#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xer h LYS 518 N 0.00 0.00 0.00 -0.67 2.10 -2.06 -2.83 116.57 113.10 2xer h LYS 518 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2xer h LYS 518 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2xer h LYS 518 CO 0.00 0.00 0.11 -0.09 -2.00 0.00 0.00 179.45 177.47 2xer h ARG 519 N 0.00 0.00 -0.04 0.07 2.43 -2.02 0.11 114.38 114.93 2xer h ARG 519 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2xer h ARG 519 Cb 0.88 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2xer h ARG 519 CO 0.00 0.00 -0.85 0.00 -1.51 0.00 0.00 179.97 177.61 2xer h ARG 520 N 0.00 0.43 0.00 0.20 3.08 -1.93 -2.15 114.38 114.01 2xer h ARG 520 Ca 0.00 -0.41 -0.16 0.00 0.07 0.00 0.00 59.98 59.48 2xer h ARG 520 Cb 0.23 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2xer h ARG 520 CO 0.00 1.06 -0.78 0.87 -1.07 0.00 0.00 179.97 180.06 2xer h LYS 521 N 0.27 0.00 -0.01 0.04 1.57 -0.98 -3.05 116.57 114.40 2xer h LYS 521 Ca -0.06 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 2xer h LYS 521 Cb 1.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.79 2xer h LYS 521 CO 0.15 0.78 -0.74 1.15 -0.57 0.00 0.00 179.45 180.21 2xer h THR 522 N 0.00 1.37 0.00 -0.16 2.02 -1.46 -2.46 112.91 112.22 2xer h THR 522 Ca -0.01 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2xer h THR 522 Cb 1.45 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2xer h THR 522 CO 0.10 0.63 0.00 -0.07 0.37 0.00 0.00 175.52 176.55 2xer h LEU 523 N 0.10 0.00 0.13 2.58 3.38 -1.44 0.33 115.31 120.39 2xer h LEU 523 Ca -0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 2xer h LEU 523 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2xer h LEU 523 CO 0.15 0.00 -1.75 0.58 0.09 0.00 0.00 178.44 177.51 2xer h VAL 524 N 0.00 0.91 -0.34 1.22 2.07 -1.44 -3.01 116.25 115.67 2xer h VAL 524 Ca 0.00 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 2xer h VAL 524 Cb 0.15 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2xer h VAL 524 CO 0.00 0.82 0.20 0.40 0.02 0.00 0.00 177.57 179.01 2xer h ILE 525 N 0.08 1.12 -0.29 4.57 1.08 -0.78 -0.38 117.51 122.90 2xer h ILE 525 Ca -0.33 -0.31 0.06 0.00 -0.39 0.00 0.00 64.86 63.89 2xer h ILE 525 Cb 2.05 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 36.46 2xer h ILE 525 CO 0.14 0.13 -0.04 0.40 -0.69 0.00 0.00 178.15 178.08 2xer h ILE 526 N 0.43 0.74 -0.27 -0.67 2.04 -1.10 -0.55 117.51 118.13 2xer h ILE 526 Ca 0.12 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2xer h ILE 526 Cb 0.03 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2xer h ILE 526 CO -0.02 0.01 0.09 -0.33 0.00 0.00 0.00 178.15 177.90 2xer h GLU 527 N 0.04 0.41 -0.86 2.37 4.39 -1.37 0.59 114.58 120.14 2xer h GLU 527 Ca 0.14 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.85 2xer h GLU 527 Cb 0.21 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 2xer h GLU 527 CO -0.28 0.47 0.56 0.87 -1.16 0.00 0.00 179.01 179.47 2xer h LYS 528 N 0.28 0.85 0.12 2.33 1.57 -0.86 -1.30 116.57 119.56 2xer h LYS 528 Ca 0.09 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 2xer h LYS 528 Cb 0.22 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2xer h LYS 528 CO -0.00 0.56 -1.38 1.15 -0.57 0.00 0.00 179.45 179.21 2xer h THR 529 N 0.87 1.33 0.00 -0.16 2.02 -0.62 -3.12 112.91 113.23 2xer h THR 529 Ca 0.39 -2.94 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 2xer h THR 529 Cb 0.37 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2xer h THR 529 CO -0.16 0.85 -0.15 0.22 0.37 0.00 0.00 175.52 176.65 2xer h TYR 530 N 0.07 0.00 -0.04 3.16 5.03 0.53 -0.34 116.97 125.38 2xer h TYR 530 Ca -0.18 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 60.94 2xer h TYR 530 Cb 1.99 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.26 2xer h TYR 530 CO 0.06 0.15 -0.77 1.03 -1.32 0.00 0.00 178.16 177.31 2xer h SER 531 N 0.00 0.38 -0.17 -2.11 0.87 -1.26 -2.44 113.55 108.82 2xer h SER 531 Ca -0.00 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.24 2xer h SER 531 Cb 0.51 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2xer h SER 531 CO 0.02 1.01 -0.10 -0.07 -0.53 0.00 0.00 176.83 177.16 2xer h LEU 532 N 0.20 0.38 -0.12 2.23 3.38 -1.22 -2.84 115.31 117.33 2xer h LEU 532 Ca -0.04 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2xer h LEU 532 Cb 1.35 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 2xer h LEU 532 CO 0.13 0.73 -0.14 0.25 0.09 0.00 0.00 178.44 179.49 2xer h LEU 533 N 0.04 -0.45 -1.62 1.67 5.85 -1.11 -0.34 115.31 119.35 2xer h LEU 533 Ca 0.04 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2xer h LEU 533 Cb 0.59 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2xer h LEU 533 CO 0.03 -0.19 0.41 -0.07 -0.34 0.00 0.00 178.44 178.28 2xer h LEU 534 N -0.18 0.38 0.66 2.25 3.38 -1.48 0.25 115.31 120.58 2xer h LEU 534 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2xer h LEU 534 Cb 0.31 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2xer h LEU 534 CO -0.23 0.23 -0.32 0.44 0.09 0.00 0.00 178.44 178.65 2xer h ASP 535 N 0.42 -0.75 -0.72 -0.43 3.32 -1.05 -1.62 116.42 115.58 2xer h ASP 535 Ca 0.28 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.41 2xer h ASP 535 Cb 0.55 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.25 2xer h ASP 535 CO -0.08 -0.40 0.48 0.58 -1.72 0.00 0.00 179.24 178.09 2xer h VAL 536 N -1.12 0.96 0.00 -1.35 2.07 -0.13 -0.07 116.25 116.62 2xer h VAL 536 Ca -0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2xer h VAL 536 Cb 0.72 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2xer h VAL 536 CO 0.15 0.12 -0.12 -0.33 0.02 0.00 0.00 177.57 177.41 2xer h GLU 537 N 0.66 0.00 0.00 1.57 5.08 -0.56 -3.16 114.58 118.17 2xer h GLU 537 Ca 0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 2xer h GLU 537 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2xer h GLU 537 CO -0.11 0.12 -0.51 0.22 -1.00 0.00 0.00 179.01 177.72 2xer h ASP 538 N 0.00 0.00 -0.63 1.42 3.58 0.01 -3.26 116.42 117.54 2xer h ASP 538 Ca -0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2xer h ASP 538 Cb 1.04 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 2xer h ASP 538 CO 0.02 0.51 0.42 1.88 -2.88 0.00 0.00 179.24 179.19 2xer h TYR 539 N 0.00 0.50 0.00 0.28 0.05 -1.43 0.42 116.97 116.79 2xer h TYR 539 Ca -0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2xer h TYR 539 Cb 1.13 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2xer h TYR 539 CO 0.00 0.24 0.00 0.93 -1.05 0.00 0.00 178.16 178.28 2xer h GLU 540 N 0.48 0.00 0.14 4.88 5.08 -1.76 0.79 114.58 124.18 2xer h GLU 540 Ca 0.29 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2xer h GLU 540 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 2xer h GLU 540 CO -0.09 0.00 -0.87 -0.09 -1.00 0.00 0.00 179.01 176.96 2xer h ARG 541 N 0.00 0.35 -0.00 2.33 2.43 -1.15 -3.32 114.38 115.03 2xer h ARG 541 Ca 0.00 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2xer h ARG 541 Cb 0.57 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2xer h ARG 541 CO 0.00 1.25 -0.01 0.54 -1.51 0.00 0.00 179.97 180.24 2xer n ARG 542 N -4.08 0.14 0.02 0.20 1.74 -0.56 -3.18 116.66 110.94 2xer n ARG 542 Ca -0.14 -0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.75 2xer n ARG 542 Cb 0.84 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.64 2xer n ARG 542 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2xer h TYR 543 N 0.01 0.40 0.00 -1.55 0.05 0.44 -3.25 116.97 113.07 2xer h TYR 543 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2xer h TYR 543 Cb 0.43 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2xer h TYR 543 CO 0.00 1.27 0.00 1.25 -1.05 0.00 0.00 178.16 179.63 2xer h LEU 544 N -0.52 0.00 -1.39 3.88 6.46 -1.64 -2.78 115.31 119.31 2xer h LEU 544 Ca -0.13 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2xer h LEU 544 Cb 1.50 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.41 2xer h LEU 544 CO 0.10 0.00 0.13 0.25 -0.62 0.00 0.00 178.44 178.31 2xer h LEU 545 N 0.00 0.49 -4.91 2.25 5.85 -1.58 -3.33 115.31 114.09 2xer h LEU 545 Ca 0.00 -0.05 -0.61 0.00 0.84 0.00 0.00 57.88 58.06 2xer h LEU 545 Cb 0.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2xer h LEU 545 CO 0.00 0.47 3.15 -0.24 -0.34 0.00 0.00 178.44 181.48 2xer n SER 546 N -4.37 8.24 -0.09 1.25 2.88 -1.05 -3.17 113.62 117.30 2xer n SER 546 Ca 0.02 -2.61 0.13 0.00 -1.33 0.00 0.00 58.87 55.09 2xer n SER 546 Cb 0.16 -1.52 0.42 0.00 -0.75 0.00 0.00 64.21 62.51 2xer n SER 546 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2xer n LEU 547 N 3.27 0.56 0.00 2.46 4.32 -1.25 -5.15 117.00 121.20 2xer n LEU 547 Ca 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 2xer n LEU 547 Cb 0.33 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2xer n LEU 547 CO 0.74 0.12 -0.11 1.21 -1.22 0.00 0.00 177.39 178.13 2xer n GLU 548 N -1.15 0.32 0.00 3.23 2.13 -1.19 -5.27 120.64 118.70 2xer n GLU 548 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2xer n GLU 548 Cb 0.32 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.42 2xer n GLU 548 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2xer n LEU 554 N -1.40 0.00 0.06 4.31 -0.00 -1.26 -5.21 117.00 113.50 2xer n LEU 554 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2xer n LEU 554 Cb 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.46 2xer n LEU 554 CO 0.00 0.00 -0.02 0.24 -0.00 0.00 0.00 177.39 177.61 2xer h MET 555 N 0.00 0.00 -6.06 1.96 2.86 -2.04 -3.49 114.93 108.16 2xer h MET 555 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2xer h MET 555 Cb 0.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.67 2xer h MET 555 CO 0.00 0.53 -0.76 -3.47 1.06 0.00 0.00 176.91 174.26 2xer n ASP 556 N -3.11 -6.39 -1.99 1.22 2.03 -1.26 -4.87 116.55 102.19 2xer n ASP 556 Ca -0.05 -0.19 -0.23 0.00 0.52 0.00 0.00 54.79 54.83 2xer n ASP 556 Cb 0.86 -3.30 0.13 0.00 -0.72 0.00 0.00 41.12 38.09 2xer n ASP 556 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2xer n ASP 557 N -1.19 4.99 -0.28 1.67 2.03 -1.26 -4.67 116.55 117.84 2xer n ASP 557 Ca -0.08 -3.74 -0.05 0.00 0.52 0.00 0.00 54.79 51.44 2xer n ASP 557 Cb 0.60 -0.77 0.06 0.00 -0.72 0.00 0.00 41.12 40.29 2xer n ASP 557 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2xer h ARG 558 N 1.51 1.09 0.33 -0.67 2.43 -1.98 -3.07 114.38 114.03 2xer h ARG 558 Ca 0.50 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2xer h ARG 558 Cb 1.69 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2xer h ARG 558 CO 1.07 0.83 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.98 2xer h LYS 559 N 1.08 -0.43 -0.95 0.20 3.64 -2.00 -1.71 116.57 116.39 2xer h LYS 559 Ca 0.27 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.87 2xer h LYS 559 Cb 0.08 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 2xer h LYS 559 CO -0.04 -0.28 0.61 1.25 -2.27 0.00 0.00 179.45 178.72 2xer h HIS 560 N -0.46 0.76 0.00 1.91 2.76 -1.92 0.22 115.15 118.42 2xer h HIS 560 Ca -0.05 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 2xer h HIS 560 Cb 0.35 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2xer h HIS 560 CO -0.05 0.20 -0.67 0.87 -1.30 0.00 0.00 177.93 176.98 2xer h LYS 561 N 0.57 0.00 0.02 5.26 1.57 -1.39 -2.83 116.57 119.77 2xer h LYS 561 Ca 0.51 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2xer h LYS 561 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2xer h LYS 561 CO -0.25 0.67 -0.01 0.82 -0.57 0.00 0.00 179.45 180.11 2xer h ILE 562 N 0.00 1.13 -0.25 1.86 1.08 0.36 -1.65 117.51 120.03 2xer h ILE 562 Ca -0.01 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2xer h ILE 562 Cb 1.35 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.51 2xer h ILE 562 CO 0.09 0.12 -0.03 0.00 -0.69 0.00 0.00 178.15 177.64 2xer h SER 564 N 0.37 -0.27 -0.93 0.00 0.02 -1.29 -1.46 113.55 110.00 2xer h SER 564 Ca 0.08 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2xer h SER 564 Cb 0.29 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2xer h SER 564 CO 0.01 -0.14 0.60 0.24 -1.14 0.00 0.00 176.83 176.39 2xer h MET 565 N -0.38 0.92 0.08 3.45 2.07 -1.03 -1.24 114.93 118.81 2xer h MET 565 Ca -0.03 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.54 2xer h MET 565 Cb 0.29 -0.21 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 2xer h MET 565 CO 0.05 0.61 -0.04 -0.92 1.07 0.00 0.00 176.91 177.68 2xer h TYR 566 N 0.95 -0.10 0.00 -0.22 3.20 -1.17 -2.09 116.97 117.53 2xer h TYR 566 Ca 0.43 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.30 2xer h TYR 566 Cb 0.39 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2xer h TYR 566 CO -0.00 0.37 0.00 -0.40 -1.64 0.00 0.00 178.16 176.49 2xer n ASP 567 N -4.90 0.00 -0.02 -2.11 5.75 -0.57 -0.04 116.55 114.67 2xer n ASP 567 Ca -0.08 -0.22 -0.16 0.00 -0.01 0.00 0.00 54.79 54.32 2xer n ASP 567 Cb 0.27 -0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 2xer n ASP 567 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2xer h ASN 568 N 0.00 0.22 0.00 -1.12 4.21 -1.04 -3.06 115.58 114.79 2xer h ASN 568 Ca 0.00 -0.88 -0.13 0.00 1.21 0.00 0.00 56.30 56.50 2xer h ASN 568 Cb 0.13 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 2xer h ASN 568 CO 0.00 1.08 -0.41 -0.07 -1.29 0.00 0.00 177.43 176.74 2xer h LEU 569 N -0.61 0.55 -6.58 1.61 3.38 -0.50 -3.36 115.31 109.80 2xer h LEU 569 Ca -0.05 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 57.07 2xer h LEU 569 Cb 1.16 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 41.35 2xer h LEU 569 CO 0.06 0.90 -0.67 0.54 0.09 0.00 0.00 178.44 179.35 2xer n ARG 570 N -4.02 1.80 -0.94 1.13 5.12 0.95 -3.87 116.66 116.83 2xer n ARG 570 Ca -0.02 -4.29 -0.23 0.00 -1.93 0.00 0.00 57.85 51.38 2xer n ARG 570 Cb 0.51 -2.11 -0.06 0.00 -1.16 0.00 0.00 32.46 29.64 2xer n ARG 570 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xer n GLY 571 N 1.60 3.28 1.18 -0.13 0.00 -1.16 -4.52 105.19 105.44 2xer n GLY 571 Ca 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2xer n GLY 571 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2xer n ARG 578 N 3.41 0.00 -0.37 1.61 1.85 -1.26 -4.88 116.66 117.02 2xer n ARG 578 Ca 0.52 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 57.07 2xer n ARG 578 Cb 0.38 -0.39 0.28 0.00 -1.05 0.00 0.00 32.46 31.68 2xer n ARG 578 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2xer s PRO 579 N 1.35 -2.26 0.27 2.89 0.04 -1.26 -5.04 135.00 130.99 2xer s PRO 579 Ca 0.00 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.58 2xer s PRO 579 Cb 0.00 -1.43 -0.03 0.00 0.04 0.00 0.00 34.50 33.09 2xer s PRO 579 CO 0.00 -4.52 0.33 0.45 0.04 0.00 0.00 177.00 173.30 2xer s SER 580 N -2.75 5.94 0.32 6.66 0.15 -1.26 -5.02 113.70 117.74 2xer s SER 580 Ca 0.69 -0.12 0.17 0.00 0.70 0.00 0.00 55.95 57.39 2xer s SER 580 Cb -0.19 -1.54 0.23 0.00 -1.71 0.00 0.00 66.02 62.80 2xer s SER 580 CO 0.62 -0.15 1.52 0.44 1.20 0.00 0.00 173.24 176.87 2xer h ASP 581 N 1.22 0.00 -0.02 5.45 5.19 -1.99 -3.36 116.42 122.90 2xer h ASP 581 Ca -0.49 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.95 2xer h ASP 581 Cb 1.24 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.69 2xer h ASP 581 CO 0.59 0.42 -0.39 0.44 -3.12 0.00 0.00 179.24 177.18 2xer h ASP 582 N 0.00 -1.18 -0.75 6.45 3.32 -1.98 -0.04 116.42 122.23 2xer h ASP 582 Ca -0.00 0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.30 2xer h ASP 582 Cb 1.25 0.47 -0.08 0.00 0.22 0.00 0.00 39.33 41.19 2xer h ASP 582 CO 0.05 -0.43 0.37 -0.74 -1.72 0.00 0.00 179.24 176.77 2xer h HIS 583 N -0.53 0.65 0.00 4.55 2.76 -1.92 -1.45 115.15 119.22 2xer h HIS 583 Ca 0.06 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2xer h HIS 583 Cb 0.62 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2xer h HIS 583 CO -0.41 0.20 -0.20 0.35 -1.30 0.00 0.00 177.93 176.58 2xer h PHE 584 N 0.60 0.20 -1.00 5.26 3.57 -1.62 -3.27 116.94 120.69 2xer h PHE 584 Ca 0.38 -0.11 0.16 0.00 3.53 0.00 0.00 57.97 61.93 2xer h PHE 584 Cb 0.46 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.08 2xer h PHE 584 CO -0.11 0.92 0.61 0.28 -2.23 0.00 0.00 178.31 177.78 2xer h VAL 585 N -0.57 0.79 -0.71 1.41 2.07 -0.66 -0.17 116.25 118.41 2xer h VAL 585 Ca -0.03 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2xer h VAL 585 Cb 0.97 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2xer h VAL 585 CO 0.04 0.15 0.43 1.56 0.02 0.00 0.00 177.57 179.77 2xer h GLN 586 N 0.85 0.96 0.00 1.57 4.20 -1.37 -1.01 115.11 120.31 2xer h GLN 586 Ca 0.54 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 2xer h GLN 586 Cb 0.73 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2xer h GLN 586 CO -0.34 0.68 -0.03 0.82 -0.67 0.00 0.00 178.83 179.29 2xer h ILE 587 N 0.96 0.65 -0.47 2.54 2.04 -1.09 -1.82 117.51 120.32 2xer h ILE 587 Ca 0.25 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2xer h ILE 587 Cb -0.03 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2xer h ILE 587 CO -0.05 0.03 0.00 0.23 0.00 0.00 0.00 178.15 178.36 2xer n MET 588 N -3.96 2.38 -0.00 2.37 2.81 -0.40 -3.31 117.12 117.01 2xer n MET 588 Ca -0.03 -1.80 0.05 0.00 -1.81 0.00 0.00 57.70 54.11 2xer n MET 588 Cb 0.12 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.05 5.34 0.31 0.00 1.01 -1.21 -4.85 121.20 119.75 2xer s ILE 590 Ca 0.03 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.03 2xer s ILE 590 Cb 0.08 -3.53 0.31 0.00 0.01 0.00 0.00 42.46 39.32 2xer s ILE 590 CO 0.42 0.34 1.71 -0.09 0.00 0.00 0.00 174.94 177.33 2xer h ARG 591 N 7.38 0.49 -0.08 2.79 2.43 -1.92 0.26 114.38 125.72 2xer h ARG 591 Ca -0.38 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.56 2xer h ARG 591 Cb 1.17 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2xer h ARG 591 CO 0.68 0.32 -0.78 -0.22 -1.51 0.00 0.00 179.97 178.47 2xer h LYS 592 N 0.51 0.49 -0.69 0.20 3.64 -1.94 -1.55 116.57 117.23 2xer h LYS 592 Ca 0.63 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2xer h LYS 592 Cb 1.23 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2xer h LYS 592 CO -0.50 1.06 0.17 0.78 -2.27 0.00 0.00 179.45 178.68 2xer h GLY 593 N 1.11 1.18 0.84 5.01 0.00 -1.14 0.18 103.07 110.25 2xer h GLY 593 Ca -0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 2xer h GLY 593 CO 0.14 0.68 -0.04 0.50 0.00 0.00 0.00 176.54 177.82 2xer h LYS 594 N 1.04 0.45 0.00 4.80 1.57 -1.20 -0.15 116.57 123.07 2xer h LYS 594 Ca 0.22 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2xer h LYS 594 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2xer h LYS 594 CO 0.00 0.66 0.00 -2.13 -0.57 0.00 0.00 179.45 177.42 2xer n ARG 595 N -4.59 0.14 -0.08 3.15 0.63 -0.59 -3.08 116.66 112.24 2xer n ARG 595 Ca -0.04 0.37 -0.22 0.00 -0.92 0.00 0.00 57.85 57.04 2xer n ARG 595 Cb 0.28 -1.77 -0.12 0.00 0.45 0.00 0.00 32.46 31.30 2xer n ARG 595 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 2xer n MET 596 N -2.04 0.62 0.03 -0.14 1.56 0.60 -4.11 117.12 113.64 2xer n MET 596 Ca 0.03 0.49 0.08 0.00 -0.27 0.00 0.00 57.70 58.03 2xer n MET 596 Cb 0.22 -1.74 0.51 0.00 2.15 0.00 0.00 33.22 34.36 2xer n MET 596 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2xer h VAL 597 N -0.73 1.00 -0.42 1.12 2.07 -1.00 -0.83 116.25 117.48 2xer h VAL 597 Ca -0.37 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2xer h VAL 597 Cb 1.50 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2xer h VAL 597 CO -0.14 0.07 0.04 0.00 0.02 0.00 0.00 177.57 177.56 2xer h ALA 598 N 1.79 1.29 0.00 1.67 0.00 -1.72 -1.75 119.26 120.54 2xer h ALA 598 Ca 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2xer h ALA 598 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2xer h ALA 598 CO -0.04 0.49 -0.41 0.00 0.00 0.00 0.00 179.25 179.29 2xer h ARG 599 N 0.62 0.00 0.09 0.00 2.47 -1.33 -3.30 114.38 112.92 2xer h ARG 599 Ca 0.13 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.59 2xer h ARG 599 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2xer h ARG 599 CO 0.01 0.38 -1.24 0.82 0.56 0.00 0.00 179.97 180.50 2xer h ILE 600 N 0.00 1.48 -0.79 2.04 2.04 -0.91 -3.38 117.51 117.99 2xer h ILE 600 Ca -0.01 -3.11 0.11 0.00 1.00 0.00 0.00 64.86 62.85 2xer h ILE 600 Cb 1.30 2.87 -0.08 0.00 -0.74 0.00 0.00 36.82 40.17 2xer h ILE 600 CO 0.05 0.89 0.41 -0.07 0.00 0.00 0.00 178.15 179.43 2xer h LEU 601 N 0.05 0.53 -1.94 1.44 3.38 -1.41 -1.47 115.31 115.89 2xer h LEU 601 Ca -0.12 0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2xer h LEU 601 Cb 1.93 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2xer h LEU 601 CO 0.17 0.27 0.22 1.55 0.09 0.00 0.00 178.44 180.74 2xer h PRO 602 N 0.65 0.07 0.00 1.13 0.13 -1.77 -1.24 132.00 130.96 2xer h PRO 602 Ca 0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 2xer h PRO 602 Cb 0.47 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2xer h PRO 602 CO -0.30 0.04 -0.24 0.74 -0.23 0.00 0.00 178.00 178.01 2xer h PHE 603 N 0.07 0.00 -4.29 1.56 0.04 -1.52 -3.47 116.94 109.33 2xer h PHE 603 Ca 0.14 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.41 2xer h PHE 603 Cb 0.48 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.71 2xer h PHE 603 CO -0.00 0.00 0.38 -0.51 -0.60 0.00 0.00 178.31 177.58 2xer s LEU 604 N -4.73 3.31 0.62 1.54 1.43 -0.47 -5.04 118.68 115.34 2xer s LEU 604 Ca 0.08 1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.65 2xer s LEU 604 Cb 0.11 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 2xer s LEU 604 CO 0.66 -1.16 1.12 -0.55 0.23 0.00 0.00 176.35 176.65 2xer s SER 605 N -3.50 5.28 0.11 2.29 0.15 -1.26 -4.79 113.70 111.97 2xer s SER 605 Ca 0.59 2.09 -0.26 0.00 0.70 0.00 0.00 55.95 59.07 2xer s SER 605 Cb -0.13 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.51 2xer s SER 605 CO 0.47 -1.52 1.66 0.74 1.20 0.00 0.00 173.24 175.79 2xer h THR 606 N 0.45 0.53 -0.61 6.45 2.02 -1.96 0.51 112.91 120.29 2xer h THR 606 Ca -0.48 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.81 2xer h THR 606 Cb 1.26 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.11 2xer h THR 606 CO 0.55 0.00 0.18 -0.08 0.37 0.00 0.00 175.52 176.53 2xer h GLU 607 N -0.41 0.31 0.28 6.66 4.81 -1.99 0.68 114.58 124.92 2xer h GLU 607 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2xer h GLU 607 Cb 0.42 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2xer h GLU 607 CO -0.10 0.21 -0.13 1.96 -0.73 0.00 0.00 179.01 180.21 2xer h GLN 608 N 0.32 -0.36 -0.69 1.92 4.20 -1.78 -2.10 115.11 116.63 2xer h GLN 608 Ca 0.32 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.13 2xer h GLN 608 Cb 0.45 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2xer h GLN 608 CO -0.37 -0.21 0.37 0.00 -0.67 0.00 0.00 178.83 177.95 2xer h ALA 609 N 0.29 0.94 -0.02 3.87 0.00 0.60 -0.76 119.26 124.17 2xer h ALA 609 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2xer h ALA 609 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2xer h ALA 609 CO 0.06 0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.11 2xer h ALA 610 N 1.38 1.59 -0.55 0.00 0.00 -0.80 -1.01 119.26 119.87 2xer h ALA 610 Ca 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2xer h ALA 610 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2xer h ALA 610 CO -0.21 0.31 -0.04 0.22 0.00 0.00 0.00 179.25 179.52 2xer h ASP 611 N 0.04 0.97 -0.50 0.00 3.58 -0.45 0.12 116.42 120.18 2xer h ASP 611 Ca 0.01 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.06 2xer h ASP 611 Cb 0.41 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2xer h ASP 611 CO 0.03 1.05 -0.12 0.40 -2.88 0.00 0.00 179.24 177.72 2xer h ILE 612 N 0.90 1.27 -0.23 2.25 1.08 -0.55 -1.42 117.51 120.80 2xer h ILE 612 Ca 0.16 -1.27 -0.13 0.00 -0.39 0.00 0.00 64.86 63.22 2xer h ILE 612 Cb 0.58 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2xer h ILE 612 CO 0.03 0.45 -0.38 0.25 -0.69 0.00 0.00 178.15 177.81 2xer h LEU 613 N 0.88 0.74 -0.12 1.44 5.85 -1.05 -0.93 115.31 122.12 2xer h LEU 613 Ca 0.14 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2xer h LEU 613 Cb 0.68 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2xer h LEU 613 CO 0.05 1.12 -0.17 0.24 -0.34 0.00 0.00 178.44 179.34 2xer h MET 614 N 0.38 -0.20 -0.06 1.25 2.86 -0.70 0.97 114.93 119.42 2xer h MET 614 Ca 0.02 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2xer h MET 614 Cb 0.97 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2xer h MET 614 CO 0.09 -0.14 -0.15 1.15 1.06 0.00 0.00 176.91 178.92 2xer h THR 615 N -0.21 1.14 0.53 2.22 2.02 -1.22 -0.54 112.91 116.85 2xer h THR 615 Ca 0.09 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 2xer h THR 615 Cb 0.35 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2xer h THR 615 CO -0.25 0.19 -0.26 0.74 0.37 0.00 0.00 175.52 176.32 2xer h THR 616 N 0.09 0.00 -0.77 3.16 2.02 -0.42 -2.95 112.91 114.04 2xer h THR 616 Ca 0.02 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 66.83 2xer h THR 616 Cb 0.32 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.65 2xer h THR 616 CO 0.02 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.31 2xer h ALA 617 N -1.20 1.09 -0.50 6.16 0.00 -0.74 0.20 119.26 124.28 2xer h ALA 617 Ca -0.07 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2xer h ALA 617 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2xer h ALA 617 CO 0.12 -0.03 0.34 -0.09 0.00 0.00 0.00 179.25 179.58 2xer h ARG 618 N 0.64 0.33 -0.04 0.00 2.43 -1.18 -2.56 114.38 114.00 2xer h ARG 618 Ca 0.39 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2xer h ARG 618 Cb 0.44 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2xer h ARG 618 CO -0.29 0.22 -0.33 0.09 -1.51 0.00 0.00 179.97 178.15 2xer n ASN 619 N -4.47 2.00 -0.10 -3.80 3.02 -0.14 -4.84 115.26 106.93 2xer n ASN 619 Ca 0.07 -3.68 -0.10 0.00 -0.03 0.00 0.00 54.58 50.84 2xer n ASN 619 Cb 0.32 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.79 0.45 -1.23 3.41 5.85 -0.26 -2.41 115.31 121.91 2xer h LEU 620 Ca 0.02 -0.23 0.19 0.00 0.84 0.00 0.00 57.88 58.70 2xer h LEU 620 Cb 1.08 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 2xer h LEU 620 CO 0.05 0.57 0.61 -0.65 -0.34 0.00 0.00 178.44 178.67 2xer h PRO 621 N 0.31 0.62 -0.03 5.25 0.11 -1.86 0.42 132.00 136.83 2xer h PRO 621 Ca 0.09 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 2xer h PRO 621 Cb 0.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2xer h PRO 621 CO 0.00 0.41 -0.11 0.35 -0.21 0.00 0.00 178.00 178.44 2xer h PHE 622 N 0.64 0.16 -0.34 0.65 3.57 -1.92 -2.94 116.94 116.76 2xer h PHE 622 Ca 0.52 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 62.01 2xer h PHE 622 Cb 0.97 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2xer h PHE 622 CO -0.00 0.76 0.23 -0.07 -2.23 0.00 0.00 178.31 177.00 2xer h LEU 623 N -0.48 0.18 -0.30 0.59 3.38 -0.80 -1.40 115.31 116.47 2xer h LEU 623 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2xer h LEU 623 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2xer h LEU 623 CO 0.02 0.12 0.12 0.40 0.09 0.00 0.00 178.44 179.19 2xer h ILE 624 N 0.20 1.18 0.18 1.22 2.04 -0.17 -2.77 117.51 119.40 2xer h ILE 624 Ca 0.15 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2xer h ILE 624 Cb 0.35 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2xer h ILE 624 CO -0.03 0.19 -0.25 0.11 0.00 0.00 0.00 178.15 178.18 2xer h LYS 625 N 0.34 -0.48 0.00 2.37 1.57 -1.09 -1.39 116.57 117.89 2xer h LYS 625 Ca 0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2xer h LYS 625 Cb 0.19 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2xer h LYS 625 CO -0.01 -0.32 0.00 1.63 -0.57 0.00 0.00 179.45 180.18 2xer n LYS 626 N -5.37 0.28 -0.12 3.15 4.76 -0.99 -1.59 118.16 118.28 2xer n LYS 626 Ca -0.07 0.06 0.07 0.00 -2.87 0.00 0.00 58.31 55.49 2xer n LYS 626 Cb 0.28 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.09 2.53 -0.11 4.39 2.03 -0.55 -4.68 116.55 119.07 2xer n ASP 627 Ca 0.07 -2.74 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 2xer n ASP 627 Cb 0.05 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 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 0.40 0.44 0.02 -1.67 0.00 -0.97 -0.63 119.26 116.85 2xer h ALA 628 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2xer h ALA 628 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2xer h ALA 628 CO 0.03 0.22 -0.01 1.96 0.00 0.00 0.00 179.25 181.45 2xer h GLN 629 N 0.38 -0.03 0.17 0.00 7.50 -1.84 -3.38 115.11 117.92 2xer h GLN 629 Ca 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.23 2xer h GLN 629 Cb 0.48 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.01 2xer h GLN 629 CO 0.02 0.55 -0.08 -0.44 -1.50 0.00 0.00 178.83 177.38 2xer h ASP 630 N -0.64 -0.19 -6.17 1.46 3.32 -1.83 -3.47 116.42 108.89 2xer h ASP 630 Ca -0.00 -0.26 -0.44 0.00 0.02 0.00 0.00 57.03 56.34 2xer h ASP 630 Cb 0.60 0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.22 2xer h ASP 630 CO 0.01 0.18 -0.82 -0.62 -1.72 0.00 0.00 179.24 176.26 2xer n GLU 631 N -5.03 -4.87 -0.01 3.56 1.02 -0.24 -4.89 120.64 110.17 2xer n GLU 631 Ca -0.09 0.59 0.07 0.00 -0.02 0.00 0.00 57.16 57.71 2xer n GLU 631 Cb 0.23 -5.17 0.06 0.00 -0.02 0.00 0.00 31.44 26.54 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 -4.37 0.06 -0.33 2.62 0.24 -1.26 -4.54 118.33 110.74 2xer n VAL 632 Ca -0.23 -0.53 0.03 0.00 -2.04 0.00 0.00 64.34 61.57 2xer n VAL 632 Cb 0.65 1.24 0.17 0.00 -1.47 0.00 0.00 33.84 34.43 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 2.62 0.86 -0.36 1.34 3.38 -1.90 -2.27 115.31 118.98 2xer h LEU 633 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2xer h LEU 633 Cb 0.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2xer h LEU 633 CO 0.00 0.52 0.09 -2.65 0.09 0.00 0.00 178.44 176.48 2xer n PRO 634 N -4.62 0.04 0.13 1.13 -0.02 -1.26 -0.98 135.00 129.41 2xer n PRO 634 Ca 0.15 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 2xer n PRO 634 Cb 0.24 -1.70 0.28 0.00 -0.02 0.00 0.00 33.50 32.29 2xer n PRO 634 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xer n LEU 636 N -2.53 0.67 -0.16 0.00 4.77 -0.16 -4.19 117.00 115.40 2xer n LEU 636 Ca 0.04 0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 56.54 2xer n LEU 636 Cb 0.47 -0.35 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2xer n LEU 636 CO 0.33 -0.15 0.94 0.25 -1.33 0.00 0.00 177.39 177.44 2xer h LEU 637 N 0.00 0.86 0.13 2.23 7.12 -1.63 -2.31 115.31 121.71 2xer h LEU 637 Ca 0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 2xer h LEU 637 Cb 0.69 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 2xer h LEU 637 CO 0.00 0.86 -0.06 -1.28 -0.13 0.00 0.00 178.44 177.83 2xer h SER 638 N 0.87 -0.14 -0.82 1.25 0.87 -1.78 -1.64 113.55 112.16 2xer h SER 638 Ca 0.18 -0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2xer h SER 638 Cb 0.36 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 2xer h SER 638 CO 0.00 0.25 0.54 -0.65 -0.53 0.00 0.00 176.83 176.44 2xer h PRO 639 N -0.56 0.92 -0.15 2.24 0.11 -1.80 -2.46 132.00 130.31 2xer h PRO 639 Ca -0.02 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 2xer h PRO 639 Cb 0.44 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2xer h PRO 639 CO 0.03 0.61 -0.48 0.74 -0.21 0.00 0.00 178.00 178.69 2xer h PHE 640 N 0.95 0.46 0.09 0.65 0.04 -1.38 -3.07 116.94 114.67 2xer h PHE 640 Ca 0.34 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2xer h PHE 640 Cb 0.15 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2xer h PHE 640 CO -0.00 0.78 -0.04 0.77 -0.60 0.00 0.00 178.31 179.22 2xer h SER 641 N 0.30 -0.11 -0.67 2.17 0.02 -0.82 -0.55 113.55 113.90 2xer h SER 641 Ca 0.02 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2xer h SER 641 Cb 0.95 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 2xer h SER 641 CO 0.08 0.11 0.30 -0.07 -1.14 0.00 0.00 176.83 176.11 2xer h LEU 642 N -0.32 0.36 -0.42 5.07 3.38 -1.57 -0.85 115.31 120.97 2xer h LEU 642 Ca -0.01 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2xer h LEU 642 Cb 0.27 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2xer h LEU 642 CO 0.02 0.21 0.17 0.25 0.09 0.00 0.00 178.44 179.17 2xer h LEU 643 N 0.52 0.20 -2.04 1.67 5.85 -1.41 -2.44 115.31 117.66 2xer h LEU 643 Ca 0.34 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 2xer h LEU 643 Cb 0.38 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2xer h LEU 643 CO -0.29 0.15 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.80 2xer h LEU 644 N 0.34 0.00 -0.62 2.25 3.38 0.26 -1.53 115.31 119.39 2xer h LEU 644 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2xer h LEU 644 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2xer h LEU 644 CO -0.18 0.09 0.00 -1.22 0.09 0.00 0.00 178.44 177.22 2xer n TYR 645 N -3.78 0.20 -0.74 1.13 4.01 -0.66 -3.75 117.16 113.58 2xer n TYR 645 Ca -0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2xer n TYR 645 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2xer n TYR 645 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2xer n HIS 646 N -0.05 0.00 -3.35 -0.72 8.25 -0.59 -5.07 115.22 113.69 2xer n HIS 646 Ca 0.08 -0.01 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 2xer n HIS 646 Cb 0.16 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.03 4.46 1.13 2.41 1.43 -1.12 -5.07 118.68 121.89 2xer s LEU 647 Ca 0.00 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 2xer s LEU 647 Cb 0.00 -2.76 0.20 0.00 0.03 0.00 0.00 46.19 43.66 2xer s LEU 647 CO 0.00 0.23 0.62 -0.81 0.23 0.00 0.00 176.35 176.62 2xer n PRO 648 N 2.18 -1.91 -0.28 1.29 -0.04 -1.26 -4.74 135.00 130.25 2xer n PRO 648 Ca -0.11 -0.53 -0.04 0.00 -0.04 0.00 0.00 63.50 62.78 2xer n PRO 648 Cb 0.51 -1.99 0.07 0.00 -0.04 0.00 0.00 33.50 32.05 2xer n PRO 648 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2xer h SER 649 N -2.35 0.88 -0.97 3.54 0.87 -1.97 -2.72 113.55 110.82 2xer h SER 649 Ca -0.57 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.05 2xer h SER 649 Cb 1.34 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 63.01 2xer h SER 649 CO 0.44 0.63 0.62 -0.37 -0.53 0.00 0.00 176.83 177.62 2xer h VAL 650 N 1.03 1.04 -0.15 2.23 -1.51 -2.00 -0.12 116.25 116.78 2xer h VAL 650 Ca 0.28 -0.38 -0.17 0.00 -1.23 0.00 0.00 66.70 65.21 2xer h VAL 650 Cb -0.12 -0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 28.89 2xer h VAL 650 CO -0.06 0.20 -0.61 0.28 -1.23 0.00 0.00 177.57 176.14 2xer h SER 651 N 1.09 0.59 0.13 4.19 0.02 -1.84 -2.32 113.55 115.42 2xer h SER 651 Ca 0.44 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 2xer h SER 651 Cb 0.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2xer h SER 651 CO -0.19 1.06 -0.37 0.40 -1.14 0.00 0.00 176.83 176.58 2xer h ILE 652 N 0.38 1.30 -0.20 3.27 1.08 -1.05 -2.16 117.51 120.12 2xer h ILE 652 Ca -0.01 -1.45 -0.11 0.00 -0.39 0.00 0.00 64.86 62.90 2xer h ILE 652 Cb 1.17 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 2xer h ILE 652 CO 0.11 0.44 -0.30 0.74 -0.69 0.00 0.00 178.15 178.46 2xer h THR 653 N 0.28 1.33 -0.70 -0.27 2.02 -0.93 -1.84 112.91 112.80 2xer h THR 653 Ca 0.03 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 2xer h THR 653 Cb 0.79 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 2xer h THR 653 CO 0.06 0.46 0.24 0.28 0.37 0.00 0.00 175.52 176.93 2xer h SER 654 N 0.23 1.00 -0.47 4.18 0.02 -1.34 -2.09 113.55 115.08 2xer h SER 654 Ca 0.02 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 2xer h SER 654 Cb 0.87 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2xer h SER 654 CO 0.07 0.93 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.57 2xer h LEU 655 N 1.02 0.85 -1.33 5.07 3.38 -1.40 -1.56 115.31 121.34 2xer h LEU 655 Ca 0.23 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2xer h LEU 655 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2xer h LEU 655 CO -0.01 0.99 0.06 -0.07 0.09 0.00 0.00 178.44 179.49 2xer h LEU 656 N 0.71 0.46 -0.14 1.67 3.38 -1.15 0.62 115.31 120.86 2xer h LEU 656 Ca 0.13 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2xer h LEU 656 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2xer h LEU 656 CO 0.03 0.49 -0.97 0.03 0.09 0.00 0.00 178.44 178.11 2xer h ARG 657 N 0.49 0.16 -0.01 1.13 3.08 -1.20 -1.57 114.38 116.46 2xer h ARG 657 Ca 0.11 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 2xer h ARG 657 Cb 0.24 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2xer h ARG 657 CO 0.00 1.01 -0.83 1.96 -1.07 0.00 0.00 179.97 181.04 2xer h GLN 658 N 0.07 0.23 0.05 0.04 1.08 -0.93 -2.15 115.11 113.50 2xer h GLN 658 Ca -0.05 -0.23 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 2xer h GLN 658 Cb 1.65 0.06 0.01 0.00 -0.05 0.00 0.00 27.48 29.16 2xer h GLN 658 CO 0.15 0.93 -0.54 1.25 -0.95 0.00 0.00 178.83 179.66 2xer h LEU 659 N 0.13 0.39 -0.36 1.46 5.85 -0.90 -3.35 115.31 118.54 2xer h LEU 659 Ca -0.04 -0.85 -0.19 0.00 0.84 0.00 0.00 57.88 57.64 2xer h LEU 659 Cb 1.44 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2xer h LEU 659 CO 0.13 1.21 -0.67 0.24 -0.34 0.00 0.00 178.44 179.01 2xer h MET 660 N -0.37 0.62 0.00 1.25 2.86 -1.39 -3.44 114.93 114.46 2xer h MET 660 Ca -0.08 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2xer h MET 660 Cb 1.33 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2xer h MET 660 CO 0.10 1.07 0.00 -1.71 1.06 0.00 0.00 176.91 177.44 2xer n ASN 661 N -3.92 0.00 -4.92 1.22 4.05 -0.81 -4.08 115.26 106.80 2xer n ASN 661 Ca -0.05 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.69 2xer n ASN 661 Cb 0.68 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.65 2xer n ASN 661 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2xer s LEU 662 N 0.00 4.33 0.42 1.20 1.43 -1.26 -4.95 118.68 119.85 2xer s LEU 662 Ca 0.00 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 2xer s LEU 662 Cb 0.00 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 2xer s LEU 662 CO 0.00 0.11 1.44 -2.84 0.23 0.00 0.00 176.35 175.29 2xer s PRO 663 N -2.76 3.87 0.00 1.29 0.02 -1.26 -2.09 135.00 134.07 2xer s PRO 663 Ca 0.36 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2xer s PRO 663 Cb -0.12 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2xer s PRO 663 CO 0.28 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 2xer n GLY 664 N 0.54 2.92 3.76 0.52 0.00 -1.26 -5.00 105.19 106.67 2xer n GLY 664 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2xer n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xer s SER 665 N -3.65 5.58 0.53 1.61 0.01 -0.89 -4.88 113.70 112.02 2xer s SER 665 Ca 0.00 2.76 0.27 0.00 1.31 0.00 0.00 55.95 60.29 2xer s SER 665 Cb 0.00 -2.64 1.49 0.00 0.21 0.00 0.00 66.02 65.08 2xer s SER 665 CO 0.00 -1.36 2.11 -0.65 0.41 0.00 0.00 173.24 173.75 2xer h PRO 674 N 1.83 0.00 -0.16 12.44 0.11 -1.94 -1.76 132.00 142.52 2xer h PRO 674 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2xer h PRO 674 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2xer h PRO 674 CO 0.59 0.10 0.08 1.25 -0.21 0.00 0.00 178.00 179.81 2xer h HIS 675 N 0.00 0.23 -0.21 0.65 6.17 -1.91 -2.04 115.15 118.03 2xer h HIS 675 Ca -0.00 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.03 2xer h HIS 675 Cb 0.26 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 2xer h HIS 675 CO 0.00 0.25 -0.02 1.25 0.71 0.00 0.00 177.93 180.12 2xer h LEU 676 N 0.14 0.38 -1.91 0.26 5.85 -1.49 -2.68 115.31 115.86 2xer h LEU 676 Ca 0.06 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.46 2xer h LEU 676 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2xer h LEU 676 CO -0.01 0.62 0.09 0.74 -0.34 0.00 0.00 178.44 179.55 2xer h THR 677 N 0.13 1.00 -0.51 1.05 2.02 -1.40 -1.46 112.91 113.74 2xer h THR 677 Ca 0.06 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2xer h THR 677 Cb 0.44 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2xer h THR 677 CO 0.01 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.88 2xer h ALA 678 N 1.92 0.95 0.00 6.16 0.00 -1.04 -2.45 119.26 124.81 2xer h ALA 678 Ca 0.06 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 2xer h ALA 678 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2xer h ALA 678 CO -0.01 0.62 -1.16 -0.39 0.00 0.00 0.00 179.25 178.31 2xer h VAL 679 N 0.82 1.38 0.00 0.00 -1.51 -1.11 -3.12 116.25 112.71 2xer h VAL 679 Ca 0.15 -3.09 -0.13 0.00 -1.23 0.00 0.00 66.70 62.39 2xer h VAL 679 Cb 0.55 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.37 2xer h VAL 679 CO 0.03 0.79 -0.64 -0.07 -1.23 0.00 0.00 177.57 176.45 2xer h LEU 680 N 0.00 0.00 -0.65 4.19 3.38 -1.27 0.25 115.31 121.21 2xer h LEU 680 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2xer h LEU 680 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2xer h LEU 680 CO 0.11 0.64 -0.12 0.00 0.09 0.00 0.00 178.44 179.17 2xer n GLN 681 N -3.52 1.19 -3.74 1.13 6.02 -0.93 -2.03 117.38 115.50 2xer n GLN 681 Ca -0.00 -0.65 -0.37 0.00 -0.01 0.00 0.00 57.00 55.98 2xer n GLN 681 Cb 0.70 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.26 6.43 0.05 1.08 3.04 -1.11 -4.50 114.94 117.67 2xer s ASN 682 Ca 0.32 0.50 -0.28 0.00 0.04 0.00 0.00 52.86 53.45 2xer s ASN 682 Cb 0.20 -2.12 -0.17 0.00 -1.54 0.00 0.00 41.25 37.62 2xer s ASN 682 CO 0.43 0.31 1.50 0.11 -3.04 0.00 0.00 177.10 176.41 2xer h LYS 683 N 5.51 -0.47 -0.25 0.43 1.57 -1.86 0.96 116.57 122.45 2xer h LYS 683 Ca -0.50 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 2xer h LYS 683 Cb 1.20 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2xer h LYS 683 CO 0.65 -0.23 0.06 0.35 -0.57 0.00 0.00 179.45 179.70 2xer h PHE 684 N -0.63 0.42 -0.13 -1.35 3.57 -1.91 -0.43 116.94 116.48 2xer h PHE 684 Ca -0.05 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.44 2xer h PHE 684 Cb 0.46 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2xer h PHE 684 CO -0.02 0.50 -0.17 0.78 -2.23 0.00 0.00 178.31 177.17 2xer h GLY 685 N 0.22 -0.12 0.92 2.40 0.00 -1.73 0.13 103.07 104.89 2xer h GLY 685 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2xer h GLY 685 CO 0.00 -0.16 0.12 -2.00 0.00 0.00 0.00 176.54 174.50 2xer h LEU 686 N -0.22 0.47 -0.47 3.11 5.85 0.14 -2.10 115.31 122.08 2xer h LEU 686 Ca 0.10 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2xer h LEU 686 Cb 0.36 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2xer h LEU 686 CO -0.26 0.52 0.19 0.28 -0.34 0.00 0.00 178.44 178.83 2xer h SER 687 N 0.39 0.22 0.21 1.25 0.02 -0.70 -1.46 113.55 113.48 2xer h SER 687 Ca 0.11 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2xer h SER 687 Cb 0.21 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2xer h SER 687 CO -0.01 0.16 -0.20 0.25 -1.14 0.00 0.00 176.83 175.89 2xer h LEU 688 N 0.38 -0.53 -0.85 5.07 5.85 -0.62 -2.37 115.31 122.24 2xer h LEU 688 Ca 0.22 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.17 2xer h LEU 688 Cb 0.20 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 2xer h LEU 688 CO -0.21 -0.30 0.38 0.25 -0.34 0.00 0.00 178.44 178.22 2xer h LEU 689 N -0.44 0.35 -0.63 2.25 5.85 -1.04 -1.79 115.31 119.86 2xer h LEU 689 Ca -0.00 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2xer h LEU 689 Cb 0.41 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2xer h LEU 689 CO -0.04 0.07 0.32 -0.07 -0.34 0.00 0.00 178.44 178.38 2xer h LEU 690 N 0.46 0.81 -0.55 2.25 3.38 -0.77 -0.36 115.31 120.53 2xer h LEU 690 Ca 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2xer h LEU 690 Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2xer h LEU 690 CO -0.47 0.70 0.25 0.40 0.09 0.00 0.00 178.44 179.41 2xer h ILE 691 N 0.87 1.21 0.57 1.22 5.03 -0.95 0.63 117.51 126.08 2xer h ILE 691 Ca 0.22 -0.60 -0.02 0.00 -0.12 0.00 0.00 64.86 64.34 2xer h ILE 691 Cb 0.08 0.59 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 2xer h ILE 691 CO -0.03 0.24 -0.38 -0.07 -0.68 0.00 0.00 178.15 177.23 2xer h LEU 692 N 0.74 -0.96 -0.73 1.44 3.38 -1.08 -2.63 115.31 115.47 2xer h LEU 692 Ca 0.19 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.37 2xer h LEU 692 Cb 0.14 0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 2xer h LEU 692 CO -0.02 -0.57 0.23 -0.07 0.09 0.00 0.00 178.44 178.10 2xer h LEU 693 N -0.90 0.14 -0.90 1.67 3.38 -0.96 -0.22 115.31 117.52 2xer h LEU 693 Ca -0.07 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.27 2xer h LEU 693 Cb 0.74 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 2xer h LEU 693 CO 0.05 0.03 0.11 -1.28 0.09 0.00 0.00 178.44 177.44 2xer h SER 694 N 0.35 -0.25 0.06 -0.43 0.87 -0.51 0.68 113.55 114.31 2xer h SER 694 Ca 0.41 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 2xer h SER 694 Cb 0.66 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2xer h SER 694 CO -0.45 -0.24 0.00 0.54 -0.53 0.00 0.00 176.83 176.14 2xer n ARG 695 N -5.35 0.00 -0.06 2.24 5.12 -0.09 -2.94 116.66 115.58 2xer n ARG 695 Ca 0.21 0.45 -0.11 0.00 -1.93 0.00 0.00 57.85 56.46 2xer n ARG 695 Cb 0.68 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.43 2xer n ARG 695 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2xer h GLY 696 N 0.30 0.36 1.67 -0.13 0.00 0.33 -3.07 103.07 102.53 2xer h GLY 696 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2xer h GLY 696 CO 0.00 0.23 -0.01 -2.21 0.00 0.00 0.00 176.54 174.55 2xer n GLU 697 N -4.72 0.30 -0.09 4.80 2.13 -1.15 -3.48 120.64 118.43 2xer n GLU 697 Ca -0.04 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2xer n GLU 697 Cb 0.21 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.42 2xer n GLU 697 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2xer n ASP 698 N -1.34 3.27 -3.50 4.31 9.92 -1.16 -4.55 116.55 123.50 2xer n ASP 698 Ca 0.12 -1.98 -0.37 0.00 -0.53 0.00 0.00 54.79 52.03 2xer n ASP 698 Cb 0.27 -0.59 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 2xer n ASP 698 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2xer n LEU 699 N 0.72 4.43 0.00 0.64 4.77 -1.23 -5.10 117.00 121.24 2xer n LEU 699 Ca 0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 2xer n LEU 699 Cb 0.47 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 2xer n LEU 699 CO 0.00 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.03 2xer n GLN 700 N 6.18 0.00 0.00 3.23 6.02 -1.26 -5.22 117.38 126.33 2xer n GLN 700 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2xer n GLN 700 Cb 0.33 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 31.16 2xer n GLN 700 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2xer n ASN 711 N 0.12 0.00 -0.15 1.08 4.13 -1.26 -5.09 115.26 114.08 2xer n ASN 711 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 2xer n ASN 711 Cb 0.00 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.40 2xer n ASN 711 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2xer h ASN 712 N 0.00 0.83 -0.20 6.41 -1.24 -2.06 -3.03 115.58 116.29 2xer h ASN 712 Ca 0.00 -0.16 -0.12 0.00 0.71 0.00 0.00 56.30 56.73 2xer h ASN 712 Cb 0.00 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.83 2xer h ASN 712 CO 0.00 0.82 -0.36 1.56 -1.29 0.00 0.00 177.43 178.16 2xer h GLN 713 N 0.85 0.60 -0.19 6.67 4.20 -2.03 -3.06 115.11 122.14 2xer h GLN 713 Ca 0.18 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2xer h GLN 713 Cb 0.32 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2xer h GLN 713 CO 0.00 0.99 0.12 -1.49 -0.67 0.00 0.00 178.83 177.78 2xer h TRP 714 N 0.28 0.25 -0.80 2.96 4.06 -1.96 -0.04 115.95 120.70 2xer h TRP 714 Ca 0.01 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.02 2xer h TRP 714 Cb 0.95 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 2xer h TRP 714 CO 0.09 0.19 0.52 1.79 -3.56 0.00 0.00 178.44 177.47 2xer h THR 715 N 0.24 1.08 0.89 1.49 1.35 -1.63 0.42 112.91 116.75 2xer h THR 715 Ca 0.07 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 2xer h THR 715 Cb 0.01 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 66.52 2xer h THR 715 CO -0.01 0.17 -0.43 -0.08 -0.25 0.00 0.00 175.52 174.92 2xer h GLU 716 N 0.92 -1.15 0.00 4.72 4.57 -1.21 -1.64 114.58 120.79 2xer h GLU 716 Ca 0.33 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2xer h GLU 716 Cb 0.15 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2xer h GLU 716 CO -0.11 -0.76 0.00 -0.39 -1.18 0.00 0.00 179.01 176.57 2xer h VAL 717 N -1.29 0.00 0.03 0.32 -1.51 -0.90 -2.36 116.25 110.54 2xer h VAL 717 Ca -0.12 -0.32 -0.23 0.00 -1.23 0.00 0.00 66.70 64.80 2xer h VAL 717 Cb 0.92 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 2xer h VAL 717 CO 0.20 0.00 -1.09 0.24 -1.23 0.00 0.00 177.57 175.69 2xer h MET 718 N 0.00 0.07 0.00 5.19 2.86 -0.77 -2.42 114.93 119.86 2xer h MET 718 Ca 0.00 -0.13 -0.16 0.00 -2.06 0.00 0.00 59.70 57.36 2xer h MET 718 Cb 0.34 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2xer h MET 718 CO 0.00 1.05 -0.75 0.74 1.06 0.00 0.00 176.91 179.01 2xer h PHE 719 N 0.02 0.00 -0.03 -0.22 0.04 -0.78 -2.80 116.94 113.17 2xer h PHE 719 Ca -0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2xer h PHE 719 Cb 1.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.98 2xer h PHE 719 CO 0.02 0.75 -0.12 0.52 -0.60 0.00 0.00 178.31 178.88 2xer h MET 720 N 0.00 0.13 -0.03 1.51 2.86 -1.53 -2.55 114.93 115.33 2xer h MET 720 Ca -0.01 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2xer h MET 720 Cb 1.52 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.16 2xer h MET 720 CO 0.10 0.75 -0.17 0.00 1.06 0.00 0.00 176.91 178.65 2xer h ALA 721 N 0.38 -0.19 -0.65 6.32 0.00 -1.50 -0.97 119.26 122.65 2xer h ALA 721 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2xer h ALA 721 Cb 0.77 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2xer h ALA 721 CO 0.03 -0.66 0.18 1.79 0.00 0.00 0.00 179.25 180.59 2xer h THR 722 N -0.27 1.25 -0.57 0.00 1.35 -1.61 0.23 112.91 113.30 2xer h THR 722 Ca 0.06 -0.90 0.04 0.00 -0.55 0.00 0.00 66.41 65.06 2xer h THR 722 Cb 0.35 0.59 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 2xer h THR 722 CO -0.19 0.34 0.33 0.03 -0.25 0.00 0.00 175.52 175.79 2xer h ARG 723 N 0.96 0.62 -0.22 4.72 3.08 -1.18 0.24 114.38 122.60 2xer h ARG 723 Ca 0.21 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 60.02 2xer h ARG 723 Cb 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2xer h ARG 723 CO -0.00 0.41 -0.66 0.93 -1.07 0.00 0.00 179.97 179.58 2xer h GLU 724 N 0.64 0.81 0.00 0.04 4.39 -0.85 0.11 114.58 119.71 2xer h GLU 724 Ca 0.24 -0.59 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 2xer h GLU 724 Cb 0.07 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2xer h GLU 724 CO -0.13 1.21 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.75 2xer h LEU 725 N 0.59 0.00 0.15 1.33 3.38 -0.28 -0.09 115.31 120.39 2xer h LEU 725 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2xer h LEU 725 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2xer h LEU 725 CO 0.14 0.11 -1.61 -0.07 0.09 0.00 0.00 178.44 177.10 2xer h LEU 726 N 0.00 0.50 -0.11 1.67 3.38 -0.32 -3.39 115.31 117.04 2xer h LEU 726 Ca -0.00 -0.70 -0.09 0.00 0.09 0.00 0.00 57.88 57.19 2xer h LEU 726 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2xer h LEU 726 CO 0.01 1.58 -0.26 -0.09 0.09 0.00 0.00 178.44 179.77 2xer h ARG 727 N 0.09 0.38 -6.37 1.13 2.43 -0.71 -3.47 114.38 107.86 2xer h ARG 727 Ca -0.28 -0.25 -0.64 0.00 -0.81 0.00 0.00 59.98 58.00 2xer h ARG 727 Cb 2.06 0.04 0.05 0.00 -0.42 0.00 0.00 29.97 31.69 2xer h ARG 727 CO 0.18 0.86 0.67 1.51 -1.51 0.00 0.00 179.97 181.68 2xer n ILE 728 N -4.45 0.06 -1.65 1.20 0.13 -0.07 -4.92 119.36 109.65 2xer n ILE 728 Ca -0.07 -0.01 -0.40 0.00 -1.10 0.00 0.00 62.75 61.16 2xer n ILE 728 Cb 0.45 -1.23 0.02 0.00 -0.84 0.00 0.00 39.64 38.05 2xer n ILE 728 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 2xer n PRO 729 N 3.37 1.46 -0.02 9.51 -0.02 -1.26 -4.90 135.00 143.15 2xer n PRO 729 Ca 0.19 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.21 2xer n PRO 729 Cb 0.24 -2.21 0.34 0.00 -0.02 0.00 0.00 33.50 31.85 2xer n PRO 729 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2xer h GLN 730 N 1.49 0.56 0.00 -0.52 5.75 -1.97 -2.02 115.11 118.40 2xer h GLN 730 Ca -0.47 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 2xer h GLN 730 Cb 1.33 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2xer h GLN 730 CO 0.57 0.49 0.00 0.00 -2.65 0.00 0.00 178.83 177.24 2xer h ALA 731 N 1.59 1.00 0.00 3.38 0.00 -1.98 -3.20 119.26 120.05 2xer h ALA 731 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2xer h ALA 731 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2xer h ALA 731 CO -0.01 0.00 -0.70 0.00 0.00 0.00 0.00 179.25 178.54 2xer h ALA 732 N 2.17 0.70 -2.73 0.00 0.00 -1.73 -3.46 119.26 114.22 2xer h ALA 732 Ca 0.00 -0.38 -0.52 0.00 0.00 0.00 0.00 54.91 54.01 2xer h ALA 732 Cb 0.90 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.77 2xer h ALA 732 CO 0.00 0.46 0.68 -0.51 0.00 0.00 0.00 179.25 179.88 2xer s LEU 733 N -6.06 4.41 0.85 0.00 1.43 -1.11 -4.25 118.68 113.96 2xer s LEU 733 Ca 0.02 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 2xer s LEU 733 Cb 0.08 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.78 2xer s LEU 733 CO 0.75 -0.57 1.11 0.00 0.23 0.00 0.00 176.35 177.87 2xer s ALA 734 N -0.10 1.96 -0.60 4.21 0.00 -0.86 -4.98 121.76 121.40 2xer s ALA 734 Ca 0.56 -0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.05 2xer s ALA 734 Cb -0.38 -3.10 0.10 0.00 0.00 0.00 0.00 23.12 19.74 2xer s ALA 734 CO 0.42 -2.02 0.72 0.21 0.00 0.00 0.00 175.76 175.09 2xer s LYS 735 N -5.15 3.05 0.22 0.00 2.20 -1.26 -5.00 119.74 113.80 2xer s LYS 735 Ca 0.62 -1.27 -0.32 0.00 -0.36 0.00 0.00 55.97 54.65 2xer s LYS 735 Cb -0.15 -4.26 -0.14 0.00 -1.51 0.00 0.00 37.83 31.77 2xer s LYS 735 CO 0.54 -1.56 1.28 -0.35 -0.36 0.00 0.00 175.35 174.91 2xer n PRO 736 N 6.44 1.63 -0.22 4.03 -0.04 -1.26 -4.78 135.00 140.80 2xer n PRO 736 Ca -0.09 0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 63.88 2xer n PRO 736 Cb 0.43 -2.15 0.03 0.00 -0.04 0.00 0.00 33.50 31.77 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 2.81 1.23 -4.47 0.52 2.04 -1.96 -3.46 117.51 114.22 2xer h ILE 737 Ca -0.44 -0.72 -0.21 0.00 1.00 0.00 0.00 64.86 64.49 2xer h ILE 737 Cb 1.31 0.55 -0.14 0.00 -0.74 0.00 0.00 36.82 37.79 2xer h ILE 737 CO 0.72 0.28 -0.58 -0.94 0.00 0.00 0.00 178.15 177.64 2xer s SER 738 N -6.12 0.15 -0.07 1.72 1.04 -1.26 -5.16 113.70 104.00 2xer s SER 738 Ca -0.13 -1.31 -0.03 0.00 0.48 0.00 0.00 55.95 54.97 2xer s SER 738 Cb 0.13 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2xer s SER 738 CO 0.80 -0.85 0.06 -0.63 0.98 0.00 0.00 173.24 173.61 2xer s ILE 739 N -4.13 -0.08 0.23 -1.02 -1.09 -1.26 -4.89 121.20 108.97 2xer s ILE 739 Ca 0.35 0.30 -0.32 0.00 -2.23 0.00 0.00 60.65 58.75 2xer s ILE 739 Cb 0.06 -0.25 -0.12 0.00 -1.58 0.00 0.00 42.46 40.57 2xer s ILE 739 CO 0.10 0.09 1.68 -2.65 -1.23 0.00 0.00 174.94 172.93 2xer n PRO 740 N 5.29 2.73 0.21 2.79 -0.02 -1.26 -4.88 135.00 139.85 2xer n PRO 740 Ca -0.04 0.98 0.15 0.00 -2.02 0.00 0.00 63.50 62.57 2xer n PRO 740 Cb 0.50 -2.80 0.58 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.65 0.00 -0.34 3.45 1.35 -2.00 -2.71 112.91 116.31 2xer h THR 741 Ca -0.44 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2xer h THR 741 Cb 1.21 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2xer h THR 741 CO 0.90 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.71 2xer n ASN 742 N -2.70 2.64 0.07 5.36 6.94 -1.26 -4.36 115.26 121.95 2xer n ASN 742 Ca 0.02 -1.89 -0.12 0.00 -0.02 0.00 0.00 54.58 52.56 2xer n ASN 742 Cb 0.29 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 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 3.31 -0.25 -1.18 -4.53 3.38 -1.84 0.07 115.31 114.26 2xer h LEU 743 Ca 0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2xer h LEU 743 Cb 0.73 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 2xer h LEU 743 CO 0.00 -0.14 0.57 0.58 0.09 0.00 0.00 178.44 179.54 2xer h VAL 744 N -0.18 1.05 -0.18 1.22 2.07 -1.82 0.21 116.25 118.61 2xer h VAL 744 Ca 0.02 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2xer h VAL 744 Cb 0.20 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2xer h VAL 744 CO -0.06 0.18 -0.37 -1.28 0.02 0.00 0.00 177.57 176.05 2xer h SER 745 N 0.98 0.41 0.14 0.57 0.87 -1.73 -1.86 113.55 112.93 2xer h SER 745 Ca 0.38 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2xer h SER 745 Cb 0.23 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2xer h SER 745 CO -0.14 0.75 -0.07 0.25 -0.53 0.00 0.00 176.83 177.09 2xer h LEU 746 N 0.33 -0.16 -1.74 2.23 5.85 0.78 -3.24 115.31 119.36 2xer h LEU 746 Ca 0.03 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2xer h LEU 746 Cb 0.81 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2xer h LEU 746 CO 0.07 0.22 0.19 -0.26 -0.34 0.00 0.00 178.44 178.32 2xer h PHE 747 N -0.57 0.33 -0.01 1.25 0.04 -0.61 -2.14 116.94 115.23 2xer h PHE 747 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2xer h PHE 747 Cb 0.44 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 2xer h PHE 747 CO 0.04 0.20 0.04 0.66 -0.60 0.00 0.00 178.31 178.66 2xer h SER 748 N 0.35 0.00 1.19 2.17 4.64 -1.36 -2.00 113.55 118.55 2xer h SER 748 Ca 0.11 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 2xer h SER 748 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2xer h SER 748 CO -0.02 0.00 -0.85 0.03 -0.87 0.00 0.00 176.83 175.12 2xer h ARG 749 N 0.00 0.00 -0.13 4.77 3.08 -1.51 -3.35 114.38 117.24 2xer h ARG 749 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2xer h ARG 749 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2xer h ARG 749 CO -0.00 0.43 0.00 0.66 -1.07 0.00 0.00 179.97 179.99 2xer n TYR 750 N -3.10 0.17 -3.71 3.04 4.02 -0.79 -5.01 117.16 111.78 2xer n TYR 750 Ca -0.02 -0.30 -0.14 0.00 -0.01 0.00 0.00 57.90 57.43 2xer n TYR 750 Cb 0.77 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.99 2xer n TYR 750 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2xer s VAL 751 N -0.83 0.04 1.12 -0.72 1.01 -0.97 -4.95 120.40 115.11 2xer s VAL 751 Ca 0.12 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 2xer s VAL 751 Cb 0.07 -0.68 0.25 0.00 0.00 0.00 0.00 36.38 36.02 2xer s VAL 751 CO 0.09 -0.19 1.10 1.51 0.00 0.00 0.00 175.10 177.61 2xer s ASP 752 N -1.17 1.56 0.22 3.32 -4.77 -1.26 -4.65 116.67 109.92 2xer s ASP 752 Ca -0.12 0.89 -0.08 0.00 -3.30 0.00 0.00 52.55 49.95 2xer s ASP 752 Cb -0.04 -1.34 0.18 0.00 -1.09 0.00 0.00 42.92 40.62 2xer s ASP 752 CO 0.05 -3.75 1.82 -0.09 0.70 0.00 0.00 175.17 173.89 2xer h ARG 753 N -2.32 1.19 0.63 2.11 9.65 -1.98 -1.17 114.38 122.48 2xer h ARG 753 Ca -0.50 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.18 2xer h ARG 753 Cb 1.31 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2xer h ARG 753 CO 0.45 0.91 -0.30 0.37 2.80 0.00 0.00 179.97 184.20 2xer h GLN 754 N 1.18 -0.82 -0.23 0.20 4.15 -1.99 -1.09 115.11 116.51 2xer h GLN 754 Ca 0.29 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.79 2xer h GLN 754 Cb 0.10 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2xer h GLN 754 CO -0.04 -0.50 0.16 0.87 -1.93 0.00 0.00 178.83 177.38 2xer h LYS 755 N -1.01 0.21 -0.61 1.69 1.57 -1.93 -0.96 116.57 115.53 2xer h LYS 755 Ca -0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2xer h LYS 755 Cb 0.69 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2xer h LYS 755 CO 0.14 0.14 0.27 1.25 -0.57 0.00 0.00 179.45 180.68 2xer h LEU 756 N 0.21 0.82 -1.65 2.94 5.85 -0.96 -1.70 115.31 120.82 2xer h LEU 756 Ca 0.10 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2xer h LEU 756 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2xer h LEU 756 CO -0.02 0.74 -0.17 0.78 -0.34 0.00 0.00 178.44 179.43 2xer h ASN 757 N 0.84 0.00 -0.12 1.25 -0.26 0.12 -2.23 115.58 115.18 2xer h ASN 757 Ca 0.21 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.81 2xer h ASN 757 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2xer h ASN 757 CO -0.02 0.17 -0.43 -0.07 -1.06 0.00 0.00 177.43 176.01 2xer h LEU 758 N 0.00 0.60 -0.61 1.61 3.38 -0.67 -2.49 115.31 117.14 2xer h LEU 758 Ca -0.00 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 2xer h LEU 758 Cb 0.47 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2xer h LEU 758 CO 0.02 1.11 0.33 -0.07 0.09 0.00 0.00 178.44 179.92 2xer h LEU 759 N 0.12 0.76 -0.57 1.67 3.38 -1.12 0.28 115.31 119.83 2xer h LEU 759 Ca -0.02 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2xer h LEU 759 Cb 1.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2xer h LEU 759 CO 0.09 0.64 0.29 -0.33 0.09 0.00 0.00 178.44 179.22 2xer h GLU 760 N 0.82 0.55 -0.51 1.13 5.08 -1.43 0.24 114.58 120.46 2xer h GLU 760 Ca 0.21 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2xer h GLU 760 Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2xer h GLU 760 CO -0.03 0.36 -0.08 1.15 -1.00 0.00 0.00 179.01 179.41 2xer h THR 761 N 0.56 1.27 -0.28 1.13 2.02 -1.07 0.33 112.91 116.86 2xer h THR 761 Ca 0.25 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2xer h THR 761 Cb 0.16 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2xer h THR 761 CO -0.17 0.42 0.01 0.50 0.37 0.00 0.00 175.52 176.65 2xer h LYS 762 N 0.83 0.49 -0.38 6.66 3.64 0.31 -2.92 116.57 125.21 2xer h LYS 762 Ca 0.14 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2xer h LYS 762 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2xer h LYS 762 CO 0.04 0.64 0.00 1.28 -2.27 0.00 0.00 179.45 179.14 2xer n LEU 763 N -4.60 3.26 -3.56 5.20 4.77 0.79 -4.99 117.00 117.87 2xer n LEU 763 Ca -0.03 -1.41 -0.25 0.00 -0.03 0.00 0.00 56.01 54.29 2xer n LEU 763 Cb 0.25 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2xer n LEU 763 CO 0.38 0.71 -0.17 0.00 -1.33 0.00 0.00 177.39 176.98 2xer n GLN 764 N 1.36 -1.70 -0.16 3.23 6.02 0.96 -4.88 117.38 122.21 2xer n GLN 764 Ca 0.19 1.14 0.11 0.00 -0.01 0.00 0.00 57.00 58.44 2xer n GLN 764 Cb 0.57 -2.84 0.27 0.00 1.02 0.00 0.00 30.24 29.27 2xer n GLN 764 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2xer n LEU 765 N -1.61 2.75 -0.02 1.08 4.77 -0.13 -5.02 117.00 118.81 2xer n LEU 765 Ca -0.18 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 2xer n LEU 765 Cb 0.65 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2xer n LEU 765 CO 0.59 0.60 0.26 0.52 -1.33 0.00 0.00 177.39 178.03