#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 503 N 0.00 4.11 0.62 0.99 1.43 -1.26 -5.05 118.68 119.52 1qpq s LEU 503 Ca 0.00 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1qpq s LEU 503 Cb 0.00 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 42.03 1qpq s LEU 503 CO 0.00 -0.39 0.86 -0.94 0.23 0.00 0.00 176.35 176.11 1qpq s SER 504 N -1.77 4.90 0.19 2.29 1.04 -1.26 -4.81 113.70 114.29 1qpq s SER 504 Ca 0.58 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 1qpq s SER 504 Cb -0.18 -0.45 0.18 0.00 0.10 0.00 0.00 66.02 65.67 1qpq s SER 504 CO 0.22 -1.44 1.77 0.44 0.98 0.00 0.00 173.24 175.22 1qpq h ASP 505 N -0.15 0.33 -0.34 7.02 3.32 -1.98 0.72 116.42 125.33 1qpq h ASP 505 Ca -0.39 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1qpq h ASP 505 Cb 1.28 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1qpq h ASP 505 CO 0.47 0.22 -0.43 -0.25 -1.72 0.00 0.00 179.24 177.54 1qpq h TRP 506 N 0.48 1.09 -0.44 4.55 -0.00 -1.99 -2.30 115.95 117.35 1qpq h TRP 506 Ca 0.25 -0.35 -0.12 0.00 -0.00 0.00 0.00 58.89 58.68 1qpq h TRP 506 Cb 0.20 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1qpq h TRP 506 CO -0.12 1.17 -0.19 0.93 -0.00 0.00 0.00 178.44 180.23 1qpq h GLU 507 N 0.69 0.85 -0.26 2.65 5.08 -1.58 -0.21 114.58 121.81 1qpq h GLU 507 Ca 0.04 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1qpq h GLU 507 Cb 1.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1qpq h GLU 507 CO 0.10 0.97 0.10 1.25 -1.00 0.00 0.00 179.01 180.44 1qpq h LEU 508 N 0.75 0.36 -0.73 1.33 5.85 0.43 0.15 115.31 123.44 1qpq h LEU 508 Ca 0.11 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1qpq h LEU 508 Cb 0.72 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1qpq h LEU 508 CO 0.06 0.43 -0.03 0.00 -0.34 0.00 0.00 178.44 178.55 1qpq h ALA 509 N 0.94 0.93 -0.56 1.25 0.00 -1.24 0.26 119.26 120.84 1qpq h ALA 509 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1qpq h ALA 509 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1qpq h ALA 509 CO -0.01 0.63 0.28 0.00 0.00 0.00 0.00 179.25 180.15 1qpq h ALA 510 N 1.10 0.73 0.25 0.00 0.00 -0.76 -2.03 119.26 118.54 1qpq h ALA 510 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qpq h ALA 510 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qpq h ALA 510 CO 0.03 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1qpq h ALA 511 N 1.11 -0.33 -0.84 0.00 0.00 0.05 -0.76 119.26 118.50 1qpq h ALA 511 Ca 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1qpq h ALA 511 Cb 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1qpq h ALA 511 CO -0.03 -0.68 0.55 0.00 0.00 0.00 0.00 179.25 179.10 1qpq h ARG 512 N -0.36 1.07 -0.45 0.00 3.08 -0.91 0.61 114.38 117.42 1qpq h ARG 512 Ca -0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1qpq h ARG 512 Cb 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1qpq h ARG 512 CO 0.06 0.71 0.13 0.00 -1.07 0.00 0.00 179.97 179.80 1qpq h ALA 513 N 1.49 0.59 -0.17 0.04 0.00 -1.01 0.14 119.26 120.33 1qpq h ALA 513 Ca 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qpq h ALA 513 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1qpq h ALA 513 CO -0.08 0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.48 1qpq h ALA 514 N 0.99 0.23 -0.42 0.00 0.00 -0.04 -0.61 119.26 119.40 1qpq h ALA 514 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1qpq h ALA 514 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qpq h ALA 514 CO -0.00 -0.16 0.09 -0.84 0.00 0.00 0.00 179.25 178.34 1qpq h ILE 515 N 0.11 1.19 -0.51 0.00 -0.00 -0.76 0.15 117.51 117.69 1qpq h ILE 515 Ca 0.06 -0.71 -0.05 0.00 -0.00 0.00 0.00 64.86 64.16 1qpq h ILE 515 Cb 0.22 0.78 -0.02 0.00 -0.00 0.00 0.00 36.82 37.80 1qpq h ILE 515 CO -0.00 0.26 0.11 0.00 -0.00 0.00 0.00 178.15 178.51 1qpq h ALA 516 N 1.49 0.67 -0.29 0.16 0.00 -0.41 -0.57 119.26 120.31 1qpq h ALA 516 Ca 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1qpq h ALA 516 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qpq h ALA 516 CO -0.00 0.38 -0.38 0.00 0.00 0.00 0.00 179.25 179.25 1qpq h ARG 517 N 0.70 0.67 0.33 0.00 3.08 -0.54 -2.05 114.38 116.57 1qpq h ARG 517 Ca 0.16 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1qpq h ARG 517 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1qpq h ARG 517 CO 0.01 0.94 -0.16 0.78 -1.07 0.00 0.00 179.97 180.46 1qpq h GLY 518 N 0.99 -0.46 1.02 0.04 0.00 -0.25 -1.83 103.07 102.58 1qpq h GLY 518 Ca 0.05 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1qpq h GLY 518 CO 0.08 -0.17 0.63 1.41 0.00 0.00 0.00 176.54 178.49 1qpq h LEU 519 N -0.49 1.06 -1.40 3.11 3.38 -1.13 -1.27 115.31 118.56 1qpq h LEU 519 Ca -0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1qpq h LEU 519 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qpq h LEU 519 CO 0.07 0.75 -0.28 -0.78 0.09 0.00 0.00 178.44 178.30 1qpq h ASP 520 N 1.24 0.03 -0.14 -0.43 3.58 -1.19 -0.08 116.42 119.44 1qpq h ASP 520 Ca 0.36 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.66 1qpq h ASP 520 Cb -0.08 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1qpq h ASP 520 CO -0.09 0.31 -0.39 -0.33 -2.88 0.00 0.00 179.24 175.86 1qpq h GLU 521 N 0.03 0.66 -0.28 0.28 5.08 -0.37 -1.67 114.58 118.32 1qpq h GLU 521 Ca 0.00 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 57.85 1qpq h GLU 521 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1qpq h GLU 521 CO 0.04 0.94 -0.53 -0.44 -1.00 0.00 0.00 179.01 178.02 1qpq h ASP 522 N 0.55 0.91 0.13 1.42 3.32 -0.96 -3.34 116.42 118.45 1qpq h ASP 522 Ca 0.05 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1qpq h ASP 522 Cb 0.92 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qpq h ASP 522 CO 0.08 1.26 -0.57 0.18 -1.72 0.00 0.00 179.24 178.48 1qpq n LEU 523 N -4.00 1.29 -0.10 1.55 4.77 -0.11 -4.49 117.00 115.90 1qpq n LEU 523 Ca -0.04 -0.46 0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1qpq n LEU 523 Cb 0.61 -0.07 0.68 0.00 -2.33 0.00 0.00 43.42 42.32 1qpq n LEU 523 CO 0.50 0.26 1.22 -0.09 -1.33 0.00 0.00 177.39 177.95 1qpq h ARG 524 N 1.14 0.05 -0.42 3.23 2.43 -1.43 -1.57 114.38 117.82 1qpq h ARG 524 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qpq h ARG 524 Cb 0.59 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1qpq h ARG 524 CO 0.00 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 1qpq n TYR 525 N -4.34 0.55 0.00 2.20 4.02 -1.26 -5.04 117.16 113.28 1qpq n TYR 525 Ca 0.15 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1qpq n TYR 525 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 1qpq n TYR 525 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpq n GLY 526 N 1.44 0.92 3.80 2.72 0.00 -0.59 -5.11 105.19 108.36 1qpq n GLY 526 Ca 0.19 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 1qpq n GLY 526 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 527 N -1.02 0.87 -1.21 1.61 0.04 -1.26 -4.53 135.00 129.50 1qpq s PRO 527 Ca 0.00 0.12 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 1qpq s PRO 527 Cb 0.00 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1qpq s PRO 527 CO 0.00 -2.35 1.90 -3.47 0.04 0.00 0.00 177.00 173.12 1qpq n ASP 528 N -3.84 3.80 -0.28 6.66 -0.08 -1.26 -4.77 116.55 116.78 1qpq n ASP 528 Ca 0.09 -2.80 0.08 0.00 -1.51 0.00 0.00 54.79 50.65 1qpq n ASP 528 Cb 0.59 -1.65 0.23 0.00 2.34 0.00 0.00 41.12 42.64 1qpq n ASP 528 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 529 N 5.42 0.60 -0.35 5.18 3.04 -1.99 -1.92 116.25 126.23 1qpq h VAL 529 Ca 0.38 -0.16 -0.07 0.00 -1.01 0.00 0.00 66.70 65.84 1qpq h VAL 529 Cb 0.84 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1qpq h VAL 529 CO 1.50 0.08 -0.09 0.00 -1.01 0.00 0.00 177.57 178.05 1qpq h THR 530 N 0.46 1.24 0.00 3.17 1.03 -1.99 -0.13 112.91 116.68 1qpq h THR 530 Ca 0.47 -1.03 -0.14 0.00 -0.01 0.00 0.00 66.41 65.70 1qpq h THR 530 Cb 0.78 1.07 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1qpq h THR 530 CO -0.44 0.35 -0.89 0.71 -0.01 0.00 0.00 175.52 175.23 1qpq h THR 531 N 0.56 0.86 -0.58 0.00 1.35 -1.82 -2.49 112.91 110.78 1qpq h THR 531 Ca 0.10 -2.32 -0.07 0.00 -0.55 0.00 0.00 66.41 63.57 1qpq h THR 531 Cb 0.49 2.36 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 1qpq h THR 531 CO 0.03 0.49 0.08 -0.07 -0.25 0.00 0.00 175.52 175.80 1qpq h LEU 532 N 0.00 0.93 -0.48 3.87 4.07 -0.99 -0.30 115.31 122.40 1qpq h LEU 532 Ca -0.06 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.58 1qpq h LEU 532 Cb 1.52 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 1qpq h LEU 532 CO 0.07 0.96 -0.23 0.00 -1.08 0.00 0.00 178.44 178.16 1qpq h ALA 533 N 1.00 0.90 0.00 1.53 0.00 -1.04 -3.37 119.26 118.27 1qpq h ALA 533 Ca 0.17 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1qpq h ALA 533 Cb 0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1qpq h ALA 533 CO 0.01 0.29 -1.81 0.25 0.00 0.00 0.00 179.25 177.99 1qpq n THR 534 N -3.23 0.60 -4.97 0.00 -2.24 -0.94 -4.99 114.28 98.51 1qpq n THR 534 Ca 0.02 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 1qpq n THR 534 Cb 0.55 -0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 1qpq n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 535 N -2.54 1.66 0.50 2.28 0.11 -0.14 -5.08 120.40 117.20 1qpq s VAL 535 Ca -0.06 -0.82 -0.19 0.00 -2.93 0.00 0.00 61.98 57.98 1qpq s VAL 535 Cb 0.06 -1.44 -0.08 0.00 -1.53 0.00 0.00 36.38 33.39 1qpq s VAL 535 CO 0.55 0.47 1.04 -2.16 -3.33 0.00 0.00 175.10 171.68 1qpq s PRO 536 N 0.21 3.72 0.44 1.54 0.04 -1.26 -4.61 135.00 135.08 1qpq s PRO 536 Ca -0.10 1.33 0.20 0.00 0.04 0.00 0.00 61.00 62.47 1qpq s PRO 536 Cb -0.15 -2.08 1.16 0.00 0.04 0.00 0.00 34.50 33.47 1qpq s PRO 536 CO 0.05 -0.49 1.88 0.00 0.04 0.00 0.00 177.00 178.47 1qpq h ALA 537 N 1.36 2.31 0.00 8.56 0.00 -1.95 -0.31 119.26 129.23 1qpq h ALA 537 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qpq h ALA 537 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1qpq h ALA 537 CO 0.59 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1qpq n SER 538 N -4.46 0.00 -4.66 0.00 3.41 -1.26 -4.89 113.62 101.76 1qpq n SER 538 Ca 0.18 0.33 -0.36 0.00 -0.26 0.00 0.00 58.87 58.76 1qpq n SER 538 Cb 0.71 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1qpq n SER 538 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq n ALA 539 N -1.44 0.27 -3.36 7.33 0.00 -0.13 -4.95 120.51 118.23 1qpq n ALA 539 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1qpq n ALA 539 Cb 0.30 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 1qpq n ALA 539 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qpq s THR 540 N -1.67 0.02 0.32 0.00 2.01 -1.26 -1.93 115.64 113.13 1qpq s THR 540 Ca 0.77 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 1qpq s THR 540 Cb -0.36 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 1qpq s THR 540 CO 0.47 -0.08 0.39 0.42 -0.69 0.00 0.00 174.62 175.13 1qpq s THR 541 N -0.48 0.00 -0.15 -0.82 -4.23 -0.54 -4.79 115.64 104.63 1qpq s THR 541 Ca -0.06 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1qpq s THR 541 Cb -0.03 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 1qpq s THR 541 CO 0.03 0.00 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.06 1qpq s THR 542 N -3.33 2.59 0.14 3.99 2.01 -1.26 -1.32 115.64 118.47 1qpq s THR 542 Ca 0.34 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1qpq s THR 542 Cb 0.01 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1qpq s THR 542 CO 0.21 0.52 -0.13 0.00 -0.69 0.00 0.00 174.62 174.53 1qpq s ALA 543 N 0.79 1.57 -0.02 7.40 0.00 -0.16 -4.64 121.76 126.70 1qpq s ALA 543 Ca -0.06 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1qpq s ALA 543 Cb -0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1qpq s ALA 543 CO 0.00 0.04 -0.12 -1.12 0.00 0.00 0.00 175.76 174.55 1qpq s SER 544 N -2.81 1.54 -0.57 0.00 0.01 0.26 -1.91 113.70 110.21 1qpq s SER 544 Ca 0.14 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 1qpq s SER 544 Cb -0.02 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.93 1qpq s SER 544 CO 0.03 0.12 1.00 -0.76 0.41 0.00 0.00 173.24 174.04 1qpq s LEU 545 N -0.03 3.97 -0.05 2.44 2.01 -0.52 0.17 118.68 126.67 1qpq s LEU 545 Ca -0.00 -0.32 0.06 0.00 0.01 0.00 0.00 54.13 53.88 1qpq s LEU 545 Cb -0.08 -2.85 -0.02 0.00 0.01 0.00 0.00 46.19 43.26 1qpq s LEU 545 CO 0.00 -1.31 -0.23 0.68 1.01 0.00 0.00 176.35 176.50 1qpq s VAL 546 N 4.20 2.25 0.23 -1.59 -7.23 0.84 -0.04 120.40 119.05 1qpq s VAL 546 Ca 0.32 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1qpq s VAL 546 Cb -0.12 -1.82 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1qpq s VAL 546 CO 0.19 0.57 1.07 0.42 -0.31 0.00 0.00 175.10 177.05 1qpq s THR 547 N -0.38 3.78 -1.96 5.32 -4.23 -0.74 -0.08 115.64 117.34 1qpq s THR 547 Ca 0.03 1.67 0.26 0.00 -1.18 0.00 0.00 61.69 62.47 1qpq s THR 547 Cb -0.12 -4.06 0.31 0.00 1.34 0.00 0.00 72.50 69.97 1qpq s THR 547 CO 0.02 0.35 1.57 0.54 -0.54 0.00 0.00 174.62 176.55 1qpq n ARG 548 N 1.78 1.08 -4.01 3.99 3.00 0.99 -3.59 116.66 119.90 1qpq n ARG 548 Ca 0.00 -0.66 -0.10 0.00 -0.01 0.00 0.00 57.85 57.08 1qpq n ARG 548 Cb 0.46 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 31.38 1qpq n ARG 548 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 549 N -2.38 1.61 0.30 5.56 -1.05 -1.24 -4.81 118.70 116.69 1qpq s GLU 549 Ca 0.27 -1.33 -0.10 0.00 -0.15 0.00 0.00 54.97 53.66 1qpq s GLU 549 Cb 0.20 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 34.28 1qpq s GLU 549 CO 0.48 -0.67 0.65 0.00 0.95 0.00 0.00 175.26 176.66 1qpq s ALA 550 N -3.84 3.46 0.00 -0.84 0.00 -1.26 -3.93 121.76 115.36 1qpq s ALA 550 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1qpq s ALA 550 Cb -0.01 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1qpq s ALA 550 CO 0.11 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1qpq n GLY 551 N -0.57 -0.90 3.52 0.00 0.00 -0.20 -4.97 105.19 102.06 1qpq n GLY 551 Ca 0.01 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1qpq n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 552 N -3.00 3.63 0.01 1.61 1.01 -1.26 0.33 120.40 122.73 1qpq s VAL 552 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1qpq s VAL 552 Cb 0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1qpq s VAL 552 CO 0.00 0.55 0.49 0.54 0.00 0.00 0.00 175.10 176.68 1qpq s VAL 553 N -0.23 4.93 -0.07 2.92 0.11 -0.51 -4.24 120.40 123.31 1qpq s VAL 553 Ca 0.03 1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 59.93 1qpq s VAL 553 Cb -0.13 -3.81 0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1qpq s VAL 553 CO 0.03 0.53 0.40 0.00 -3.33 0.00 0.00 175.10 172.72 1qpq s ALA 554 N -0.81 -1.01 0.00 1.54 0.00 -1.26 0.90 121.76 121.11 1qpq s ALA 554 Ca 0.26 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1qpq s ALA 554 Cb -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1qpq s ALA 554 CO 0.15 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1qpq n GLY 555 N 1.73 0.77 0.19 0.00 0.00 -1.26 -3.73 105.19 102.90 1qpq n GLY 555 Ca -0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1qpq n GLY 555 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 556 N 0.00 0.17 -1.03 0.99 4.07 -1.95 -1.94 115.31 115.62 1qpq h LEU 556 Ca 0.00 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1qpq h LEU 556 Cb 0.20 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1qpq h LEU 556 CO 0.00 0.54 -0.14 0.44 -1.08 0.00 0.00 178.44 178.20 1qpq h ASP 557 N 0.14 0.52 0.12 -0.43 3.32 -1.97 -1.06 116.42 117.06 1qpq h ASP 557 Ca 0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1qpq h ASP 557 Cb 0.75 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1qpq h ASP 557 CO 0.06 0.69 -0.03 0.58 -1.72 0.00 0.00 179.24 178.82 1qpq h VAL 558 N 0.49 0.38 0.03 -1.35 2.07 -1.76 -0.12 116.25 115.99 1qpq h VAL 558 Ca 0.09 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1qpq h VAL 558 Cb 0.53 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1qpq h VAL 558 CO 0.03 0.03 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 1qpq h ALA 559 N 1.97 -0.04 -0.98 1.67 0.00 -1.13 -2.30 119.26 118.45 1qpq h ALA 559 Ca -0.00 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1qpq h ALA 559 Cb 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1qpq h ALA 559 CO 0.00 -0.23 0.62 -0.07 0.00 0.00 0.00 179.25 179.58 1qpq h LEU 560 N -0.63 0.92 -1.35 0.00 -0.00 -1.03 -1.21 115.31 112.01 1qpq h LEU 560 Ca -0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 1qpq h LEU 560 Cb 0.57 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1qpq h LEU 560 CO 0.01 0.52 -0.19 -0.07 -0.00 0.00 0.00 178.44 178.71 1qpq h LEU 561 N 1.01 0.19 -0.46 1.67 3.38 -0.96 0.09 115.31 120.23 1qpq h LEU 561 Ca 0.46 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.27 1qpq h LEU 561 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1qpq h LEU 561 CO -0.22 0.39 -0.18 0.74 0.09 0.00 0.00 178.44 179.26 1qpq h THR 562 N 0.19 1.27 -0.24 0.22 2.02 -0.64 -2.04 112.91 113.69 1qpq h THR 562 Ca 0.03 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1qpq h THR 562 Cb 0.45 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1qpq h THR 562 CO 0.03 0.45 -0.04 -0.07 0.37 0.00 0.00 175.52 176.26 1qpq h LEU 563 N 0.76 0.45 -0.86 2.58 4.07 -1.08 -0.00 115.31 121.24 1qpq h LEU 563 Ca 0.11 -0.35 0.14 0.00 0.08 0.00 0.00 57.88 57.85 1qpq h LEU 563 Cb 0.74 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 42.27 1qpq h LEU 563 CO 0.06 0.70 0.45 0.78 -1.08 0.00 0.00 178.44 179.35 1qpq h ASN 564 N 0.19 0.57 -0.42 -0.43 2.35 -0.91 1.40 115.58 118.32 1qpq h ASN 564 Ca 0.06 0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1qpq h ASN 564 Cb 0.49 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1qpq h ASN 564 CO 0.02 0.26 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.74 1qpq h GLU 565 N 0.66 0.91 0.10 0.81 4.57 -0.87 0.19 114.58 120.95 1qpq h GLU 565 Ca 0.46 -0.41 -0.26 0.00 -1.18 0.00 0.00 59.36 57.97 1qpq h GLU 565 Cb 0.62 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1qpq h GLU 565 CO -0.34 1.07 -1.34 0.28 -1.18 0.00 0.00 179.01 177.49 1qpq h VAL 566 N 0.74 1.04 0.00 0.32 2.07 0.36 -3.41 116.25 117.37 1qpq h VAL 566 Ca 0.09 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1qpq h VAL 566 Cb 0.81 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1qpq h VAL 566 CO 0.07 0.67 -1.38 0.18 0.02 0.00 0.00 177.57 177.12 1qpq n LEU 567 N -4.00 0.43 0.00 2.57 4.77 0.47 -4.97 117.00 116.27 1qpq n LEU 567 Ca -0.25 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1qpq n LEU 567 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1qpq n LEU 567 CO 0.38 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1qpq n GLY 568 N 1.43 -1.66 0.33 -0.72 0.00 0.06 -3.64 105.19 100.98 1qpq n GLY 568 Ca -0.00 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.82 1qpq n GLY 568 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 569 N 0.00 0.49 -0.28 2.61 2.02 -1.86 0.45 112.91 116.34 1qpq h THR 569 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1qpq h THR 569 Cb 0.00 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1qpq h THR 569 CO 0.00 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.57 1qpq n ASN 570 N -4.97 3.25 -0.22 4.18 3.02 -1.26 -3.99 115.26 115.26 1qpq n ASN 570 Ca 0.25 -2.44 0.11 0.00 -0.03 0.00 0.00 54.58 52.48 1qpq n ASN 570 Cb 0.73 -0.58 0.08 0.00 -0.61 0.00 0.00 39.78 39.39 1qpq n ASN 570 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 571 N 0.32 -0.60 3.58 7.41 0.00 0.16 -4.97 105.19 111.09 1qpq n GLY 571 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1qpq n GLY 571 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 572 N -2.72 0.22 -0.02 1.61 1.13 -1.26 -3.73 117.35 112.58 1qpq s TYR 572 Ca 0.15 -0.59 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 1qpq s TYR 572 Cb 0.18 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.30 1qpq s TYR 572 CO 0.67 -0.98 -0.06 0.50 -2.51 0.00 0.00 175.55 173.17 1qpq s ARG 573 N -3.98 0.68 -0.43 -3.49 3.52 0.15 -4.98 118.95 110.43 1qpq s ARG 573 Ca 0.18 -0.20 -0.16 0.00 -0.13 0.00 0.00 55.73 55.42 1qpq s ARG 573 Cb -0.01 -0.67 0.03 0.00 -1.56 0.00 0.00 34.95 32.75 1qpq s ARG 573 CO 0.06 0.06 0.39 0.08 -0.81 0.00 0.00 175.30 175.08 1qpq s VAL 574 N 0.25 5.17 0.11 7.11 1.01 -1.26 -0.41 120.40 132.37 1qpq s VAL 574 Ca -0.03 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1qpq s VAL 574 Cb -0.07 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.08 1qpq s VAL 574 CO -0.00 -0.44 1.30 -0.07 0.00 0.00 0.00 175.10 175.88 1qpq h LEU 575 N 8.88 0.00 -7.00 3.92 4.07 -1.02 -3.48 115.31 120.68 1qpq h LEU 575 Ca -0.27 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.73 1qpq h LEU 575 Cb 1.11 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.64 1qpq h LEU 575 CO 0.80 0.96 0.42 -0.62 -1.08 0.00 0.00 178.44 178.93 1qpq s ASP 576 N -6.70 -0.47 0.06 -0.43 -1.08 -0.94 -4.96 116.67 102.16 1qpq s ASP 576 Ca 0.01 0.47 -0.26 0.00 -0.52 0.00 0.00 52.55 52.24 1qpq s ASP 576 Cb 0.10 0.39 0.08 0.00 -1.46 0.00 0.00 42.92 42.02 1qpq s ASP 576 CO 0.81 -0.46 0.67 0.00 0.52 0.00 0.00 175.17 176.71 1qpq s ARG 577 N -1.33 1.14 0.28 4.34 1.70 -1.26 0.72 118.95 124.54 1qpq s ARG 577 Ca -0.04 -0.18 0.06 0.00 -0.47 0.00 0.00 55.73 55.09 1qpq s ARG 577 Cb -0.00 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1qpq s ARG 577 CO 0.03 -0.45 0.40 0.08 -1.08 0.00 0.00 175.30 174.28 1qpq s VAL 578 N -2.72 4.68 0.21 4.99 1.01 0.77 -4.96 120.40 124.38 1qpq s VAL 578 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1qpq s VAL 578 Cb -0.01 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1qpq s VAL 578 CO -0.04 -0.25 0.55 -1.61 0.00 0.00 0.00 175.10 173.75 1qpq s GLU 579 N -4.06 3.85 0.36 2.72 0.41 -1.26 -4.98 118.70 115.74 1qpq s GLU 579 Ca 0.39 0.34 -0.28 0.00 -0.41 0.00 0.00 54.97 55.00 1qpq s GLU 579 Cb -0.09 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.43 1qpq s GLU 579 CO 0.30 0.36 1.40 -0.51 -0.49 0.00 0.00 175.26 176.32 1qpq s ASP 580 N -2.18 6.51 0.00 -0.19 1.11 -1.26 -2.55 116.67 118.11 1qpq s ASP 580 Ca 0.45 2.88 0.00 0.00 0.18 0.00 0.00 52.55 56.06 1qpq s ASP 580 Cb -0.12 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1qpq s ASP 580 CO 0.20 -0.74 0.00 0.61 1.18 0.00 0.00 175.17 176.43 1qpq n GLY 581 N 0.61 0.06 3.73 0.21 0.00 0.26 -4.99 105.19 105.07 1qpq n GLY 581 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qpq n GLY 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 582 N -2.01 3.50 -0.02 4.61 0.00 -1.06 -4.68 121.76 122.11 1qpq s ALA 582 Ca 0.00 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.72 1qpq s ALA 582 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1qpq s ALA 582 CO 0.00 -0.50 0.90 1.03 0.00 0.00 0.00 175.76 177.19 1qpq s ARG 583 N 0.20 4.53 -0.00 0.00 1.81 -1.26 -1.43 118.95 122.80 1qpq s ARG 583 Ca 0.57 1.27 0.03 0.00 -1.72 0.00 0.00 55.73 55.88 1qpq s ARG 583 Cb -0.35 -3.45 -0.01 0.00 -0.45 0.00 0.00 34.95 30.69 1qpq s ARG 583 CO 0.35 -0.01 -0.10 0.08 -0.68 0.00 0.00 175.30 174.95 1qpq s VAL 584 N 0.93 0.75 0.69 3.52 1.01 0.15 -4.99 120.40 122.46 1qpq s VAL 584 Ca 0.48 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1qpq s VAL 584 Cb -0.20 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.59 1qpq s VAL 584 CO 0.25 0.17 1.00 -2.16 0.00 0.00 0.00 175.10 174.36 1qpq s PRO 585 N -0.33 2.27 0.00 2.72 0.04 -1.26 -1.04 135.00 137.41 1qpq s PRO 585 Ca 0.03 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1qpq s PRO 585 Cb -0.04 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1qpq s PRO 585 CO -0.00 -1.17 0.42 -2.30 0.04 0.00 0.00 177.00 173.98 1qpq n PRO 586 N -2.87 0.00 -0.35 0.56 -0.02 -1.25 -3.04 135.00 128.03 1qpq n PRO 586 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1qpq n PRO 586 Cb 0.60 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1qpq n PRO 586 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 587 N -0.85 2.32 3.73 -1.23 0.00 -1.24 -3.73 105.19 104.21 1qpq n GLY 587 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qpq n GLY 587 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 588 N 0.03 4.68 -0.53 1.61 2.56 -1.17 -4.79 118.70 121.07 1qpq s GLU 588 Ca 0.00 1.53 -0.21 0.00 0.00 0.00 0.00 54.97 56.29 1qpq s GLU 588 Cb 0.00 -3.34 0.05 0.00 2.00 0.00 0.00 34.13 32.84 1qpq s GLU 588 CO 0.00 0.19 0.77 0.00 -0.56 0.00 0.00 175.26 175.66 1qpq s ALA 589 N -0.12 3.28 0.25 6.30 0.00 -1.26 -1.79 121.76 128.43 1qpq s ALA 589 Ca 0.47 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1qpq s ALA 589 Cb -0.25 -3.54 0.31 0.00 0.00 0.00 0.00 23.12 19.65 1qpq s ALA 589 CO 0.31 -2.21 1.70 -0.07 0.00 0.00 0.00 175.76 175.49 1qpq h LEU 590 N 10.30 0.66 -7.00 0.00 3.38 -0.85 -3.43 115.31 118.37 1qpq h LEU 590 Ca -0.27 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1qpq h LEU 590 Cb 1.08 -0.18 -0.21 0.00 0.09 0.00 0.00 40.66 41.45 1qpq h LEU 590 CO 1.03 0.84 0.06 -0.32 0.09 0.00 0.00 178.44 180.14 1qpq s MET 591 N -4.66 0.74 -0.12 1.13 0.00 -1.23 -0.16 119.30 115.00 1qpq s MET 591 Ca -0.08 1.16 0.01 0.00 0.00 0.00 0.00 55.69 56.77 1qpq s MET 591 Cb 0.14 0.22 -0.01 0.00 0.00 0.00 0.00 34.83 35.17 1qpq s MET 591 CO 0.81 -0.13 -0.17 0.99 0.00 0.00 0.00 175.02 176.52 1qpq s THR 592 N 1.28 2.72 0.12 10.11 2.01 0.22 -1.43 115.64 130.67 1qpq s THR 592 Ca -0.07 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1qpq s THR 592 Cb -0.05 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1qpq s THR 592 CO -0.14 0.54 0.06 -1.48 -0.69 0.00 0.00 174.62 172.91 1qpq s LEU 593 N 0.34 1.82 -0.11 4.42 0.05 -0.80 -0.33 118.68 124.06 1qpq s LEU 593 Ca -0.13 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 52.92 1qpq s LEU 593 Cb -0.17 0.35 0.01 0.00 -2.05 0.00 0.00 46.19 44.34 1qpq s LEU 593 CO 0.07 -0.72 -0.20 -0.70 -0.55 0.00 0.00 176.35 174.25 1qpq s GLU 594 N -4.02 2.66 0.22 1.48 2.12 0.45 -0.99 118.70 120.62 1qpq s GLU 594 Ca 0.21 -0.73 -0.20 0.00 0.36 0.00 0.00 54.97 54.61 1qpq s GLU 594 Cb 0.07 -2.14 0.03 0.00 0.26 0.00 0.00 34.13 32.35 1qpq s GLU 594 CO -0.00 0.02 0.60 0.00 -0.54 0.00 0.00 175.26 175.34 1qpq s ALA 595 N 0.74 -1.13 0.14 6.30 0.00 -0.44 -0.67 121.76 126.70 1qpq s ALA 595 Ca -0.10 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 1qpq s ALA 595 Cb -0.16 0.87 -0.10 0.00 0.00 0.00 0.00 23.12 23.73 1qpq s ALA 595 CO 0.01 -0.87 1.72 -1.14 0.00 0.00 0.00 175.76 175.48 1qpq s GLN 596 N -3.87 4.16 0.19 0.00 0.74 -1.24 -1.47 119.66 118.16 1qpq s GLN 596 Ca 0.09 2.50 -0.13 0.00 0.05 0.00 0.00 55.36 57.87 1qpq s GLN 596 Cb -0.03 -3.41 0.19 0.00 1.10 0.00 0.00 33.01 30.87 1qpq s GLN 596 CO -0.01 -0.76 1.72 1.15 -0.55 0.00 0.00 175.29 176.84 1qpq h THR 597 N 4.42 0.74 -0.47 -0.34 2.02 -1.69 -2.70 112.91 114.89 1qpq h THR 597 Ca -0.44 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1qpq h THR 597 Cb 1.21 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1qpq h THR 597 CO 0.94 0.05 0.17 0.03 0.37 0.00 0.00 175.52 177.08 1qpq h ARG 598 N 0.26 0.34 -0.85 6.66 3.08 -1.85 -1.64 114.38 120.38 1qpq h ARG 598 Ca 0.25 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1qpq h ARG 598 Cb 0.33 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1qpq h ARG 598 CO -0.31 0.23 0.54 0.78 -1.07 0.00 0.00 179.97 180.14 1qpq h GLY 599 N 0.35 1.25 0.94 0.04 0.00 -1.87 -1.77 103.07 102.02 1qpq h GLY 599 Ca 0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1qpq h GLY 599 CO -0.22 0.34 -0.14 1.41 0.00 0.00 0.00 176.54 177.93 1qpq h LEU 600 N 1.05 -0.33 -2.23 3.11 3.38 -1.09 -1.10 115.31 118.09 1qpq h LEU 600 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1qpq h LEU 600 Cb 0.04 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1qpq h LEU 600 CO -0.13 -0.18 -0.04 -0.07 0.09 0.00 0.00 178.44 178.10 1qpq h LEU 601 N -0.46 0.00 0.23 1.67 4.07 -1.04 0.21 115.31 119.99 1qpq h LEU 601 Ca -0.04 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.58 1qpq h LEU 601 Cb 0.35 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.11 1qpq h LEU 601 CO 0.07 0.04 -1.59 0.74 -1.08 0.00 0.00 178.44 176.62 1qpq h THR 602 N 0.00 1.15 0.00 0.22 2.02 -1.14 -3.34 112.91 111.82 1qpq h THR 602 Ca -0.00 -2.64 -0.12 0.00 0.77 0.00 0.00 66.41 64.43 1qpq h THR 602 Cb 0.11 2.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1qpq h THR 602 CO 0.01 0.83 -0.55 0.00 0.37 0.00 0.00 175.52 176.18 1qpq h ALA 603 N 0.15 0.82 -0.32 6.16 0.00 -0.48 -3.40 119.26 122.19 1qpq h ALA 603 Ca -0.29 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1qpq h ALA 603 Cb 2.14 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1qpq h ALA 603 CO 0.24 0.69 -0.19 -1.91 0.00 0.00 0.00 179.25 178.08 1qpq n GLU 604 N -3.50 -0.14 -0.13 0.00 2.13 0.68 -1.41 120.64 118.28 1qpq n GLU 604 Ca 0.00 0.96 -0.07 0.00 0.66 0.00 0.00 57.16 58.71 1qpq n GLU 604 Cb 0.65 -1.43 0.02 0.00 0.27 0.00 0.00 31.44 30.95 1qpq n GLU 604 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 605 N 0.00 0.43 -0.27 5.31 9.65 -1.82 0.32 114.38 127.99 1qpq h ARG 605 Ca 0.05 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1qpq h ARG 605 Cb 0.13 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1qpq h ARG 605 CO -0.30 0.28 0.17 1.15 2.80 0.00 0.00 179.97 184.07 1qpq h THR 606 N 0.44 1.10 0.74 0.20 2.02 -1.78 -0.02 112.91 115.61 1qpq h THR 606 Ca 0.17 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1qpq h THR 606 Cb 0.05 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1qpq h THR 606 CO -0.10 0.09 -0.36 -0.03 0.37 0.00 0.00 175.52 175.50 1qpq h MET 607 N 0.35 -0.96 -0.62 6.66 1.85 -1.00 -2.60 114.93 118.61 1qpq h MET 607 Ca 0.10 0.07 0.07 0.00 -0.61 0.00 0.00 59.70 59.32 1qpq h MET 607 Cb 0.01 0.22 -0.06 0.00 0.43 0.00 0.00 31.60 32.19 1qpq h MET 607 CO -0.02 -0.64 0.31 -0.07 -0.40 0.00 0.00 176.91 176.09 1qpq h LEU 608 N -0.99 0.41 -0.91 3.39 4.07 -0.87 -2.31 115.31 118.10 1qpq h LEU 608 Ca -0.10 0.05 0.06 0.00 0.08 0.00 0.00 57.88 57.96 1qpq h LEU 608 Cb 0.76 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.41 1qpq h LEU 608 CO 0.17 0.26 0.58 0.78 -1.08 0.00 0.00 178.44 179.15 1qpq h ASN 609 N 0.56 0.93 0.06 -0.43 2.35 -0.96 0.12 115.58 118.20 1qpq h ASN 609 Ca 0.29 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1qpq h ASN 609 Cb 0.25 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1qpq h ASN 609 CO -0.22 0.60 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.06 1qpq h LEU 610 N 1.07 -0.06 -0.86 1.61 -0.00 -1.03 -2.44 115.31 113.59 1qpq h LEU 610 Ca 0.39 -0.46 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 1qpq h LEU 610 Cb 0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1qpq h LEU 610 CO -0.16 0.45 -0.50 -0.37 -0.00 0.00 0.00 178.44 177.86 1qpq h VAL 611 N -0.60 1.18 -0.25 1.22 -1.51 -1.45 -0.65 116.25 114.19 1qpq h VAL 611 Ca -0.01 -1.82 -0.14 0.00 -1.23 0.00 0.00 66.70 63.50 1qpq h VAL 611 Cb 0.52 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1qpq h VAL 611 CO 0.01 0.49 -0.44 1.23 -1.23 0.00 0.00 177.57 177.63 1qpq h GLY 612 N 1.92 0.67 0.63 5.19 0.00 -1.05 0.38 103.07 110.81 1qpq h GLY 612 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1qpq h GLY 612 CO 0.06 0.63 -0.06 0.84 0.00 0.00 0.00 176.54 178.01 1qpq h HIS 613 N 0.50 -0.17 -0.40 5.60 6.17 -1.12 -1.21 115.15 124.51 1qpq h HIS 613 Ca 0.03 -0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 1qpq h HIS 613 Cb 0.96 0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.93 1qpq h HIS 613 CO 0.04 0.19 -0.03 -0.07 0.71 0.00 0.00 177.93 178.77 1qpq h LEU 614 N -0.56 0.63 -1.06 0.26 3.38 -1.11 -0.22 115.31 116.63 1qpq h LEU 614 Ca -0.02 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1qpq h LEU 614 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1qpq h LEU 614 CO 0.03 0.73 -0.46 0.28 0.09 0.00 0.00 178.44 179.11 1qpq h SER 615 N 0.62 0.00 -0.51 -0.43 0.02 -0.93 -1.64 113.55 110.68 1qpq h SER 615 Ca 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1qpq h SER 615 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1qpq h SER 615 CO 0.02 0.46 0.27 1.23 -1.14 0.00 0.00 176.83 177.67 1qpq h GLY 616 N 1.47 0.77 0.75 -3.77 0.00 0.06 -0.08 103.07 102.27 1qpq h GLY 616 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1qpq h GLY 616 CO 0.06 0.34 -0.05 -2.22 0.00 0.00 0.00 176.54 174.67 1qpq h ILE 617 N 0.68 1.03 -0.51 2.60 2.04 -0.86 -1.94 117.51 120.55 1qpq h ILE 617 Ca 0.18 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1qpq h ILE 617 Cb 0.07 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1qpq h ILE 617 CO -0.03 0.13 0.22 0.00 0.00 0.00 0.00 178.15 178.47 1qpq h ALA 618 N 0.44 1.43 -0.28 1.87 0.00 -1.24 -0.83 119.26 120.66 1qpq h ALA 618 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1qpq h ALA 618 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qpq h ALA 618 CO 0.03 0.44 0.07 1.15 0.00 0.00 0.00 179.25 180.93 1qpq h THR 619 N 0.72 1.21 -0.15 0.00 2.02 -0.89 -1.28 112.91 114.54 1qpq h THR 619 Ca 0.18 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1qpq h THR 619 Cb 0.12 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1qpq h THR 619 CO -0.02 0.23 0.06 0.00 0.37 0.00 0.00 175.52 176.16 1qpq h ALA 620 N 0.90 0.19 -0.06 6.16 0.00 -0.93 -2.68 119.26 122.84 1qpq h ALA 620 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1qpq h ALA 620 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qpq h ALA 620 CO 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 179.25 178.86 1qpq h THR 621 N 0.09 1.16 0.00 0.00 1.03 -1.10 -0.27 112.91 113.81 1qpq h THR 621 Ca 0.05 -0.72 -0.06 0.00 -0.01 0.00 0.00 66.41 65.67 1qpq h THR 621 Cb 0.16 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 1qpq h THR 621 CO -0.00 0.21 -0.28 0.00 -0.01 0.00 0.00 175.52 175.44 1qpq h ALA 622 N 1.74 1.03 -0.13 0.00 0.00 -1.07 -0.63 119.26 120.19 1qpq h ALA 622 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1qpq h ALA 622 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qpq h ALA 622 CO 0.02 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 1qpq h ALA 623 N 1.72 0.20 -0.82 0.00 0.00 -0.72 -1.32 119.26 118.32 1qpq h ALA 623 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1qpq h ALA 623 Cb 0.78 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1qpq h ALA 623 CO 0.04 0.09 0.37 -1.49 0.00 0.00 0.00 179.25 178.26 1qpq h TRP 624 N -0.05 1.20 -0.82 0.00 4.06 -1.15 -0.16 115.95 119.02 1qpq h TRP 624 Ca 0.02 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 1qpq h TRP 624 Cb 0.69 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 1qpq h TRP 624 CO 0.09 0.88 0.40 0.28 -3.56 0.00 0.00 178.44 176.52 1qpq h VAL 625 N 1.17 1.25 -0.43 1.49 2.07 -0.97 -1.84 116.25 118.99 1qpq h VAL 625 Ca 0.28 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1qpq h VAL 625 Cb 0.15 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1qpq h VAL 625 CO -0.03 0.30 -0.27 0.44 0.02 0.00 0.00 177.57 178.03 1qpq h ASP 626 N 1.17 0.96 -0.92 0.57 3.32 -0.50 -3.13 116.42 117.88 1qpq h ASP 626 Ca 0.28 -0.38 0.11 0.00 0.02 0.00 0.00 57.03 57.06 1qpq h ASP 626 Cb 0.11 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.32 1qpq h ASP 626 CO -0.04 1.16 0.56 0.00 -1.72 0.00 0.00 179.24 179.20 1qpq h ALA 627 N 0.90 1.35 -0.55 3.45 0.00 -0.24 -2.45 119.26 121.73 1qpq h ALA 627 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qpq h ALA 627 Cb 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qpq h ALA 627 CO 0.07 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.84 1qpq n VAL 628 N -4.67 2.40 -1.94 0.00 0.24 -0.93 -4.31 118.33 109.12 1qpq n VAL 628 Ca 0.16 -1.26 -0.39 0.00 -2.04 0.00 0.00 64.34 60.81 1qpq n VAL 628 Cb 0.31 -0.22 0.01 0.00 -1.47 0.00 0.00 33.84 32.46 1qpq n VAL 628 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 629 N -2.48 3.75 0.00 7.34 3.52 -0.92 -2.76 118.95 127.40 1qpq s ARG 629 Ca 0.50 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 1qpq s ARG 629 Cb 0.37 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1qpq s ARG 629 CO 0.16 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1qpq n GLY 630 N 0.63 0.42 3.36 8.12 0.00 -1.26 -5.02 105.19 111.43 1qpq n GLY 630 Ca 0.05 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1qpq n GLY 630 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 631 N -2.00 1.03 -1.79 2.61 2.01 -1.11 -5.06 115.64 111.33 1qpq s THR 631 Ca 0.00 -2.03 0.24 0.00 0.31 0.00 0.00 61.69 60.22 1qpq s THR 631 Cb 0.00 -2.47 0.10 0.00 0.01 0.00 0.00 72.50 70.14 1qpq s THR 631 CO 0.00 -0.22 1.31 2.29 -0.69 0.00 0.00 174.62 177.31 1qpq n LYS 632 N -0.48 0.90 -2.06 4.92 2.85 -1.26 -4.97 118.16 118.06 1qpq n LYS 632 Ca -0.04 -0.66 -0.41 0.00 -1.05 0.00 0.00 58.31 56.16 1qpq n LYS 632 Cb 0.65 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.52 1qpq n LYS 632 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq s ALA 633 N -2.55 3.53 0.06 0.58 0.00 -1.26 -4.89 121.76 117.23 1qpq s ALA 633 Ca 0.20 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.52 1qpq s ALA 633 Cb 0.18 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1qpq s ALA 633 CO 0.57 -0.70 -0.08 0.15 0.00 0.00 0.00 175.76 175.70 1qpq s LYS 634 N -1.51 2.36 -0.11 0.00 3.01 -0.87 -4.95 119.74 117.67 1qpq s LYS 634 Ca 0.51 -0.87 -0.15 0.00 -1.01 0.00 0.00 55.97 54.45 1qpq s LYS 634 Cb -0.41 -2.41 -0.05 0.00 -1.01 0.00 0.00 37.83 33.95 1qpq s LYS 634 CO 0.52 0.55 0.37 0.42 0.51 0.00 0.00 175.35 177.72 1qpq s ILE 635 N -1.12 5.22 0.17 2.17 -1.09 -1.26 -0.74 121.20 124.55 1qpq s ILE 635 Ca 0.20 0.73 0.07 0.00 -2.23 0.00 0.00 60.65 59.41 1qpq s ILE 635 Cb -0.11 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1qpq s ILE 635 CO 0.11 0.42 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.97 1qpq s ARG 636 N 0.13 1.19 0.30 2.79 0.52 0.11 -0.77 118.95 123.22 1qpq s ARG 636 Ca 0.21 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1qpq s ARG 636 Cb -0.14 -0.97 0.05 0.00 0.52 0.00 0.00 34.95 34.41 1qpq s ARG 636 CO 0.08 0.16 0.41 -0.40 0.02 0.00 0.00 175.30 175.57 1qpq n ASP 637 N -0.07 0.81 -1.23 0.23 5.68 -1.20 -0.97 116.55 119.80 1qpq n ASP 637 Ca -0.11 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1qpq n ASP 637 Cb 0.59 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1qpq n ASP 637 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 638 N -1.81 0.00 -0.72 2.12 -2.24 -1.26 -4.40 114.28 105.97 1qpq n THR 638 Ca 0.08 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1qpq n THR 638 Cb 0.27 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.88 1qpq n THR 638 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 639 N 0.00 4.15 -2.27 -0.78 1.74 -1.26 -4.66 116.66 113.58 1qpq n ARG 639 Ca 0.00 -3.00 -0.42 0.00 -0.77 0.00 0.00 57.85 53.66 1qpq n ARG 639 Cb 0.00 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1qpq n ARG 639 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 640 N 0.99 3.94 -3.98 5.56 5.02 -1.26 -4.93 118.16 123.50 1qpq n LYS 640 Ca 0.27 -3.56 -0.25 0.00 -2.02 0.00 0.00 58.31 52.75 1qpq n LYS 640 Cb 1.00 -2.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.14 1qpq n LYS 640 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 641 N -0.23 2.15 -0.06 -0.18 -4.23 -1.26 -2.93 115.64 108.90 1qpq s THR 641 Ca 0.43 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1qpq s THR 641 Cb 0.12 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1qpq s THR 641 CO -0.02 0.00 0.40 -0.76 -0.54 0.00 0.00 174.62 173.70 1qpq s LEU 642 N -4.05 4.38 -0.27 4.79 2.01 -1.26 -4.98 118.68 119.29 1qpq s LEU 642 Ca 0.39 0.83 -0.35 0.00 0.01 0.00 0.00 54.13 55.00 1qpq s LEU 642 Cb 0.01 -2.57 -0.12 0.00 0.01 0.00 0.00 46.19 43.53 1qpq s LEU 642 CO 0.22 0.19 2.06 -0.81 1.01 0.00 0.00 176.35 179.03 1qpq n PRO 643 N 2.66 1.38 0.00 1.29 -0.04 -1.26 -0.39 135.00 138.65 1qpq n PRO 643 Ca -0.12 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1qpq n PRO 643 Cb 0.52 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1qpq n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 644 N 5.69 1.35 0.13 0.55 0.00 -1.26 -4.92 105.19 106.74 1qpq n GLY 644 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 1qpq n GLY 644 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 645 N 0.00 2.06 -0.22 0.99 4.77 0.47 -4.77 117.00 120.31 1qpq n LEU 645 Ca 0.00 -1.86 0.01 0.00 -0.03 0.00 0.00 56.01 54.13 1qpq n LEU 645 Cb 0.00 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1qpq n LEU 645 CO 0.00 0.51 0.99 -0.09 -1.33 0.00 0.00 177.39 177.47 1qpq h ARG 646 N 0.44 0.39 -0.26 3.23 2.43 -1.91 0.21 114.38 118.92 1qpq h ARG 646 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1qpq h ARG 646 Cb 0.49 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1qpq h ARG 646 CO 0.00 0.26 -0.08 0.00 -1.51 0.00 0.00 179.97 178.64 1qpq h ALA 647 N 1.46 1.39 0.03 2.80 0.00 -1.94 -0.53 119.26 122.47 1qpq h ALA 647 Ca 0.33 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1qpq h ALA 647 Cb 0.44 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qpq h ALA 647 CO -0.34 0.42 -0.76 -0.07 0.00 0.00 0.00 179.25 178.50 1qpq h LEU 648 N 0.39 0.62 -0.92 0.00 3.38 -1.62 -2.55 115.31 114.61 1qpq h LEU 648 Ca 0.08 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1qpq h LEU 648 Cb 0.38 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1qpq h LEU 648 CO 0.02 1.33 0.36 1.56 0.09 0.00 0.00 178.44 181.80 1qpq h GLN 649 N -0.01 1.14 -0.41 1.13 4.20 -0.86 -0.84 115.11 119.45 1qpq h GLN 649 Ca -0.10 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1qpq h GLN 649 Cb 1.47 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1qpq h GLN 649 CO 0.15 0.89 -0.09 0.87 -0.67 0.00 0.00 178.83 179.98 1qpq h LYS 650 N 1.12 0.71 -0.47 1.46 6.56 -1.15 -2.19 116.57 122.61 1qpq h LYS 650 Ca 0.27 -0.22 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 1qpq h LYS 650 Cb 0.14 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1qpq h LYS 650 CO -0.03 0.79 0.01 -0.92 -2.06 0.00 0.00 179.45 177.23 1qpq h TYR 651 N 0.65 0.90 -0.62 -1.35 3.20 -0.91 -2.56 116.97 116.29 1qpq h TYR 651 Ca 0.12 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1qpq h TYR 651 Cb 0.54 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1qpq h TYR 651 CO 0.03 0.86 0.17 0.00 -1.64 0.00 0.00 178.16 177.57 1qpq h ALA 652 N 0.92 1.14 -0.21 1.82 0.00 -0.69 -0.93 119.26 121.31 1qpq h ALA 652 Ca 0.13 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1qpq h ALA 652 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qpq h ALA 652 CO 0.02 0.59 -0.43 -0.39 0.00 0.00 0.00 179.25 179.04 1qpq h VAL 653 N 0.91 1.31 -0.69 0.00 -1.51 -1.27 -1.74 116.25 113.25 1qpq h VAL 653 Ca 0.20 -1.60 -0.04 0.00 -1.23 0.00 0.00 66.70 64.03 1qpq h VAL 653 Cb 0.30 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 1qpq h VAL 653 CO -0.00 0.50 0.29 -0.09 -1.23 0.00 0.00 177.57 177.04 1qpq h ARG 654 N 0.42 1.02 -0.29 5.19 2.43 -1.04 0.49 114.38 122.60 1qpq h ARG 654 Ca 0.03 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1qpq h ARG 654 Cb 0.92 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1qpq h ARG 654 CO 0.08 0.83 0.04 1.15 -1.51 0.00 0.00 179.97 180.56 1qpq h THR 655 N 0.98 1.16 -0.00 0.20 2.02 -0.85 -1.10 112.91 115.30 1qpq h THR 655 Ca 0.23 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1qpq h THR 655 Cb 0.18 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1qpq h THR 655 CO -0.02 0.20 -0.03 0.61 0.37 0.00 0.00 175.52 176.65 1qpq n GLY 656 N -1.07 -0.79 0.00 2.16 0.00 -0.68 -4.63 105.19 100.17 1qpq n GLY 656 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1qpq n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 657 N 1.13 0.85 3.85 -0.02 0.00 -0.42 -3.28 105.19 107.31 1qpq n GLY 657 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1qpq n GLY 657 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 658 N -1.46 0.31 3.11 -0.02 0.00 0.11 -4.82 105.19 102.42 1qpq n GLY 658 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 1qpq n GLY 658 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qpq s VAL 659 N -3.19 1.22 0.50 1.61 -7.23 0.05 -4.22 120.40 109.14 1qpq s VAL 659 Ca 0.67 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 60.00 1qpq s VAL 659 Cb -0.03 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1qpq s VAL 659 CO 0.45 0.35 1.20 0.20 -0.31 0.00 0.00 175.10 176.99 1qpq s ASN 660 N -0.08 5.84 0.00 4.85 0.01 -1.26 -3.25 114.94 121.05 1qpq s ASN 660 Ca -0.00 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.52 1qpq s ASN 660 Cb -0.09 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1qpq s ASN 660 CO 0.01 -1.15 0.00 1.57 -1.51 0.00 0.00 177.10 176.02 1qpq n HIS 661 N -0.82 0.00 -2.27 2.20 -0.00 -1.26 -4.85 115.22 108.22 1qpq n HIS 661 Ca 0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.93 1qpq n HIS 661 Cb 0.48 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1qpq n HIS 661 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 662 N 3.17 3.44 0.16 1.57 1.70 -1.26 -4.94 118.95 122.78 1qpq s ARG 662 Ca 0.00 1.45 0.24 0.00 -0.47 0.00 0.00 55.73 56.94 1qpq s ARG 662 Cb 0.00 -2.03 0.23 0.00 -0.57 0.00 0.00 34.95 32.58 1qpq s ARG 662 CO 0.00 -0.75 1.25 -0.07 -1.08 0.00 0.00 175.30 174.65 1qpq h LEU 663 N 1.08 0.00 0.00 -1.89 3.38 -1.95 -3.45 115.31 112.49 1qpq h LEU 663 Ca -0.49 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1qpq h LEU 663 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qpq h LEU 663 CO 0.57 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1qpq n GLY 664 N 1.28 1.97 0.19 0.83 0.00 -1.26 -5.04 105.19 103.16 1qpq n GLY 664 Ca 0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1qpq n GLY 664 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 665 N 0.00 0.66 -1.29 0.99 4.07 -1.95 -3.26 115.31 114.54 1qpq h LEU 665 Ca 0.00 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1qpq h LEU 665 Cb 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.54 1qpq h LEU 665 CO 0.00 1.23 -0.07 0.61 -1.08 0.00 0.00 178.44 179.13 1qpq n GLY 666 N 0.70 0.32 0.33 0.83 0.00 -1.26 -4.16 105.19 101.94 1qpq n GLY 666 Ca -0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 1qpq n GLY 666 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 667 N 3.14 1.02 -4.83 1.61 1.82 -1.96 -3.46 116.42 113.76 1qpq h ASP 667 Ca 0.00 -0.11 0.13 0.00 -0.39 0.00 0.00 57.03 56.66 1qpq h ASP 667 Cb 0.71 -0.26 -0.13 0.00 0.68 0.00 0.00 39.33 40.33 1qpq h ASP 667 CO 0.00 0.84 0.50 0.00 -1.61 0.00 0.00 179.24 178.97 1qpq s ALA 668 N -5.80 -1.79 0.12 -0.78 0.00 -1.26 -4.80 121.76 107.45 1qpq s ALA 668 Ca -0.13 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 1qpq s ALA 668 Cb 0.16 0.47 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1qpq s ALA 668 CO 0.82 -0.78 0.41 0.00 0.00 0.00 0.00 175.76 176.20 1qpq s ALA 669 N -3.14 3.73 -0.33 0.00 0.00 0.12 -4.82 121.76 117.32 1qpq s ALA 669 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1qpq s ALA 669 Cb -0.01 -2.25 0.16 0.00 0.00 0.00 0.00 23.12 21.02 1qpq s ALA 669 CO -0.06 0.59 0.40 -1.17 0.00 0.00 0.00 175.76 175.52 1qpq s LEU 670 N -2.25 -0.53 -0.23 0.00 0.20 -1.25 -1.61 118.68 113.01 1qpq s LEU 670 Ca 0.37 -0.86 -0.29 0.00 0.69 0.00 0.00 54.13 54.04 1qpq s LEU 670 Cb -0.13 0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 46.53 1qpq s LEU 670 CO 0.20 -0.31 1.43 -0.63 -0.29 0.00 0.00 176.35 176.75 1qpq s ILE 671 N 2.10 3.98 0.55 6.68 1.01 0.33 -4.92 121.20 130.92 1qpq s ILE 671 Ca 0.12 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.98 1qpq s ILE 671 Cb -0.13 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1qpq s ILE 671 CO -0.20 -0.32 0.63 -0.54 0.00 0.00 0.00 174.94 174.51 1qpq s LYS 672 N 4.20 2.32 0.36 2.79 1.02 -1.26 -0.28 119.74 128.89 1qpq s LYS 672 Ca 0.62 -1.75 0.06 0.00 0.02 0.00 0.00 55.97 54.92 1qpq s LYS 672 Cb -0.22 -2.45 0.74 0.00 -0.52 0.00 0.00 37.83 35.38 1qpq s LYS 672 CO 0.24 -0.73 1.95 0.38 -0.92 0.00 0.00 175.35 176.27 1qpq h ASP 673 N 0.43 0.68 1.21 2.83 2.03 -1.94 -1.20 116.42 120.46 1qpq h ASP 673 Ca -0.33 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 55.96 1qpq h ASP 673 Cb 1.29 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1qpq h ASP 673 CO 0.47 0.43 -0.05 0.78 -1.03 0.00 0.00 179.24 179.84 1qpq h ASN 674 N 0.76 0.00 0.10 4.15 2.35 -1.99 -2.07 115.58 118.88 1qpq h ASN 674 Ca 0.33 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.84 1qpq h ASN 674 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1qpq h ASN 674 CO -0.11 0.05 -1.17 0.45 -1.65 0.00 0.00 177.43 174.99 1qpq h HIS 675 N 0.00 0.37 -0.69 1.19 3.86 -1.64 -2.52 115.15 115.72 1qpq h HIS 675 Ca -0.00 -0.27 0.10 0.00 -1.16 0.00 0.00 60.37 59.04 1qpq h HIS 675 Cb 0.67 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.05 1qpq h HIS 675 CO 0.00 1.46 0.32 0.28 0.86 0.00 0.00 177.93 180.85 1qpq h VAL 676 N -0.45 0.81 0.35 2.45 2.07 -1.37 0.82 116.25 120.93 1qpq h VAL 676 Ca -0.26 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1qpq h VAL 676 Cb 1.62 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1qpq h VAL 676 CO 0.04 0.10 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 1qpq h ALA 677 N 1.44 -0.54 -0.41 1.67 0.00 -1.45 0.87 119.26 120.84 1qpq h ALA 677 Ca 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1qpq h ALA 677 Cb 0.40 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1qpq h ALA 677 CO -0.29 -0.82 0.27 0.00 0.00 0.00 0.00 179.25 178.41 1qpq h ALA 678 N 0.07 0.52 0.00 0.00 0.00 -0.97 -1.46 119.26 117.42 1qpq h ALA 678 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qpq h ALA 678 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qpq h ALA 678 CO 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1qpq n ALA 679 N -2.21 2.08 0.00 0.00 0.00 0.28 -4.89 120.51 115.78 1qpq n ALA 679 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qpq n ALA 679 Cb 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1qpq n ALA 679 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 680 N 0.91 2.77 3.42 0.00 0.00 0.29 -4.56 105.19 108.03 1qpq n GLY 680 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1qpq n GLY 680 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 681 N -1.01 -0.50 0.05 1.61 0.15 -0.86 -4.88 113.70 108.26 1qpq s SER 681 Ca 0.00 0.38 -0.24 0.00 0.70 0.00 0.00 55.95 56.79 1qpq s SER 681 Cb 0.00 0.49 -0.16 0.00 -1.71 0.00 0.00 66.02 64.64 1qpq s SER 681 CO 0.00 -0.65 1.58 0.58 1.20 0.00 0.00 173.24 175.95 1qpq h VAL 682 N 2.98 1.14 -0.54 4.45 2.07 -1.91 -0.45 116.25 123.98 1qpq h VAL 682 Ca -0.29 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1qpq h VAL 682 Cb 1.18 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1qpq h VAL 682 CO 0.40 0.11 0.07 0.58 0.02 0.00 0.00 177.57 178.75 1qpq h VAL 683 N -0.15 1.24 0.63 2.57 2.07 -1.96 -0.28 116.25 120.37 1qpq h VAL 683 Ca 0.00 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1qpq h VAL 683 Cb 0.17 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1qpq h VAL 683 CO -0.00 0.34 -0.30 0.44 0.02 0.00 0.00 177.57 178.07 1qpq h ASP 684 N 0.82 -0.71 -0.27 0.57 3.32 -1.83 0.94 116.42 119.26 1qpq h ASP 684 Ca 0.17 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.30 1qpq h ASP 684 Cb 0.39 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.06 1qpq h ASP 684 CO 0.01 -0.50 -0.16 0.00 -1.72 0.00 0.00 179.24 176.87 1qpq h ALA 685 N -0.48 0.04 -0.16 3.45 0.00 -0.98 0.40 119.26 121.53 1qpq h ALA 685 Ca -0.09 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1qpq h ALA 685 Cb 0.65 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1qpq h ALA 685 CO 0.14 -0.56 -0.05 1.25 0.00 0.00 0.00 179.25 180.03 1qpq h LEU 686 N -0.13 -0.18 -0.15 0.00 6.46 -0.87 -1.26 115.31 119.18 1qpq h LEU 686 Ca 0.15 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1qpq h LEU 686 Cb 0.35 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1qpq h LEU 686 CO -0.36 -0.07 0.09 0.03 -0.62 0.00 0.00 178.44 177.52 1qpq h ARG 687 N -0.02 0.19 -0.65 1.25 2.47 -0.40 -1.78 114.38 115.44 1qpq h ARG 687 Ca 0.08 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.91 1qpq h ARG 687 Cb 0.14 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.32 1qpq h ARG 687 CO -0.17 0.12 0.17 0.00 0.56 0.00 0.00 179.97 180.65 1qpq h ALA 688 N 1.06 0.81 -0.05 0.04 0.00 -0.46 -0.03 119.26 120.63 1qpq h ALA 688 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1qpq h ALA 688 Cb -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qpq h ALA 688 CO -0.02 -0.29 -0.59 0.28 0.00 0.00 0.00 179.25 178.63 1qpq h VAL 689 N 0.30 1.39 -0.50 0.00 2.07 -1.08 -1.89 116.25 116.55 1qpq h VAL 689 Ca 0.35 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.82 1qpq h VAL 689 Cb 0.53 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1qpq h VAL 689 CO -0.42 0.58 0.06 0.03 0.02 0.00 0.00 177.57 177.83 1qpq h ARG 690 N 0.13 0.84 -0.51 1.57 2.47 -0.22 -0.19 114.38 118.47 1qpq h ARG 690 Ca -0.01 -0.24 -0.13 0.00 -1.26 0.00 0.00 59.98 58.35 1qpq h ARG 690 Cb 1.08 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1qpq h ARG 690 CO 0.09 0.85 -0.18 -0.91 0.56 0.00 0.00 179.97 180.38 1qpq h ASN 691 N 0.71 1.04 -0.04 7.04 2.35 -0.96 -2.62 115.58 123.11 1qpq h ASN 691 Ca 0.15 -0.38 -0.25 0.00 -0.55 0.00 0.00 56.30 55.26 1qpq h ASN 691 Cb 0.44 -0.29 0.02 0.00 0.05 0.00 0.00 38.32 38.54 1qpq h ASN 691 CO 0.01 1.19 -0.97 0.00 -1.65 0.00 0.00 177.43 176.01 1qpq h ALA 692 N 0.89 0.18 -1.83 -0.83 0.00 -1.22 -3.40 119.26 113.05 1qpq h ALA 692 Ca 0.12 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 1qpq h ALA 692 Cb 0.76 0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.22 1qpq h ALA 692 CO 0.06 0.69 -1.05 0.00 0.00 0.00 0.00 179.25 178.94 1qpq n ALA 693 N -2.64 2.10 0.32 0.00 0.00 -0.09 -4.97 120.51 115.23 1qpq n ALA 693 Ca -0.10 -3.22 0.11 0.00 0.00 0.00 0.00 53.44 50.23 1qpq n ALA 693 Cb 0.84 -0.86 0.49 0.00 0.00 0.00 0.00 19.45 19.93 1qpq n ALA 693 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qpq n PRO 694 N 1.45 0.16 0.03 0.00 -0.04 -0.99 -1.97 135.00 133.65 1qpq n PRO 694 Ca 0.20 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 1qpq n PRO 694 Cb 0.54 -1.86 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1qpq n PRO 694 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qpq n ASP 695 N -2.18 0.61 -4.80 3.54 5.75 -1.26 -4.95 116.55 113.25 1qpq n ASP 695 Ca 0.01 -0.15 -0.39 0.00 -0.01 0.00 0.00 54.79 54.25 1qpq n ASP 695 Cb 0.16 0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 40.98 1qpq n ASP 695 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpq s LEU 696 N -4.06 4.52 0.44 -2.12 2.96 -0.83 -5.05 118.68 114.54 1qpq s LEU 696 Ca 0.03 1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 54.96 1qpq s LEU 696 Cb 0.14 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 1qpq s LEU 696 CO 0.80 0.25 1.33 -2.84 -1.32 0.00 0.00 176.35 174.58 1qpq s PRO 697 N -1.02 3.78 -0.07 0.98 0.02 -1.26 -4.82 135.00 132.62 1qpq s PRO 697 Ca 0.30 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.55 1qpq s PRO 697 Cb -0.20 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.69 1qpq s PRO 697 CO 0.19 -0.66 -0.15 0.00 -0.33 0.00 0.00 177.00 176.05 1qpq s GLU 699 N 0.50 1.92 -0.08 0.00 8.01 -0.63 -2.79 118.70 125.62 1qpq s GLU 699 Ca -0.14 -0.71 0.05 0.00 0.01 0.00 0.00 54.97 54.19 1qpq s GLU 699 Cb -0.15 -1.70 -0.00 0.00 -4.31 0.00 0.00 34.13 27.96 1qpq s GLU 699 CO 0.04 0.32 -0.24 0.54 0.01 0.00 0.00 175.26 175.94 1qpq s VAL 700 N -0.14 2.01 -0.26 2.63 0.11 -0.27 -0.51 120.40 123.97 1qpq s VAL 700 Ca -0.01 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 57.87 1qpq s VAL 700 Cb -0.11 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 1qpq s VAL 700 CO 0.02 0.55 0.44 -0.70 -3.33 0.00 0.00 175.10 172.08 1qpq s GLU 701 N 0.17 4.05 0.01 1.54 2.12 0.62 -1.37 118.70 125.83 1qpq s GLU 701 Ca -0.13 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.42 1qpq s GLU 701 Cb -0.16 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 1qpq s GLU 701 CO 0.07 -0.29 -0.13 0.14 -0.54 0.00 0.00 175.26 174.51 1qpq s VAL 702 N 2.11 3.20 -0.30 3.70 -7.23 -0.72 -4.71 120.40 116.45 1qpq s VAL 702 Ca 0.18 -0.93 0.12 0.00 -1.81 0.00 0.00 61.98 59.54 1qpq s VAL 702 Cb -0.16 -2.35 0.29 0.00 0.56 0.00 0.00 36.38 34.72 1qpq s VAL 702 CO 0.09 0.41 1.21 -0.90 -0.31 0.00 0.00 175.10 175.60 1qpq n ASP 703 N 1.69 2.81 -3.54 4.85 5.68 -1.26 -1.28 116.55 125.50 1qpq n ASP 703 Ca -0.16 -2.55 -0.11 0.00 -0.50 0.00 0.00 54.79 51.46 1qpq n ASP 703 Cb 0.52 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1qpq n ASP 703 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 704 N -1.74 -0.41 0.44 -1.12 1.04 -1.26 -4.93 113.70 105.72 1qpq s SER 704 Ca 0.25 -0.17 0.22 0.00 0.48 0.00 0.00 55.95 56.72 1qpq s SER 704 Cb 0.19 0.55 0.99 0.00 0.10 0.00 0.00 66.02 67.85 1qpq s SER 704 CO 0.07 -0.94 1.88 -0.07 0.98 0.00 0.00 173.24 175.16 1qpq h LEU 705 N 2.16 0.00 0.15 2.42 3.38 -1.96 -1.68 115.31 119.78 1qpq h LEU 705 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1qpq h LEU 705 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1qpq h LEU 705 CO 0.41 0.26 -0.07 -0.33 0.09 0.00 0.00 178.44 178.80 1qpq h GLU 706 N 0.00 -0.20 -0.93 1.13 3.07 -1.99 -1.41 114.58 114.25 1qpq h GLU 706 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qpq h GLU 706 Cb 0.64 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.55 1qpq h GLU 706 CO 0.03 0.13 0.60 1.96 -1.40 0.00 0.00 179.01 180.33 1qpq h GLN 707 N -0.55 1.24 -0.37 2.33 4.20 -1.94 -1.17 115.11 118.86 1qpq h GLN 707 Ca -0.02 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.64 1qpq h GLN 707 Cb 0.42 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1qpq h GLN 707 CO 0.03 0.83 0.14 1.25 -0.67 0.00 0.00 178.83 180.42 1qpq h LEU 708 N 1.27 0.17 -0.93 1.46 5.85 -1.17 -1.31 115.31 120.65 1qpq h LEU 708 Ca 0.34 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1qpq h LEU 708 Cb -0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1qpq h LEU 708 CO -0.07 0.14 0.55 0.44 -0.34 0.00 0.00 178.44 179.16 1qpq h ASP 709 N 0.31 1.13 -0.17 1.25 3.32 -0.11 -1.68 116.42 120.47 1qpq h ASP 709 Ca 0.16 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1qpq h ASP 709 Cb 0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1qpq h ASP 709 CO -0.15 0.87 -0.02 0.00 -1.72 0.00 0.00 179.24 178.22 1qpq h ALA 710 N 1.30 1.43 0.00 3.45 0.00 -0.73 -3.25 119.26 121.46 1qpq h ALA 710 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qpq h ALA 710 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1qpq h ALA 710 CO -0.06 0.40 -1.63 1.33 0.00 0.00 0.00 179.25 179.30 1qpq n VAL 711 N -4.29 0.23 -0.27 0.00 0.24 -0.55 -4.44 118.33 109.25 1qpq n VAL 711 Ca 0.01 -0.52 0.04 0.00 -2.04 0.00 0.00 64.34 61.83 1qpq n VAL 711 Cb 0.24 -0.13 0.17 0.00 -1.47 0.00 0.00 33.84 32.66 1qpq n VAL 711 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 712 N 0.00 0.54 -1.36 1.34 3.38 -1.34 -1.42 115.31 116.44 1qpq h LEU 712 Ca 0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1qpq h LEU 712 Cb 1.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1qpq h LEU 712 CO 0.00 0.28 -0.10 1.55 0.09 0.00 0.00 178.44 180.26 1qpq h PRO 713 N 0.66 0.30 0.00 1.13 0.13 -1.78 -2.20 132.00 130.24 1qpq h PRO 713 Ca 0.40 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1qpq h PRO 713 Cb 0.46 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1qpq h PRO 713 CO -0.30 0.41 0.00 0.93 -0.23 0.00 0.00 178.00 178.82 1qpq h GLU 714 N 0.29 0.00 -5.84 0.86 4.39 -1.50 -3.47 114.58 109.31 1qpq h GLU 714 Ca 0.06 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.41 1qpq h GLU 714 Cb 0.36 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.14 1qpq h GLU 714 CO 0.02 0.00 -0.87 1.63 -1.16 0.00 0.00 179.01 178.63 1qpq n LYS 715 N -2.31 -2.91 -1.38 2.33 5.02 -0.83 -4.98 118.16 113.10 1qpq n LYS 715 Ca 0.01 0.69 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 1qpq n LYS 715 Cb 0.16 -5.18 0.11 0.00 -0.02 0.00 0.00 35.03 30.10 1qpq n LYS 715 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 716 N -5.30 1.82 0.14 1.97 0.04 -1.26 -4.95 135.00 127.45 1qpq s PRO 716 Ca 0.32 0.79 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1qpq s PRO 716 Cb -0.07 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1qpq s PRO 716 CO 0.79 -1.84 1.74 0.93 0.04 0.00 0.00 177.00 178.66 1qpq h GLU 717 N -1.26 0.51 -3.59 4.56 3.07 -1.89 -3.42 114.58 112.56 1qpq h GLU 717 Ca -0.47 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.18 1qpq h GLU 717 Cb 1.27 -0.10 -0.21 0.00 -0.84 0.00 0.00 28.75 28.87 1qpq h GLU 717 CO 0.56 0.42 -0.52 -0.51 -1.40 0.00 0.00 179.01 177.56 1qpq s LEU 718 N -9.98 1.66 -0.06 1.33 1.43 -1.12 -2.13 118.68 109.81 1qpq s LEU 718 Ca -0.13 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1qpq s LEU 718 Cb 0.10 0.59 0.01 0.00 0.03 0.00 0.00 46.19 46.91 1qpq s LEU 718 CO 0.73 -0.36 -0.13 -0.63 0.23 0.00 0.00 176.35 176.19 1qpq s ILE 719 N -1.43 1.13 -0.27 -0.59 1.01 -0.12 -1.11 121.20 119.81 1qpq s ILE 719 Ca -0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1qpq s ILE 719 Cb -0.08 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1qpq s ILE 719 CO 0.01 0.35 0.13 -0.22 0.00 0.00 0.00 174.94 175.21 1qpq s LEU 720 N 0.49 3.78 -0.55 2.97 0.20 -0.47 -1.40 118.68 123.69 1qpq s LEU 720 Ca -0.11 -0.18 -0.25 0.00 0.69 0.00 0.00 54.13 54.27 1qpq s LEU 720 Cb -0.14 -2.01 0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1qpq s LEU 720 CO 0.03 -0.07 1.00 -0.76 -0.29 0.00 0.00 176.35 176.26 1qpq s LEU 721 N 1.67 3.94 -0.60 -0.68 1.43 0.75 -1.76 118.68 123.45 1qpq s LEU 721 Ca 0.06 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 1qpq s LEU 721 Cb -0.16 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.19 1qpq s LEU 721 CO 0.07 -1.27 0.91 -0.62 0.23 0.00 0.00 176.35 175.66 1qpq s ASP 722 N 2.83 6.24 -1.01 2.29 2.15 -0.41 -1.98 116.67 126.79 1qpq s ASP 722 Ca 0.34 -0.75 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 1qpq s ASP 722 Cb -0.11 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1qpq s ASP 722 CO 0.21 -1.28 0.87 0.59 -0.17 0.00 0.00 175.17 175.39 1qpq n ASN 723 N 7.38 -4.14 -4.83 -0.34 3.02 -0.00 -4.66 115.26 111.69 1qpq n ASN 723 Ca -0.02 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.75 1qpq n ASN 723 Cb 0.46 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 1qpq n ASN 723 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 724 N -3.26 3.45 0.76 3.10 0.40 -1.26 -4.88 117.98 116.29 1qpq s PHE 724 Ca 0.28 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 57.83 1qpq s PHE 724 Cb -0.13 -2.60 0.05 0.00 0.51 0.00 0.00 43.02 40.85 1qpq s PHE 724 CO 0.57 0.14 1.10 0.00 0.70 0.00 0.00 175.22 177.73 1qpq s ALA 725 N -1.87 2.49 0.36 5.36 0.00 -1.26 -4.82 121.76 122.02 1qpq s ALA 725 Ca 0.52 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1qpq s ALA 725 Cb -0.12 -3.08 0.68 0.00 0.00 0.00 0.00 23.12 20.60 1qpq s ALA 725 CO 0.18 -1.51 2.01 0.28 0.00 0.00 0.00 175.76 176.72 1qpq h VAL 726 N -0.93 1.15 0.00 0.00 2.07 -1.97 -0.70 116.25 115.87 1qpq h VAL 726 Ca -0.46 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1qpq h VAL 726 Cb 1.26 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1qpq h VAL 726 CO 0.61 0.16 -0.39 4.11 0.02 0.00 0.00 177.57 182.07 1qpq h TRP 727 N 0.77 0.00 0.05 1.57 5.08 -1.99 -1.00 115.95 120.42 1qpq h TRP 727 Ca 0.21 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.94 1qpq h TRP 727 Cb -0.05 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.10 1qpq h TRP 727 CO 0.00 0.39 -1.03 1.96 -1.28 0.00 0.00 178.44 178.48 1qpq h GLN 728 N 0.00 0.28 -0.52 0.12 4.20 -1.73 -2.75 115.11 114.71 1qpq h GLN 728 Ca -0.00 -0.36 -0.12 0.00 0.06 0.00 0.00 58.65 58.22 1qpq h GLN 728 Cb 0.72 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1qpq h GLN 728 CO 0.05 1.10 -0.15 1.15 -0.67 0.00 0.00 178.83 180.30 1qpq h THR 729 N 0.13 1.27 -0.67 -0.54 2.02 -0.67 -0.49 112.91 113.96 1qpq h THR 729 Ca -0.08 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 1qpq h THR 729 Cb 1.70 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1qpq h THR 729 CO 0.17 0.46 0.29 -0.61 0.37 0.00 0.00 175.52 176.20 1qpq h GLN 730 N 0.89 0.98 -0.45 6.66 5.75 -1.23 -0.97 115.11 126.74 1qpq h GLN 730 Ca 0.13 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1qpq h GLN 730 Cb 0.73 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1qpq h GLN 730 CO 0.06 0.80 0.07 1.15 -2.65 0.00 0.00 178.83 178.26 1qpq h THR 731 N 0.93 1.25 -0.61 2.39 2.02 -1.25 -1.62 112.91 116.02 1qpq h THR 731 Ca 0.23 -0.90 0.08 0.00 0.77 0.00 0.00 66.41 66.58 1qpq h THR 731 Cb 0.16 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1qpq h THR 731 CO -0.02 0.32 0.28 0.00 0.37 0.00 0.00 175.52 176.47 1qpq h ALA 732 N 0.95 0.81 -0.56 6.16 0.00 -0.77 0.23 119.26 126.08 1qpq h ALA 732 Ca 0.14 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1qpq h ALA 732 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qpq h ALA 732 CO 0.01 -0.10 0.00 0.28 0.00 0.00 0.00 179.25 179.44 1qpq h VAL 733 N 0.52 1.26 -0.31 0.00 2.07 -1.03 -1.13 116.25 117.63 1qpq h VAL 733 Ca 0.29 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1qpq h VAL 733 Cb 0.28 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1qpq h VAL 733 CO -0.24 0.40 -0.01 1.56 0.02 0.00 0.00 177.57 179.30 1qpq h GLN 734 N 0.89 0.56 -0.42 1.57 4.20 -0.19 -0.69 115.11 121.02 1qpq h GLN 734 Ca 0.16 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1qpq h GLN 734 Cb 0.52 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1qpq h GLN 734 CO 0.03 0.70 0.17 0.00 -0.67 0.00 0.00 178.83 179.05 1qpq h ARG 735 N 0.36 0.63 -0.50 1.46 3.08 -0.43 -2.75 114.38 116.23 1qpq h ARG 735 Ca 0.09 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1qpq h ARG 735 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1qpq h ARG 735 CO 0.02 0.59 0.28 -0.09 -1.07 0.00 0.00 179.97 179.69 1qpq h ARG 736 N 0.54 0.70 0.00 0.04 1.12 -1.12 -0.69 114.38 114.96 1qpq h ARG 736 Ca 0.14 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1qpq h ARG 736 Cb 0.19 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 30.01 1qpq h ARG 736 CO -0.01 0.54 -0.06 -0.44 -3.11 0.00 0.00 179.97 176.89 1qpq h ASP 737 N 0.67 0.00 0.35 -3.80 3.32 -0.95 -0.42 116.42 115.59 1qpq h ASP 737 Ca 0.18 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.91 1qpq h ASP 737 Cb 0.04 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1qpq h ASP 737 CO -0.03 0.06 -1.89 -1.54 -1.72 0.00 0.00 179.24 174.12 1qpq n SER 738 N -4.43 0.72 -0.11 6.45 3.41 -1.04 -4.46 113.62 114.16 1qpq n SER 738 Ca -0.03 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1qpq n SER 738 Cb 0.14 0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1qpq n SER 738 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qpq n ARG 739 N -2.99 0.76 -2.96 4.33 1.74 -0.29 -4.87 116.66 112.39 1qpq n ARG 739 Ca -0.22 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.78 1qpq n ARG 739 Cb 1.08 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 31.03 1qpq n ARG 739 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 740 N -2.96 0.38 -0.44 7.54 0.00 -0.19 -4.97 120.51 119.86 1qpq n ALA 740 Ca -0.37 -2.34 0.39 0.00 0.00 0.00 0.00 53.44 51.13 1qpq n ALA 740 Cb 1.03 -1.09 0.74 0.00 0.00 0.00 0.00 19.45 20.13 1qpq n ALA 740 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 741 N 4.00 0.04 -0.00 0.00 0.11 -1.71 -0.69 132.00 133.75 1qpq h PRO 741 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qpq h PRO 741 Cb 0.96 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1qpq h PRO 741 CO 0.39 0.03 -0.03 0.25 -0.21 0.00 0.00 178.00 178.43 1qpq n THR 742 N -4.21 0.00 -2.94 -1.15 -2.24 -1.26 -4.82 114.28 97.66 1qpq n THR 742 Ca 0.32 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.70 1qpq n THR 742 Cb 1.45 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 1qpq n THR 742 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qpq s VAL 743 N -2.82 4.53 -0.12 2.28 1.01 -0.27 -4.95 120.40 120.05 1qpq s VAL 743 Ca 0.20 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 1qpq s VAL 743 Cb 0.19 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1qpq s VAL 743 CO 0.51 0.43 0.10 -0.04 0.00 0.00 0.00 175.10 176.10 1qpq s MET 744 N -0.53 3.44 -0.12 2.72 -1.94 -0.91 -5.00 119.30 116.97 1qpq s MET 744 Ca 0.39 -0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 54.13 1qpq s MET 744 Cb -0.22 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1qpq s MET 744 CO 0.26 0.69 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.44 1qpq s LEU 745 N -0.79 3.49 -0.08 -0.03 1.02 -1.26 -0.94 118.68 120.09 1qpq s LEU 745 Ca 0.13 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 1qpq s LEU 745 Cb -0.12 -1.82 0.03 0.00 0.02 0.00 0.00 46.19 44.30 1qpq s LEU 745 CO 0.03 0.28 -0.01 -0.70 0.02 0.00 0.00 176.35 175.97 1qpq s GLU 746 N -0.32 0.75 0.13 1.70 2.12 -0.49 -0.57 118.70 122.01 1qpq s GLU 746 Ca 0.06 0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 1qpq s GLU 746 Cb -0.12 -1.05 -0.07 0.00 0.26 0.00 0.00 34.13 33.14 1qpq s GLU 746 CO 0.02 -0.29 0.73 -1.12 -0.54 0.00 0.00 175.26 174.06 1qpq s SER 747 N 1.89 7.29 -0.17 -1.70 0.01 -0.64 -0.18 113.70 120.20 1qpq s SER 747 Ca 0.04 1.53 -0.13 0.00 1.31 0.00 0.00 55.95 58.70 1qpq s SER 747 Cb -0.12 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1qpq s SER 747 CO -0.05 0.19 0.44 -0.55 0.41 0.00 0.00 173.24 173.68 1qpq s SER 748 N -0.96 -0.50 0.00 2.44 0.15 -0.84 -0.19 113.70 113.81 1qpq s SER 748 Ca 0.35 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1qpq s SER 748 Cb -0.22 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1qpq s SER 748 CO 0.24 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1qpq n GLY 749 N 3.41 0.78 2.39 9.45 0.00 -1.26 -0.82 105.19 119.13 1qpq n GLY 749 Ca -0.17 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1qpq n GLY 749 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 750 N 0.00 4.64 3.78 -0.02 0.00 -1.26 -4.91 105.19 107.42 1qpq n GLY 750 Ca 0.00 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1qpq n GLY 750 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 751 N -1.17 4.29 0.10 0.99 1.02 -1.26 -5.04 118.68 117.61 1qpq s LEU 751 Ca 0.61 0.43 0.04 0.00 0.02 0.00 0.00 54.13 55.22 1qpq s LEU 751 Cb 0.21 -2.20 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1qpq s LEU 751 CO -0.09 0.23 -0.10 -0.94 0.02 0.00 0.00 176.35 175.48 1qpq s SER 752 N -0.10 1.44 0.54 2.29 1.04 -1.26 -5.02 113.70 112.62 1qpq s SER 752 Ca 0.13 -0.82 0.20 0.00 0.48 0.00 0.00 55.95 55.94 1qpq s SER 752 Cb -0.12 0.01 1.40 0.00 0.10 0.00 0.00 66.02 67.41 1qpq s SER 752 CO 0.02 -0.27 2.16 0.25 0.98 0.00 0.00 173.24 176.39 1qpq h LEU 753 N 3.55 0.00 -0.49 2.42 5.85 -1.99 0.30 115.31 124.95 1qpq h LEU 753 Ca -0.37 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.18 1qpq h LEU 753 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qpq h LEU 753 CO 0.53 0.00 -0.72 1.56 -0.34 0.00 0.00 178.44 179.47 1qpq h GLN 754 N 0.00 0.20 0.00 1.25 1.08 -2.02 -3.21 115.11 112.41 1qpq h GLN 754 Ca 0.01 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1qpq h GLN 754 Cb 0.06 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1qpq h GLN 754 CO -0.00 0.84 -0.92 0.25 -0.95 0.00 0.00 178.83 178.05 1qpq n THR 755 N -3.77 0.04 -0.29 -0.54 -2.24 -0.51 -4.58 114.28 102.39 1qpq n THR 755 Ca -0.03 -0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1qpq n THR 755 Cb 0.70 0.55 0.27 0.00 -2.10 0.00 0.00 70.33 69.76 1qpq n THR 755 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 756 N 2.84 1.31 -0.24 6.98 0.00 -0.45 -1.42 119.26 128.28 1qpq h ALA 756 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1qpq h ALA 756 Cb 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qpq h ALA 756 CO 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 179.25 178.61 1qpq h ALA 757 N 1.68 1.01 0.07 0.00 0.00 -1.80 -0.42 119.26 119.81 1qpq h ALA 757 Ca 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qpq h ALA 757 Cb 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1qpq h ALA 757 CO -0.52 0.59 -0.03 1.15 0.00 0.00 0.00 179.25 180.44 1qpq h THR 758 N 0.43 0.93 -0.39 0.00 2.02 -1.58 0.21 112.91 114.53 1qpq h THR 758 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1qpq h THR 758 Cb 0.76 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1qpq h THR 758 CO 0.06 0.00 0.14 1.88 0.37 0.00 0.00 175.52 177.97 1qpq h TYR 759 N -0.09 0.61 -0.86 3.16 -1.99 -1.29 -2.93 116.97 113.58 1qpq h TYR 759 Ca -0.01 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.73 1qpq h TYR 759 Cb 0.07 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 38.56 1qpq h TYR 759 CO -0.08 0.57 0.54 0.00 -0.00 0.00 0.00 178.16 179.19 1qpq h ALA 760 N 0.98 1.18 0.00 3.88 0.00 -0.69 -1.14 119.26 123.48 1qpq h ALA 760 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qpq h ALA 760 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qpq h ALA 760 CO -0.01 0.29 -0.00 0.93 0.00 0.00 0.00 179.25 180.46 1qpq h GLU 761 N 0.99 0.00 0.00 0.00 5.08 -0.40 -1.63 114.58 118.62 1qpq h GLU 761 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1qpq h GLU 761 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1qpq h GLU 761 CO -0.17 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.63 1qpq h THR 762 N 0.00 0.00 0.00 1.13 1.35 -1.17 -3.46 112.91 110.76 1qpq h THR 762 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1qpq h THR 762 Cb 0.08 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1qpq h THR 762 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1qpq n GLY 763 N -0.21 0.77 3.53 5.82 0.00 -0.61 -4.82 105.19 109.67 1qpq n GLY 763 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qpq n GLY 763 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qpq n VAL 764 N -1.64 1.14 0.03 1.61 0.24 -1.25 -4.94 118.33 113.52 1qpq n VAL 764 Ca 0.00 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1qpq n VAL 764 Cb 0.00 -0.85 -0.13 0.00 -1.47 0.00 0.00 33.84 31.38 1qpq n VAL 764 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qpq h ASP 765 N -1.03 0.14 -5.30 -1.34 3.32 -1.19 -3.35 116.42 107.67 1qpq h ASP 765 Ca -0.45 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.26 1qpq h ASP 765 Cb 1.31 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.67 1qpq h ASP 765 CO 0.41 1.18 -0.48 -0.31 -1.72 0.00 0.00 179.24 178.32 1qpq s TYR 766 N -2.64 0.54 -0.15 4.55 2.02 -0.81 -2.05 117.35 118.81 1qpq s TYR 766 Ca -0.05 -0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 55.71 1qpq s TYR 766 Cb 0.08 -0.24 0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1qpq s TYR 766 CO 0.83 -0.59 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.66 1qpq s LEU 767 N -2.98 1.47 -0.33 -1.29 1.02 0.08 -1.62 118.68 115.03 1qpq s LEU 767 Ca 0.17 -0.59 -0.16 0.00 0.02 0.00 0.00 54.13 53.57 1qpq s LEU 767 Cb 0.05 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.40 1qpq s LEU 767 CO -0.02 -0.18 0.41 0.00 0.02 0.00 0.00 176.35 176.57 1qpq s ALA 768 N 1.68 3.51 -0.35 4.21 0.00 0.74 0.05 121.76 131.60 1qpq s ALA 768 Ca 0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1qpq s ALA 768 Cb -0.15 -2.85 0.08 0.00 0.00 0.00 0.00 23.12 20.20 1qpq s ALA 768 CO -0.08 -1.02 0.10 0.08 0.00 0.00 0.00 175.76 174.84 1qpq s VAL 769 N 2.13 3.19 0.21 0.00 1.01 -0.14 -4.43 120.40 122.37 1qpq s VAL 769 Ca 0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 1qpq s VAL 769 Cb -0.16 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1qpq s VAL 769 CO 0.12 -0.38 1.65 1.23 0.00 0.00 0.00 175.10 177.72 1qpq h GLY 770 N 8.03 0.91 1.60 4.51 0.00 -1.92 -2.97 103.07 113.24 1qpq h GLY 770 Ca -0.17 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.45 1qpq h GLY 770 CO 0.61 0.67 0.17 0.00 0.00 0.00 0.00 176.54 177.99 1qpq h ALA 771 N 1.08 1.52 -0.67 3.60 0.00 -1.93 -0.48 119.26 122.38 1qpq h ALA 771 Ca 0.12 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1qpq h ALA 771 Cb 0.66 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1qpq h ALA 771 CO 0.05 -0.22 0.45 -0.07 0.00 0.00 0.00 179.25 179.45 1qpq h LEU 772 N 0.00 0.43 0.00 0.00 4.07 -1.83 -3.33 115.31 114.64 1qpq h LEU 772 Ca 0.05 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.83 1qpq h LEU 772 Cb 0.39 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1qpq h LEU 772 CO -0.00 0.25 -1.72 0.35 -1.08 0.00 0.00 178.44 176.24 1qpq n THR 773 N -4.48 0.72 -2.49 0.22 -2.24 -0.27 -4.73 114.28 101.01 1qpq n THR 773 Ca 0.11 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1qpq n THR 773 Cb 0.40 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 67.75 1qpq n THR 773 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 774 N -2.25 3.05 -1.34 4.78 -3.43 -0.67 -4.47 115.29 110.95 1qpq s HIS 774 Ca -0.15 0.35 -0.01 0.00 -0.80 0.00 0.00 55.06 54.45 1qpq s HIS 774 Cb 0.04 -2.81 0.01 0.00 -1.43 0.00 0.00 32.58 28.39 1qpq s HIS 774 CO 0.31 -0.94 0.67 0.43 -2.00 0.00 0.00 174.74 173.22 1qpq n SER 775 N -2.54 -1.26 -4.84 7.38 7.64 -1.26 -4.42 113.62 114.32 1qpq n SER 775 Ca 0.06 -0.85 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 1qpq n SER 775 Cb 0.59 -3.88 -0.06 0.00 -1.01 0.00 0.00 64.21 59.85 1qpq n SER 775 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qpq s VAL 776 N -3.69 5.10 -0.21 0.44 -7.23 -1.26 -4.81 120.40 108.74 1qpq s VAL 776 Ca 0.05 -0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 1qpq s VAL 776 Cb -0.02 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1qpq s VAL 776 CO 0.83 0.38 0.01 -0.60 -0.31 0.00 0.00 175.10 175.41 1qpq s ARG 777 N -1.70 3.62 0.39 4.82 3.52 -1.26 -5.07 118.95 123.27 1qpq s ARG 777 Ca 0.23 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.04 1qpq s ARG 777 Cb -0.12 -3.12 -0.11 0.00 -1.56 0.00 0.00 34.95 30.04 1qpq s ARG 777 CO 0.14 -0.02 1.46 1.55 -0.81 0.00 0.00 175.30 177.63 1qpq n VAL 778 N 4.35 2.13 -2.78 7.11 3.14 -1.26 -4.39 118.33 126.63 1qpq n VAL 778 Ca -0.17 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.29 1qpq n VAL 778 Cb 0.52 -1.92 -0.03 0.00 -1.06 0.00 0.00 33.84 31.34 1qpq n VAL 778 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1qpq s LEU 779 N -2.08 4.22 -0.30 6.55 2.96 -0.64 -4.88 118.68 124.52 1qpq s LEU 779 Ca 0.55 1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 55.55 1qpq s LEU 779 Cb -0.48 -3.41 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 1qpq s LEU 779 CO 0.63 -0.41 1.36 -0.62 -1.32 0.00 0.00 176.35 175.98 1qpq s ASP 780 N 1.10 6.60 0.01 3.68 2.15 -1.26 -4.52 116.67 124.43 1qpq s ASP 780 Ca 0.44 1.23 0.04 0.00 0.43 0.00 0.00 52.55 54.69 1qpq s ASP 780 Cb -0.18 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 1qpq s ASP 780 CO 0.16 -1.14 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.26 1qpq s ILE 781 N 4.60 0.96 0.24 4.11 1.01 -1.26 -0.00 121.20 130.85 1qpq s ILE 781 Ca 0.59 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1qpq s ILE 781 Cb -0.18 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1qpq s ILE 781 CO 0.25 0.13 -0.09 -0.83 0.00 0.00 0.00 174.94 174.41 1qpq s GLY 782 N -0.64 1.61 -0.35 6.18 0.00 0.88 -4.92 107.32 110.08 1qpq s GLY 782 Ca 0.03 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 42.89 1qpq s GLY 782 CO 0.00 -1.77 0.14 -2.27 0.00 0.00 0.00 173.10 169.20 1qpq s LEU 783 N -3.36 4.42 -0.23 0.66 2.96 -1.26 -0.11 118.68 121.76 1qpq s LEU 783 Ca 0.26 -1.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 1qpq s LEU 783 Cb 0.02 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1qpq s LEU 783 CO 0.09 -0.33 0.10 -1.81 -1.32 0.00 0.00 176.35 173.08 1qpq s ASP 784 N 1.47 5.62 0.00 3.68 1.01 0.13 -4.90 116.67 123.68 1qpq s ASP 784 Ca 0.00 -0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.29 1qpq s ASP 784 Cb -0.19 -2.00 0.04 0.00 1.01 0.00 0.00 42.92 41.78 1qpq s ASP 784 CO 0.04 0.06 0.65 0.23 0.21 0.00 0.00 175.17 176.36