 1.39 0.00 -0.30 0.00 0.00 42.92 42.31 1qay s ASP 758 CO 0.72 -0.07 2.10 -0.65 -0.17 0.00 0.00 175.17 177.09 1qay h PRO 759 N 8.13 0.00 -0.75 4.34 0.11 -1.81 -1.73 132.00 140.29 1qay h PRO 759 Ca -0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1qay h PRO 759 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1qay h PRO 759 CO 0.60 0.00 0.27 1.88 -0.21 0.00 0.00 178.00 180.53 1qay h TYR 760 N 0.00 1.17 0.11 0.65 -1.99 -1.93 -0.74 116.97 114.24 1qay h TYR 760 Ca 0.10 -0.10 -0.26 0.00 2.00 0.00 0.00 58.73 60.46 1qay h TYR 760 Cb 0.40 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.79 1qay h TYR 760 CO 0.00 0.91 -1.21 -0.09 -0.00 0.00 0.00 178.16 177.77 1qay h ARG 761 N 1.11 0.23 -0.81 4.88 9.65 -1.71 -3.29 114.38 124.44 1qay h ARG 761 Ca 0.25 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1qay h ARG 761 Cb 0.26 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 1qay h ARG 761 CO -0.01 1.19 0.47 0.00 2.80 0.00 0.00 179.97 184.41 1qay h ALA 762 N 0.64 1.29 -0.28 2.80 0.00 -1.11 0.15 119.26 122.77 1qay h ALA 762 Ca -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1qay h ALA 762 Cb 1.94 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1qay h ALA 762 CO 0.19 0.59 0.16 0.00 0.00 0.00 0.00 179.25 180.19 1qay h ALA 763 N 1.39 0.34 -0.26 0.00 0.00 -1.20 0.10 119.26 119.62 1qay h ALA 763 Ca 0.29 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1qay h ALA 763 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qay h ALA 763 CO -0.05 -0.22 -0.43 1.15 0.00 0.00 0.00 179.25 179.70 1qay h THR 764 N 0.33 1.30 0.00 0.00 2.02 -1.58 -1.69 112.91 113.29 1qay h THR 764 Ca 0.11 -1.63 0.03 0.00 0.77 0.00 0.00 66.41 65.69 1qay h THR 764 Cb -0.00 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1qay h THR 764 CO -0.05 0.52 -0.21 -0.74 0.37 0.00 0.00 175.52 175.41 1qay h HIS 765 N 0.50 -0.55 -0.06 3.16 2.76 -0.46 -0.64 115.15 119.87 1qay h HIS 765 Ca 0.02 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1qay h HIS 765 Cb 1.03 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1qay h HIS 765 CO 0.08 -0.30 -0.35 -0.91 -1.30 0.00 0.00 177.93 175.16 1qay h ASN 766 N -0.34 0.12 -0.87 3.26 2.35 -0.85 -2.60 115.58 116.65 1qay h ASN 766 Ca 0.06 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1qay h ASN 766 Cb 0.41 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1qay h ASN 766 CO -0.19 0.47 0.46 0.50 -1.65 0.00 0.00 177.43 177.01 1qay h LYS 767 N 0.10 1.23 -0.81 0.81 3.11 -0.56 -1.81 116.57 118.65 1qay h LYS 767 Ca 0.01 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.66 1qay h LYS 767 Cb 0.67 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 31.63 1qay h LYS 767 CO 0.05 0.92 0.37 0.78 -2.81 0.00 0.00 179.45 178.76 1qay h GLY 768 N 1.23 1.26 0.99 5.01 0.00 -0.75 -1.43 103.07 109.38 1qay h GLY 768 Ca 0.30 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1qay h GLY 768 CO -0.04 0.61 0.30 -2.22 0.00 0.00 0.00 176.54 175.18 1qay h ILE 769 N 1.16 1.15 0.00 2.60 2.04 -1.23 -2.33 117.51 120.91 1qay h ILE 769 Ca 0.28 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1qay h ILE 769 Cb 0.15 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1qay h ILE 769 CO -0.03 0.15 -0.25 0.24 0.00 0.00 0.00 178.15 178.26 1qay h MET 770 N 0.65 0.00 -0.06 2.37 2.86 -0.96 -2.46 114.93 117.34 1qay h MET 770 Ca 0.18 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1qay h MET 770 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1qay h MET 770 CO -0.03 0.25 0.09 -0.91 1.06 0.00 0.00 176.91 177.36 1qay h ASN 771 N 0.00 0.00 0.05 1.22 4.21 -0.68 0.12 115.58 120.50 1qay h ASN 771 Ca -0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 1qay h ASN 771 Cb 0.53 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.67 1qay h ASN 771 CO 0.03 0.00 -2.32 0.61 -1.29 0.00 0.00 177.43 174.46 1qay n GLY 772 N -1.28 -0.53 0.10 2.83 0.00 -0.95 -4.43 105.19 100.92 1qay n GLY 772 Ca -0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1qay n GLY 772 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qay h ILE 773 N 0.02 1.46 -0.33 -0.61 2.04 -1.25 -3.34 117.51 115.51 1qay h ILE 773 Ca -0.53 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 63.79 1qay h ILE 773 Cb 1.99 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 40.41 1qay h ILE 773 CO -0.02 0.44 -0.02 0.44 0.00 0.00 0.00 178.15 178.98 1qay h ASP 774 N -0.37 -0.18 -0.91 1.72 5.19 -1.04 -2.49 116.42 118.33 1qay h ASP 774 Ca -0.01 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1qay h ASP 774 Cb 0.80 0.15 -0.07 0.00 0.18 0.00 0.00 39.33 40.40 1qay h ASP 774 CO 0.03 -0.05 0.59 -0.65 -3.12 0.00 0.00 179.24 176.04 1qay h PRO 775 N 0.06 0.87 -0.05 3.56 0.11 -1.77 -0.59 132.00 134.19 1qay h PRO 775 Ca 0.16 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 1qay h PRO 775 Cb 0.22 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1qay h PRO 775 CO -0.29 0.58 -0.45 1.25 -0.21 0.00 0.00 178.00 178.88 1qay h LEU 776 N 0.90 0.13 -0.13 2.35 5.85 -1.59 -2.54 115.31 120.28 1qay h LEU 776 Ca 0.43 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 1qay h LEU 776 Cb 0.43 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1qay h LEU 776 CO -0.19 0.57 -0.43 0.40 -0.34 0.00 0.00 178.44 178.45 1qay h ILE 777 N 0.10 1.36 -0.55 4.05 1.08 -0.76 -2.62 117.51 120.17 1qay h ILE 777 Ca 0.01 -1.73 -0.05 0.00 -0.39 0.00 0.00 64.86 62.69 1qay h ILE 777 Cb 0.84 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.66 1qay h ILE 777 CO 0.06 0.52 0.12 0.58 -0.69 0.00 0.00 178.15 178.75 1qay h VAL 778 N 0.14 1.23 -0.58 1.67 2.07 -1.16 -0.04 116.25 119.58 1qay h VAL 778 Ca -0.02 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1qay h VAL 778 Cb 1.06 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1qay h VAL 778 CO 0.09 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.99 1qay h ALA 779 N 1.31 0.87 0.00 1.67 0.00 -1.48 -2.64 119.26 118.99 1qay h ALA 779 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qay h ALA 779 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qay h ALA 779 CO 0.00 0.66 0.00 0.25 0.00 0.00 0.00 179.25 180.16 1qay n THR 780 N -4.18 0.00 -1.00 0.00 -2.24 -0.99 -4.04 114.28 101.83 1qay n THR 780 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1qay n THR 780 Cb 0.35 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1qay n THR 780 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qay n GLY 781 N 1.16 0.41 3.92 3.38 0.00 -0.93 -4.46 105.19 108.66 1qay n GLY 781 Ca 0.18 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1qay n GLY 781 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qay s ASN 782 N -2.84 6.32 -0.57 1.61 0.01 -0.07 -3.82 114.94 115.57 1qay s ASN 782 Ca 0.00 0.75 -0.27 0.00 -0.71 0.00 0.00 52.86 52.63 1qay s ASN 782 Cb 0.00 -2.17 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 1qay s ASN 782 CO 0.00 -0.42 1.75 -0.62 -1.51 0.00 0.00 177.10 176.30 1qay s ASP 783 N -3.89 5.54 0.46 -1.22 -1.08 -1.26 -4.36 116.67 110.85 1qay s ASP 783 Ca 0.45 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 53.12 1qay s ASP 783 Cb -0.10 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 39.93 1qay s ASP 783 CO 0.39 -2.15 1.94 4.11 0.52 0.00 0.00 175.17 179.97 1qay h TRP 784 N 13.80 0.00 -0.15 -5.34 0.09 -1.93 -3.06 115.95 119.36 1qay h TRP 784 Ca -0.27 0.00 -0.14 0.00 0.09 0.00 0.00 58.89 58.57 1qay h TRP 784 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.38 1qay h TRP 784 CO 1.03 0.22 -0.52 0.00 0.09 0.00 0.00 178.44 179.27 1qay h ARG 785 N 0.00 0.41 -0.56 0.12 3.08 -1.99 -2.21 114.38 113.22 1qay h ARG 785 Ca -0.00 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 1qay h ARG 785 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1qay h ARG 785 CO 0.03 0.83 -0.08 0.00 -1.07 0.00 0.00 179.97 179.67 1qay h ALA 786 N 1.13 0.77 -0.65 0.04 0.00 -1.93 -1.41 119.26 117.20 1qay h ALA 786 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1qay h ALA 786 Cb 1.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1qay h ALA 786 CO 0.09 0.67 0.25 0.28 0.00 0.00 0.00 179.25 180.54 1qay h VAL 787 N 0.93 1.24 -0.41 0.00 2.07 -1.57 -1.80 116.25 116.71 1qay h VAL 787 Ca 0.15 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1qay h VAL 787 Cb 0.66 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1qay h VAL 787 CO 0.05 0.30 0.02 -0.33 0.02 0.00 0.00 177.57 177.62 1qay h GLU 788 N 0.91 0.72 -0.40 1.57 4.39 -1.15 -1.62 114.58 118.99 1qay h GLU 788 Ca 0.21 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1qay h GLU 788 Cb 0.21 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1qay h GLU 788 CO -0.02 0.79 0.09 0.00 -1.16 0.00 0.00 179.01 178.71 1qay h ALA 789 N 0.90 0.53 0.00 3.43 0.00 -1.17 -1.81 119.26 121.14 1qay h ALA 789 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1qay h ALA 789 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qay h ALA 789 CO 0.02 0.21 -0.38 0.78 0.00 0.00 0.00 179.25 179.87 1qay h GLY 790 N 0.50 0.00 0.36 0.00 0.00 -1.34 -2.45 103.07 100.15 1qay h GLY 790 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1qay h GLY 790 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1qay h ALA 791 N 1.62 -0.38 -0.46 3.60 0.00 -1.13 -3.02 119.26 119.48 1qay h ALA 791 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1qay h ALA 791 Cb 0.91 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1qay h ALA 791 CO 0.05 -0.39 -0.04 0.45 0.00 0.00 0.00 179.25 179.31 1qay h HIS 792 N -1.03 0.85 -0.48 0.00 3.86 -1.43 -2.34 115.15 114.58 1qay h HIS 792 Ca -0.04 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1qay h HIS 792 Cb 0.43 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1qay h HIS 792 CO 0.03 0.81 0.04 0.00 0.86 0.00 0.00 177.93 179.66 1qay h ALA 793 N 1.22 1.16 0.00 2.45 0.00 -1.58 -2.33 119.26 120.18 1qay h ALA 793 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1qay h ALA 793 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1qay h ALA 793 CO 0.03 0.55 -0.25 -0.92 0.00 0.00 0.00 179.25 178.66 1qay h TYR 794 N 0.74 0.00 0.00 0.00 3.20 -1.38 -2.97 116.97 116.56 1qay h TYR 794 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1qay h TYR 794 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1qay h TYR 794 CO 0.02 0.25 0.00 0.00 -1.64 0.00 0.00 178.16 176.79 1qay h ALA 795 N 1.75 1.00 -0.44 1.82 0.00 -0.87 -3.17 119.26 119.35 1qay h ALA 795 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1qay h ALA 795 Cb 0.82 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.30 1qay h ALA 795 CO 0.03 0.00 -0.79 0.00 0.00 0.00 0.00 179.25 178.49 1qay h ARG 797 N 1.82 0.00 -0.75 0.00 0.11 -1.53 -3.10 114.38 110.92 1qay h ARG 797 Ca 0.15 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.85 1qay h ARG 797 Cb 1.38 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.23 1qay h ARG 797 CO 0.42 0.00 0.37 -1.13 0.10 0.00 0.00 179.97 179.73 1qay n SER 798 N -2.43 3.41 -0.25 0.08 3.41 -1.26 -4.89 113.62 111.68 1qay n SER 798 Ca 0.03 -3.63 -0.03 0.00 -0.26 0.00 0.00 58.87 54.98 1qay n SER 798 Cb 0.32 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1qay n SER 798 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qay n GLY 799 N -1.05 0.50 3.00 5.00 0.00 -1.17 -4.96 105.19 106.50 1qay n GLY 799 Ca 0.49 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 1qay n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qay s HIS 800 N -1.67 -0.39 -0.47 1.61 5.65 -1.26 -5.10 115.29 113.67 1qay s HIS 800 Ca 0.00 0.91 -0.28 0.00 0.25 0.00 0.00 55.06 55.94 1qay s HIS 800 Cb 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 32.58 31.34 1qay s HIS 800 CO 0.00 -0.33 1.79 -0.47 -0.65 0.00 0.00 174.74 175.08 1qay s TYR 801 N 2.19 1.80 0.00 3.88 5.04 -1.26 -4.23 117.35 124.78 1qay s TYR 801 Ca -0.01 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1qay s TYR 801 Cb -0.12 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1qay s TYR 801 CO -0.08 -2.54 0.00 0.41 -1.34 0.00 0.00 175.55 172.00 1qay n GLY 802 N 5.52 4.28 3.77 8.97 0.00 -0.03 -4.31 105.19 123.38 1qay n GLY 802 Ca 0.21 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 1qay n GLY 802 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qay s SER 803 N -0.89 6.88 0.02 1.61 0.15 -1.25 -4.80 113.70 115.41 1qay s SER 803 Ca 0.00 2.18 0.01 0.00 0.70 0.00 0.00 55.95 58.83 1qay s SER 803 Cb 0.00 -2.60 -0.26 0.00 -1.71 0.00 0.00 66.02 61.45 1qay s SER 803 CO 0.00 -0.42 0.91 -0.07 1.20 0.00 0.00 173.24 174.86 1qay h LEU 804 N 2.96 0.27-10.33 3.45 3.38 -1.92 -3.47 115.31 109.65 1qay h LEU 804 Ca -0.48 -0.38 -0.44 0.00 0.09 0.00 0.00 57.88 56.67 1qay h LEU 804 Cb 1.22 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1qay h LEU 804 CO 0.64 1.31 -0.29 0.42 0.09 0.00 0.00 178.44 180.61 1qay s THR 805 N -2.63 4.04 -0.05 0.22 -4.23 -1.26 -4.06 115.64 107.67 1qay s THR 805 Ca -0.07 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1qay s THR 805 Cb 0.08 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1qay s THR 805 CO 0.84 -0.19 -0.09 0.42 -0.54 0.00 0.00 174.62 175.06 1qay s THR 806 N -2.26 0.85 -0.22 3.99 -4.23 -0.94 -4.96 115.64 107.88 1qay s THR 806 Ca 0.46 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1qay s THR 806 Cb -0.10 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 72.99 1qay s THR 806 CO 0.33 0.28 -0.16 0.26 -0.54 0.00 0.00 174.62 174.79 1qay s TRP 807 N 0.58 2.97 0.31 3.99 0.52 -1.26 -1.67 118.94 124.38 1qay s TRP 807 Ca -0.10 -1.94 0.05 0.00 0.02 0.00 0.00 56.10 54.13 1qay s TRP 807 Cb -0.13 -1.91 -0.06 0.00 -1.15 0.00 0.00 33.47 30.21 1qay s TRP 807 CO 0.02 -0.84 0.01 -1.21 0.02 0.00 0.00 176.95 174.95 1qay s GLU 808 N 1.21 1.61 -0.34 4.98 2.02 0.02 -4.90 118.70 123.31 1qay s GLU 808 Ca -0.01 -1.86 0.03 0.00 0.02 0.00 0.00 54.97 53.14 1qay s GLU 808 Cb -0.16 -1.00 0.10 0.00 0.10 0.00 0.00 34.13 33.17 1qay s GLU 808 CO -0.09 -0.09 0.07 0.21 0.02 0.00 0.00 175.26 175.37 1qay s LYS 809 N -3.82 1.31 0.92 1.61 2.20 -1.26 -0.20 119.74 120.50 1qay s LYS 809 Ca 0.33 -1.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.10 1qay s LYS 809 Cb 0.07 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1qay s LYS 809 CO 0.14 -0.96 0.50 -0.40 -0.36 0.00 0.00 175.35 174.27 1qay n ASP 810 N 4.36 -1.72 0.00 1.43 5.68 -0.63 -4.77 116.55 120.89 1qay n ASP 810 Ca 0.03 0.37 0.01 0.00 -0.50 0.00 0.00 54.79 54.69 1qay n ASP 810 Cb 0.42 -1.24 0.04 0.00 -1.14 0.00 0.00 41.12 39.20 1qay n ASP 810 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qay n ASN 811 N -1.52 0.00 -0.67 -1.12 0.23 -1.26 -0.32 115.26 110.59 1qay n ASN 811 Ca 0.08 -0.29 0.09 0.00 -0.53 0.00 0.00 54.58 53.92 1qay n ASN 811 Cb 0.53 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.30 1qay n ASN 811 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1qay n ASN 812 N -0.63 2.39 0.00 0.53 4.05 -1.26 -4.98 115.26 115.35 1qay n ASN 812 Ca 0.01 -1.69 0.00 0.00 0.45 0.00 0.00 54.58 53.35 1qay n ASN 812 Cb 0.00 0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.05 1qay n ASN 812 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qay n GLY 813 N 0.99 3.22 3.78 8.20 0.00 0.56 -5.04 105.19 116.91 1qay n GLY 813 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1qay n GLY 813 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qay s HIS 814 N -1.99 2.75 -0.32 1.61 3.76 -1.26 -4.75 115.29 115.09 1qay s HIS 814 Ca 0.00 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.27 1qay s HIS 814 Cb 0.00 -3.07 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 1qay s HIS 814 CO 0.00 -1.53 0.46 -1.17 -0.85 0.00 0.00 174.74 171.64 1qay s LEU 815 N -5.10 4.27 -0.16 0.89 2.96 -0.78 -1.61 118.68 119.16 1qay s LEU 815 Ca 0.64 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1qay s LEU 815 Cb -0.18 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1qay s LEU 815 CO 0.45 -0.37 -0.12 0.68 -1.32 0.00 0.00 176.35 175.67 1qay s VAL 816 N 2.24 2.90 0.16 1.68 -7.23 0.71 -0.48 120.40 120.38 1qay s VAL 816 Ca 0.17 -0.69 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 1qay s VAL 816 Cb -0.16 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1qay s VAL 816 CO 0.12 0.50 -0.22 -0.83 -0.31 0.00 0.00 175.10 174.36 1qay s GLY 817 N 0.86 1.50 0.20 2.32 0.00 -1.08 -0.80 107.32 110.33 1qay s GLY 817 Ca -0.04 -1.49 -0.00 0.00 0.00 0.00 0.00 44.72 43.19 1qay s GLY 817 CO -0.00 -1.51 0.10 -0.51 0.00 0.00 0.00 173.10 171.18 1qay s THR 818 N -1.59 0.20 -0.20 0.90 -4.23 -0.67 -1.70 115.64 108.35 1qay s THR 818 Ca 0.15 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1qay s THR 818 Cb -0.08 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1qay s THR 818 CO 0.07 -0.09 0.43 -0.22 -0.54 0.00 0.00 174.62 174.28 1qay s LEU 819 N -3.19 -0.59 -0.06 4.79 2.96 -0.39 -2.20 118.68 120.00 1qay s LEU 819 Ca 0.36 1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 55.27 1qay s LEU 819 Cb 0.07 1.41 0.03 0.00 0.50 0.00 0.00 46.19 48.20 1qay s LEU 819 CO 0.11 -0.23 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.21 1qay s GLU 820 N 2.42 0.58 0.12 1.98 2.12 -1.26 -1.65 118.70 123.01 1qay s GLU 820 Ca -0.03 0.09 -0.25 0.00 0.36 0.00 0.00 54.97 55.14 1qay s GLU 820 Cb -0.11 -0.89 0.08 0.00 0.26 0.00 0.00 34.13 33.46 1qay s GLU 820 CO -0.13 -0.26 0.71 0.00 -0.54 0.00 0.00 175.26 175.04 1qay s MET 821 N 1.76 1.18 0.25 4.30 0.23 -1.15 -4.95 119.30 120.93 1qay s MET 821 Ca 0.02 -0.47 -0.30 0.00 -1.03 0.00 0.00 55.69 53.90 1qay s MET 821 Cb -0.13 0.52 -0.11 0.00 -1.53 0.00 0.00 34.83 33.59 1qay s MET 821 CO -0.04 -0.52 1.54 -2.14 -2.03 0.00 0.00 175.02 171.83 1qay s PRO 822 N -3.55 4.19 -0.47 3.16 0.02 -1.26 -1.90 135.00 135.19 1qay s PRO 822 Ca 0.04 2.44 0.07 0.00 0.02 0.00 0.00 61.00 63.57 1qay s PRO 822 Cb -0.01 -3.08 0.24 0.00 0.02 0.00 0.00 34.50 31.67 1qay s PRO 822 CO -0.09 -0.55 0.57 -0.12 -0.33 0.00 0.00 177.00 176.47 1qay n MET 823 N 2.60 1.20 -2.55 5.54 1.56 -0.20 -4.66 117.12 120.61 1qay n MET 823 Ca 0.09 -3.65 -0.41 0.00 -0.27 0.00 0.00 57.70 53.45 1qay n MET 823 Cb 0.38 -1.56 -0.02 0.00 2.15 0.00 0.00 33.22 34.17 1qay n MET 823 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1qay s PRO 824 N -1.45 3.67 0.13 2.12 0.04 -1.26 -4.87 135.00 133.37 1qay s PRO 824 Ca 0.36 -1.33 0.07 0.00 0.04 0.00 0.00 61.00 60.13 1qay s PRO 824 Cb 0.15 -5.40 -0.04 0.00 0.04 0.00 0.00 34.50 29.25 1qay s PRO 824 CO -0.09 -2.25 -0.15 0.54 0.04 0.00 0.00 177.00 175.08 1qay s VAL 825 N 4.91 1.47 0.09 -0.36 0.11 -1.26 -4.77 120.40 120.59 1qay s VAL 825 Ca 0.49 -1.76 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 1qay s VAL 825 Cb 0.01 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1qay s VAL 825 CO -0.05 -0.38 0.04 0.61 -3.33 0.00 0.00 175.10 171.99 1qay n GLY 826 N 0.49 3.88 0.00 6.54 0.00 -1.26 -4.22 105.19 110.62 1qay n GLY 826 Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1qay n GLY 826 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qay n LEU 827 N 0.00 0.00 -0.89 0.99 4.77 0.85 -4.83 117.00 117.89 1qay n LEU 827 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1qay n LEU 827 Cb 0.14 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 1qay n LEU 827 CO 0.07 0.00 0.68 1.33 -1.33 0.00 0.00 177.39 178.14 1qay n VAL 828 N -0.40 1.14 -0.31 4.08 0.24 -1.19 -4.67 118.33 117.22 1qay n VAL 828 Ca 0.00 -1.07 -0.30 0.00 -2.04 0.00 0.00 64.34 60.93 1qay n VAL 828 Cb 0.03 0.42 0.28 0.00 -1.47 0.00 0.00 33.84 33.10 1qay n VAL 828 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qay n GLY 829 N 0.75 -3.33 0.31 7.63 0.00 -1.26 -4.85 105.19 104.44 1qay n GLY 829 Ca 0.16 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1qay n GLY 829 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qay h GLY 830 N -3.34 -0.80 2.00 -0.02 0.00 -1.96 -3.19 103.07 95.76 1qay h GLY 830 Ca -0.47 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1qay h GLY 830 CO 0.32 -0.29 -0.32 0.00 0.00 0.00 0.00 176.54 176.25 1qay h ALA 831 N -1.52 1.07 -0.48 3.60 0.00 -1.94 -3.05 119.26 116.94 1qay h ALA 831 Ca -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1qay h ALA 831 Cb 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1qay h ALA 831 CO 0.13 0.40 0.10 1.15 0.00 0.00 0.00 179.25 181.03 1qay h THR 832 N 0.00 1.21 0.13 0.00 2.02 -1.66 -2.70 112.91 111.91 1qay h THR 832 Ca -0.00 -0.78 -0.31 0.00 0.77 0.00 0.00 66.41 66.08 1qay h THR 832 Cb 0.78 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1qay h THR 832 CO 0.04 0.29 -1.56 0.11 0.37 0.00 0.00 175.52 174.77 1qay h LYS 833 N 0.71 0.27 0.00 6.66 6.56 -1.53 -3.32 116.57 125.92 1qay h LYS 833 Ca 0.16 -0.46 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 1qay h LYS 833 Cb 0.29 0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1qay h LYS 833 CO 0.00 1.14 -0.06 1.79 -2.06 0.00 0.00 179.45 180.26 1qay h THR 834 N 0.07 0.11 -3.57 -0.16 1.35 -1.53 -3.44 112.91 105.74 1qay h THR 834 Ca -0.25 -1.10 -0.62 0.00 -0.55 0.00 0.00 66.41 63.88 1qay h THR 834 Cb 2.03 2.00 -0.13 0.00 -1.73 0.00 0.00 68.15 70.32 1qay h THR 834 CO 0.17 0.06 0.03 -2.28 -0.25 0.00 0.00 175.52 173.24 1qay s HIS 835 N -3.23 3.24 0.41 4.73 5.65 -1.02 -4.95 115.29 120.12 1qay s HIS 835 Ca 0.06 0.56 0.17 0.00 0.25 0.00 0.00 55.06 56.10 1qay s HIS 835 Cb 0.06 -2.82 1.06 0.00 -1.18 0.00 0.00 32.58 29.70 1qay s HIS 835 CO 0.67 -0.37 1.84 -1.35 -0.65 0.00 0.00 174.74 174.88 1qay h PRO 836 N 8.12 0.42 0.04 2.88 0.11 -1.85 -0.95 132.00 140.77 1qay h PRO 836 Ca -0.28 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.56 1qay h PRO 836 Cb 1.13 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1qay h PRO 836 CO 0.75 0.28 -1.21 -0.07 -0.21 0.00 0.00 178.00 177.53 1qay h LEU 837 N 0.43 0.15 -1.10 2.35 3.38 -1.92 -3.02 115.31 115.58 1qay h LEU 837 Ca 0.49 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.30 1qay h LEU 837 Cb 1.19 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1qay h LEU 837 CO -0.20 1.14 0.61 0.00 0.09 0.00 0.00 178.44 180.08 1qay h ALA 838 N 0.84 1.37 -0.19 1.53 0.00 -1.32 0.14 119.26 121.61 1qay h ALA 838 Ca -0.10 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1qay h ALA 838 Cb 1.88 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1qay h ALA 838 CO 0.15 0.57 -0.53 1.96 0.00 0.00 0.00 179.25 181.40 1qay h GLN 839 N 1.22 0.55 -0.25 0.00 1.08 -1.54 -2.91 115.11 113.27 1qay h GLN 839 Ca 0.35 -0.34 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1qay h GLN 839 Cb -0.09 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1qay h GLN 839 CO -0.09 0.94 -0.36 1.25 -0.95 0.00 0.00 178.83 179.63 1qay h LEU 840 N 0.43 0.58 -0.68 1.46 5.85 -1.18 -2.38 115.31 119.40 1qay h LEU 840 Ca 0.01 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1qay h LEU 840 Cb 1.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1qay h LEU 840 CO 0.10 0.89 0.29 0.28 -0.34 0.00 0.00 178.44 179.66 1qay h SER 841 N 0.47 0.92 -0.12 1.25 0.02 -0.69 -1.40 113.55 114.00 1qay h SER 841 Ca 0.05 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1qay h SER 841 Cb 0.84 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1qay h SER 841 CO 0.07 0.83 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.35 1qay h LEU 842 N 0.96 0.50 -0.53 5.07 3.38 -1.42 -2.21 115.31 121.06 1qay h LEU 842 Ca 0.23 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1qay h LEU 842 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1qay h LEU 842 CO -0.02 0.69 -0.28 -0.09 0.09 0.00 0.00 178.44 178.83 1qay h ARG 843 N 0.46 0.89 -0.45 1.13 2.43 -0.96 -0.82 114.38 117.07 1qay h ARG 843 Ca 0.08 -0.40 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 1qay h ARG 843 Cb 0.57 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1qay h ARG 843 CO 0.04 1.05 -0.23 0.82 -1.51 0.00 0.00 179.97 180.14 1qay h ILE 844 N 0.75 1.27 -0.37 1.20 2.04 -1.14 -3.07 117.51 118.21 1qay h ILE 844 Ca 0.09 -1.38 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 1qay h ILE 844 Cb 0.84 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1qay h ILE 844 CO 0.07 0.47 -0.19 -0.07 0.00 0.00 0.00 178.15 178.44 1qay h LEU 845 N 0.79 0.69 0.00 1.44 3.38 -1.28 -3.39 115.31 116.94 1qay h LEU 845 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1qay h LEU 845 Cb 0.79 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1qay h LEU 845 CO 0.07 0.88 -0.00 0.61 0.09 0.00 0.00 178.44 180.09 1qay n GLY 846 N -0.35 0.45 3.77 0.83 0.00 -0.32 -4.82 105.19 104.74 1qay n GLY 846 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1qay n GLY 846 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qay s VAL 847 N -1.91 2.61 -0.12 1.61 -7.23 -1.23 -4.95 120.40 109.19 1qay s VAL 847 Ca 0.00 0.56 0.09 0.00 -1.81 0.00 0.00 61.98 60.82 1qay s VAL 847 Cb 0.00 -3.34 -0.12 0.00 0.56 0.00 0.00 36.38 33.48 1qay s VAL 847 CO 0.00 0.09 0.24 0.29 -0.31 0.00 0.00 175.10 175.41 1qay n LYS 848 N 0.26 1.37 -4.26 4.82 4.76 -1.26 -4.94 118.16 118.90 1qay n LYS 848 Ca 0.03 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.27 1qay n LYS 848 Cb 0.43 -1.12 -0.10 0.00 -1.84 0.00 0.00 35.03 32.40 1qay n LYS 848 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qay s THR 849 N -2.38 0.68 0.10 -0.18 -4.23 -1.26 -5.06 115.64 103.32 1qay s THR 849 Ca -0.01 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1qay s THR 849 Cb 0.06 -2.25 -0.07 0.00 1.34 0.00 0.00 72.50 71.58 1qay s THR 849 CO 0.36 -0.36 1.45 0.00 -0.54 0.00 0.00 174.62 175.52 1qay h ALA 850 N 2.61 0.44 0.00 3.99 0.00 -1.81 -3.02 119.26 121.46 1qay h ALA 850 Ca -0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1qay h ALA 850 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1qay h ALA 850 CO 0.62 0.41 -0.18 1.96 0.00 0.00 0.00 179.25 182.06 1qay h GLN 851 N 0.45 0.00 -0.56 0.00 1.08 -1.87 0.67 115.11 114.88 1qay h GLN 851 Ca 0.06 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1qay h GLN 851 Cb 0.78 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1qay h GLN 851 CO 0.06 0.18 -0.02 0.00 -0.95 0.00 0.00 178.83 178.10 1qay h ALA 852 N 1.82 0.76 -0.12 3.87 0.00 -1.95 -1.44 119.26 122.18 1qay h ALA 852 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1qay h ALA 852 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qay h ALA 852 CO 0.02 0.61 -0.51 1.25 0.00 0.00 0.00 179.25 180.62 1qay h LEU 853 N 0.89 0.37 -0.53 0.00 5.85 -1.22 -2.97 115.31 117.71 1qay h LEU 853 Ca 0.16 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1qay h LEU 853 Cb 0.57 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1qay h LEU 853 CO 0.03 0.82 0.19 0.00 -0.34 0.00 0.00 178.44 179.14 1qay h ALA 854 N 1.19 0.69 -0.39 1.25 0.00 -0.59 -1.80 119.26 119.61 1qay h ALA 854 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1qay h ALA 854 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1qay h ALA 854 CO 0.09 0.32 0.02 0.93 0.00 0.00 0.00 179.25 180.61 1qay h GLU 855 N 0.72 0.60 -0.13 0.00 5.08 -1.23 -2.74 114.58 116.88 1qay h GLU 855 Ca 0.17 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1qay h GLU 855 Cb 0.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qay h GLU 855 CO -0.01 0.61 -0.67 0.82 -1.00 0.00 0.00 179.01 178.75 1qay h ILE 856 N 0.58 1.34 -0.69 3.13 2.04 -1.34 -2.99 117.51 119.58 1qay h ILE 856 Ca 0.12 -1.99 -0.06 0.00 1.00 0.00 0.00 64.86 63.93 1qay h ILE 856 Cb 0.33 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1qay h ILE 856 CO 0.01 0.61 0.18 0.00 0.00 0.00 0.00 178.15 178.95 1qay h ALA 857 N 0.87 0.91 0.00 1.87 0.00 -1.08 -2.19 119.26 119.64 1qay h ALA 857 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1qay h ALA 857 Cb 1.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qay h ALA 857 CO 0.12 0.61 -0.09 -0.39 0.00 0.00 0.00 179.25 179.51 1qay h VAL 858 N 1.03 0.17 0.01 0.00 -1.51 -1.55 -2.76 116.25 111.64 1qay h VAL 858 Ca 0.22 -1.02 -0.27 0.00 -1.23 0.00 0.00 66.70 64.40 1qay h VAL 858 Cb 0.35 1.89 0.02 0.00 -2.13 0.00 0.00 31.29 31.42 1qay h VAL 858 CO -0.00 0.08 -1.06 0.00 -1.23 0.00 0.00 177.57 175.36 1qay h ALA 859 N 1.91 0.12 -0.46 5.19 0.00 -1.33 -2.07 119.26 122.62 1qay h ALA 859 Ca -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 1qay h ALA 859 Cb 0.88 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1qay h ALA 859 CO 0.01 0.69 -0.06 0.28 0.00 0.00 0.00 179.25 180.17 1qay h VAL 860 N 0.38 1.25 -0.13 0.00 2.07 -1.39 -2.18 116.25 116.26 1qay h VAL 860 Ca -0.14 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1qay h VAL 860 Cb 1.72 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1qay h VAL 860 CO 0.21 0.39 -0.10 1.23 0.02 0.00 0.00 177.57 179.32 1qay h GLY 861 N 0.98 0.32 1.24 2.17 0.00 -1.51 -1.70 103.07 104.57 1qay h GLY 861 Ca 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1qay h GLY 861 CO 0.03 0.28 0.44 -2.00 0.00 0.00 0.00 176.54 175.29 1qay h LEU 862 N -0.08 0.69 -0.15 3.11 5.85 -1.34 -1.16 115.31 122.22 1qay h LEU 862 Ca 0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1qay h LEU 862 Cb 0.60 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1qay h LEU 862 CO 0.03 0.47 -0.07 0.00 -0.34 0.00 0.00 178.44 178.53 1qay h ALA 863 N 1.61 0.22 -0.09 1.25 0.00 -1.33 -2.76 119.26 118.16 1qay h ALA 863 Ca 0.26 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1qay h ALA 863 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1qay h ALA 863 CO -0.07 0.01 -0.03 0.37 0.00 0.00 0.00 179.25 179.53 1qay h GLN 864 N -0.01 -0.01 -0.90 0.00 5.75 -0.83 -1.38 115.11 117.73 1qay h GLN 864 Ca 0.04 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1qay h GLN 864 Cb 0.54 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.03 1qay h GLN 864 CO 0.02 -0.01 0.59 -0.97 -2.65 0.00 0.00 178.83 175.81 1qay h ASN 865 N -0.01 0.89 -0.49 -0.69 -1.24 -1.28 0.20 115.58 112.96 1qay h ASN 865 Ca 0.05 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1qay h ASN 865 Cb 0.08 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1qay h ASN 865 CO -0.10 0.56 0.13 0.25 -1.29 0.00 0.00 177.43 176.98 1qay h LEU 866 N 1.00 0.74 -0.51 0.34 5.85 -1.12 -1.94 115.31 119.68 1qay h LEU 866 Ca 0.39 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 1qay h LEU 866 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1qay h LEU 866 CO -0.15 0.77 -0.20 1.23 -0.34 0.00 0.00 178.44 179.75 1qay h GLY 867 N 0.67 1.10 0.97 3.75 0.00 -0.42 -0.85 103.07 108.30 1qay h GLY 867 Ca 0.16 -0.96 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1qay h GLY 867 CO -0.00 0.87 0.24 0.00 0.00 0.00 0.00 176.54 177.65 1qay h ALA 868 N 0.89 0.55 -0.13 3.60 0.00 -0.88 -2.71 119.26 120.58 1qay h ALA 868 Ca 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1qay h ALA 868 Cb 0.78 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1qay h ALA 868 CO 0.06 0.07 -0.72 0.52 0.00 0.00 0.00 179.25 179.19 1qay h MET 869 N 0.57 0.61 -0.41 0.00 2.07 -1.33 -2.78 114.93 113.65 1qay h MET 869 Ca 0.15 -0.48 0.05 0.00 -2.07 0.00 0.00 59.70 57.35 1qay h MET 869 Cb 0.04 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.82 1qay h MET 869 CO -0.03 1.10 0.17 -0.09 1.07 0.00 0.00 176.91 179.13 1qay h ARG 870 N 0.43 0.33 -0.01 1.72 2.43 -1.07 -0.88 114.38 117.33 1qay h ARG 870 Ca -0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1qay h ARG 870 Cb 1.31 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1qay h ARG 870 CO 0.14 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 1qay h ALA 871 N 1.25 0.01 -0.57 2.80 0.00 -1.54 0.29 119.26 121.51 1qay h ALA 871 Ca 0.19 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1qay h ALA 871 Cb 0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1qay h ALA 871 CO -0.17 -0.37 0.39 -0.07 0.00 0.00 0.00 179.25 179.03 1qay h LEU 872 N -0.22 0.30 0.00 0.00 3.38 -1.26 -2.14 115.31 115.37 1qay h LEU 872 Ca 0.00 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1qay h LEU 872 Cb 0.24 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1qay h LEU 872 CO 0.00 0.18 -1.74 0.00 0.09 0.00 0.00 178.44 176.97 1qay n ALA 873 N -2.54 1.59 0.06 1.53 0.00 -0.36 -4.60 120.51 116.20 1qay n ALA 873 Ca 0.10 -0.79 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1qay n ALA 873 Cb 0.40 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 1qay n ALA 873 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qay h THR 874 N 0.00 0.00 -1.76 0.00 2.02 0.20 -3.40 112.91 109.97 1qay h THR 874 Ca -0.29 -0.06 -0.59 0.00 0.77 0.00 0.00 66.41 66.24 1qay h THR 874 Cb 1.96 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.26 1qay h THR 874 CO 0.07 0.00 1.23 -0.70 0.37 0.00 0.00 175.52 176.49 1qay s GLU 875 N -2.67 3.41 0.00 6.66 -6.30 -0.90 -4.90 118.70 113.99 1qay s GLU 875 Ca -0.02 -0.81 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 1qay s GLU 875 Cb 0.00 -4.82 0.00 0.00 0.00 0.00 0.00 34.13 29.32 1qay s GLU 875 CO 0.07 -2.13 0.00 0.41 0.02 0.00 0.00 175.26 173.62 1qay n GLY 876 N 6.13 0.94 0.00 -1.50 0.00 -1.26 -4.91 105.19 104.59 1qay n GLY 876 Ca 0.19 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.76 1qay n GLY 876 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71