#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xer h PRO 516 N 0.00 0.26 -0.07 -0.67 0.11 -2.06 0.87 132.00 130.44 2xer h PRO 516 Ca 0.00 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 2xer h PRO 516 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2xer h PRO 516 CO 0.00 0.17 -0.53 0.38 -0.21 0.00 0.00 178.00 177.81 2xer h ASP 517 N 0.26 0.22 0.56 -2.05 3.04 -2.05 -2.35 116.42 114.05 2xer h ASP 517 Ca 0.34 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 2xer h ASP 517 Cb 0.51 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 2xer h ASP 517 CO -0.43 0.71 0.00 0.50 -2.04 0.00 0.00 179.24 177.98 2xer h LYS 518 N 0.16 0.00 0.13 4.15 3.64 -1.44 -1.04 116.57 122.17 2xer h LYS 518 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 2xer h LYS 518 Cb 0.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2xer h LYS 518 CO 0.08 0.00 -1.77 -0.09 -2.27 0.00 0.00 179.45 175.40 2xer h ARG 519 N 0.00 0.28 -0.51 1.90 9.65 -0.56 -3.33 114.38 121.82 2xer h ARG 519 Ca 0.00 -0.48 -0.04 0.00 -1.10 0.00 0.00 59.98 58.36 2xer h ARG 519 Cb 0.28 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2xer h ARG 519 CO 0.00 1.23 0.17 -0.09 2.80 0.00 0.00 179.97 184.08 2xer h ARG 520 N -0.07 0.78 0.00 0.20 2.43 -1.09 -2.84 114.38 113.79 2xer h ARG 520 Ca -0.38 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.60 2xer h ARG 520 Cb 1.95 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.38 2xer h ARG 520 CO 0.09 0.71 -0.16 0.87 -1.51 0.00 0.00 179.97 179.97 2xer h LYS 521 N 0.68 0.00 -0.54 0.20 1.57 -1.38 0.21 116.57 117.31 2xer h LYS 521 Ca 0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2xer h LYS 521 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2xer h LYS 521 CO -0.01 0.16 -0.12 1.15 -0.57 0.00 0.00 179.45 180.06 2xer h THR 522 N 0.00 1.27 -0.34 -0.16 2.02 -1.61 -1.66 112.91 112.42 2xer h THR 522 Ca -0.00 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 2xer h THR 522 Cb 0.31 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2xer h THR 522 CO 0.02 0.45 -0.05 -0.07 0.37 0.00 0.00 175.52 176.24 2xer h LEU 523 N 0.92 0.63 -0.33 2.58 3.38 -1.02 -1.45 115.31 120.02 2xer h LEU 523 Ca 0.14 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2xer h LEU 523 Cb 0.69 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2xer h LEU 523 CO 0.05 0.83 0.06 0.58 0.09 0.00 0.00 178.44 180.05 2xer h VAL 524 N 0.42 0.83 -0.87 1.22 2.07 -0.93 -0.42 116.25 118.57 2xer h VAL 524 Ca 0.09 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2xer h VAL 524 Cb 0.54 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2xer h VAL 524 CO 0.03 0.03 0.52 0.40 0.02 0.00 0.00 177.57 178.57 2xer h ILE 525 N 0.17 1.24 -0.65 4.57 1.08 -1.21 -1.04 117.51 121.68 2xer h ILE 525 Ca 0.16 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2xer h ILE 525 Cb 0.18 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 2xer h ILE 525 CO -0.21 0.26 0.23 0.40 -0.69 0.00 0.00 178.15 178.14 2xer h ILE 526 N 1.21 1.23 -0.08 -0.67 2.04 -0.47 -0.28 117.51 120.49 2xer h ILE 526 Ca 0.31 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 2xer h ILE 526 Cb -0.03 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2xer h ILE 526 CO -0.06 0.30 -0.11 -0.33 0.00 0.00 0.00 178.15 177.95 2xer h GLU 527 N 0.94 0.22 -0.83 2.37 4.39 -0.47 0.13 114.58 121.33 2xer h GLU 527 Ca 0.22 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2xer h GLU 527 Cb 0.23 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2xer h GLU 527 CO -0.01 0.68 0.55 0.87 -1.16 0.00 0.00 179.01 179.94 2xer h LYS 528 N -0.23 1.08 -0.23 2.33 1.57 -1.14 -1.11 116.57 118.84 2xer h LYS 528 Ca 0.01 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2xer h LYS 528 Cb 0.66 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2xer h LYS 528 CO 0.03 0.71 -0.39 1.15 -0.57 0.00 0.00 179.45 180.39 2xer h THR 529 N 1.11 1.30 -0.12 -0.16 2.02 -1.02 -3.02 112.91 113.02 2xer h THR 529 Ca 0.31 -1.53 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 2xer h THR 529 Cb -0.12 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2xer h THR 529 CO -0.07 0.48 -0.39 0.22 0.37 0.00 0.00 175.52 176.13 2xer h TYR 530 N 0.44 0.31 -0.45 3.16 3.20 -0.16 -1.90 116.97 121.58 2xer h TYR 530 Ca 0.04 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2xer h TYR 530 Cb 0.87 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2xer h TYR 530 CO 0.03 0.63 0.20 0.77 -1.64 0.00 0.00 178.16 178.15 2xer h SER 531 N 0.23 0.59 -0.50 -2.11 0.02 -1.10 -0.71 113.55 109.97 2xer h SER 531 Ca 0.02 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2xer h SER 531 Cb 0.80 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2xer h SER 531 CO 0.06 0.57 0.31 -0.07 -1.14 0.00 0.00 176.83 176.57 2xer h LEU 532 N 0.58 0.59 0.52 5.07 3.38 -1.36 0.36 115.31 124.45 2xer h LEU 532 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2xer h LEU 532 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2xer h LEU 532 CO -0.02 0.45 -0.36 0.25 0.09 0.00 0.00 178.44 178.86 2xer h LEU 533 N 0.67 -0.91 -1.00 1.67 5.85 -1.18 0.21 115.31 120.62 2xer h LEU 533 Ca 0.18 0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.17 2xer h LEU 533 Cb -0.04 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 2xer h LEU 533 CO -0.04 -0.54 0.60 -0.07 -0.34 0.00 0.00 178.44 178.05 2xer h LEU 534 N -0.85 0.74 -0.58 2.25 4.07 -0.95 0.24 115.31 120.24 2xer h LEU 534 Ca -0.06 0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 2xer h LEU 534 Cb 0.70 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2xer h LEU 534 CO 0.04 0.22 0.09 -0.78 -1.08 0.00 0.00 178.44 176.93 2xer h ASP 535 N 0.70 0.93 -0.17 -0.43 1.82 0.60 0.12 116.42 119.99 2xer h ASP 535 Ca 0.60 -0.26 -0.14 0.00 -0.39 0.00 0.00 57.03 56.84 2xer h ASP 535 Cb 1.00 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2xer h ASP 535 CO -0.42 0.95 -0.44 0.58 -1.61 0.00 0.00 179.24 178.30 2xer h VAL 536 N 0.86 1.34 -0.25 2.25 2.07 0.72 -2.70 116.25 120.55 2xer h VAL 536 Ca 0.18 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 2xer h VAL 536 Cb 0.42 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2xer h VAL 536 CO 0.01 0.52 -0.07 -0.33 0.02 0.00 0.00 177.57 177.73 2xer h GLU 537 N 0.25 0.39 -0.54 1.57 5.08 -0.50 -1.97 114.58 118.85 2xer h GLU 537 Ca -0.01 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2xer h GLU 537 Cb 1.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2xer h GLU 537 CO 0.10 0.47 0.03 0.22 -1.00 0.00 0.00 179.01 178.83 2xer h ASP 538 N 0.37 0.91 -0.65 1.42 3.58 -0.72 -0.20 116.42 121.11 2xer h ASP 538 Ca 0.08 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 2xer h ASP 538 Cb 0.36 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2xer h ASP 538 CO 0.02 0.97 0.32 0.22 -2.88 0.00 0.00 179.24 177.88 2xer h TYR 539 N 0.81 0.94 -0.59 0.28 5.03 -1.13 0.21 116.97 122.53 2xer h TYR 539 Ca 0.16 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 2xer h TYR 539 Cb 0.49 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 2xer h TYR 539 CO 0.04 0.70 0.34 0.93 -1.32 0.00 0.00 178.16 178.85 2xer h GLU 540 N 0.90 0.82 -0.03 1.82 4.39 -1.11 0.36 114.58 121.73 2xer h GLU 540 Ca 0.22 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2xer h GLU 540 Cb 0.11 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2xer h GLU 540 CO -0.03 0.61 0.01 -0.09 -1.16 0.00 0.00 179.01 178.35 2xer h ARG 541 N 0.80 0.05 -0.14 2.33 2.43 -0.70 -2.61 114.38 116.53 2xer h ARG 541 Ca 0.21 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2xer h ARG 541 Cb 0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2xer h ARG 541 CO -0.04 0.25 -0.15 0.00 -1.51 0.00 0.00 179.97 178.53 2xer h ARG 542 N -0.17 0.22 -0.31 0.20 3.08 -0.42 -3.10 114.38 113.88 2xer h ARG 542 Ca 0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2xer h ARG 542 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2xer h ARG 542 CO 0.00 0.38 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.22 2xer h TYR 543 N 0.21 0.74 -0.63 3.04 3.20 -0.05 -0.61 116.97 122.86 2xer h TYR 543 Ca 0.04 -0.18 0.02 0.00 3.14 0.00 0.00 58.73 61.76 2xer h TYR 543 Cb 0.40 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2xer h TYR 543 CO 0.01 0.86 0.42 -0.07 -1.64 0.00 0.00 178.16 177.73 2xer h LEU 544 N 0.40 0.67 -0.90 2.82 3.38 -1.47 0.60 115.31 120.83 2xer h LEU 544 Ca 0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2xer h LEU 544 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2xer h LEU 544 CO 0.04 0.47 -0.30 0.25 0.09 0.00 0.00 178.44 179.00 2xer h LEU 545 N 0.79 0.47 -1.26 1.67 6.46 -1.41 -2.46 115.31 119.57 2xer h LEU 545 Ca 0.25 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2xer h LEU 545 Cb 0.02 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2xer h LEU 545 CO -0.06 0.75 0.00 -1.28 -0.62 0.00 0.00 178.44 177.23 2xer h SER 546 N 0.40 0.00 0.00 1.25 0.87 0.73 -1.02 113.55 115.79 2xer h SER 546 Ca 0.05 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.32 2xer h SER 546 Cb 0.73 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 2xer h SER 546 CO 0.06 0.00 -1.60 0.18 -0.53 0.00 0.00 176.83 174.93 2xer n LEU 547 N -2.30 1.92 -0.03 2.23 4.77 -0.95 -4.37 117.00 118.26 2xer n LEU 547 Ca -0.00 0.39 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 2xer n LEU 547 Cb 0.11 -0.94 0.31 0.00 -2.33 0.00 0.00 43.42 40.57 2xer n LEU 547 CO 0.14 0.37 1.02 -0.33 -1.33 0.00 0.00 177.39 177.26 2xer h GLU 548 N -0.95 0.60 -3.36 3.23 5.08 -1.27 -3.42 114.58 114.48 2xer h GLU 548 Ca -0.44 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 57.62 2xer h GLU 548 Cb 1.41 -0.10 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 2xer h GLU 548 CO -0.25 0.54 -0.56 -1.21 -1.00 0.00 0.00 179.01 176.53 2xer s GLU 549 N -5.19 0.16 0.54 2.33 2.02 -0.41 -5.12 118.70 113.03 2xer s GLU 549 Ca -0.08 0.23 -0.21 0.00 0.02 0.00 0.00 54.97 54.93 2xer s GLU 549 Cb 0.16 0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.38 2xer s GLU 549 CO 0.76 -0.04 1.30 -1.21 0.02 0.00 0.00 175.26 176.09 2xer s GLU 550 N 0.27 3.19 0.12 1.61 2.02 -1.26 -4.11 118.70 120.53 2xer s GLU 550 Ca -0.02 2.10 -0.19 0.00 0.02 0.00 0.00 54.97 56.89 2xer s GLU 550 Cb -0.03 -2.22 0.05 0.00 0.10 0.00 0.00 34.13 32.03 2xer s GLU 550 CO -0.01 -1.11 0.47 -0.98 0.02 0.00 0.00 175.26 173.65 2xer s ARG 551 N -2.95 1.10 1.15 1.61 1.70 -1.26 -5.02 118.95 115.29 2xer s ARG 551 Ca 0.72 -0.56 -0.17 0.00 -0.47 0.00 0.00 55.73 55.24 2xer s ARG 551 Cb -0.37 0.49 0.16 0.00 -0.57 0.00 0.00 34.95 34.67 2xer s ARG 551 CO 0.43 -0.44 0.26 -0.35 -1.08 0.00 0.00 175.30 174.12 2xer n PRO 552 N -0.13 -1.98 -1.52 3.89 -0.04 -1.26 -4.73 135.00 129.24 2xer n PRO 552 Ca -0.17 -0.56 -0.51 0.00 -0.04 0.00 0.00 63.50 62.22 2xer n PRO 552 Cb 0.63 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 2xer n PRO 552 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xer n ALA 553 N -4.63 0.94 -1.76 0.55 0.00 -1.26 -4.91 120.51 109.44 2xer n ALA 553 Ca 0.01 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 2xer n ALA 553 Cb 0.60 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.55 2xer n ALA 553 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2xer s LEU 554 N 6.49 3.95 -0.33 0.00 2.96 -1.26 -4.98 118.68 125.52 2xer s LEU 554 Ca 1.06 2.67 -0.14 0.00 -0.22 0.00 0.00 54.13 57.50 2xer s LEU 554 Cb -0.83 -4.19 -0.02 0.00 0.50 0.00 0.00 46.19 41.64 2xer s LEU 554 CO 0.51 -1.31 0.30 -0.32 -1.32 0.00 0.00 176.35 174.20 2xer s MET 555 N -2.74 3.62 -0.25 1.98 1.75 -1.26 -5.06 119.30 117.34 2xer s MET 555 Ca 0.67 -0.46 -0.11 0.00 -1.25 0.00 0.00 55.69 54.55 2xer s MET 555 Cb -0.38 -3.78 -0.05 0.00 2.84 0.00 0.00 34.83 33.47 2xer s MET 555 CO 0.46 -0.43 0.16 0.34 -0.65 0.00 0.00 175.02 174.90 2xer s ASP 556 N 1.73 6.07 -0.00 1.11 -1.08 -1.26 -4.93 116.67 118.30 2xer s ASP 556 Ca 0.09 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 2xer s ASP 556 Cb -0.17 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 2xer s ASP 556 CO 0.11 0.04 0.85 -0.67 0.52 0.00 0.00 175.17 176.01 2xer n ASP 557 N 4.47 0.04 -0.26 -0.34 2.03 -1.26 -4.88 116.55 116.35 2xer n ASP 557 Ca -0.15 -1.70 0.04 0.00 0.52 0.00 0.00 54.79 53.50 2xer n ASP 557 Cb 0.52 -0.14 0.17 0.00 -0.72 0.00 0.00 41.12 40.95 2xer n ASP 557 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2xer h ARG 558 N 0.00 0.57 -0.90 -0.67 -0.00 -1.98 -2.42 114.38 108.99 2xer h ARG 558 Ca 0.00 -0.03 0.15 0.00 -0.50 0.00 0.00 59.98 59.59 2xer h ARG 558 Cb 1.27 -0.13 -0.15 0.00 0.00 0.00 0.00 29.97 30.95 2xer h ARG 558 CO 0.00 0.38 -0.36 -0.22 0.00 0.00 0.00 179.97 179.77 2xer h LYS 559 N 0.59 -0.03 -0.12 0.04 3.64 -2.00 0.30 116.57 118.99 2xer h LYS 559 Ca 0.39 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.68 2xer h LYS 559 Cb 0.49 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2xer h LYS 559 CO -0.32 -0.02 -0.32 1.25 -2.27 0.00 0.00 179.45 177.77 2xer h HIS 560 N -0.04 0.55 0.11 1.91 2.76 -1.87 -3.17 115.15 115.40 2xer h HIS 560 Ca 0.33 -0.21 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2xer h HIS 560 Cb 0.60 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 2xer h HIS 560 CO -0.81 0.93 -0.32 0.87 -1.30 0.00 0.00 177.93 177.31 2xer h LYS 561 N 0.02 -0.51 -0.58 5.26 1.79 -0.69 -1.77 116.57 120.08 2xer h LYS 561 Ca -0.00 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 2xer h LYS 561 Cb 0.93 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.64 2xer h LYS 561 CO 0.07 -0.34 0.27 0.82 -1.08 0.00 0.00 179.45 179.19 2xer h ILE 562 N -0.53 0.90 -0.43 1.86 2.04 -0.57 0.86 117.51 121.63 2xer h ILE 562 Ca 0.03 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2xer h ILE 562 Cb 0.57 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2xer h ILE 562 CO -0.19 0.09 0.23 0.00 0.00 0.00 0.00 178.15 178.28 2xer h SER 564 N 0.46 0.91 -0.51 0.00 0.02 -0.32 0.19 113.55 114.30 2xer h SER 564 Ca 0.18 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2xer h SER 564 Cb 0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2xer h SER 564 CO -0.11 0.71 0.30 0.24 -1.14 0.00 0.00 176.83 176.83 2xer h MET 565 N 1.03 0.69 -0.16 3.45 2.07 -0.44 0.12 114.93 121.69 2xer h MET 565 Ca 0.27 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.81 2xer h MET 565 Cb -0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.55 2xer h MET 565 CO -0.05 0.51 -0.01 -0.92 1.07 0.00 0.00 176.91 177.51 2xer h TYR 566 N 0.68 0.32 0.00 -0.22 3.20 -0.86 -2.06 116.97 118.03 2xer h TYR 566 Ca 0.18 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2xer h TYR 566 Cb -0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2xer h TYR 566 CO -0.03 0.53 0.00 -0.44 -1.64 0.00 0.00 178.16 176.58 2xer h ASP 567 N 0.03 0.00 0.75 -2.11 3.32 -0.40 0.23 116.42 118.24 2xer h ASP 567 Ca 0.04 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 2xer h ASP 567 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2xer h ASP 567 CO 0.01 0.00 -1.36 0.78 -1.72 0.00 0.00 179.24 176.95 2xer h ASN 568 N 0.00 0.00 0.00 6.45 4.21 -0.46 -3.40 115.58 122.38 2xer h ASN 568 Ca 0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 2xer h ASN 568 Cb 0.07 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 2xer h ASN 568 CO 0.00 0.67 -0.96 -0.07 -1.29 0.00 0.00 177.43 175.78 2xer h LEU 569 N 0.00 0.00 -9.93 1.61 3.38 -0.53 -3.48 115.31 106.36 2xer h LEU 569 Ca -0.16 -0.39 -0.57 0.00 0.09 0.00 0.00 57.88 56.85 2xer h LEU 569 Cb 1.66 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 2xer h LEU 569 CO 0.06 1.24 -0.48 -0.13 0.09 0.00 0.00 178.44 179.22 2xer s ARG 570 N -2.30 2.24 0.00 1.13 1.81 0.67 -3.83 118.95 118.67 2xer s ARG 570 Ca -0.24 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 51.92 2xer s ARG 570 Cb 0.04 -2.00 0.00 0.00 -0.45 0.00 0.00 34.95 32.55 2xer s ARG 570 CO 0.48 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.36 2xer n GLY 571 N -1.28 2.79 3.97 -3.53 0.00 -1.26 -3.73 105.19 102.15 2xer n GLY 571 Ca -0.01 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 2xer n GLY 571 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xer s LYS 572 N -2.92 1.35 0.00 1.61 -2.85 -1.26 -4.76 119.74 110.91 2xer s LYS 572 Ca 0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 2xer s LYS 572 Cb 0.00 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2xer s LYS 572 CO 0.00 -1.77 0.14 -0.11 0.10 0.00 0.00 175.35 173.70 2xer n LEU 573 N -3.17 0.27 -4.28 2.77 0.00 -1.26 -5.08 117.00 106.25 2xer n LEU 573 Ca 0.14 -0.38 -0.32 0.00 0.00 0.00 0.00 56.01 55.45 2xer n LEU 573 Cb 0.60 0.00 0.17 0.00 0.00 0.00 0.00 43.42 44.19 2xer n LEU 573 CO 0.44 0.07 -0.53 0.54 0.00 0.00 0.00 177.39 177.92 2xer n ARG 578 N -0.22 -1.59 -1.48 1.96 1.74 -1.26 -5.26 116.66 110.55 2xer n ARG 578 Ca 0.00 -0.45 -0.31 0.00 -0.77 0.00 0.00 57.85 56.33 2xer n ARG 578 Cb 0.07 -1.71 0.07 0.00 -1.02 0.00 0.00 32.46 29.88 2xer n ARG 578 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2xer s PRO 579 N -3.46 2.48 0.26 5.56 0.02 -1.26 -5.08 135.00 133.52 2xer s PRO 579 Ca 0.56 0.90 0.07 0.00 0.02 0.00 0.00 61.00 62.55 2xer s PRO 579 Cb -0.12 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 2xer s PRO 579 CO 0.66 -1.41 0.24 -1.54 -0.33 0.00 0.00 177.00 174.62 2xer s SER 580 N -3.72 5.64 0.47 2.53 1.04 -1.26 -5.00 113.70 113.39 2xer s SER 580 Ca 0.60 -0.22 0.15 0.00 0.48 0.00 0.00 55.95 56.96 2xer s SER 580 Cb -0.15 -1.44 1.07 0.00 0.10 0.00 0.00 66.02 65.60 2xer s SER 580 CO 0.55 -0.07 2.04 0.44 0.98 0.00 0.00 173.24 177.17 2xer h ASP 581 N 1.41 0.01 -0.16 7.02 3.32 -1.98 -3.35 116.42 122.69 2xer h ASP 581 Ca -0.49 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 2xer h ASP 581 Cb 1.24 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 2xer h ASP 581 CO 0.60 0.13 -0.10 -0.67 -1.72 0.00 0.00 179.24 177.49 2xer n ASP 582 N -4.39 -0.17 -0.20 6.45 2.03 -1.26 0.19 116.55 119.20 2xer n ASP 582 Ca -0.03 1.01 -0.00 0.00 0.52 0.00 0.00 54.79 56.29 2xer n ASP 582 Cb 0.20 -0.40 0.07 0.00 -0.72 0.00 0.00 41.12 40.28 2xer n ASP 582 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2xer h HIS 583 N 0.00 -0.21 -0.27 -0.67 2.76 -1.92 -0.03 115.15 114.82 2xer h HIS 583 Ca 0.03 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2xer h HIS 583 Cb 0.07 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2xer h HIS 583 CO -0.84 -0.22 -0.16 0.35 -1.30 0.00 0.00 177.93 175.75 2xer h PHE 584 N 0.04 0.67 -0.65 5.26 3.57 -1.42 -3.01 116.94 121.40 2xer h PHE 584 Ca 0.30 -0.18 0.09 0.00 3.53 0.00 0.00 57.97 61.71 2xer h PHE 584 Cb 0.47 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2xer h PHE 584 CO -0.44 0.85 0.43 0.28 -2.23 0.00 0.00 178.31 177.20 2xer h VAL 585 N 0.31 0.93 0.00 1.41 2.07 0.74 -0.08 116.25 121.62 2xer h VAL 585 Ca 0.06 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2xer h VAL 585 Cb 0.69 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2xer h VAL 585 CO 0.05 0.10 -0.38 1.56 0.02 0.00 0.00 177.57 178.91 2xer h GLN 586 N 0.53 0.00 0.01 1.57 4.20 -0.92 -2.69 115.11 117.81 2xer h GLN 586 Ca 0.30 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.80 2xer h GLN 586 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2xer h GLN 586 CO -0.09 0.38 -0.92 0.82 -0.67 0.00 0.00 178.83 178.34 2xer h ILE 587 N 0.00 1.47 -0.01 2.54 2.04 -0.94 -3.25 117.51 119.36 2xer h ILE 587 Ca -0.00 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2xer h ILE 587 Cb 0.79 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 2xer h ILE 587 CO 0.05 0.77 0.00 0.23 0.00 0.00 0.00 178.15 179.19 2xer n MET 588 N -3.67 1.09 0.03 2.37 2.81 -0.66 -2.73 117.12 116.36 2xer n MET 588 Ca -0.05 -0.13 0.11 0.00 -1.81 0.00 0.00 57.70 55.83 2xer n MET 588 Cb 0.83 -1.46 0.04 0.00 -0.71 0.00 0.00 33.22 31.92 2xer n MET 588 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xer s ILE 590 N -3.20 5.46 0.14 0.00 1.01 -1.10 -4.90 121.20 118.60 2xer s ILE 590 Ca 0.04 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.70 2xer s ILE 590 Cb 0.14 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2xer s ILE 590 CO 0.79 0.61 1.72 -0.09 0.00 0.00 0.00 174.94 177.96 2xer h ARG 591 N 5.11 0.09 -0.72 2.79 2.43 -1.91 -1.33 114.38 120.85 2xer h ARG 591 Ca -0.54 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.60 2xer h ARG 591 Cb 1.22 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 2xer h ARG 591 CO 0.59 0.06 0.33 -0.22 -1.51 0.00 0.00 179.97 179.22 2xer h LYS 592 N 0.10 1.03 -0.20 0.20 3.64 -1.95 -1.99 116.57 117.40 2xer h LYS 592 Ca 0.13 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2xer h LYS 592 Cb 0.17 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2xer h LYS 592 CO -0.21 0.80 0.13 0.78 -2.27 0.00 0.00 179.45 178.68 2xer h GLY 593 N 1.08 0.29 0.98 5.01 0.00 -1.52 0.44 103.07 109.35 2xer h GLY 593 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2xer h GLY 593 CO -0.03 0.11 0.27 0.50 0.00 0.00 0.00 176.54 177.39 2xer h LYS 594 N 0.26 0.68 -0.45 4.80 1.57 -0.95 0.12 116.57 122.60 2xer h LYS 594 Ca 0.07 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2xer h LYS 594 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2xer h LYS 594 CO -0.02 0.53 0.05 0.00 -0.57 0.00 0.00 179.45 179.44 2xer h ARG 595 N 0.65 0.72 0.32 3.15 3.08 -1.22 -2.53 114.38 118.55 2xer h ARG 595 Ca 0.17 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2xer h ARG 595 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2xer h ARG 595 CO -0.03 0.70 -0.16 1.98 -1.07 0.00 0.00 179.97 181.40 2xer h MET 596 N 0.68 -0.42 -0.90 0.04 4.05 -0.37 -2.98 114.93 115.03 2xer h MET 596 Ca 0.14 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.76 2xer h MET 596 Cb 0.36 0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 31.15 2xer h MET 596 CO 0.01 -0.10 0.48 0.28 0.23 0.00 0.00 176.91 177.81 2xer h VAL 597 N -0.81 0.69 -0.00 -5.77 2.07 -0.97 0.12 116.25 111.58 2xer h VAL 597 Ca -0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2xer h VAL 597 Cb 0.52 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2xer h VAL 597 CO 0.07 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 2xer h ALA 598 N 1.60 1.96 0.00 1.67 0.00 -1.42 -1.64 119.26 121.43 2xer h ALA 598 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2xer h ALA 598 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2xer h ALA 598 CO -0.39 0.03 -0.84 0.54 0.00 0.00 0.00 179.25 178.59 2xer n ARG 599 N -4.51 0.22 0.04 0.00 1.74 0.29 -4.20 116.66 110.23 2xer n ARG 599 Ca -0.03 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 2xer n ARG 599 Cb 0.11 -1.59 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 2xer n ARG 599 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2xer h ILE 600 N 0.00 0.84 -0.83 0.55 2.04 -0.32 -3.40 117.51 116.40 2xer h ILE 600 Ca 0.00 -2.43 0.20 0.00 1.00 0.00 0.00 64.86 63.63 2xer h ILE 600 Cb 0.68 2.66 -0.15 0.00 -0.74 0.00 0.00 36.82 39.27 2xer h ILE 600 CO 0.00 0.84 0.03 -0.07 0.00 0.00 0.00 178.15 178.95 2xer h LEU 601 N 0.02 -0.36 -2.14 1.44 3.38 -1.51 0.41 115.31 116.54 2xer h LEU 601 Ca -0.37 0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2xer h LEU 601 Cb 2.02 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 43.14 2xer h LEU 601 CO 0.13 -0.22 0.29 1.55 0.09 0.00 0.00 178.44 180.27 2xer h PRO 602 N 0.09 0.00 0.00 1.13 0.13 -1.80 0.72 132.00 132.26 2xer h PRO 602 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.60 2xer h PRO 602 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2xer h PRO 602 CO -0.74 0.00 -0.62 1.19 -0.23 0.00 0.00 178.00 177.61 2xer n PHE 603 N -3.69 0.46 -2.67 1.56 3.72 0.14 -4.94 117.46 112.04 2xer n PHE 603 Ca 0.03 0.13 -0.30 0.00 -0.05 0.00 0.00 57.45 57.26 2xer n PHE 603 Cb 0.42 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 2xer n PHE 603 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2xer s LEU 604 N -4.03 3.73 1.02 4.37 1.43 0.24 -5.02 118.68 120.42 2xer s LEU 604 Ca 0.07 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.25 2xer s LEU 604 Cb 0.14 -4.13 0.20 0.00 0.03 0.00 0.00 46.19 42.43 2xer s LEU 604 CO 0.72 -0.49 1.11 -0.94 0.23 0.00 0.00 176.35 176.98 2xer s SER 605 N -3.31 2.45 0.17 2.29 1.04 -1.26 -4.71 113.70 110.37 2xer s SER 605 Ca 0.53 0.99 -0.13 0.00 0.48 0.00 0.00 55.95 57.82 2xer s SER 605 Cb -0.10 -1.54 0.07 0.00 0.10 0.00 0.00 66.02 64.54 2xer s SER 605 CO 0.34 -3.21 1.79 0.74 0.98 0.00 0.00 173.24 173.88 2xer h THR 606 N -1.95 1.18 0.28 2.02 2.02 -1.97 0.14 112.91 114.62 2xer h THR 606 Ca -0.52 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2xer h THR 606 Cb 1.32 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2xer h THR 606 CO 0.54 0.19 -0.14 -0.33 0.37 0.00 0.00 175.52 176.15 2xer h GLU 607 N 0.75 -0.36 -0.64 6.66 5.08 -1.98 -0.27 114.58 123.81 2xer h GLU 607 Ca 0.20 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2xer h GLU 607 Cb 0.02 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2xer h GLU 607 CO -0.03 -0.14 0.33 1.96 -1.00 0.00 0.00 179.01 180.12 2xer h GLN 608 N -0.53 0.58 -0.14 2.33 4.20 -1.88 -0.02 115.11 119.65 2xer h GLN 608 Ca -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2xer h GLN 608 Cb 0.39 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2xer h GLN 608 CO 0.06 0.38 0.03 0.00 -0.67 0.00 0.00 178.83 178.63 2xer h ALA 609 N 1.36 0.19 -0.82 3.87 0.00 -0.72 -2.82 119.26 120.32 2xer h ALA 609 Ca 0.30 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2xer h ALA 609 Cb 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2xer h ALA 609 CO -0.22 -0.16 0.48 0.00 0.00 0.00 0.00 179.25 179.35 2xer h ALA 610 N 0.82 1.15 -0.44 0.00 0.00 -0.44 -0.42 119.26 119.93 2xer h ALA 610 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xer h ALA 610 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2xer h ALA 610 CO 0.00 0.14 0.26 0.22 0.00 0.00 0.00 179.25 179.88 2xer h ASP 611 N 0.83 0.43 -0.65 0.00 3.58 -0.94 0.30 116.42 119.97 2xer h ASP 611 Ca 0.38 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.86 2xer h ASP 611 Cb 0.30 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 2xer h ASP 611 CO -0.22 0.31 0.40 0.40 -2.88 0.00 0.00 179.24 177.25 2xer h ILE 612 N 0.53 1.09 -0.54 2.25 5.03 -1.07 -0.51 117.51 124.29 2xer h ILE 612 Ca 0.18 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.62 2xer h ILE 612 Cb 0.01 0.22 -0.02 0.00 -3.03 0.00 0.00 36.82 34.00 2xer h ILE 612 CO -0.08 0.15 0.26 0.25 -0.68 0.00 0.00 178.15 178.05 2xer h LEU 613 N 0.80 0.72 -0.11 1.44 5.85 -0.31 -0.08 115.31 123.61 2xer h LEU 613 Ca 0.26 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2xer h LEU 613 Cb 0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2xer h LEU 613 CO -0.10 0.65 -0.06 0.24 -0.34 0.00 0.00 178.44 178.83 2xer h MET 614 N 0.73 -0.05 -0.29 1.25 2.86 0.02 -0.13 114.93 119.32 2xer h MET 614 Ca 0.19 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2xer h MET 614 Cb 0.13 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2xer h MET 614 CO -0.02 -0.04 -0.26 1.15 1.06 0.00 0.00 176.91 178.80 2xer h THR 615 N -0.06 1.27 -0.25 2.22 2.02 -0.88 -1.08 112.91 116.15 2xer h THR 615 Ca 0.06 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 2xer h THR 615 Cb 0.15 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2xer h THR 615 CO -0.14 0.43 0.08 0.74 0.37 0.00 0.00 175.52 176.99 2xer h THR 616 N 0.50 1.20 0.02 3.16 2.02 -0.82 -2.86 112.91 116.13 2xer h THR 616 Ca 0.07 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.64 2xer h THR 616 Cb 0.72 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2xer h THR 616 CO 0.06 0.21 -0.13 0.00 0.37 0.00 0.00 175.52 176.02 2xer h ALA 617 N 0.91 -0.16 -0.39 6.16 0.00 -0.62 -1.10 119.26 124.05 2xer h ALA 617 Ca 0.08 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2xer h ALA 617 Cb 0.24 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2xer h ALA 617 CO -0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 179.25 178.22 2xer h ARG 618 N -0.23 -0.31 -1.05 0.00 3.08 -1.18 -2.15 114.38 112.55 2xer h ARG 618 Ca 0.04 0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.43 2xer h ARG 618 Cb 0.27 0.07 -0.29 0.00 0.08 0.00 0.00 29.97 30.10 2xer h ARG 618 CO -0.11 -0.20 0.82 0.09 -1.07 0.00 0.00 179.97 179.50 2xer n ASN 619 N -5.42 7.59 -0.02 7.04 3.02 -1.08 -4.71 115.26 121.68 2xer n ASN 619 Ca -0.00 -3.79 -0.13 0.00 -0.03 0.00 0.00 54.58 50.63 2xer n ASN 619 Cb 0.35 -0.96 -0.10 0.00 -0.61 0.00 0.00 39.78 38.46 2xer n ASN 619 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2xer h LEU 620 N 2.06 -0.03 -1.31 3.41 5.85 -0.50 -2.39 115.31 122.41 2xer h LEU 620 Ca 0.60 -0.63 0.14 0.00 0.84 0.00 0.00 57.88 58.82 2xer h LEU 620 Cb 0.80 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2xer h LEU 620 CO 1.56 0.64 0.57 -0.65 -0.34 0.00 0.00 178.44 180.22 2xer h PRO 621 N -0.73 0.66 -0.30 5.25 0.11 -1.84 -0.12 132.00 135.04 2xer h PRO 621 Ca -0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 2xer h PRO 621 Cb 0.66 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 2xer h PRO 621 CO 0.01 0.44 -0.32 0.35 -0.21 0.00 0.00 178.00 178.26 2xer h PHE 622 N 0.68 0.90 -0.03 0.65 3.57 -1.92 -2.97 116.94 117.82 2xer h PHE 622 Ca 0.44 -0.28 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2xer h PHE 622 Cb 0.70 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2xer h PHE 622 CO -0.00 1.04 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.79 2xer h LEU 623 N 0.50 0.05 -0.30 0.59 3.38 -0.78 -2.98 115.31 115.77 2xer h LEU 623 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2xer h LEU 623 Cb 0.90 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2xer h LEU 623 CO 0.08 0.31 0.04 0.40 0.09 0.00 0.00 178.44 179.36 2xer h ILE 624 N 0.05 1.24 -0.87 1.22 2.04 -0.92 -2.25 117.51 118.00 2xer h ILE 624 Ca 0.01 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2xer h ILE 624 Cb 0.48 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2xer h ILE 624 CO 0.03 0.27 0.58 0.50 0.00 0.00 0.00 178.15 179.53 2xer h LYS 625 N 0.31 1.11 0.00 2.37 1.63 -1.39 0.04 116.57 120.64 2xer h LYS 625 Ca 0.09 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2xer h LYS 625 Cb 0.35 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2xer h LYS 625 CO 0.01 0.73 0.00 1.63 -3.45 0.00 0.00 179.45 178.37 2xer n LYS 626 N -4.42 0.33 -0.28 1.90 4.76 -1.08 -2.47 118.16 116.91 2xer n LYS 626 Ca 0.11 0.06 0.07 0.00 -2.87 0.00 0.00 58.31 55.68 2xer n LYS 626 Cb 0.06 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 31.94 2xer n LYS 626 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2xer n ASP 627 N -1.28 3.23 -0.19 4.39 2.03 -0.03 -4.66 116.55 120.04 2xer n ASP 627 Ca 0.11 -2.64 -0.08 0.00 0.52 0.00 0.00 54.79 52.70 2xer n ASP 627 Cb 0.19 -0.39 0.02 0.00 -0.72 0.00 0.00 41.12 40.22 2xer n ASP 627 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xer h ALA 628 N 1.46 0.71 0.00 -1.67 0.00 -1.15 0.14 119.26 118.75 2xer h ALA 628 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2xer h ALA 628 Cb 1.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2xer h ALA 628 CO 0.11 0.32 -0.32 1.96 0.00 0.00 0.00 179.25 181.32 2xer h GLN 629 N 0.74 0.00 -0.16 0.00 7.50 -1.83 -3.39 115.11 117.97 2xer h GLN 629 Ca 0.18 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.34 2xer h GLN 629 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.72 2xer h GLN 629 CO -0.01 0.32 0.06 -0.44 -1.50 0.00 0.00 178.83 177.25 2xer h ASP 630 N -1.00 0.08 -6.33 1.46 3.32 -1.84 -3.47 116.42 108.64 2xer h ASP 630 Ca -0.05 0.01 -0.47 0.00 0.02 0.00 0.00 57.03 56.55 2xer h ASP 630 Cb 0.50 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2xer h ASP 630 CO -0.03 0.07 -0.86 -0.62 -1.72 0.00 0.00 179.24 176.08 2xer n GLU 631 N -5.04 -3.98 -0.06 3.56 1.02 0.50 -4.89 120.64 111.75 2xer n GLU 631 Ca -0.04 0.49 0.07 0.00 -0.02 0.00 0.00 57.16 57.66 2xer n GLU 631 Cb 0.06 -4.81 0.09 0.00 -0.02 0.00 0.00 31.44 26.76 2xer n GLU 631 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2xer n VAL 632 N -4.35 0.28 -0.33 2.62 0.24 -1.26 -4.55 118.33 110.97 2xer n VAL 632 Ca -0.29 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.33 2xer n VAL 632 Cb 0.68 1.07 0.09 0.00 -1.47 0.00 0.00 33.84 34.20 2xer n VAL 632 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2xer h LEU 633 N 2.60 1.05 -1.91 1.34 3.38 -1.90 -2.97 115.31 116.90 2xer h LEU 633 Ca 0.00 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2xer h LEU 633 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2xer h LEU 633 CO 0.00 0.78 0.47 -0.65 0.09 0.00 0.00 178.44 179.13 2xer h PRO 634 N 1.22 0.00 0.00 1.13 0.11 -1.97 0.29 132.00 132.79 2xer h PRO 634 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2xer h PRO 634 Cb -0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2xer h PRO 634 CO -0.07 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.72 2xer h LEU 636 N 0.00 0.00 -0.63 0.00 3.38 -0.59 -3.39 115.31 114.08 2xer h LEU 636 Ca 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2xer h LEU 636 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2xer h LEU 636 CO 0.00 0.06 0.20 0.25 0.09 0.00 0.00 178.44 179.04 2xer h LEU 637 N 0.00 0.92 0.31 1.67 6.46 -1.42 -2.90 115.31 120.35 2xer h LEU 637 Ca 0.00 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2xer h LEU 637 Cb 0.81 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2xer h LEU 637 CO 0.00 0.88 -0.23 -1.28 -0.62 0.00 0.00 178.44 177.19 2xer h SER 638 N 0.91 -0.58 -0.79 1.25 0.87 -1.75 0.45 113.55 113.91 2xer h SER 638 Ca 0.20 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2xer h SER 638 Cb 0.28 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2xer h SER 638 CO -0.01 -0.35 0.37 1.55 -0.53 0.00 0.00 176.83 177.86 2xer h PRO 639 N -0.53 1.15 0.00 2.24 0.13 -1.83 -1.92 132.00 131.24 2xer h PRO 639 Ca -0.02 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 2xer h PRO 639 Cb 0.46 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2xer h PRO 639 CO 0.00 0.90 -0.20 0.74 -0.23 0.00 0.00 178.00 179.21 2xer h PHE 640 N 1.14 0.00 -0.15 1.56 0.04 -1.29 -2.41 116.94 115.82 2xer h PHE 640 Ca 0.27 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 2xer h PHE 640 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2xer h PHE 640 CO 0.02 0.20 0.02 0.77 -0.60 0.00 0.00 178.31 178.71 2xer h SER 641 N 0.00 0.25 -0.65 2.17 0.02 -0.08 -1.64 113.55 113.62 2xer h SER 641 Ca -0.00 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2xer h SER 641 Cb 0.47 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2xer h SER 641 CO 0.03 0.46 0.11 -0.07 -1.14 0.00 0.00 176.83 176.21 2xer h LEU 642 N 0.03 1.03 -0.40 5.07 3.38 -1.39 -2.90 115.31 120.13 2xer h LEU 642 Ca 0.05 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2xer h LEU 642 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2xer h LEU 642 CO 0.00 1.02 0.16 0.25 0.09 0.00 0.00 178.44 179.96 2xer h LEU 643 N 0.99 0.19 -1.06 1.67 5.85 -1.27 -2.28 115.31 119.40 2xer h LEU 643 Ca 0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2xer h LEU 643 Cb 0.43 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2xer h LEU 643 CO 0.01 0.14 0.34 -0.07 -0.34 0.00 0.00 178.44 178.53 2xer h LEU 644 N 0.33 0.91 -2.02 2.25 3.38 -1.22 -2.83 115.31 116.11 2xer h LEU 644 Ca 0.18 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2xer h LEU 644 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2xer h LEU 644 CO -0.17 0.77 0.31 1.88 0.09 0.00 0.00 178.44 181.31 2xer h TYR 645 N 1.00 0.00 -0.85 1.13 0.05 -1.20 -2.91 116.97 114.19 2xer h TYR 645 Ca 0.25 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.47 2xer h TYR 645 Cb 0.10 0.00 -0.43 0.00 1.01 0.00 0.00 36.73 37.41 2xer h TYR 645 CO 0.01 0.00 -0.81 0.72 -1.05 0.00 0.00 178.16 177.03 2xer n HIS 646 N -4.33 2.82 -4.29 4.88 8.25 -1.07 -5.02 115.22 116.47 2xer n HIS 646 Ca 0.07 -2.34 -0.30 0.00 -0.26 0.00 0.00 57.72 54.89 2xer n HIS 646 Cb 0.51 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 2xer n HIS 646 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2xer s LEU 647 N -3.59 2.82 1.03 2.41 1.43 -1.10 -5.07 118.68 116.60 2xer s LEU 647 Ca 0.50 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 2xer s LEU 647 Cb 0.41 -1.64 0.20 0.00 0.03 0.00 0.00 46.19 45.19 2xer s LEU 647 CO 0.01 0.18 1.11 -2.84 0.23 0.00 0.00 176.35 175.04 2xer s PRO 648 N -2.15 0.20 0.43 1.29 0.02 -1.26 -4.82 135.00 128.71 2xer s PRO 648 Ca 0.19 0.29 0.16 0.00 0.02 0.00 0.00 61.00 61.66 2xer s PRO 648 Cb -0.11 -1.73 0.95 0.00 0.02 0.00 0.00 34.50 33.63 2xer s PRO 648 CO 0.11 -2.83 1.93 1.03 -0.33 0.00 0.00 177.00 176.91 2xer h SER 649 N -1.96 0.00 -0.06 2.53 0.87 -1.98 -2.32 113.55 110.63 2xer h SER 649 Ca -0.52 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.85 2xer h SER 649 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2xer h SER 649 CO 0.53 0.26 -0.64 -0.37 -0.53 0.00 0.00 176.83 176.08 2xer h VAL 650 N 0.00 1.31 -0.12 2.23 -1.51 -1.99 -1.82 116.25 114.35 2xer h VAL 650 Ca -0.00 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.50 2xer h VAL 650 Cb 0.48 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2xer h VAL 650 CO 0.03 0.59 -0.24 0.28 -1.23 0.00 0.00 177.57 177.01 2xer h SER 651 N 0.49 0.41 -0.51 4.19 0.02 -1.88 -1.61 113.55 114.67 2xer h SER 651 Ca -0.01 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2xer h SER 651 Cb 1.23 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2xer h SER 651 CO 0.13 0.90 0.32 0.40 -1.14 0.00 0.00 176.83 177.43 2xer h ILE 652 N -0.05 1.15 -0.10 3.27 1.08 -1.47 -1.06 117.51 120.33 2xer h ILE 652 Ca 0.00 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 2xer h ILE 652 Cb 0.83 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2xer h ILE 652 CO 0.05 0.16 -0.12 0.74 -0.69 0.00 0.00 178.15 178.29 2xer h THR 653 N 0.72 1.37 -0.51 -0.27 2.02 -1.28 -2.76 112.91 112.21 2xer h THR 653 Ca 0.19 -1.32 0.10 0.00 0.77 0.00 0.00 66.41 66.15 2xer h THR 653 Cb -0.03 2.02 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 2xer h THR 653 CO -0.04 0.37 0.03 0.28 0.37 0.00 0.00 175.52 176.54 2xer h SER 654 N -0.17 -0.15 -0.49 4.18 0.02 -0.96 0.83 113.55 116.80 2xer h SER 654 Ca 0.01 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 2xer h SER 654 Cb 0.66 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.30 2xer h SER 654 CO 0.03 -0.05 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.59 2xer h LEU 655 N 0.15 -0.23 -0.21 5.07 3.38 -1.13 0.70 115.31 123.05 2xer h LEU 655 Ca 0.26 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 2xer h LEU 655 Cb 0.38 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2xer h LEU 655 CO -0.40 -0.08 -0.08 -0.07 0.09 0.00 0.00 178.44 177.91 2xer h LEU 656 N 0.10 0.42 -1.19 1.67 3.38 -1.09 0.84 115.31 119.45 2xer h LEU 656 Ca 0.25 -0.39 0.30 0.00 0.09 0.00 0.00 57.88 58.12 2xer h LEU 656 Cb 0.37 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 2xer h LEU 656 CO -0.42 0.72 0.65 0.03 0.09 0.00 0.00 178.44 179.51 2xer h ARG 657 N 0.12 0.38 0.06 1.13 3.08 -0.40 -1.82 114.38 116.93 2xer h ARG 657 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2xer h ARG 657 Cb 0.55 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2xer h ARG 657 CO 0.03 0.25 -0.03 1.96 -1.07 0.00 0.00 179.97 181.10 2xer h GLN 658 N 0.39 -0.08 -0.66 0.04 1.08 -0.37 0.55 115.11 116.06 2xer h GLN 658 Ca 0.67 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.97 2xer h GLN 658 Cb 1.62 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.95 2xer h GLN 658 CO -0.43 0.44 -0.45 -0.07 -0.95 0.00 0.00 178.83 177.37 2xer h LEU 659 N -0.94 -1.58 -1.69 1.46 3.38 -0.32 2.66 115.31 118.29 2xer h LEU 659 Ca -0.01 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2xer h LEU 659 Cb 0.56 0.72 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2xer h LEU 659 CO 0.01 -0.32 0.00 0.24 0.09 0.00 0.00 178.44 178.46 2xer h MET 660 N -0.19 0.00 -4.67 1.13 2.86 -1.49 -3.45 114.93 109.12 2xer h MET 660 Ca 0.19 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.42 2xer h MET 660 Cb 0.55 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.29 2xer h MET 660 CO -0.74 0.00 -0.62 -1.71 1.06 0.00 0.00 176.91 174.90 2xer n ASN 661 N -2.75 -6.19 -0.29 1.22 5.15 0.89 -2.58 115.26 110.72 2xer n ASN 661 Ca -0.00 -0.33 0.06 0.00 -0.60 0.00 0.00 54.58 53.71 2xer n ASN 661 Cb 0.18 -4.97 0.28 0.00 -0.53 0.00 0.00 39.78 34.73 2xer n ASN 661 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2xer h LEU 662 N -1.61 0.83 -1.15 1.20 5.85 -0.14 -1.03 115.31 119.27 2xer h LEU 662 Ca -0.54 0.02 0.36 0.00 0.84 0.00 0.00 57.88 58.56 2xer h LEU 662 Cb 1.37 -0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 2xer h LEU 662 CO 0.57 0.51 0.65 -0.65 -0.34 0.00 0.00 178.44 179.18 2xer h PRO 663 N 0.93 0.22 0.00 5.25 0.11 -1.90 -3.36 132.00 133.25 2xer h PRO 663 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2xer h PRO 663 Cb 0.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2xer h PRO 663 CO -0.16 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.18 2xer n GLY 664 N -1.37 1.57 3.61 -0.55 0.00 -0.39 -5.06 105.19 103.00 2xer n GLY 664 Ca 0.33 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 2xer n GLY 664 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xer s SER 665 N -1.00 6.36 0.60 1.61 0.15 -1.24 -5.01 113.70 115.18 2xer s SER 665 Ca 0.00 0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.87 2xer s SER 665 Cb 0.00 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2xer s SER 665 CO 0.00 -0.28 1.08 -2.84 1.20 0.00 0.00 173.24 172.41 2xer s PRO 674 N 2.25 3.18 -0.15 5.44 0.02 -1.25 -4.77 135.00 139.71 2xer s PRO 674 Ca 0.19 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 2xer s PRO 674 Cb -0.16 -2.00 0.12 0.00 0.02 0.00 0.00 34.50 32.48 2xer s PRO 674 CO 0.10 -0.94 0.95 -3.38 -0.33 0.00 0.00 177.00 173.40 2xer s HIS 675 N -2.28 -0.42 0.00 6.54 -3.43 -1.06 -5.04 115.29 109.60 2xer s HIS 675 Ca 0.66 0.73 0.00 0.00 -0.80 0.00 0.00 55.06 55.66 2xer s HIS 675 Cb -0.19 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 2xer s HIS 675 CO 0.36 -0.38 0.00 1.28 -2.00 0.00 0.00 174.74 174.00 2xer n LEU 676 N 0.83 0.00 -0.26 5.38 4.77 -1.26 -4.37 117.00 122.09 2xer n LEU 676 Ca -0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 2xer n LEU 676 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2xer n LEU 676 CO 0.17 0.00 0.54 0.74 -1.33 0.00 0.00 177.39 177.51 2xer h THR 677 N 0.00 0.04 -0.82 -5.08 2.02 -1.97 0.86 112.91 107.97 2xer h THR 677 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2xer h THR 677 Cb 0.00 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.37 2xer h THR 677 CO 0.00 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.32 2xer h ALA 678 N 0.58 1.19 -0.21 6.16 0.00 -1.98 -2.18 119.26 122.82 2xer h ALA 678 Ca 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2xer h ALA 678 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2xer h ALA 678 CO -0.76 -0.02 -0.05 0.28 0.00 0.00 0.00 179.25 178.71 2xer h VAL 679 N 0.68 1.28 0.00 0.00 2.07 -1.31 -3.04 116.25 115.94 2xer h VAL 679 Ca 0.42 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2xer h VAL 679 Cb 0.50 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2xer h VAL 679 CO -0.31 0.31 -0.04 -0.07 0.02 0.00 0.00 177.57 177.48 2xer h LEU 680 N 0.12 0.00 -1.12 2.57 3.38 -0.50 -0.95 115.31 118.81 2xer h LEU 680 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2xer h LEU 680 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2xer h LEU 680 CO 0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2xer n GLN 681 N -3.58 1.71 -5.17 1.13 6.02 -0.86 -1.41 117.38 115.21 2xer n GLN 681 Ca -0.02 -1.10 -0.31 0.00 -0.01 0.00 0.00 57.00 55.55 2xer n GLN 681 Cb 0.15 -1.25 -0.17 0.00 1.02 0.00 0.00 30.24 29.99 2xer n GLN 681 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2xer s ASN 682 N -1.03 2.99 0.15 1.08 3.04 -0.39 -4.60 114.94 116.18 2xer s ASN 682 Ca 0.21 -0.54 -0.24 0.00 0.04 0.00 0.00 52.86 52.34 2xer s ASN 682 Cb 0.11 -1.32 0.03 0.00 -1.54 0.00 0.00 41.25 38.53 2xer s ASN 682 CO 0.15 0.16 1.60 0.11 -3.04 0.00 0.00 177.10 176.08 2xer h LYS 683 N 6.68 -0.29 -0.07 0.43 1.57 -1.85 0.18 116.57 123.22 2xer h LYS 683 Ca -0.21 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2xer h LYS 683 Cb 1.23 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2xer h LYS 683 CO 0.47 -0.19 -0.02 0.35 -0.57 0.00 0.00 179.45 179.49 2xer h PHE 684 N -0.30 0.16 -0.05 -1.35 3.57 -1.91 -2.69 116.94 114.37 2xer h PHE 684 Ca 0.14 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.64 2xer h PHE 684 Cb 0.54 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2xer h PHE 684 CO -0.49 0.48 -0.17 0.78 -2.23 0.00 0.00 178.31 176.68 2xer h GLY 685 N -0.20 -0.18 0.79 2.40 0.00 -1.70 -0.85 103.07 103.34 2xer h GLY 685 Ca 0.02 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2xer h GLY 685 CO 0.01 -0.16 0.15 -2.00 0.00 0.00 0.00 176.54 174.53 2xer h LEU 686 N -0.25 0.20 -0.22 3.11 5.85 -0.38 -1.40 115.31 122.22 2xer h LEU 686 Ca 0.07 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2xer h LEU 686 Cb 0.34 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2xer h LEU 686 CO -0.19 0.15 0.00 0.28 -0.34 0.00 0.00 178.44 178.34 2xer h SER 687 N 0.31 -0.08 -0.40 1.25 0.02 -1.19 -1.46 113.55 112.00 2xer h SER 687 Ca 0.14 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2xer h SER 687 Cb 0.08 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2xer h SER 687 CO -0.12 -0.01 0.14 0.25 -1.14 0.00 0.00 176.83 175.95 2xer h LEU 688 N 0.07 0.15 -1.52 5.07 5.85 -0.83 -0.99 115.31 123.11 2xer h LEU 688 Ca 0.10 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2xer h LEU 688 Cb 0.13 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2xer h LEU 688 CO -0.17 0.12 0.36 0.25 -0.34 0.00 0.00 178.44 178.66 2xer h LEU 689 N 0.30 0.54 -0.19 2.25 5.85 -0.85 -1.69 115.31 121.51 2xer h LEU 689 Ca 0.19 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.68 2xer h LEU 689 Cb 0.17 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2xer h LEU 689 CO -0.19 0.37 -0.90 -0.07 -0.34 0.00 0.00 178.44 177.30 2xer h LEU 690 N 0.62 0.60 -0.95 2.25 3.38 -0.24 -2.32 115.31 118.66 2xer h LEU 690 Ca 0.22 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2xer h LEU 690 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2xer h LEU 690 CO -0.06 1.25 0.06 0.40 0.09 0.00 0.00 178.44 180.18 2xer h ILE 691 N 0.28 1.24 0.61 1.22 1.08 -0.74 -2.01 117.51 119.19 2xer h ILE 691 Ca -0.07 -0.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2xer h ILE 691 Cb 1.53 0.77 0.01 0.00 -3.07 0.00 0.00 36.82 36.06 2xer h ILE 691 CO 0.16 0.34 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.59 2xer h LEU 692 N 0.79 -0.70 -1.12 1.44 3.38 -1.23 -1.19 115.31 116.69 2xer h LEU 692 Ca 0.16 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2xer h LEU 692 Cb 0.38 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 2xer h LEU 692 CO 0.01 -0.40 0.61 -0.07 0.09 0.00 0.00 178.44 178.67 2xer h LEU 693 N -0.97 0.82 -0.67 1.67 3.38 -1.40 -1.25 115.31 116.88 2xer h LEU 693 Ca -0.08 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2xer h LEU 693 Cb 0.68 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2xer h LEU 693 CO 0.14 0.43 0.07 -1.28 0.09 0.00 0.00 178.44 177.89 2xer h SER 694 N 0.87 1.06 -0.79 -0.43 0.87 -1.23 -2.42 113.55 111.49 2xer h SER 694 Ca 0.48 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2xer h SER 694 Cb 0.58 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2xer h SER 694 CO -0.25 1.07 0.30 -0.09 -0.53 0.00 0.00 176.83 177.33 2xer h ARG 695 N 1.02 1.19 0.00 2.24 9.65 -0.08 -2.20 114.38 126.19 2xer h ARG 695 Ca 0.19 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2xer h ARG 695 Cb 0.48 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2xer h ARG 695 CO 0.02 0.97 0.00 0.41 2.80 0.00 0.00 179.97 184.17 2xer n GLY 696 N -0.85 -1.05 0.15 2.80 0.00 -0.74 -2.72 105.19 102.78 2xer n GLY 696 Ca 0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2xer n GLY 696 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2xer h GLU 697 N 0.00 0.45 -0.24 1.61 4.57 -0.90 -3.20 114.58 116.88 2xer h GLU 697 Ca 0.00 -0.59 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 2xer h GLU 697 Cb 0.20 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2xer h GLU 697 CO 0.00 1.23 0.08 -0.44 -1.18 0.00 0.00 179.01 178.70 2xer h ASP 698 N -0.05 0.34 0.89 1.04 3.32 -1.53 -3.15 116.42 117.28 2xer h ASP 698 Ca -0.13 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2xer h ASP 698 Cb 1.59 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2xer h ASP 698 CO 0.17 0.43 0.00 0.18 -1.72 0.00 0.00 179.24 178.30 2xer n LEU 699 N -4.77 0.32 -4.89 1.55 4.77 -1.20 -5.17 117.00 107.62 2xer n LEU 699 Ca -0.03 0.55 -0.36 0.00 -0.03 0.00 0.00 56.01 56.15 2xer n LEU 699 Cb 0.14 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2xer n LEU 699 CO 0.36 -0.24 -0.15 -1.10 -1.33 0.00 0.00 177.39 174.93 2xer s GLN 700 N -3.09 3.47 0.00 3.23 -1.52 -1.19 -5.03 119.66 115.52 2xer s GLN 700 Ca 0.09 -0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.33 2xer s GLN 700 Cb 0.13 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 2xer s GLN 700 CO 0.43 0.73 0.00 0.94 -0.25 0.00 0.00 175.29 177.15 2xer n GLN 710 N 1.58 0.00 0.03 2.91 7.27 -1.26 -5.11 117.38 122.80 2xer n GLN 710 Ca -0.16 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.80 2xer n GLN 710 Cb 0.54 -0.06 -0.05 0.00 2.41 0.00 0.00 30.24 33.08 2xer n GLN 710 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2xer h ASN 711 N 0.00 -0.17 -1.12 1.69 -1.24 -2.02 -2.47 115.58 110.25 2xer h ASN 711 Ca 0.00 0.03 0.32 0.00 0.71 0.00 0.00 56.30 57.36 2xer h ASN 711 Cb 0.00 0.08 -0.11 0.00 0.73 0.00 0.00 38.32 39.03 2xer h ASN 711 CO 0.00 -0.08 0.72 0.78 -1.29 0.00 0.00 177.43 177.56 2xer h ASN 712 N -0.07 0.38 -0.30 1.15 4.21 -2.05 0.15 115.58 119.05 2xer h ASN 712 Ca 0.04 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2xer h ASN 712 Cb 0.13 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 2xer h ASN 712 CO -0.09 -0.01 0.19 -0.61 -1.29 0.00 0.00 177.43 175.62 2xer h GLN 713 N 0.29 0.38 0.78 0.81 4.15 -1.88 0.79 115.11 120.43 2xer h GLN 713 Ca 0.67 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 60.03 2xer h GLN 713 Cb 1.85 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.46 2xer h GLN 713 CO -0.34 0.25 -0.37 2.35 -1.93 0.00 0.00 178.83 178.79 2xer h TRP 714 N 0.39 -0.97 -0.76 3.99 2.91 -0.77 -2.75 115.95 117.99 2xer h TRP 714 Ca 0.11 -0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.29 2xer h TRP 714 Cb -0.04 0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 28.89 2xer h TRP 714 CO -0.06 -0.59 0.52 1.79 -1.03 0.00 0.00 178.44 179.07 2xer h THR 715 N -1.24 0.71 0.13 2.65 1.35 -1.37 -0.62 112.91 114.52 2xer h THR 715 Ca -0.11 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 2xer h THR 715 Cb 0.81 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2xer h THR 715 CO 0.18 0.05 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.35 2xer h GLU 716 N 0.25 -0.16 0.00 4.72 4.57 -0.75 -0.81 114.58 122.40 2xer h GLU 716 Ca 0.38 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.53 2xer h GLU 716 Cb 1.10 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2xer h GLU 716 CO -0.09 -0.01 -0.17 -0.39 -1.18 0.00 0.00 179.01 177.17 2xer h VAL 717 N -0.28 0.53 -0.21 0.32 -1.51 -0.94 -2.89 116.25 111.27 2xer h VAL 717 Ca -0.02 -0.84 -0.14 0.00 -1.23 0.00 0.00 66.70 64.48 2xer h VAL 717 Cb 0.23 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2xer h VAL 717 CO 0.03 0.17 -0.41 -0.03 -1.23 0.00 0.00 177.57 176.10 2xer h MET 718 N 0.00 0.65 -0.83 5.19 1.85 -0.78 -2.26 114.93 118.75 2xer h MET 718 Ca -0.00 -0.42 0.11 0.00 -0.61 0.00 0.00 59.70 58.78 2xer h MET 718 Cb 0.55 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.58 2xer h MET 718 CO 0.02 1.03 0.54 0.74 -0.40 0.00 0.00 176.91 178.85 2xer h PHE 719 N 0.34 0.80 0.10 1.39 0.04 -0.94 -1.12 116.94 117.55 2xer h PHE 719 Ca 0.01 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 2xer h PHE 719 Cb 1.01 -0.26 0.02 0.00 2.20 0.00 0.00 35.95 38.92 2xer h PHE 719 CO 0.09 0.35 -1.20 0.52 -0.60 0.00 0.00 178.31 177.47 2xer h MET 720 N 0.73 0.54 -0.60 1.51 2.86 -1.56 0.20 114.93 118.61 2xer h MET 720 Ca 0.39 -0.72 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2xer h MET 720 Cb 0.53 0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2xer h MET 720 CO -0.16 1.31 0.32 0.00 1.06 0.00 0.00 176.91 179.44 2xer h ALA 721 N 0.41 0.77 -0.10 6.32 0.00 -1.04 -1.13 119.26 124.49 2xer h ALA 721 Ca -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2xer h ALA 721 Cb 1.87 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2xer h ALA 721 CO 0.22 0.30 -0.07 1.79 0.00 0.00 0.00 179.25 181.50 2xer h THR 722 N 0.81 1.33 0.00 0.00 1.35 -1.22 -0.57 112.91 114.62 2xer h THR 722 Ca 0.21 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2xer h THR 722 Cb 0.07 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2xer h THR 722 CO -0.03 0.32 0.00 0.03 -0.25 0.00 0.00 175.52 175.59 2xer h ARG 723 N -0.15 0.00 0.00 4.72 3.08 -0.82 -0.52 114.38 120.69 2xer h ARG 723 Ca 0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2xer h ARG 723 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2xer h ARG 723 CO 0.02 0.00 -1.93 -1.91 -1.07 0.00 0.00 179.97 175.08 2xer n GLU 724 N -2.30 0.66 0.09 0.04 2.13 -0.44 -2.60 120.64 118.23 2xer n GLU 724 Ca 0.00 -0.15 0.11 0.00 0.66 0.00 0.00 57.16 57.79 2xer n GLU 724 Cb 0.15 -1.45 0.45 0.00 0.27 0.00 0.00 31.44 30.85 2xer n GLU 724 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2xer n LEU 725 N -2.24 0.52 -0.11 4.31 4.77 -0.23 -2.62 117.00 121.41 2xer n LEU 725 Ca -0.07 0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 56.27 2xer n LEU 725 Cb 0.59 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 2xer n LEU 725 CO 0.40 -0.37 -0.73 0.18 -1.33 0.00 0.00 177.39 175.53 2xer n LEU 726 N -2.05 1.92 0.29 2.23 4.32 -0.29 -4.37 117.00 119.05 2xer n LEU 726 Ca 0.04 0.39 0.13 0.00 -0.02 0.00 0.00 56.01 56.55 2xer n LEU 726 Cb 0.27 -0.94 0.84 0.00 -1.62 0.00 0.00 43.42 41.98 2xer n LEU 726 CO 0.22 0.37 1.10 -0.09 -1.22 0.00 0.00 177.39 177.76 2xer h ARG 727 N -0.94 0.00 -6.78 3.23 2.43 -1.50 -3.43 114.38 107.38 2xer h ARG 727 Ca -0.43 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.22 2xer h ARG 727 Cb 1.41 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 31.00 2xer h ARG 727 CO -0.24 0.02 0.60 -1.50 -1.51 0.00 0.00 179.97 177.33 2xer s ILE 728 N -4.67 3.14 0.91 1.20 2.07 -1.08 -5.02 121.20 117.76 2xer s ILE 728 Ca -0.05 1.05 -0.11 0.00 -1.41 0.00 0.00 60.65 60.13 2xer s ILE 728 Cb 0.15 -3.67 0.14 0.00 0.13 0.00 0.00 42.46 39.21 2xer s ILE 728 CO 0.57 0.21 1.09 -2.84 -1.91 0.00 0.00 174.94 172.07 2xer s PRO 729 N -1.03 1.09 0.00 3.50 0.02 -1.26 -4.97 135.00 132.35 2xer s PRO 729 Ca 0.51 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.56 2xer s PRO 729 Cb -0.36 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2xer s PRO 729 CO 0.44 -2.42 0.94 0.94 -0.33 0.00 0.00 177.00 176.57 2xer n GLN 730 N -4.03 0.00 0.17 5.54 -0.06 -1.26 -3.06 117.38 114.67 2xer n GLN 730 Ca 0.08 0.46 0.10 0.00 -2.00 0.00 0.00 57.00 55.64 2xer n GLN 730 Cb 0.54 -1.44 0.56 0.00 -4.06 0.00 0.00 30.24 25.84 2xer n GLN 730 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2xer n ALA 731 N -1.85 0.95 -0.11 1.69 0.00 -1.26 -1.64 120.51 118.29 2xer n ALA 731 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 2xer n ALA 731 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2xer n ALA 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xer h ALA 732 N 1.82 0.46 -2.57 0.00 0.00 -1.93 -3.44 119.26 113.60 2xer h ALA 732 Ca 0.00 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 2xer h ALA 732 Cb 0.14 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 17.92 2xer h ALA 732 CO 0.00 0.38 0.58 1.28 0.00 0.00 0.00 179.25 181.50 2xer n LEU 733 N -4.34 3.70 -4.94 0.00 4.77 -0.65 -4.29 117.00 111.25 2xer n LEU 733 Ca -0.03 1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 56.89 2xer n LEU 733 Cb 0.40 -1.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.09 2xer n LEU 733 CO 0.43 -0.35 0.64 0.00 -1.33 0.00 0.00 177.39 176.77 2xer s ALA 734 N -0.86 3.14 -0.52 -1.18 0.00 -0.50 -4.95 121.76 116.89 2xer s ALA 734 Ca 0.58 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 2xer s ALA 734 Cb -0.56 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2xer s ALA 734 CO 0.60 -1.51 0.66 0.21 0.00 0.00 0.00 175.76 175.71 2xer s LYS 735 N -5.32 3.13 0.31 0.00 2.20 -1.26 -4.96 119.74 113.84 2xer s LYS 735 Ca 0.64 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2xer s LYS 735 Cb -0.08 -4.11 -0.12 0.00 -1.51 0.00 0.00 37.83 32.01 2xer s LYS 735 CO 0.46 -1.27 1.51 -0.35 -0.36 0.00 0.00 175.35 175.34 2xer n PRO 736 N 6.29 2.53 0.07 4.03 -0.04 -1.26 -4.67 135.00 141.96 2xer n PRO 736 Ca -0.06 0.90 -0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2xer n PRO 736 Cb 0.45 -2.63 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 2xer n PRO 736 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2xer h ILE 737 N 3.13 1.00 -3.65 0.52 2.04 -1.97 -3.45 117.51 115.14 2xer h ILE 737 Ca -0.47 -0.46 -0.43 0.00 1.00 0.00 0.00 64.86 64.50 2xer h ILE 737 Cb 1.24 1.29 -0.19 0.00 -0.74 0.00 0.00 36.82 38.43 2xer h ILE 737 CO 0.74 0.11 -0.77 -0.94 0.00 0.00 0.00 178.15 177.29 2xer s SER 738 N -5.25 2.00 -0.21 1.72 1.04 -1.26 -5.14 113.70 106.60 2xer s SER 738 Ca -0.14 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 2xer s SER 738 Cb 0.04 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.15 2xer s SER 738 CO 0.64 -0.12 0.03 -0.63 0.98 0.00 0.00 173.24 174.14 2xer s ILE 739 N -1.95 0.63 0.60 -1.02 1.01 -1.26 -4.82 121.20 114.39 2xer s ILE 739 Ca 0.07 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 2xer s ILE 739 Cb -0.06 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.21 2xer s ILE 739 CO 0.03 -0.23 0.75 -2.65 0.00 0.00 0.00 174.94 172.84 2xer n PRO 740 N 5.00 0.67 0.01 2.79 -0.02 -1.26 -4.93 135.00 137.26 2xer n PRO 740 Ca -0.09 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2xer n PRO 740 Cb 0.46 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 2xer n PRO 740 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2xer h THR 741 N 0.29 1.10 -0.32 3.45 1.35 -2.00 -3.35 112.91 113.43 2xer h THR 741 Ca -0.47 -2.89 -0.16 0.00 -0.55 0.00 0.00 66.41 62.34 2xer h THR 741 Cb 1.38 2.58 -0.10 0.00 -1.73 0.00 0.00 68.15 70.28 2xer h THR 741 CO 0.49 0.68 0.21 -0.46 -0.25 0.00 0.00 175.52 176.18 2xer n ASN 742 N -3.20 3.23 0.03 5.36 6.94 -1.26 -3.94 115.26 122.42 2xer n ASN 742 Ca -0.13 -2.51 -0.18 0.00 -0.02 0.00 0.00 54.58 51.73 2xer n ASN 742 Cb 1.02 -0.61 -0.14 0.00 -2.36 0.00 0.00 39.78 37.69 2xer n ASN 742 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2xer h LEU 743 N 1.00 0.38 -2.03 -4.53 3.38 -1.97 -3.10 115.31 108.45 2xer h LEU 743 Ca 0.20 -0.69 0.13 0.00 0.09 0.00 0.00 57.88 57.61 2xer h LEU 743 Cb 1.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 2xer h LEU 743 CO 0.35 1.61 0.34 0.58 0.09 0.00 0.00 178.44 181.41 2xer h VAL 744 N 0.07 0.67 0.18 1.22 2.07 -1.88 -1.34 116.25 117.24 2xer h VAL 744 Ca -0.34 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.86 2xer h VAL 744 Cb 2.04 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2xer h VAL 744 CO 0.12 0.00 -1.50 -1.28 0.02 0.00 0.00 177.57 174.94 2xer h SER 745 N 0.00 0.58 0.42 0.57 0.87 -1.84 -3.33 113.55 110.83 2xer h SER 745 Ca 0.21 -0.71 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 2xer h SER 745 Cb 0.90 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2xer h SER 745 CO -0.00 1.57 -0.20 0.25 -0.53 0.00 0.00 176.83 177.92 2xer h LEU 746 N 0.10 -0.48 -2.56 2.23 5.85 -1.18 -3.09 115.31 116.19 2xer h LEU 746 Ca -0.24 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2xer h LEU 746 Cb 2.07 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 43.22 2xer h LEU 746 CO 0.21 -0.19 0.01 -0.26 -0.34 0.00 0.00 178.44 177.87 2xer h PHE 747 N -0.77 0.00 -0.48 1.25 0.04 -1.61 -2.34 116.94 113.01 2xer h PHE 747 Ca -0.06 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2xer h PHE 747 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 2xer h PHE 747 CO -0.00 0.00 0.32 0.77 -0.60 0.00 0.00 178.31 178.80 2xer h SER 748 N 0.00 0.47 0.96 2.17 0.02 -1.64 -0.36 113.55 115.17 2xer h SER 748 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2xer h SER 748 Cb 0.02 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2xer h SER 748 CO -0.00 0.32 0.00 0.03 -1.14 0.00 0.00 176.83 176.04 2xer h ARG 749 N 0.54 0.00 0.00 3.45 3.08 -1.55 -3.37 114.38 116.54 2xer h ARG 749 Ca 0.19 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.88 2xer h ARG 749 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2xer h ARG 749 CO -0.05 0.00 -2.27 0.66 -1.07 0.00 0.00 179.97 177.24 2xer n TYR 750 N -2.41 0.00 -4.35 3.04 4.02 -0.19 -5.07 117.16 112.21 2xer n TYR 750 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.74 2xer n TYR 750 Cb 0.29 -0.84 -0.10 0.00 -0.02 0.00 0.00 39.34 38.67 2xer n TYR 750 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2xer s VAL 751 N -2.43 0.59 0.69 -0.72 -7.23 -0.93 -5.06 120.40 105.31 2xer s VAL 751 Ca -0.31 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.75 2xer s VAL 751 Cb 0.10 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2xer s VAL 751 CO 0.45 0.00 1.07 -1.81 -0.31 0.00 0.00 175.10 174.50 2xer s ASP 752 N -3.36 5.55 0.50 4.85 1.01 -1.26 -4.67 116.67 119.29 2xer s ASP 752 Ca 0.37 1.30 0.28 0.00 0.71 0.00 0.00 52.55 55.21 2xer s ASP 752 Cb 0.07 -2.18 1.38 0.00 1.01 0.00 0.00 42.92 43.20 2xer s ASP 752 CO 0.15 -1.29 1.85 0.03 0.21 0.00 0.00 175.17 176.12 2xer h ARG 753 N -0.62 0.12 0.58 8.23 2.47 -1.98 0.90 114.38 124.08 2xer h ARG 753 Ca -0.45 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.24 2xer h ARG 753 Cb 1.23 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2xer h ARG 753 CO 0.62 0.08 -0.28 1.96 0.56 0.00 0.00 179.97 182.91 2xer h GLN 754 N 0.12 -0.74 0.00 0.04 1.08 -2.01 -2.97 115.11 110.62 2xer h GLN 754 Ca 0.48 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 2xer h GLN 754 Cb 1.68 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.28 2xer h GLN 754 CO -0.07 -0.50 0.00 0.87 -0.95 0.00 0.00 178.83 178.18 2xer h LYS 755 N -1.14 0.00 -0.38 1.46 1.57 -1.85 -2.85 116.57 113.38 2xer h LYS 755 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2xer h LYS 755 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2xer h LYS 755 CO 0.13 0.00 -0.26 1.25 -0.57 0.00 0.00 179.45 180.00 2xer h LEU 756 N 0.00 0.81 -1.17 2.94 5.85 -0.82 -2.40 115.31 120.52 2xer h LEU 756 Ca 0.00 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2xer h LEU 756 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2xer h LEU 756 CO 0.00 1.03 -0.41 0.78 -0.34 0.00 0.00 178.44 179.50 2xer h ASN 757 N 0.68 0.00 0.90 1.25 4.21 -1.34 -2.73 115.58 118.55 2xer h ASN 757 Ca 0.09 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 2xer h ASN 757 Cb 0.79 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 2xer h ASN 757 CO 0.07 0.41 -0.49 -0.07 -1.29 0.00 0.00 177.43 176.05 2xer h LEU 758 N 0.00 -1.21 -0.94 1.61 3.38 -1.44 -2.07 115.31 114.64 2xer h LEU 758 Ca -0.00 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.24 2xer h LEU 758 Cb 0.74 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 2xer h LEU 758 CO 0.05 -0.79 0.50 -0.07 0.09 0.00 0.00 178.44 178.22 2xer h LEU 759 N -1.28 0.54 0.53 1.67 3.38 -1.41 0.82 115.31 119.55 2xer h LEU 759 Ca -0.12 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2xer h LEU 759 Cb 1.01 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2xer h LEU 759 CO 0.16 0.10 -0.49 -0.33 0.09 0.00 0.00 178.44 177.97 2xer h GLU 760 N 0.54 -0.97 0.00 1.13 5.08 -1.24 0.58 114.58 119.70 2xer h GLU 760 Ca 0.58 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.99 2xer h GLU 760 Cb 1.06 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2xer h GLU 760 CO -0.47 -0.64 -0.07 1.15 -1.00 0.00 0.00 179.01 177.98 2xer h THR 761 N -1.00 0.59 0.17 1.13 2.02 -0.63 0.54 112.91 115.73 2xer h THR 761 Ca -0.07 -0.29 -0.31 0.00 0.77 0.00 0.00 66.41 66.51 2xer h THR 761 Cb 0.86 1.18 0.03 0.00 -1.74 0.00 0.00 68.15 68.48 2xer h THR 761 CO -0.04 0.07 -1.33 0.50 0.37 0.00 0.00 175.52 175.09 2xer h LYS 762 N 0.00 0.60 -0.13 6.66 3.64 -0.37 -3.33 116.57 123.64 2xer h LYS 762 Ca -0.00 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.51 2xer h LYS 762 Cb 0.18 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2xer h LYS 762 CO 0.01 1.40 0.00 1.28 -2.27 0.00 0.00 179.45 179.87 2xer n LEU 763 N -3.76 2.37 0.00 5.20 4.77 0.15 -5.05 117.00 120.69 2xer n LEU 763 Ca -0.15 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 2xer n LEU 763 Cb 1.03 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2xer n LEU 763 CO 0.59 0.50 0.00 0.00 -1.33 0.00 0.00 177.39 177.15