#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6g s SER 516 N 0.00 6.02 0.79 4.04 0.01 -1.26 -5.09 113.70 118.21 2h6g s SER 516 Ca 0.00 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 2h6g s SER 516 Cb 0.00 -1.75 0.07 0.00 0.21 0.00 0.00 66.02 64.56 2h6g s SER 516 CO 0.00 0.11 1.14 -2.84 0.41 0.00 0.00 173.24 172.06 2h6g s PRO 517 N -2.85 1.90 0.63 12.44 0.02 -1.26 -4.88 135.00 141.01 2h6g s PRO 517 Ca 0.33 1.46 0.41 0.00 0.02 0.00 0.00 61.00 63.23 2h6g s PRO 517 Cb -0.12 -1.83 2.10 0.00 0.02 0.00 0.00 34.50 34.67 2h6g s PRO 517 CO 0.26 -1.95 2.25 -0.39 -0.33 0.00 0.00 177.00 176.84 2h6g h VAL 518 N -1.01 0.00 -0.19 3.83 -1.51 -2.04 -2.72 116.25 112.62 2h6g h VAL 518 Ca -0.45 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2h6g h VAL 518 Cb 1.26 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2h6g h VAL 518 CO 0.48 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.15 2h6g n TRP 519 N -3.09 0.25 -3.95 5.19 4.27 -1.26 -4.79 117.44 114.06 2h6g n TRP 519 Ca -0.02 -0.12 -0.16 0.00 -3.89 0.00 0.00 57.50 53.31 2h6g n TRP 519 Cb 0.15 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.94 2h6g n TRP 519 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2h6g s SER 520 N -1.45 0.39 -0.23 -0.67 0.15 -1.03 -4.21 113.70 106.65 2h6g s SER 520 Ca 0.30 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.90 2h6g s SER 520 Cb 0.16 -0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 2h6g s SER 520 CO 0.24 -0.07 0.05 -0.70 1.20 0.00 0.00 173.24 173.96 2h6g s GLU 521 N 0.75 0.70 0.32 5.44 2.12 0.04 -4.50 118.70 123.57 2h6g s GLU 521 Ca -0.08 -0.62 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 2h6g s GLU 521 Cb -0.11 -2.05 -0.13 0.00 0.26 0.00 0.00 34.13 32.10 2h6g s GLU 521 CO -0.01 -0.75 1.21 -2.30 -0.54 0.00 0.00 175.26 172.87 2h6g n PRO 522 N 4.99 1.88 -4.79 4.30 -0.02 -1.26 -4.83 135.00 135.26 2h6g n PRO 522 Ca -0.07 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 2h6g n PRO 522 Cb 0.45 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 2h6g n PRO 522 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h6g s LEU 523 N -0.50 2.60 0.19 2.45 1.43 -1.26 -5.03 118.68 118.55 2h6g s LEU 523 Ca 0.57 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2h6g s LEU 523 Cb -0.62 -1.52 0.15 0.00 0.03 0.00 0.00 46.19 44.24 2h6g s LEU 523 CO 0.61 0.29 1.81 0.22 0.23 0.00 0.00 176.35 179.50 2h6g h TYR 524 N 4.87 0.60 0.00 0.29 3.20 -1.94 -1.94 116.97 122.05 2h6g h TYR 524 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2h6g h TYR 524 Cb 1.15 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2h6g h TYR 524 CO 0.51 0.32 0.00 0.43 -1.64 0.00 0.00 178.16 177.77 2h6g n SER 525 N -4.80 0.52 -0.87 -2.11 7.64 -1.26 -2.43 113.62 110.30 2h6g n SER 525 Ca 0.05 0.66 0.10 0.00 1.01 0.00 0.00 58.87 60.69 2h6g n SER 525 Cb 0.12 -0.75 0.12 0.00 -1.01 0.00 0.00 64.21 62.68 2h6g n SER 525 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2h6g n LEU 526 N -2.10 2.86 -4.76 -3.43 4.77 -0.74 -4.89 117.00 108.71 2h6g n LEU 526 Ca 0.01 -1.18 -0.38 0.00 -0.03 0.00 0.00 56.01 54.43 2h6g n LEU 526 Cb 0.16 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2h6g n LEU 526 CO 0.15 0.54 0.91 -0.13 -1.33 0.00 0.00 177.39 177.54 2h6g s ARG 527 N -1.56 3.62 0.33 3.23 0.52 -1.02 -4.91 118.95 119.16 2h6g s ARG 527 Ca 0.27 2.01 0.01 0.00 -0.52 0.00 0.00 55.73 57.50 2h6g s ARG 527 Cb 0.18 -2.45 0.58 0.00 0.52 0.00 0.00 34.95 33.78 2h6g s ARG 527 CO 0.26 -0.73 1.97 -1.00 0.02 0.00 0.00 175.30 175.81 2h6g h PRO 528 N 2.02 0.93 0.00 3.54 0.13 -1.93 -1.25 132.00 135.44 2h6g h PRO 528 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2h6g h PRO 528 Cb 1.26 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2h6g h PRO 528 CO 0.60 0.61 0.00 -0.85 -0.23 0.00 0.00 178.00 178.13 2h6g n GLU 529 N -4.45 0.11 0.28 0.86 0.00 -1.26 -2.72 120.64 113.46 2h6g n GLU 529 Ca 0.10 0.33 0.15 0.00 0.00 0.00 0.00 57.16 57.74 2h6g n GLU 529 Cb 0.10 -1.70 0.81 0.00 0.00 0.00 0.00 31.44 30.65 2h6g n GLU 529 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2h6g h HIS 530 N 0.00 0.00 0.00 -1.84 2.76 -1.52 -1.58 115.15 112.97 2h6g h HIS 530 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2h6g h HIS 530 Cb 0.33 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 2h6g h HIS 530 CO 0.00 0.08 -0.10 0.00 -1.30 0.00 0.00 177.93 176.61 2h6g h ALA 531 N 1.92 1.32 0.00 5.26 0.00 -1.68 -1.44 119.26 124.65 2h6g h ALA 531 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2h6g h ALA 531 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2h6g h ALA 531 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2h6g h ARG 532 N 0.00 0.00 -0.04 0.00 3.08 -1.52 -2.66 114.38 113.25 2h6g h ARG 532 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h6g h ARG 532 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2h6g h ARG 532 CO 0.01 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.30 2h6g n GLU 533 N -2.39 1.29 -1.84 0.04 -0.58 -0.54 -4.89 120.64 111.73 2h6g n GLU 533 Ca 0.01 -0.43 -0.35 0.00 -0.42 0.00 0.00 57.16 55.98 2h6g n GLU 533 Cb 0.20 -1.42 0.05 0.00 -0.57 0.00 0.00 31.44 29.70 2h6g n GLU 533 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2h6g s ARG 534 N -1.96 2.76 0.30 3.49 1.81 -1.00 -4.18 118.95 120.16 2h6g s ARG 534 Ca 0.37 1.72 -0.29 0.00 -1.72 0.00 0.00 55.73 55.80 2h6g s ARG 534 Cb 0.18 -1.91 -0.13 0.00 -0.45 0.00 0.00 34.95 32.64 2h6g s ARG 534 CO 0.30 -1.35 1.32 -0.11 -0.68 0.00 0.00 175.30 174.78 2h6g n LEU 535 N -2.00 3.28 -4.13 2.53 7.94 -1.26 -4.98 117.00 118.38 2h6g n LEU 535 Ca 0.13 1.18 -0.35 0.00 -1.11 0.00 0.00 56.01 55.85 2h6g n LEU 535 Cb 0.50 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 42.88 2h6g n LEU 535 CO 0.46 -0.53 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.86 2h6g s GLN 536 N -1.25 2.08 0.00 1.96 -0.21 -1.26 -4.97 119.66 116.01 2h6g s GLN 536 Ca 0.61 -1.65 0.14 0.00 0.02 0.00 0.00 55.36 54.47 2h6g s GLN 536 Cb -0.61 -3.43 0.55 0.00 1.00 0.00 0.00 33.01 30.53 2h6g s GLN 536 CO 0.57 -0.92 1.40 -0.40 -2.12 0.00 0.00 175.29 173.82 2h6g n ASP 537 N 4.57 1.12 -1.85 5.90 5.68 -1.26 -4.90 116.55 125.81 2h6g n ASP 537 Ca -0.05 -1.79 -0.15 0.00 -0.50 0.00 0.00 54.79 52.30 2h6g n ASP 537 Cb 0.42 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 2h6g n ASP 537 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2h6g n ASP 538 N 0.03 -4.15 -1.46 -1.12 8.00 -1.26 -0.83 116.55 115.75 2h6g n ASP 538 Ca 0.12 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 2h6g n ASP 538 Cb 0.21 -3.68 -0.06 0.00 -0.02 0.00 0.00 41.12 37.58 2h6g n ASP 538 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h6g n SER 539 N -1.18 -5.09 -3.95 -2.24 7.64 -1.26 -4.96 113.62 102.58 2h6g n SER 539 Ca -0.16 0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2h6g n SER 539 Cb 0.55 -4.13 -0.15 0.00 -1.01 0.00 0.00 64.21 59.47 2h6g n SER 539 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h6g s VAL 540 N -2.69 1.87 0.00 0.44 1.01 -0.01 -5.11 120.40 115.91 2h6g s VAL 540 Ca 0.00 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 59.84 2h6g s VAL 540 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 2h6g s VAL 540 CO 0.00 -0.52 0.54 -1.61 0.00 0.00 0.00 175.10 173.51 2h6g s GLU 541 N 1.13 4.22 0.18 2.72 2.02 -1.26 -4.92 118.70 122.80 2h6g s GLU 541 Ca 0.07 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.69 2h6g s GLU 541 Cb -0.19 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 2h6g s GLU 541 CO -0.11 0.47 0.11 0.95 0.02 0.00 0.00 175.26 176.69 2h6g s THR 542 N -0.47 0.05 0.33 3.63 -4.23 -1.26 -5.02 115.64 108.67 2h6g s THR 542 Ca 0.28 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2h6g s THR 542 Cb -0.18 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.60 2h6g s THR 542 CO 0.16 -0.13 1.81 0.58 -0.54 0.00 0.00 174.62 176.50 2h6g h VAL 543 N 2.68 0.76 0.26 2.29 2.07 -1.99 -1.51 116.25 120.80 2h6g h VAL 543 Ca -0.36 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2h6g h VAL 543 Cb 1.24 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2h6g h VAL 543 CO 0.55 0.13 -0.13 0.74 0.02 0.00 0.00 177.57 178.89 2h6g h THR 544 N 0.74 0.74 -0.34 2.57 2.02 -1.96 -1.93 112.91 114.74 2h6g h THR 544 Ca 0.53 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.60 2h6g h THR 544 Cb 0.85 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2h6g h THR 544 CO -0.30 0.00 -0.24 0.77 0.37 0.00 0.00 175.52 176.12 2h6g h SER 545 N -0.35 0.69 -0.41 4.18 4.64 -1.80 -1.97 113.55 118.52 2h6g h SER 545 Ca -0.03 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2h6g h SER 545 Cb 0.27 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2h6g h SER 545 CO 0.05 0.92 0.23 0.40 -0.87 0.00 0.00 176.83 177.56 2h6g h ILE 546 N 0.60 1.15 -0.48 0.95 2.04 -1.22 -0.15 117.51 120.40 2h6g h ILE 546 Ca 0.08 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2h6g h ILE 546 Cb 0.73 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2h6g h ILE 546 CO 0.06 0.16 -0.22 -0.33 0.00 0.00 0.00 178.15 177.81 2h6g h GLU 547 N 0.54 0.99 -0.43 2.37 4.39 -1.27 -2.41 114.58 118.77 2h6g h GLU 547 Ca 0.15 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2h6g h GLU 547 Cb 0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2h6g h GLU 547 CO -0.02 1.10 0.21 0.37 -1.16 0.00 0.00 179.01 179.51 2h6g h GLN 548 N 0.85 0.62 -0.56 2.33 5.75 -1.14 -2.44 115.11 120.52 2h6g h GLN 548 Ca 0.11 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2h6g h GLN 548 Cb 0.80 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 2h6g h GLN 548 CO 0.07 0.53 0.25 0.00 -2.65 0.00 0.00 178.83 177.03 2h6g h ALA 549 N 1.06 1.39 -0.63 3.38 0.00 -0.95 -1.46 119.26 122.05 2h6g h ALA 549 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2h6g h ALA 549 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2h6g h ALA 549 CO -0.02 0.47 0.10 0.87 0.00 0.00 0.00 179.25 180.67 2h6g h LYS 550 N 0.80 1.05 -0.28 0.00 1.57 -1.10 -1.58 116.57 117.03 2h6g h LYS 550 Ca 0.20 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2h6g h LYS 550 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2h6g h LYS 550 CO -0.02 0.98 -0.08 0.28 -0.57 0.00 0.00 179.45 180.04 2h6g h VAL 551 N 0.96 1.28 -0.72 0.50 2.07 -1.00 -2.76 116.25 116.58 2h6g h VAL 551 Ca 0.19 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2h6g h VAL 551 Cb 0.44 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2h6g h VAL 551 CO 0.01 0.35 0.47 -0.33 0.02 0.00 0.00 177.57 178.09 2h6g h GLU 552 N 0.30 0.96 -0.25 1.57 5.08 -1.14 -0.02 114.58 121.07 2h6g h GLU 552 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2h6g h GLU 552 Cb 0.56 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2h6g h GLU 552 CO 0.03 0.65 0.13 1.49 -1.00 0.00 0.00 179.01 180.30 2h6g h GLU 553 N 0.98 0.35 -0.49 2.33 4.57 -1.18 -0.38 114.58 120.76 2h6g h GLU 553 Ca 0.26 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2h6g h GLU 553 Cb -0.09 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2h6g h GLU 553 CO -0.05 0.34 0.12 -0.22 -1.18 0.00 0.00 179.01 178.01 2h6g h LYS 554 N 0.28 0.79 -0.63 1.92 1.63 -1.14 -2.78 116.57 116.62 2h6g h LYS 554 Ca 0.09 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 2h6g h LYS 554 Cb 0.09 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2h6g h LYS 554 CO -0.01 0.77 0.21 0.82 -3.45 0.00 0.00 179.45 177.78 2h6g h ILE 555 N 0.67 1.23 -0.78 2.00 1.08 -0.82 -1.87 117.51 119.02 2h6g h ILE 555 Ca 0.15 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 2h6g h ILE 555 Cb 0.33 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 2h6g h ILE 555 CO 0.00 0.31 0.38 -0.61 -0.69 0.00 0.00 178.15 177.54 2h6g h GLN 556 N 0.93 1.13 -0.65 2.37 5.75 -0.93 0.50 115.11 124.21 2h6g h GLN 556 Ca 0.21 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2h6g h GLN 556 Cb 0.25 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2h6g h GLN 556 CO -0.01 0.88 0.41 0.93 -2.65 0.00 0.00 178.83 178.38 2h6g h GLU 557 N 1.11 0.88 0.11 1.69 5.08 -1.17 -0.61 114.58 121.66 2h6g h GLU 557 Ca 0.27 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2h6g h GLU 557 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2h6g h GLU 557 CO -0.03 0.61 -0.05 0.28 -1.00 0.00 0.00 179.01 178.82 2h6g h VAL 558 N 0.89 0.99 -0.46 3.13 2.07 -0.79 -2.63 116.25 119.44 2h6g h VAL 558 Ca 0.24 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2h6g h VAL 558 Cb -0.06 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2h6g h VAL 558 CO -0.05 0.08 -0.03 -0.26 0.02 0.00 0.00 177.57 177.33 2h6g h PHE 559 N -0.30 -0.09 0.00 1.57 0.05 -0.66 -1.08 116.94 116.44 2h6g h PHE 559 Ca -0.01 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2h6g h PHE 559 Cb 0.25 0.11 -0.00 0.00 2.00 0.00 0.00 35.95 38.30 2h6g h PHE 559 CO -0.02 -0.13 -0.03 0.77 -0.18 0.00 0.00 178.31 178.72 2h6g h SER 560 N 0.08 0.00 0.70 2.17 0.02 -1.03 -1.90 113.55 113.59 2h6g h SER 560 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2h6g h SER 560 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2h6g h SER 560 CO -0.41 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 173.78 2h6g n SER 561 N -3.84 0.27 -1.00 3.07 3.41 -0.41 -2.24 113.62 112.88 2h6g n SER 561 Ca -0.03 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2h6g n SER 561 Cb 0.12 -0.62 0.17 0.00 -0.26 0.00 0.00 64.21 63.62 2h6g n SER 561 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2h6g n TYR 562 N -1.79 0.34 -4.95 7.33 4.02 -0.71 -4.92 117.16 116.47 2h6g n TYR 562 Ca 0.04 -0.19 -0.32 0.00 -0.01 0.00 0.00 57.90 57.41 2h6g n TYR 562 Cb 0.23 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.40 2h6g n TYR 562 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2h6g s LYS 563 N -1.48 2.95 -0.53 -0.72 2.20 -0.95 -4.42 119.74 116.79 2h6g s LYS 563 Ca 0.33 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 2h6g s LYS 563 Cb 0.20 -2.43 0.24 0.00 -1.51 0.00 0.00 37.83 34.32 2h6g s LYS 563 CO 0.28 0.35 0.61 1.19 -0.36 0.00 0.00 175.35 177.43 2h6g n PHE 564 N 3.09 1.71 0.00 4.03 3.01 -0.30 -4.98 117.46 124.02 2h6g n PHE 564 Ca -0.18 -3.87 0.00 0.00 1.01 0.00 0.00 57.45 54.41 2h6g n PHE 564 Cb 0.52 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2h6g n PHE 564 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2h6g n ASN 565 N 1.28 0.00 -0.01 4.37 3.02 -1.26 -1.21 115.26 121.46 2h6g n ASN 565 Ca 0.26 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.96 2h6g n ASN 565 Cb 0.46 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.47 2h6g n ASN 565 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2h6g n HIS 566 N 14.00 0.00 -3.35 3.10 -0.00 -1.26 -4.68 115.22 123.03 2h6g n HIS 566 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 2h6g n HIS 566 Cb 0.00 -0.16 -0.09 0.00 -0.12 0.00 0.00 29.99 29.63 2h6g n HIS 566 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2h6g s LEU 567 N -2.31 4.07 -0.46 0.27 2.96 -0.35 -5.01 118.68 117.85 2h6g s LEU 567 Ca 0.37 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2h6g s LEU 567 Cb 0.21 -2.48 0.14 0.00 0.50 0.00 0.00 46.19 44.56 2h6g s LEU 567 CO 0.42 -0.23 0.28 -0.69 -1.32 0.00 0.00 176.35 174.82 2h6g s VAL 568 N 2.14 1.34 0.47 1.68 1.01 -1.26 -1.15 120.40 124.63 2h6g s VAL 568 Ca 0.16 -2.71 -0.23 0.00 0.00 0.00 0.00 61.98 59.21 2h6g s VAL 568 Cb -0.16 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2h6g s VAL 568 CO 0.10 -0.96 0.99 -2.65 0.00 0.00 0.00 175.10 172.58 2h6g n PRO 569 N 3.29 1.24 -1.81 2.72 -0.02 -1.26 -0.78 135.00 138.39 2h6g n PRO 569 Ca 0.13 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 2h6g n PRO 569 Cb 0.37 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2h6g n PRO 569 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2h6g s ARG 570 N -2.20 3.78 0.42 -0.52 0.52 -1.26 -4.71 118.95 114.98 2h6g s ARG 570 Ca 0.66 2.44 -0.24 0.00 -0.52 0.00 0.00 55.73 58.07 2h6g s ARG 570 Cb -0.51 -2.72 -0.08 0.00 0.52 0.00 0.00 34.95 32.15 2h6g s ARG 570 CO 0.55 -0.75 1.09 -0.51 0.02 0.00 0.00 175.30 175.69 2h6g s LEU 571 N -2.59 4.10 -0.09 2.53 1.43 -1.26 -4.74 118.68 118.06 2h6g s LEU 571 Ca 0.59 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 2h6g s LEU 571 Cb -0.44 -4.20 0.01 0.00 0.03 0.00 0.00 46.19 41.59 2h6g s LEU 571 CO 0.57 -0.62 -0.14 -0.69 0.23 0.00 0.00 176.35 175.71 2h6g s VAL 572 N -1.62 1.32 -0.20 -1.59 1.01 -1.26 -2.13 120.40 115.92 2h6g s VAL 572 Ca 0.60 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2h6g s VAL 572 Cb -0.24 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2h6g s VAL 572 CO 0.30 0.40 0.84 -0.22 0.00 0.00 0.00 175.10 176.42 2h6g s LEU 573 N 0.89 4.14 -1.49 3.92 2.96 -1.26 -4.95 118.68 122.89 2h6g s LEU 573 Ca -0.10 1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 54.82 2h6g s LEU 573 Cb -0.15 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 2h6g s LEU 573 CO 0.01 -0.45 2.56 0.00 -1.32 0.00 0.00 176.35 177.14 2h6g n GLN 574 N 5.56 3.17 -0.21 1.98 1.13 -1.26 -4.78 117.38 122.98 2h6g n GLN 574 Ca 0.05 -2.33 0.01 0.00 -1.94 0.00 0.00 57.00 52.78 2h6g n GLN 574 Cb 0.48 -3.01 0.09 0.00 0.11 0.00 0.00 30.24 27.91 2h6g n GLN 574 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2h6g h ARG 575 N 5.62 0.06 -0.81 -1.09 2.43 -1.96 -1.63 114.38 117.01 2h6g h ARG 575 Ca 0.71 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.86 2h6g h ARG 575 Cb 0.45 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2h6g h ARG 575 CO 1.83 0.04 0.46 0.93 -1.51 0.00 0.00 179.97 181.72 2h6g h GLU 576 N 0.07 1.11 -0.47 0.20 4.39 -1.99 0.24 114.58 118.12 2h6g h GLU 576 Ca 0.32 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 2h6g h GLU 576 Cb 0.52 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2h6g h GLU 576 CO -0.58 0.81 0.09 0.87 -1.16 0.00 0.00 179.01 179.03 2h6g h LYS 577 N 1.11 0.77 -0.62 2.33 1.57 -1.78 -1.95 116.57 118.00 2h6g h LYS 577 Ca 0.29 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2h6g h LYS 577 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2h6g h LYS 577 CO -0.05 0.77 0.19 0.45 -0.57 0.00 0.00 179.45 180.24 2h6g h HIS 578 N 0.64 1.01 -0.13 -1.35 3.86 -0.87 -2.61 115.15 115.69 2h6g h HIS 578 Ca 0.15 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2h6g h HIS 578 Cb 0.36 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 2h6g h HIS 578 CO 0.02 0.83 0.02 0.35 0.86 0.00 0.00 177.93 180.01 2h6g h PHE 579 N 0.89 0.03 -0.76 2.45 3.57 -0.33 -1.24 116.94 121.56 2h6g h PHE 579 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2h6g h PHE 579 Cb 0.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2h6g h PHE 579 CO 0.02 0.01 0.39 0.45 -2.23 0.00 0.00 178.31 176.96 2h6g h HIS 580 N 0.07 1.05 -0.32 0.41 3.86 -1.27 0.22 115.15 119.18 2h6g h HIS 580 Ca 0.06 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2h6g h HIS 580 Cb 0.06 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 2h6g h HIS 580 CO -0.13 0.74 0.09 -0.92 0.86 0.00 0.00 177.93 178.58 2h6g h TYR 581 N 1.06 0.52 -0.36 2.45 3.20 -1.22 -2.37 116.97 120.25 2h6g h TYR 581 Ca 0.27 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2h6g h TYR 581 Cb 0.06 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2h6g h TYR 581 CO 0.01 0.53 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.89 2h6g h LEU 582 N 0.35 0.71 -0.92 2.82 3.38 -0.84 -2.00 115.31 118.81 2h6g h LEU 582 Ca 0.10 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.74 2h6g h LEU 582 Cb 0.26 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2h6g h LEU 582 CO -0.00 0.92 0.60 0.50 0.09 0.00 0.00 178.44 180.54 2h6g h LYS 583 N 0.49 1.12 -0.18 1.13 3.64 -0.53 -1.25 116.57 120.99 2h6g h LYS 583 Ca 0.09 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2h6g h LYS 583 Cb 0.61 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2h6g h LYS 583 CO 0.04 0.74 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.74 2h6g h ARG 584 N 1.15 0.41 -0.36 1.90 9.65 -1.36 -3.24 114.38 122.53 2h6g h ARG 584 Ca 0.37 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 2h6g h ARG 584 Cb 0.00 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2h6g h ARG 584 CO -0.12 0.74 0.15 0.78 2.80 0.00 0.00 179.97 184.31 2h6g h GLY 585 N 0.08 0.54 2.00 2.80 0.00 -0.93 -1.36 103.07 106.19 2h6g h GLY 585 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2h6g h GLY 585 CO 0.03 0.23 -0.02 -2.00 0.00 0.00 0.00 176.54 174.79 2h6g h LEU 586 N 0.50 0.00 0.00 3.11 5.85 -1.26 -3.21 115.31 120.30 2h6g h LEU 586 Ca 0.13 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.42 2h6g h LEU 586 Cb 0.10 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2h6g h LEU 586 CO -0.01 0.02 -2.42 0.54 -0.34 0.00 0.00 178.44 176.22 2h6g n ARG 587 N -3.43 0.55 -4.01 1.25 5.12 -0.84 -5.05 116.66 110.24 2h6g n ARG 587 Ca -0.03 0.23 -0.11 0.00 -1.93 0.00 0.00 57.85 56.01 2h6g n ARG 587 Cb 0.12 -1.42 -0.12 0.00 -1.16 0.00 0.00 32.46 29.89 2h6g n ARG 587 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2h6g s GLN 588 N -2.47 0.36 0.03 5.56 0.74 -0.57 -5.15 119.66 118.15 2h6g s GLN 588 Ca -0.35 -0.59 0.03 0.00 0.05 0.00 0.00 55.36 54.49 2h6g s GLN 588 Cb 0.13 -0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 2h6g s GLN 588 CO 0.46 -0.01 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.60 2h6g s LEU 589 N -1.32 2.15 0.89 3.68 1.43 -1.26 -4.03 118.68 120.22 2h6g s LEU 589 Ca -0.12 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2h6g s LEU 589 Cb -0.09 -0.31 0.13 0.00 0.03 0.00 0.00 46.19 45.94 2h6g s LEU 589 CO -0.00 -0.05 1.13 0.42 0.23 0.00 0.00 176.35 178.07 2h6g s THR 590 N -0.82 2.23 -1.74 5.49 -4.23 -1.26 -4.88 115.64 110.43 2h6g s THR 590 Ca -0.03 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 2h6g s THR 590 Cb -0.07 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.18 2h6g s THR 590 CO 0.00 -0.10 1.08 -0.90 -0.54 0.00 0.00 174.62 174.16 2h6g n ASP 591 N -3.72 0.00 0.21 3.99 5.68 -1.26 -1.41 116.55 120.04 2h6g n ASP 591 Ca 0.07 -0.09 0.15 0.00 -0.50 0.00 0.00 54.79 54.42 2h6g n ASP 591 Cb 0.58 -0.13 0.66 0.00 -1.14 0.00 0.00 41.12 41.09 2h6g n ASP 591 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h6g h ALA 592 N 2.51 1.00 -0.64 2.12 0.00 -2.05 -1.94 119.26 120.26 2h6g h ALA 592 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h6g h ALA 592 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2h6g h ALA 592 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2h6g n TYR 593 N -2.65 1.20 0.27 0.00 4.02 -0.50 -4.31 117.16 115.19 2h6g n TYR 593 Ca 0.01 -0.52 0.09 0.00 -0.01 0.00 0.00 57.90 57.47 2h6g n TYR 593 Cb 0.22 -0.14 0.68 0.00 -0.02 0.00 0.00 39.34 40.08 2h6g n TYR 593 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2h6g h GLU 594 N 3.89 0.00 0.00 -0.72 5.08 -1.55 0.28 114.58 121.57 2h6g h GLU 594 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2h6g h GLU 594 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2h6g h GLU 594 CO 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 2h6g n LEU 596 N -1.45 2.77 0.13 0.00 4.77 0.09 -4.69 117.00 118.61 2h6g n LEU 596 Ca 0.03 -3.48 0.11 0.00 -0.03 0.00 0.00 56.01 52.64 2h6g n LEU 596 Cb 0.12 -0.50 0.49 0.00 -2.33 0.00 0.00 43.42 41.21 2h6g n LEU 596 CO 0.10 1.04 0.83 -0.67 -1.33 0.00 0.00 177.39 177.36 2h6g n ASP 597 N -1.22 0.58 -1.23 -1.43 2.03 -0.87 -1.29 116.55 113.12 2h6g n ASP 597 Ca 0.19 0.68 0.03 0.00 0.52 0.00 0.00 54.79 56.21 2h6g n ASP 597 Cb 0.71 -0.79 0.27 0.00 -0.72 0.00 0.00 41.12 40.60 2h6g n ASP 597 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h6g n ALA 598 N -1.75 3.61 -2.59 -1.67 0.00 -1.26 -4.38 120.51 112.46 2h6g n ALA 598 Ca 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.01 2h6g n ALA 598 Cb 0.16 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 18.79 2h6g n ALA 598 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h6g n SER 599 N -0.47 0.64 -0.13 0.00 7.64 -0.41 -4.10 113.62 116.78 2h6g n SER 599 Ca 0.28 -2.04 -0.11 0.00 1.01 0.00 0.00 58.87 58.01 2h6g n SER 599 Cb 1.04 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 64.09 2h6g n SER 599 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2h6g h ARG 600 N 1.49 0.94 0.00 1.43 3.08 -1.27 -1.33 114.38 118.73 2h6g h ARG 600 Ca -0.27 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.31 2h6g h ARG 600 Cb 1.52 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 2h6g h ARG 600 CO 0.04 1.09 -0.24 -1.35 -1.07 0.00 0.00 179.97 178.44 2h6g h PRO 601 N 0.80 0.00 -0.54 0.04 0.11 -1.83 -0.65 132.00 129.93 2h6g h PRO 601 Ca 0.09 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 2h6g h PRO 601 Cb 0.84 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2h6g h PRO 601 CO 0.07 0.24 -0.01 1.15 -0.21 0.00 0.00 178.00 179.24 2h6g h THR 602 N 0.00 1.26 -0.73 -1.15 2.02 -1.73 -1.16 112.91 111.43 2h6g h THR 602 Ca -0.00 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 2h6g h THR 602 Cb 0.43 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 2h6g h THR 602 CO 0.03 0.40 0.22 -0.07 0.37 0.00 0.00 175.52 176.47 2h6g h LEU 603 N 0.84 1.07 -0.40 2.58 3.38 -0.45 -0.67 115.31 121.65 2h6g h LEU 603 Ca 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2h6g h LEU 603 Cb 0.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2h6g h LEU 603 CO 0.03 1.00 0.22 0.00 0.09 0.00 0.00 178.44 179.78 2h6g h TYR 605 N 0.45 0.13 -0.60 0.00 3.20 -0.86 0.50 116.97 119.79 2h6g h TYR 605 Ca 0.16 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.10 2h6g h TYR 605 Cb 0.04 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2h6g h TYR 605 CO -0.08 0.24 0.26 -1.49 -1.64 0.00 0.00 178.16 175.45 2h6g h TRP 606 N -0.02 0.47 -0.09 -3.82 6.55 -0.88 0.86 115.95 119.02 2h6g h TRP 606 Ca 0.03 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.84 2h6g h TRP 606 Cb 0.17 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 2h6g h TRP 606 CO -0.02 0.17 -0.14 0.82 -1.05 0.00 0.00 178.44 178.22 2h6g h ILE 607 N 0.48 1.39 -0.66 1.49 2.04 -1.12 -2.37 117.51 118.75 2h6g h ILE 607 Ca 0.29 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2h6g h ILE 607 Cb 0.30 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2h6g h ILE 607 CO -0.25 0.39 0.27 -0.07 0.00 0.00 0.00 178.15 178.49 2h6g h LEU 608 N -0.18 0.91 -1.08 1.44 3.38 -0.70 -1.44 115.31 117.64 2h6g h LEU 608 Ca 0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2h6g h LEU 608 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2h6g h LEU 608 CO 0.03 0.83 -0.28 -0.74 0.09 0.00 0.00 178.44 178.37 2h6g h HIS 609 N 0.94 0.34 -0.28 1.13 2.76 -0.89 0.11 115.15 119.26 2h6g h HIS 609 Ca 0.22 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2h6g h HIS 609 Cb 0.20 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2h6g h HIS 609 CO 0.01 0.56 -0.00 0.77 -1.30 0.00 0.00 177.93 177.97 2h6g h SER 610 N 0.27 0.50 -0.68 3.26 0.02 -1.05 0.04 113.55 115.90 2h6g h SER 610 Ca 0.04 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2h6g h SER 610 Cb 0.64 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2h6g h SER 610 CO 0.05 0.69 0.19 -0.07 -1.14 0.00 0.00 176.83 176.54 2h6g h LEU 611 N 0.29 1.03 -0.38 5.07 3.38 -0.97 -1.56 115.31 122.17 2h6g h LEU 611 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2h6g h LEU 611 Cb 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2h6g h LEU 611 CO 0.02 0.97 0.23 -0.08 0.09 0.00 0.00 178.44 179.67 2h6g h GLU 612 N 1.04 0.51 -0.78 1.13 4.81 -0.53 -0.31 114.58 120.45 2h6g h GLU 612 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2h6g h GLU 612 Cb 0.33 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2h6g h GLU 612 CO -0.00 0.37 0.44 -0.07 -0.73 0.00 0.00 179.01 179.01 2h6g h LEU 613 N 0.50 0.95 0.00 1.64 3.38 -0.65 -1.22 115.31 119.92 2h6g h LEU 613 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2h6g h LEU 613 Cb -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2h6g h LEU 613 CO -0.03 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.44 2h6g n LEU 614 N -4.36 0.00 -3.75 1.67 4.77 -0.62 -1.24 117.00 113.48 2h6g n LEU 614 Ca 0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 2h6g n LEU 614 Cb 0.09 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2h6g n LEU 614 CO 0.38 0.00 0.17 -0.67 -1.33 0.00 0.00 177.39 175.94 2h6g n ASP 615 N -0.90 -5.37 -4.52 -1.43 2.03 -0.46 -4.96 116.55 100.94 2h6g n ASP 615 Ca 0.19 -0.67 -0.40 0.00 0.52 0.00 0.00 54.79 54.44 2h6g n ASP 615 Cb 0.09 -4.46 -0.11 0.00 -0.72 0.00 0.00 41.12 35.92 2h6g n ASP 615 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2h6g s GLU 616 N -6.43 3.48 0.65 -0.67 0.41 -0.23 -5.04 118.70 110.89 2h6g s GLU 616 Ca 0.59 -0.65 -0.17 0.00 -0.41 0.00 0.00 54.97 54.33 2h6g s GLU 616 Cb -0.28 -3.78 -0.02 0.00 -1.78 0.00 0.00 34.13 28.28 2h6g s GLU 616 CO 0.78 -0.44 1.11 -0.35 -0.49 0.00 0.00 175.26 175.87 2h6g n PRO 617 N 5.09 0.88 -3.65 0.39 -0.04 -1.26 -4.52 135.00 131.88 2h6g n PRO 617 Ca -0.13 0.35 -0.39 0.00 -0.04 0.00 0.00 63.50 63.29 2h6g n PRO 617 Cb 0.50 -2.34 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 2h6g n PRO 617 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2h6g s ILE 618 N -1.54 4.47 0.37 0.52 -1.09 -1.26 -5.07 121.20 117.61 2h6g s ILE 618 Ca 0.79 -0.69 -0.26 0.00 -2.23 0.00 0.00 60.65 58.25 2h6g s ILE 618 Cb -0.38 -3.39 -0.12 0.00 -1.58 0.00 0.00 42.46 36.99 2h6g s ILE 618 CO 0.45 -0.08 1.15 -2.65 -1.23 0.00 0.00 174.94 172.58 2h6g n PRO 619 N 4.97 1.72 -0.33 2.79 -0.02 -1.26 -4.74 135.00 138.12 2h6g n PRO 619 Ca -0.13 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 2h6g n PRO 619 Cb 0.47 -2.17 0.38 0.00 -0.02 0.00 0.00 33.50 32.16 2h6g n PRO 619 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2h6g h GLN 620 N 2.05 0.64 -0.40 -0.52 4.20 -1.99 -0.89 115.11 118.19 2h6g h GLN 620 Ca -0.45 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.18 2h6g h GLN 620 Cb 1.31 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2h6g h GLN 620 CO 0.60 0.42 0.07 0.82 -0.67 0.00 0.00 178.83 180.07 2h6g h ILE 621 N 0.65 1.24 -0.57 2.54 1.08 -2.00 -1.55 117.51 118.90 2h6g h ILE 621 Ca 0.56 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 64.09 2h6g h ILE 621 Cb 1.03 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2h6g h ILE 621 CO -0.34 0.30 0.04 0.58 -0.69 0.00 0.00 178.15 178.03 2h6g h VAL 622 N 0.52 1.26 -0.44 1.67 2.07 -1.61 -1.62 116.25 118.09 2h6g h VAL 622 Ca 0.12 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2h6g h VAL 622 Cb 0.36 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2h6g h VAL 622 CO 0.01 0.38 0.23 0.00 0.02 0.00 0.00 177.57 178.21 2h6g h ALA 623 N 1.14 0.57 -0.59 1.67 0.00 -1.01 -0.41 119.26 120.64 2h6g h ALA 623 Ca 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2h6g h ALA 623 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2h6g h ALA 623 CO 0.02 0.11 0.04 1.15 0.00 0.00 0.00 179.25 180.57 2h6g h THR 624 N 0.57 1.26 -0.65 0.00 2.02 -1.09 -1.33 112.91 113.68 2h6g h THR 624 Ca 0.15 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 2h6g h THR 624 Cb 0.08 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2h6g h THR 624 CO -0.02 0.39 0.16 0.44 0.37 0.00 0.00 175.52 176.85 2h6g h ASP 625 N 0.92 0.99 -0.39 4.18 3.45 -0.96 -0.98 116.42 123.63 2h6g h ASP 625 Ca 0.18 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 2h6g h ASP 625 Cb 0.47 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 2h6g h ASP 625 CO 0.02 0.97 0.18 0.58 -1.57 0.00 0.00 179.24 179.42 2h6g h VAL 626 N 0.97 1.18 -0.49 -1.35 2.07 -0.81 -1.07 116.25 116.74 2h6g h VAL 626 Ca 0.20 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2h6g h VAL 626 Cb 0.37 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2h6g h VAL 626 CO 0.00 0.19 0.24 0.00 0.02 0.00 0.00 177.57 178.02 2h6g h GLN 628 N 0.47 1.07 -0.30 0.00 4.20 -0.93 -1.61 115.11 118.02 2h6g h GLN 628 Ca 0.22 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2h6g h GLN 628 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2h6g h GLN 628 CO -0.16 0.93 0.07 0.35 -0.67 0.00 0.00 178.83 179.34 2h6g h PHE 629 N 1.01 0.50 0.00 2.96 3.57 -0.74 -2.18 116.94 122.07 2h6g h PHE 629 Ca 0.22 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2h6g h PHE 629 Cb 0.30 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2h6g h PHE 629 CO 0.02 0.55 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.34 2h6g h LEU 630 N 0.32 0.00 -0.70 0.59 3.38 -0.98 -1.50 115.31 116.42 2h6g h LEU 630 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2h6g h LEU 630 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2h6g h LEU 630 CO 0.00 0.24 0.06 -0.08 0.09 0.00 0.00 178.44 178.75 2h6g h GLU 631 N 0.00 1.07 0.00 1.13 4.81 -0.97 -1.93 114.58 118.69 2h6g h GLU 631 Ca -0.00 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2h6g h GLU 631 Cb 0.44 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2h6g h GLU 631 CO 0.03 1.00 -0.14 -0.07 -0.73 0.00 0.00 179.01 179.11 2h6g h LEU 632 N 0.99 0.00 0.00 1.64 3.38 -0.66 -2.37 115.31 118.29 2h6g h LEU 632 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2h6g h LEU 632 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2h6g h LEU 632 CO 0.02 0.14 -0.47 0.00 0.09 0.00 0.00 178.44 178.22 2h6g s GLN 634 N -3.13 4.48 0.22 0.00 0.74 -0.82 -1.01 119.66 120.14 2h6g s GLN 634 Ca 0.08 1.89 -0.14 0.00 0.05 0.00 0.00 55.36 57.24 2h6g s GLN 634 Cb 0.14 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.93 2h6g s GLN 634 CO 0.69 -0.12 0.62 0.45 -0.55 0.00 0.00 175.29 176.38 2h6g s SER 635 N 0.20 6.79 0.56 6.67 0.15 -0.02 -4.92 113.70 123.13 2h6g s SER 635 Ca 0.54 1.13 0.32 0.00 0.70 0.00 0.00 55.95 58.64 2h6g s SER 635 Cb -0.33 -2.31 1.68 0.00 -1.71 0.00 0.00 66.02 63.35 2h6g s SER 635 CO 0.36 -0.03 2.14 1.55 1.20 0.00 0.00 173.24 178.47 2h6g h PRO 636 N 2.95 0.00 -0.01 5.44 0.13 -1.95 -0.76 132.00 137.80 2h6g h PRO 636 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2h6g h PRO 636 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2h6g h PRO 636 CO 0.67 0.07 -0.01 -0.85 -0.23 0.00 0.00 178.00 177.65 2h6g n GLU 637 N -3.48 1.39 0.00 0.86 0.28 -1.26 -4.99 120.64 113.44 2h6g n GLU 637 Ca -0.02 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 2h6g n GLU 637 Cb 0.20 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2h6g n GLU 637 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2h6g n GLY 638 N 1.12 2.44 0.00 -1.84 0.00 -0.29 -4.13 105.19 102.48 2h6g n GLY 638 Ca 0.21 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2h6g n GLY 638 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6g n GLY 639 N 1.39 -1.42 3.32 -0.02 0.00 -1.26 -4.46 105.19 102.73 2h6g n GLY 639 Ca 0.00 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2h6g n GLY 639 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h6g s PHE 640 N -1.46 2.11 0.53 1.61 0.40 -1.26 -0.84 117.98 119.07 2h6g s PHE 640 Ca 0.00 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2h6g s PHE 640 Cb 0.00 -1.23 0.06 0.00 0.51 0.00 0.00 43.02 42.37 2h6g s PHE 640 CO 0.00 0.17 0.72 0.20 0.70 0.00 0.00 175.22 177.01 2h6g s GLY 641 N -1.47 1.81 0.00 4.36 0.00 -0.18 -1.27 107.32 110.57 2h6g s GLY 641 Ca 0.10 -1.99 0.15 0.00 0.00 0.00 0.00 44.72 42.98 2h6g s GLY 641 CO 0.03 -1.64 1.45 0.61 0.00 0.00 0.00 173.10 173.56 2h6g n GLY 642 N -2.11 -0.94 3.69 0.20 0.00 -1.26 -4.66 105.19 100.11 2h6g n GLY 642 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2h6g n GLY 642 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h6g s GLY 643 N -2.88 -0.35 0.17 -0.02 0.00 -1.26 -1.42 107.32 101.55 2h6g s GLY 643 Ca 0.09 0.55 -0.33 0.00 0.00 0.00 0.00 44.72 45.02 2h6g s GLY 643 CO 0.26 1.13 1.62 -1.05 0.00 0.00 0.00 173.10 175.06 2h6g n PRO 644 N -0.57 2.30 -0.42 2.90 -0.02 -1.26 -1.74 135.00 136.19 2h6g n PRO 644 Ca -0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2h6g n PRO 644 Cb 0.62 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2h6g n PRO 644 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6g n GLY 645 N 3.57 1.68 3.85 -1.23 0.00 -1.26 -5.03 105.19 106.78 2h6g n GLY 645 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2h6g n GLY 645 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h6g s GLN 646 N -0.17 3.97 0.67 1.61 -0.21 -0.71 -5.03 119.66 119.78 2h6g s GLN 646 Ca 0.00 0.72 -0.17 0.00 0.02 0.00 0.00 55.36 55.93 2h6g s GLN 646 Cb 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.68 2h6g s GLN 646 CO 0.00 0.01 1.23 0.71 -2.12 0.00 0.00 175.29 175.12 2h6g s TYR 647 N -2.22 2.16 0.58 0.91 4.12 -1.26 -4.34 117.35 117.30 2h6g s TYR 647 Ca 0.55 1.55 -0.18 0.00 0.02 0.00 0.00 57.07 59.01 2h6g s TYR 647 Cb -0.10 -3.53 -0.04 0.00 -1.52 0.00 0.00 41.96 36.77 2h6g s TYR 647 CO 0.23 -2.56 1.12 -1.25 0.02 0.00 0.00 175.55 173.11 2h6g s PRO 648 N -3.62 3.20 -0.09 -1.71 0.04 -1.26 -4.07 135.00 127.49 2h6g s PRO 648 Ca 0.77 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 2h6g s PRO 648 Cb -0.31 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.26 2h6g s PRO 648 CO 0.40 -0.96 0.28 -1.58 0.04 0.00 0.00 177.00 175.18 2h6g s HIS 649 N -1.93 -0.27 0.50 0.56 2.46 -0.40 -4.61 115.29 111.61 2h6g s HIS 649 Ca 0.71 0.63 0.18 0.00 0.47 0.00 0.00 55.06 57.05 2h6g s HIS 649 Cb -0.23 0.10 1.28 0.00 -0.13 0.00 0.00 32.58 33.59 2h6g s HIS 649 CO 0.31 -0.20 2.11 -0.07 -2.47 0.00 0.00 174.74 174.42 2h6g h LEU 650 N 5.30 0.00 0.52 8.88 3.38 -1.09 -1.44 115.31 130.84 2h6g h LEU 650 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2h6g h LEU 650 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2h6g h LEU 650 CO 0.34 0.06 -0.25 0.00 0.09 0.00 0.00 178.44 178.68 2h6g h ALA 651 N 1.94 -0.69 0.00 1.53 0.00 -1.92 -0.09 119.26 120.03 2h6g h ALA 651 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2h6g h ALA 651 Cb 0.11 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2h6g h ALA 651 CO 0.01 -0.72 -0.13 -1.00 0.00 0.00 0.00 179.25 177.41 2h6g h PRO 652 N -1.03 0.00 -0.16 0.00 0.13 -1.80 -1.68 132.00 127.46 2h6g h PRO 652 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2h6g h PRO 652 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 2h6g h PRO 652 CO 0.12 0.13 -0.06 1.15 -0.23 0.00 0.00 178.00 179.10 2h6g h THR 653 N 0.00 1.31 -0.39 1.56 2.02 -1.15 0.25 112.91 116.51 2h6g h THR 653 Ca -0.00 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 66.12 2h6g h THR 653 Cb 0.40 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2h6g h THR 653 CO 0.02 0.32 0.22 0.22 0.37 0.00 0.00 175.52 176.66 2h6g h TYR 654 N -0.00 0.40 -0.47 3.16 3.20 -0.64 -1.85 116.97 120.78 2h6g h TYR 654 Ca 0.04 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2h6g h TYR 654 Cb 0.52 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2h6g h TYR 654 CO 0.06 0.23 0.13 0.00 -1.64 0.00 0.00 178.16 176.94 2h6g h ALA 655 N 1.18 0.62 -0.36 1.82 0.00 -1.19 -1.83 119.26 119.49 2h6g h ALA 655 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2h6g h ALA 655 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2h6g h ALA 655 CO -0.08 0.29 0.22 0.00 0.00 0.00 0.00 179.25 179.67 2h6g h ALA 656 N 0.99 0.46 -0.28 0.00 0.00 -0.31 0.31 119.26 120.43 2h6g h ALA 656 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2h6g h ALA 656 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2h6g h ALA 656 CO -0.00 -0.04 0.15 0.28 0.00 0.00 0.00 179.25 179.64 2h6g h VAL 657 N 0.47 1.13 -0.60 0.00 2.07 -1.26 -0.95 116.25 117.10 2h6g h VAL 657 Ca 0.13 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2h6g h VAL 657 Cb 0.01 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2h6g h VAL 657 CO -0.02 0.13 0.40 0.78 0.02 0.00 0.00 177.57 178.87 2h6g h ASN 658 N 0.33 0.70 -0.48 0.57 4.21 -1.09 -0.99 115.58 118.82 2h6g h ASN 658 Ca 0.10 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2h6g h ASN 658 Cb 0.07 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 2h6g h ASN 658 CO -0.02 0.51 0.31 0.00 -1.29 0.00 0.00 177.43 176.94 2h6g h ALA 659 N 1.22 0.61 -0.50 -0.83 0.00 -0.67 -0.05 119.26 119.04 2h6g h ALA 659 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2h6g h ALA 659 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2h6g h ALA 659 CO -0.05 0.07 0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2h6g h LEU 660 N 0.65 0.67 -0.73 0.00 3.38 -0.87 -2.06 115.31 116.36 2h6g h LEU 660 Ca 0.18 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2h6g h LEU 660 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2h6g h LEU 660 CO -0.04 0.64 -0.60 0.00 0.09 0.00 0.00 178.44 178.53 2h6g h ILE 662 N 0.09 1.27 -0.55 0.00 2.04 -0.44 -2.26 117.51 117.65 2h6g h ILE 662 Ca -0.01 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 2h6g h ILE 662 Cb 1.08 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2h6g h ILE 662 CO 0.09 0.42 0.12 0.40 0.00 0.00 0.00 178.15 179.18 2h6g h ILE 663 N 1.00 1.25 -1.03 -0.67 2.04 -1.19 -3.47 117.51 115.44 2h6g h ILE 663 Ca 0.18 -0.89 -0.38 0.00 1.00 0.00 0.00 64.86 64.77 2h6g h ILE 663 Cb 0.54 0.78 -0.14 0.00 -0.74 0.00 0.00 36.82 37.25 2h6g h ILE 663 CO 0.03 0.33 -0.35 0.61 0.00 0.00 0.00 178.15 178.76 2h6g n GLY 664 N -0.61 1.60 3.96 5.37 0.00 -0.39 -5.01 105.19 110.11 2h6g n GLY 664 Ca 0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2h6g n GLY 664 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h6g s THR 665 N -2.70 5.20 0.48 2.61 -4.23 -1.26 -4.96 115.64 110.77 2h6g s THR 665 Ca 0.00 -0.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.87 2h6g s THR 665 Cb 0.00 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.20 2h6g s THR 665 CO 0.00 -0.42 2.06 -0.33 -0.54 0.00 0.00 174.62 175.39 2h6g h GLU 666 N 1.01 0.01 -0.32 3.99 5.08 -1.98 -0.39 114.58 121.98 2h6g h GLU 666 Ca -0.51 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2h6g h GLU 666 Cb 1.23 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2h6g h GLU 666 CO 0.61 0.11 0.18 1.49 -1.00 0.00 0.00 179.01 180.40 2h6g h GLU 667 N 0.01 0.45 -0.10 2.33 4.81 -1.99 -1.35 114.58 118.73 2h6g h GLU 667 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2h6g h GLU 667 Cb 0.19 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2h6g h GLU 667 CO 0.01 0.38 0.01 0.00 -0.73 0.00 0.00 179.01 178.68 2h6g h ALA 668 N 1.05 0.13 -0.37 2.92 0.00 -1.60 -3.12 119.26 118.26 2h6g h ALA 668 Ca 0.11 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2h6g h ALA 668 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2h6g h ALA 668 CO -0.02 -0.19 0.08 1.88 0.00 0.00 0.00 179.25 181.00 2h6g h TYR 669 N -0.09 0.13 0.00 0.00 0.99 -1.01 -2.60 116.97 114.39 2h6g h TYR 669 Ca 0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2h6g h TYR 669 Cb 0.33 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.06 2h6g h TYR 669 CO 0.03 0.02 0.00 -0.25 -0.00 0.00 0.00 178.16 177.96 2h6g n ASP 670 N -5.09 0.00 -0.05 3.88 8.00 -0.52 -2.78 116.55 119.99 2h6g n ASP 670 Ca 0.02 0.45 -0.03 0.00 0.71 0.00 0.00 54.79 55.95 2h6g n ASP 670 Cb 0.17 -0.48 0.21 0.00 -0.02 0.00 0.00 41.12 41.00 2h6g n ASP 670 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2h6g h ILE 671 N 0.00 1.23 -2.64 0.53 2.04 -1.40 -3.43 117.51 113.84 2h6g h ILE 671 Ca 0.00 -0.98 -0.54 0.00 1.00 0.00 0.00 64.86 64.34 2h6g h ILE 671 Cb 0.25 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2h6g h ILE 671 CO 0.00 0.33 1.05 -0.63 0.00 0.00 0.00 178.15 178.90 2h6g s ILE 672 N -4.89 3.30 -0.80 -0.67 1.01 -1.12 -4.93 121.20 113.11 2h6g s ILE 672 Ca -0.08 0.57 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 2h6g s ILE 672 Cb 0.15 -3.37 0.08 0.00 0.01 0.00 0.00 42.46 39.33 2h6g s ILE 672 CO 0.79 -0.03 1.11 0.21 0.00 0.00 0.00 174.94 177.03 2h6g s ASN 673 N 2.94 6.35 0.20 3.58 3.84 -1.26 -4.87 114.94 125.71 2h6g s ASN 673 Ca 0.74 -1.30 -0.08 0.00 0.21 0.00 0.00 52.86 52.43 2h6g s ASN 673 Cb -0.37 -2.45 0.11 0.00 -0.55 0.00 0.00 41.25 37.99 2h6g s ASN 673 CO 0.32 -1.39 1.69 0.03 -2.79 0.00 0.00 177.10 174.95 2h6g h ARG 674 N 9.44 1.09 -0.35 0.43 3.08 -1.94 -1.44 114.38 124.69 2h6g h ARG 674 Ca -0.09 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.66 2h6g h ARG 674 Cb 1.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2h6g h ARG 674 CO 1.21 1.01 0.23 0.93 -1.07 0.00 0.00 179.97 182.28 2h6g h GLU 675 N 1.01 0.45 0.00 0.04 3.07 -1.96 -2.13 114.58 115.07 2h6g h GLU 675 Ca 0.20 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 2h6g h GLU 675 Cb 0.47 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2h6g h GLU 675 CO 0.02 0.30 -0.69 0.87 -1.40 0.00 0.00 179.01 178.11 2h6g h LYS 676 N 0.47 0.00 -0.34 2.33 1.79 -1.89 -2.86 116.57 116.07 2h6g h LYS 676 Ca 0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2h6g h LYS 676 Cb -0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2h6g h LYS 676 CO -0.03 0.69 0.16 1.25 -1.08 0.00 0.00 179.45 180.43 2h6g h LEU 677 N 0.00 0.45 -0.73 2.94 5.85 -0.95 0.15 115.31 123.02 2h6g h LEU 677 Ca -0.01 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2h6g h LEU 677 Cb 1.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2h6g h LEU 677 CO 0.09 0.45 0.25 0.25 -0.34 0.00 0.00 178.44 179.14 2h6g h LEU 678 N 0.41 1.05 -0.67 2.25 5.85 -1.39 -0.81 115.31 121.99 2h6g h LEU 678 Ca 0.12 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2h6g h LEU 678 Cb 0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2h6g h LEU 678 CO -0.01 0.97 0.31 1.56 -0.34 0.00 0.00 178.44 180.92 2h6g h GLN 679 N 1.07 0.98 -0.46 1.25 4.20 -1.24 -1.71 115.11 119.19 2h6g h GLN 679 Ca 0.24 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2h6g h GLN 679 Cb 0.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2h6g h GLN 679 CO -0.01 0.78 0.30 -0.92 -0.67 0.00 0.00 178.83 178.31 2h6g h TYR 680 N 0.94 0.59 -0.84 2.96 3.20 -0.19 -0.92 116.97 122.70 2h6g h TYR 680 Ca 0.23 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2h6g h TYR 680 Cb 0.14 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2h6g h TYR 680 CO 0.01 0.39 0.54 -0.07 -1.64 0.00 0.00 178.16 177.39 2h6g h LEU 681 N 0.62 0.99 -1.14 2.82 3.38 -0.84 -1.11 115.31 120.02 2h6g h LEU 681 Ca 0.17 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2h6g h LEU 681 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2h6g h LEU 681 CO -0.03 0.73 0.58 1.88 0.09 0.00 0.00 178.44 181.69 2h6g h TYR 682 N 1.15 1.10 0.00 1.13 -1.99 -0.78 -1.63 116.97 115.95 2h6g h TYR 682 Ca 0.31 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2h6g h TYR 682 Cb -0.10 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.25 2h6g h TYR 682 CO -0.01 0.69 0.00 -1.13 -0.00 0.00 0.00 178.16 177.71 2h6g n SER 683 N -4.40 0.12 -0.00 3.88 3.41 -0.40 -2.23 113.62 114.00 2h6g n SER 683 Ca 0.10 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.30 2h6g n SER 683 Cb 0.02 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.35 2h6g n SER 683 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h6g n LEU 684 N -1.64 0.45 -4.70 1.04 4.77 -0.65 -4.92 117.00 111.34 2h6g n LEU 684 Ca 0.02 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 2h6g n LEU 684 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2h6g n LEU 684 CO 0.10 0.11 1.07 -0.75 -1.33 0.00 0.00 177.39 176.59 2h6g s LYS 685 N -2.17 4.31 0.18 3.23 2.47 -0.95 -1.41 119.74 125.40 2h6g s LYS 685 Ca 0.03 1.94 0.00 0.00 -1.56 0.00 0.00 55.97 56.39 2h6g s LYS 685 Cb 0.08 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.93 2h6g s LYS 685 CO 0.46 -0.50 0.34 -0.65 0.16 0.00 0.00 175.35 175.17 2h6g s GLN 686 N 1.96 3.49 0.54 4.03 -1.52 0.41 -4.99 119.66 123.58 2h6g s GLN 686 Ca 0.63 -0.44 0.27 0.00 -1.95 0.00 0.00 55.36 53.87 2h6g s GLN 686 Cb -0.32 -2.89 1.55 0.00 -0.22 0.00 0.00 33.01 31.12 2h6g s GLN 686 CO 0.27 0.45 2.14 -1.00 -0.25 0.00 0.00 175.29 176.90 2h6g h PRO 687 N 2.11 0.00 -0.05 2.91 0.13 -1.96 -2.16 132.00 132.97 2h6g h PRO 687 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2h6g h PRO 687 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2h6g h PRO 687 CO 0.69 0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 2h6g n ASP 688 N -3.80 0.47 0.00 1.44 3.85 -1.26 -4.88 116.55 112.37 2h6g n ASP 688 Ca -0.02 -1.57 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 2h6g n ASP 688 Cb 0.18 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 2h6g n ASP 688 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2h6g n GLY 689 N 0.85 1.27 3.93 6.12 0.00 -0.81 -4.52 105.19 112.03 2h6g n GLY 689 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2h6g n GLY 689 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h6g s SER 690 N -1.74 4.39 0.05 1.61 1.04 -1.26 -3.86 113.70 113.92 2h6g s SER 690 Ca 0.00 0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.84 2h6g s SER 690 Cb 0.00 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 2h6g s SER 690 CO 0.00 -1.89 -0.15 -0.36 0.98 0.00 0.00 173.24 171.82 2h6g s PHE 691 N -3.40 1.29 0.50 5.02 0.40 -1.26 -0.44 117.98 120.08 2h6g s PHE 691 Ca 0.64 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 56.44 2h6g s PHE 691 Cb -0.09 -0.76 -0.07 0.00 0.51 0.00 0.00 43.02 42.61 2h6g s PHE 691 CO 0.47 0.05 0.94 -0.51 0.70 0.00 0.00 175.22 176.87 2h6g s LEU 692 N -1.28 3.65 0.29 -0.37 1.43 -0.50 -4.26 118.68 117.63 2h6g s LEU 692 Ca 0.02 1.47 0.15 0.00 -1.03 0.00 0.00 54.13 54.74 2h6g s LEU 692 Cb -0.08 -4.41 0.28 0.00 0.03 0.00 0.00 46.19 42.01 2h6g s LEU 692 CO 0.02 -0.56 1.54 0.24 0.23 0.00 0.00 176.35 177.81 2h6g h MET 693 N 0.93 0.00 -2.49 1.70 2.86 -1.42 -3.47 114.93 113.03 2h6g h MET 693 Ca -0.47 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.30 2h6g h MET 693 Cb 1.19 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.75 2h6g h MET 693 CO 0.62 0.54 0.42 -3.38 1.06 0.00 0.00 176.91 176.17 2h6g s HIS 694 N -3.21 -0.23 0.07 -0.22 0.00 -1.26 -0.53 115.29 109.90 2h6g s HIS 694 Ca 0.02 -0.04 -0.33 0.00 -3.00 0.00 0.00 55.06 51.70 2h6g s HIS 694 Cb 0.10 0.62 -0.12 0.00 -4.00 0.00 0.00 32.58 29.17 2h6g s HIS 694 CO 0.74 -0.82 1.76 0.28 -1.00 0.00 0.00 174.74 175.69 2h6g n VAL 695 N -0.40 0.30 -1.20 -5.38 0.31 -1.26 -0.02 118.33 110.68 2h6g n VAL 695 Ca -0.08 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 2h6g n VAL 695 Cb 0.61 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 2h6g n VAL 695 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h6g n GLY 696 N 3.99 0.88 1.71 2.92 0.00 -1.26 -5.00 105.19 108.43 2h6g n GLY 696 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2h6g n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6g n GLY 697 N -1.54 1.88 3.87 -0.02 0.00 0.97 -5.11 105.19 105.24 2h6g n GLY 697 Ca -0.07 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 2h6g n GLY 697 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h6g s GLU 698 N -3.18 3.53 -0.09 1.61 1.03 -1.26 -4.65 118.70 115.69 2h6g s GLU 698 Ca 0.27 0.77 0.05 0.00 0.03 0.00 0.00 54.97 56.08 2h6g s GLU 698 Cb -0.02 -2.07 -0.00 0.00 -0.80 0.00 0.00 34.13 31.24 2h6g s GLU 698 CO 0.17 -0.62 -0.24 0.08 -1.33 0.00 0.00 175.26 173.31 2h6g s VAL 699 N -3.17 2.06 0.15 1.83 1.01 -1.26 -1.19 120.40 119.82 2h6g s VAL 699 Ca 0.55 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2h6g s VAL 699 Cb -0.11 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.57 2h6g s VAL 699 CO 0.54 0.56 0.97 1.51 0.00 0.00 0.00 175.10 178.68 2h6g s ASP 700 N 0.22 -0.17 0.50 3.32 1.47 -1.26 -4.89 116.67 115.85 2h6g s ASP 700 Ca -0.15 -0.39 0.30 0.00 1.18 0.00 0.00 52.55 53.48 2h6g s ASP 700 Cb -0.17 0.48 1.62 0.00 -0.34 0.00 0.00 42.92 44.51 2h6g s ASP 700 CO 0.08 -0.88 1.90 1.62 0.68 0.00 0.00 175.17 178.56 2h6g h VAL 701 N 2.00 0.00 -0.95 2.11 3.04 -1.10 -2.34 116.25 119.00 2h6g h VAL 701 Ca -0.24 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.50 2h6g h VAL 701 Cb 1.23 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 31.11 2h6g h VAL 701 CO 0.25 0.00 0.62 0.03 -1.01 0.00 0.00 177.57 177.46 2h6g h ARG 702 N 0.00 1.13 -0.83 4.17 3.08 -1.91 -2.69 114.38 117.33 2h6g h ARG 702 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2h6g h ARG 702 Cb 0.19 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2h6g h ARG 702 CO 0.00 0.75 0.43 0.66 -1.07 0.00 0.00 179.97 180.74 2h6g h SER 703 N 1.16 1.06 -0.83 7.04 4.64 -1.71 -1.09 113.55 123.82 2h6g h SER 703 Ca 0.39 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2h6g h SER 703 Cb 0.07 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 2h6g h SER 703 CO -0.14 0.87 0.48 0.00 -0.87 0.00 0.00 176.83 177.16 2h6g h ALA 704 N 1.23 1.07 -0.19 5.18 0.00 -1.64 -0.15 119.26 124.74 2h6g h ALA 704 Ca 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2h6g h ALA 704 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2h6g h ALA 704 CO -0.04 0.55 -0.15 -0.92 0.00 0.00 0.00 179.25 178.69 2h6g h TYR 705 N 1.15 0.53 -0.49 0.00 3.20 -1.32 -0.77 116.97 119.27 2h6g h TYR 705 Ca 0.30 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 62.04 2h6g h TYR 705 Cb -0.00 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2h6g h TYR 705 CO 0.00 0.78 0.29 0.00 -1.64 0.00 0.00 178.16 177.59 2h6g h ALA 707 N 1.22 -0.02 -0.98 0.00 0.00 -1.01 -2.29 119.26 116.17 2h6g h ALA 707 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2h6g h ALA 707 Cb 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2h6g h ALA 707 CO -0.09 -0.41 0.63 0.00 0.00 0.00 0.00 179.25 179.39 2h6g h ALA 708 N 0.75 1.27 0.64 0.00 0.00 -0.94 -0.54 119.26 120.44 2h6g h ALA 708 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2h6g h ALA 708 Cb 0.22 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2h6g h ALA 708 CO 0.00 0.66 -0.31 1.03 0.00 0.00 0.00 179.25 180.64 2h6g h SER 709 N 1.34 -0.73 0.04 0.00 0.87 -0.67 -1.57 113.55 112.83 2h6g h SER 709 Ca 0.36 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 2h6g h SER 709 Cb -0.13 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2h6g h SER 709 CO -0.07 -0.46 -0.32 -0.37 -0.53 0.00 0.00 176.83 175.07 2h6g h VAL 710 N -0.95 1.28 -0.44 2.23 -1.51 -1.35 -2.28 116.25 113.23 2h6g h VAL 710 Ca -0.09 -1.37 -0.09 0.00 -1.23 0.00 0.00 66.70 63.92 2h6g h VAL 710 Cb 0.68 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2h6g h VAL 710 CO 0.14 0.43 -0.08 0.00 -1.23 0.00 0.00 177.57 176.83 2h6g h ALA 711 N 1.31 0.60 -0.23 5.19 0.00 -1.08 -2.16 119.26 122.90 2h6g h ALA 711 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2h6g h ALA 711 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2h6g h ALA 711 CO 0.06 0.47 -0.34 0.66 0.00 0.00 0.00 179.25 180.10 2h6g h SER 712 N 0.67 0.70 -0.48 0.00 4.64 -1.23 -1.21 113.55 116.63 2h6g h SER 712 Ca 0.11 -0.52 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2h6g h SER 712 Cb 0.61 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2h6g h SER 712 CO 0.04 1.08 0.24 -0.07 -0.87 0.00 0.00 176.83 177.25 2h6g h LEU 713 N 0.34 0.62 -1.09 5.97 3.38 -1.41 -2.94 115.31 120.17 2h6g h LEU 713 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2h6g h LEU 713 Cb 0.92 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2h6g h LEU 713 CO 0.08 0.56 0.00 0.35 0.09 0.00 0.00 178.44 179.52 2h6g n THR 714 N -4.64 0.29 -3.59 0.22 -2.24 -0.81 -4.22 114.28 99.29 2h6g n THR 714 Ca 0.02 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 2h6g n THR 714 Cb 0.10 0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2h6g n THR 714 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2h6g n ASN 715 N 0.32 -4.39 -0.17 3.42 5.15 -0.84 -4.86 115.26 113.89 2h6g n ASN 715 Ca 0.14 -0.89 0.07 0.00 -0.60 0.00 0.00 54.58 53.30 2h6g n ASN 715 Cb 0.29 -4.01 0.10 0.00 -0.53 0.00 0.00 39.78 35.63 2h6g n ASN 715 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2h6g n ILE 716 N -3.98 1.34 -2.57 -1.44 -5.35 -0.52 -4.32 119.36 102.54 2h6g n ILE 716 Ca -0.15 -1.60 -0.42 0.00 -0.27 0.00 0.00 62.75 60.31 2h6g n ILE 716 Cb 0.62 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 2h6g n ILE 716 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2h6g s ILE 717 N -2.01 4.45 0.26 7.28 1.01 -1.25 -4.90 121.20 126.04 2h6g s ILE 717 Ca 0.22 1.76 0.09 0.00 0.00 0.00 0.00 60.65 62.72 2h6g s ILE 717 Cb 0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2h6g s ILE 717 CO 0.02 0.14 0.04 0.42 0.00 0.00 0.00 174.94 175.55 2h6g s THR 718 N 1.04 3.66 0.51 2.92 -4.23 -1.26 -5.02 115.64 113.26 2h6g s THR 718 Ca 0.55 -1.81 0.18 0.00 -1.18 0.00 0.00 61.69 59.44 2h6g s THR 718 Cb -0.25 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.89 2h6g s THR 718 CO 0.29 -0.37 2.13 1.55 -0.54 0.00 0.00 174.62 177.68 2h6g h PRO 719 N 1.81 0.00 0.00 3.99 0.13 -2.02 -2.95 132.00 132.96 2h6g h PRO 719 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2h6g h PRO 719 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2h6g h PRO 719 CO 0.60 0.04 -1.25 -0.40 -0.23 0.00 0.00 178.00 176.76 2h6g n ASP 720 N -4.35 0.75 -0.24 1.44 5.75 -1.26 -4.29 116.55 114.34 2h6g n ASP 720 Ca -0.03 0.30 0.03 0.00 -0.01 0.00 0.00 54.79 55.08 2h6g n ASP 720 Cb 0.13 0.53 0.12 0.00 -1.03 0.00 0.00 41.12 40.86 2h6g n ASP 720 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2h6g h LEU 721 N 0.00 -0.48 -3.58 -2.12 5.85 -1.92 -1.68 115.31 111.38 2h6g h LEU 721 Ca -0.06 0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 2h6g h LEU 721 Cb 1.20 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 42.50 2h6g h LEU 721 CO 0.01 -0.20 0.17 0.49 -0.34 0.00 0.00 178.44 178.57 2h6g n PHE 722 N -5.40 1.90 -1.78 1.25 3.01 -1.26 -4.95 117.46 110.23 2h6g n PHE 722 Ca 0.11 -1.26 -0.42 0.00 1.01 0.00 0.00 57.45 56.89 2h6g n PHE 722 Cb 0.41 -0.59 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 2h6g n PHE 722 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2h6g s GLU 723 N -3.04 4.16 0.00 -1.08 2.12 -0.63 -1.73 118.70 118.50 2h6g s GLU 723 Ca 0.50 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.34 2h6g s GLU 723 Cb 0.42 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2h6g s GLU 723 CO 0.10 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 2h6g n GLY 724 N 4.27 2.39 0.19 -1.50 0.00 -1.26 -4.38 105.19 104.90 2h6g n GLY 724 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2h6g n GLY 724 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2h6g h THR 725 N 0.00 1.21 -0.79 2.61 2.02 -1.44 -1.94 112.91 114.58 2h6g h THR 725 Ca 0.00 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.52 2h6g h THR 725 Cb 0.00 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2h6g h THR 725 CO 0.00 0.24 0.51 0.00 0.37 0.00 0.00 175.52 176.64 2h6g h ALA 726 N 0.96 1.02 -0.61 6.16 0.00 -1.89 -1.13 119.26 123.76 2h6g h ALA 726 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2h6g h ALA 726 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2h6g h ALA 726 CO -0.00 0.34 0.05 0.93 0.00 0.00 0.00 179.25 180.57 2h6g h GLU 727 N 1.01 1.03 -0.52 0.00 3.07 -1.90 -1.74 114.58 115.52 2h6g h GLU 727 Ca 0.31 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 2h6g h GLU 727 Cb -0.03 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2h6g h GLU 727 CO -0.10 0.98 0.10 2.35 -1.40 0.00 0.00 179.01 180.94 2h6g h TRP 728 N 0.96 0.91 -0.63 4.33 7.01 -0.86 -2.32 115.95 125.35 2h6g h TRP 728 Ca 0.18 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 2h6g h TRP 728 Cb 0.48 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2h6g h TRP 728 CO 0.03 0.81 0.28 0.82 -2.79 0.00 0.00 178.44 177.59 2h6g h ILE 729 N 0.75 1.23 -0.56 2.65 2.04 -1.02 -2.23 117.51 120.37 2h6g h ILE 729 Ca 0.16 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2h6g h ILE 729 Cb 0.38 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2h6g h ILE 729 CO 0.01 0.27 0.37 0.00 0.00 0.00 0.00 178.15 178.80 2h6g h ALA 730 N 1.12 1.68 0.00 1.87 0.00 -1.11 0.96 119.26 123.77 2h6g h ALA 730 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h6g h ALA 730 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h6g h ALA 730 CO -0.02 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 2h6g h ARG 731 N 0.68 0.00 0.00 0.00 3.08 -0.84 -2.05 114.38 115.25 2h6g h ARG 731 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2h6g h ARG 731 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2h6g h ARG 731 CO -0.05 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.80 2h6g s GLN 733 N -3.17 4.48 0.04 0.00 0.74 -0.77 -0.94 119.66 120.05 2h6g s GLN 733 Ca 0.08 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.43 2h6g s GLN 733 Cb 0.08 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2h6g s GLN 733 CO 0.65 -0.08 0.01 0.27 -0.55 0.00 0.00 175.29 175.59 2h6g n ASN 734 N 2.12 1.86 0.21 6.67 6.94 -0.62 -4.91 115.26 127.53 2h6g n ASN 734 Ca 0.03 -1.18 0.18 0.00 -0.02 0.00 0.00 54.58 53.60 2h6g n ASN 734 Cb 0.44 0.02 0.83 0.00 -2.36 0.00 0.00 39.78 38.71 2h6g n ASN 734 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 2h6g h TRP 735 N 0.89 0.00 0.00 -2.53 5.08 -1.94 -0.89 115.95 116.55 2h6g h TRP 735 Ca -0.03 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.85 2h6g h TRP 735 Cb 0.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 2h6g h TRP 735 CO 0.00 0.00 -0.41 0.93 -1.28 0.00 0.00 178.44 177.68 2h6g h GLU 736 N 0.00 0.00 0.00 0.12 5.08 -1.96 -3.47 114.58 114.35 2h6g h GLU 736 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h6g h GLU 736 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2h6g h GLU 736 CO -0.00 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 2h6g n GLY 737 N 0.81 2.15 0.95 -3.84 0.00 -0.34 -4.57 105.19 100.35 2h6g n GLY 737 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2h6g n GLY 737 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6g n GLY 738 N -0.33 -0.78 3.28 -0.02 0.00 -1.26 -3.41 105.19 102.66 2h6g n GLY 738 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2h6g n GLY 738 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6g s ILE 739 N -1.46 1.94 0.45 -0.61 1.01 -1.26 -1.59 121.20 119.68 2h6g s ILE 739 Ca 0.18 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 59.87 2h6g s ILE 739 Cb -0.01 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.87 2h6g s ILE 739 CO 0.13 0.55 0.57 -0.83 0.00 0.00 0.00 174.94 175.35 2h6g s GLY 740 N -0.48 1.96 0.33 6.18 0.00 -0.11 -1.30 107.32 113.90 2h6g s GLY 740 Ca 0.07 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 43.02 2h6g s GLY 740 CO -0.00 -1.58 1.98 -1.33 0.00 0.00 0.00 173.10 172.17 2h6g h GLY 741 N 0.64 1.04 -2.97 0.20 0.00 -1.84 -3.44 103.07 96.70 2h6g h GLY 741 Ca -0.38 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 2h6g h GLY 741 CO 0.47 0.34 -0.42 -1.34 0.00 0.00 0.00 176.54 175.60 2h6g s VAL 742 N -5.81 0.12 0.12 4.60 -7.23 -1.26 -0.54 120.40 110.40 2h6g s VAL 742 Ca -0.11 -1.42 -0.35 0.00 -1.81 0.00 0.00 61.98 58.29 2h6g s VAL 742 Cb 0.18 -1.64 -0.15 0.00 0.56 0.00 0.00 36.38 35.33 2h6g s VAL 742 CO 0.78 -0.52 1.44 -2.65 -0.31 0.00 0.00 175.10 173.84 2h6g n PRO 743 N -0.11 1.60 0.00 4.82 -0.02 -1.26 -1.67 135.00 138.36 2h6g n PRO 743 Ca -0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2h6g n PRO 743 Cb 0.63 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2h6g n PRO 743 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6g n GLY 744 N 2.89 3.10 3.87 -1.23 0.00 -1.26 -5.03 105.19 107.53 2h6g n GLY 744 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2h6g n GLY 744 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h6g s MET 745 N -0.42 3.66 0.39 1.61 -1.94 -0.67 -5.02 119.30 116.91 2h6g s MET 745 Ca 0.00 0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 54.45 2h6g s MET 745 Cb 0.00 -2.12 -0.11 0.00 2.01 0.00 0.00 34.83 34.61 2h6g s MET 745 CO 0.00 -0.48 1.33 -1.91 -0.01 0.00 0.00 175.02 173.95 2h6g n GLU 746 N -2.48 2.17 -1.83 2.03 2.13 -1.26 -4.09 120.64 117.31 2h6g n GLU 746 Ca 0.06 0.77 -0.42 0.00 0.66 0.00 0.00 57.16 58.22 2h6g n GLU 746 Cb 0.54 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 2h6g n GLU 746 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2h6g s ALA 747 N -1.15 3.83 -0.03 4.31 0.00 -1.26 -3.98 121.76 123.48 2h6g s ALA 747 Ca 0.57 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 54.02 2h6g s ALA 747 Cb -0.52 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2h6g s ALA 747 CO 0.61 -0.87 0.06 -1.58 0.00 0.00 0.00 175.76 173.98 2h6g s HIS 748 N 0.87 -0.02 0.30 0.00 2.46 -0.42 -4.67 115.29 113.81 2h6g s HIS 748 Ca 0.70 0.22 0.05 0.00 0.47 0.00 0.00 55.06 56.50 2h6g s HIS 748 Cb -0.47 -0.20 0.70 0.00 -0.13 0.00 0.00 32.58 32.49 2h6g s HIS 748 CO 0.35 -0.11 1.77 0.78 -2.47 0.00 0.00 174.74 175.07 2h6g h GLY 749 N 7.28 1.72 0.74 1.59 0.00 -1.32 0.23 103.07 113.31 2h6g h GLY 749 Ca -0.45 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 2h6g h GLY 749 CO 0.46 -0.06 -0.01 -1.33 0.00 0.00 0.00 176.54 175.61 2h6g h GLY 750 N 0.75 0.19 2.00 4.60 0.00 -1.86 -1.06 103.07 107.69 2h6g h GLY 750 Ca 0.56 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 2h6g h GLY 750 CO -0.38 0.13 -0.44 -0.97 0.00 0.00 0.00 176.54 174.89 2h6g h TYR 751 N -0.12 0.00 -0.28 5.60 0.99 -1.70 -2.15 116.97 119.30 2h6g h TYR 751 Ca 0.03 -0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.62 2h6g h TYR 751 Cb 0.38 -0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.10 2h6g h TYR 751 CO 0.04 0.44 -0.36 1.15 -0.00 0.00 0.00 178.16 179.43 2h6g h THR 752 N 0.00 1.30 0.05 -2.88 2.02 -0.44 -0.13 112.91 112.83 2h6g h THR 752 Ca -0.00 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 2h6g h THR 752 Cb 0.78 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2h6g h THR 752 CO 0.06 0.49 -0.03 0.15 0.37 0.00 0.00 175.52 176.56 2h6g h PHE 753 N 0.49 -0.09 -0.51 3.16 3.57 -1.01 -0.79 116.94 121.76 2h6g h PHE 753 Ca 0.04 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2h6g h PHE 753 Cb 0.94 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 2h6g h PHE 753 CO 0.07 -0.05 0.18 0.00 -2.23 0.00 0.00 178.31 176.28 2h6g h GLY 755 N 0.35 -0.43 0.98 0.00 0.00 -0.66 -1.55 103.07 101.76 2h6g h GLY 755 Ca 0.25 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 2h6g h GLY 755 CO -0.26 -0.16 0.02 -2.00 0.00 0.00 0.00 176.54 174.14 2h6g h LEU 756 N -0.49 0.78 -0.81 3.11 5.85 -1.03 -1.97 115.31 120.75 2h6g h LEU 756 Ca -0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2h6g h LEU 756 Cb 0.37 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2h6g h LEU 756 CO 0.07 0.88 0.52 0.00 -0.34 0.00 0.00 178.44 179.57 2h6g h ALA 757 N 0.93 1.03 -0.60 1.25 0.00 -1.00 0.35 119.26 121.21 2h6g h ALA 757 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2h6g h ALA 757 Cb 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2h6g h ALA 757 CO 0.02 0.46 0.16 0.00 0.00 0.00 0.00 179.25 179.89 2h6g h ALA 758 N 1.28 0.80 -0.35 0.00 0.00 -1.12 -2.09 119.26 117.77 2h6g h ALA 758 Ca 0.29 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2h6g h ALA 758 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2h6g h ALA 758 CO -0.06 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.51 2h6g h LEU 759 N 0.87 0.58 -0.71 0.00 3.38 -0.70 -1.45 115.31 117.28 2h6g h LEU 759 Ca 0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2h6g h LEU 759 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2h6g h LEU 759 CO -0.00 0.72 0.22 0.58 0.09 0.00 0.00 178.44 180.05 2h6g h VAL 760 N 0.55 1.26 -0.75 1.22 2.07 -0.63 0.21 116.25 120.17 2h6g h VAL 760 Ca 0.10 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2h6g h VAL 760 Cb 0.50 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2h6g h VAL 760 CO 0.03 0.35 0.29 0.40 0.02 0.00 0.00 177.57 178.65 2h6g h ILE 761 N 1.05 1.26 -0.00 4.57 2.04 -0.93 -2.04 117.51 123.45 2h6g h ILE 761 Ca 0.23 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2h6g h ILE 761 Cb 0.31 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2h6g h ILE 761 CO -0.01 0.33 -0.02 0.18 0.00 0.00 0.00 178.15 178.64 2h6g n LEU 762 N -4.30 0.09 -3.60 1.44 4.77 -0.59 -4.91 117.00 109.89 2h6g n LEU 762 Ca 0.06 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2h6g n LEU 762 Cb 0.19 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2h6g n LEU 762 CO 0.41 0.02 0.19 0.29 -1.33 0.00 0.00 177.39 176.97 2h6g n LYS 763 N -1.16 -7.33 -0.86 3.23 5.02 0.50 -4.92 118.16 112.64 2h6g n LYS 763 Ca 0.16 0.80 0.05 0.00 -2.02 0.00 0.00 58.31 57.31 2h6g n LYS 763 Cb 0.22 -5.81 0.11 0.00 -0.02 0.00 0.00 35.03 29.53 2h6g n LYS 763 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2h6g n ARG 764 N -4.77 0.83 -0.02 1.97 5.12 0.21 -4.85 116.66 115.16 2h6g n ARG 764 Ca -0.06 -2.55 0.16 0.00 -1.93 0.00 0.00 57.85 53.48 2h6g n ARG 764 Cb 0.58 -0.91 0.61 0.00 -1.16 0.00 0.00 32.46 31.58 2h6g n ARG 764 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2h6g h GLU 765 N 0.80 0.15 0.00 5.56 3.07 -1.91 -0.89 114.58 121.36 2h6g h GLU 765 Ca -0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2h6g h GLU 765 Cb 1.36 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2h6g h GLU 765 CO 0.04 0.10 0.00 0.54 -1.40 0.00 0.00 179.01 178.29 2h6g n ARG 766 N -4.43 0.04 0.19 2.33 1.74 -1.26 -1.85 116.66 113.42 2h6g n ARG 766 Ca 0.09 0.32 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 2h6g n ARG 766 Cb 0.49 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.99 2h6g n ARG 766 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2h6g h SER 767 N 0.00 0.00 -1.90 0.55 0.02 -1.55 -3.44 113.55 107.23 2h6g h SER 767 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 2h6g h SER 767 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2h6g h SER 767 CO 0.00 0.00 -0.38 -0.76 -1.14 0.00 0.00 176.83 174.55 2h6g s LEU 768 N -5.13 3.97 -0.69 5.07 1.43 -0.77 -4.86 118.68 117.70 2h6g s LEU 768 Ca 0.03 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 2h6g s LEU 768 Cb 0.09 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.73 2h6g s LEU 768 CO 0.46 -0.33 0.96 0.21 0.23 0.00 0.00 176.35 177.88 2h6g s ASN 769 N -4.09 6.23 0.43 2.29 3.84 -1.26 -4.87 114.94 117.51 2h6g s ASN 769 Ca 0.42 -1.15 0.21 0.00 0.21 0.00 0.00 52.86 52.55 2h6g s ASN 769 Cb -0.09 -2.41 0.96 0.00 -0.55 0.00 0.00 41.25 39.17 2h6g s ASN 769 CO 0.30 -1.37 1.87 -0.07 -2.79 0.00 0.00 177.10 175.03 2h6g h LEU 770 N 11.14 0.00 -0.02 3.21 3.38 -1.93 -2.77 115.31 128.33 2h6g h LEU 770 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2h6g h LEU 770 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2h6g h LEU 770 CO 1.17 0.27 -0.00 0.50 0.09 0.00 0.00 178.44 180.47 2h6g h LYS 771 N 0.00 0.03 -0.01 1.13 3.64 -1.98 -0.35 116.57 119.03 2h6g h LYS 771 Ca -0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2h6g h LYS 771 Cb 0.66 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2h6g h LYS 771 CO 0.04 0.35 -0.46 0.66 -2.27 0.00 0.00 179.45 177.76 2h6g h SER 772 N -0.29 0.03 -0.20 4.20 4.64 -1.89 -1.97 113.55 118.07 2h6g h SER 772 Ca 0.00 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2h6g h SER 772 Cb 0.34 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2h6g h SER 772 CO 0.00 0.49 -0.22 0.25 -0.87 0.00 0.00 176.83 176.48 2h6g h LEU 773 N 0.02 0.54 -0.30 5.97 5.85 -1.43 -1.56 115.31 124.41 2h6g h LEU 773 Ca -0.00 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2h6g h LEU 773 Cb 0.83 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2h6g h LEU 773 CO 0.06 0.92 0.18 0.25 -0.34 0.00 0.00 178.44 179.51 2h6g h LEU 774 N 0.18 0.36 -1.10 2.25 5.85 -0.88 -1.22 115.31 120.74 2h6g h LEU 774 Ca 0.03 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2h6g h LEU 774 Cb 0.77 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2h6g h LEU 774 CO 0.05 0.31 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.84 2h6g h GLN 775 N 0.38 0.62 0.07 1.25 4.15 -1.35 -2.32 115.11 117.90 2h6g h GLN 775 Ca 0.11 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2h6g h GLN 775 Cb 0.02 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2h6g h GLN 775 CO -0.02 0.65 -0.03 2.35 -1.93 0.00 0.00 178.83 179.85 2h6g h TRP 776 N 0.58 -0.08 -0.62 3.99 7.01 -0.88 -2.69 115.95 123.26 2h6g h TRP 776 Ca 0.12 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.06 2h6g h TRP 776 Cb 0.39 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2h6g h TRP 776 CO 0.02 0.26 0.16 -0.24 -2.79 0.00 0.00 178.44 175.84 2h6g h VAL 777 N -0.43 1.25 0.00 2.65 3.04 -1.17 -2.39 116.25 119.20 2h6g h VAL 777 Ca -0.01 -0.91 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 2h6g h VAL 777 Cb 0.37 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2h6g h VAL 777 CO 0.01 0.34 -0.13 0.71 -1.01 0.00 0.00 177.57 177.49 2h6g h THR 778 N 0.91 1.07 0.00 3.17 1.35 -1.48 -0.43 112.91 117.49 2h6g h THR 778 Ca 0.20 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2h6g h THR 778 Cb 0.35 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2h6g h THR 778 CO 0.00 0.13 0.00 -1.20 -0.25 0.00 0.00 175.52 174.20 2h6g n SER 779 N -4.34 0.75 -0.01 5.36 7.64 -0.92 -3.02 113.62 119.09 2h6g n SER 779 Ca -0.03 0.64 0.14 0.00 1.01 0.00 0.00 58.87 60.64 2h6g n SER 779 Cb 0.21 -0.81 0.67 0.00 -1.01 0.00 0.00 64.21 63.26 2h6g n SER 779 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2h6g n ARG 780 N -2.27 0.22 -2.83 1.43 5.12 -0.17 -4.75 116.66 113.40 2h6g n ARG 780 Ca 0.03 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.53 2h6g n ARG 780 Cb 0.30 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 2h6g n ARG 780 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2h6g s GLN 781 N -2.79 4.55 -0.17 5.56 0.74 -1.17 -1.63 119.66 124.75 2h6g s GLN 781 Ca 0.21 1.25 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 2h6g s GLN 781 Cb 0.20 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 2h6g s GLN 781 CO 0.50 0.07 1.15 -1.64 -0.55 0.00 0.00 175.29 174.82 2h6g s MET 782 N 0.64 4.27 0.40 1.67 -1.94 0.70 -4.93 119.30 120.12 2h6g s MET 782 Ca 0.46 1.52 0.11 0.00 -1.71 0.00 0.00 55.69 56.07 2h6g s MET 782 Cb -0.21 -3.67 0.92 0.00 2.01 0.00 0.00 34.83 33.88 2h6g s MET 782 CO 0.25 -0.61 1.96 0.07 -0.01 0.00 0.00 175.02 176.68 2h6g h ARG 783 N 7.73 0.53 0.00 2.03 0.11 -1.90 0.45 114.38 123.33 2h6g h ARG 783 Ca -0.25 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 59.72 2h6g h ARG 783 Cb 1.10 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 2h6g h ARG 783 CO 0.95 0.35 -0.69 0.35 0.10 0.00 0.00 179.97 181.04 2h6g h PHE 784 N 0.55 0.00 -0.27 4.08 3.57 -1.92 -3.41 116.94 119.54 2h6g h PHE 784 Ca 0.31 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 2h6g h PHE 784 Cb 0.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2h6g h PHE 784 CO -0.00 0.56 -0.27 0.93 -2.23 0.00 0.00 178.31 177.30 2h6g h GLU 785 N -1.00 0.54 0.00 1.11 3.07 -1.93 -3.47 114.58 112.90 2h6g h GLU 785 Ca -0.12 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2h6g h GLU 785 Cb 0.76 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2h6g h GLU 785 CO -0.07 0.76 0.00 0.41 -1.40 0.00 0.00 179.01 178.71 2h6g n GLY 786 N -0.30 3.28 0.34 -3.84 0.00 0.15 -4.41 105.19 100.40 2h6g n GLY 786 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2h6g n GLY 786 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6g n GLY 787 N -1.72 -0.16 3.55 -0.02 0.00 -1.26 -3.38 105.19 102.19 2h6g n GLY 787 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2h6g n GLY 787 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h6g s PHE 788 N -0.62 2.65 0.22 1.61 0.40 -1.26 -0.21 117.98 120.77 2h6g s PHE 788 Ca 0.06 -0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2h6g s PHE 788 Cb -0.00 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 2h6g s PHE 788 CO 0.04 0.45 0.25 1.14 0.70 0.00 0.00 175.22 177.80 2h6g s GLN 789 N -2.40 3.15 0.09 0.44 -2.07 -0.65 -1.47 119.66 116.75 2h6g s GLN 789 Ca 0.22 -0.88 0.11 0.00 -1.82 0.00 0.00 55.36 52.99 2h6g s GLN 789 Cb -0.10 -2.73 -0.16 0.00 -1.09 0.00 0.00 33.01 28.93 2h6g s GLN 789 CO 0.13 0.44 1.07 0.78 -1.32 0.00 0.00 175.29 176.39 2h6g h GLY 790 N 1.58 0.00 -4.17 2.60 0.00 -1.88 -3.46 103.07 97.74 2h6g h GLY 790 Ca -0.50 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 2h6g h GLY 790 CO 0.62 0.00 -0.57 0.50 0.00 0.00 0.00 176.54 177.09 2h6g s ARG 791 N -2.75 0.53 0.32 4.80 0.52 -1.26 -0.93 118.95 120.18 2h6g s ARG 791 Ca -0.01 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 2h6g s ARG 791 Cb 0.09 0.20 -0.12 0.00 0.52 0.00 0.00 34.95 35.64 2h6g s ARG 791 CO 0.81 -0.12 1.44 0.00 0.02 0.00 0.00 175.30 177.44 2h6g n ASN 793 N 1.31 -4.56 -4.65 0.00 3.02 -1.26 -5.02 115.26 104.10 2h6g n ASN 793 Ca 0.06 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 2h6g n ASN 793 Cb 0.36 -3.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.94 2h6g n ASN 793 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2h6g s LYS 794 N -3.86 2.01 0.61 3.52 1.02 -0.93 -4.97 119.74 117.14 2h6g s LYS 794 Ca 0.00 -2.18 -0.15 0.00 0.02 0.00 0.00 55.97 53.66 2h6g s LYS 794 Cb 0.00 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 2h6g s LYS 794 CO 0.00 -0.13 1.06 -0.51 -0.92 0.00 0.00 175.35 174.85 2h6g s LEU 795 N -3.75 3.45 0.63 3.17 1.43 -1.26 -4.82 118.68 117.53 2h6g s LEU 795 Ca 0.28 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 2h6g s LEU 795 Cb 0.08 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 2h6g s LEU 795 CO 0.14 -1.21 1.16 0.54 0.23 0.00 0.00 176.35 177.22 2h6g s VAL 796 N -2.54 2.84 -0.25 -1.59 0.11 -1.26 -4.19 120.40 113.52 2h6g s VAL 796 Ca 0.63 0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 60.03 2h6g s VAL 796 Cb -0.16 -3.07 0.10 0.00 -1.53 0.00 0.00 36.38 31.72 2h6g s VAL 796 CO 0.39 -0.18 0.57 -0.62 -3.33 0.00 0.00 175.10 171.94 2h6g s ASP 797 N -2.01 -0.79 0.46 3.54 -1.08 -0.54 -4.87 116.67 111.38 2h6g s ASP 797 Ca 0.73 1.32 0.26 0.00 -0.52 0.00 0.00 52.55 54.34 2h6g s ASP 797 Cb -0.26 1.59 1.30 0.00 -1.46 0.00 0.00 42.92 44.09 2h6g s ASP 797 CO 0.37 -0.22 1.79 1.23 0.52 0.00 0.00 175.17 178.85 2h6g h GLY 798 N 7.61 0.70 2.00 2.66 0.00 -0.78 -1.22 103.07 114.03 2h6g h GLY 798 Ca -0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2h6g h GLY 798 CO 0.15 -0.09 -0.29 0.00 0.00 0.00 0.00 176.54 176.31 2h6g n TYR 800 N -3.86 0.00 0.14 0.00 4.02 -0.46 -2.06 117.16 114.94 2h6g n TYR 800 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 2h6g n TYR 800 Cb 0.37 -0.07 0.48 0.00 -0.02 0.00 0.00 39.34 40.10 2h6g n TYR 800 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2h6g h SER 801 N 0.00 0.20 0.00 7.72 0.02 -1.41 -1.66 113.55 118.43 2h6g h SER 801 Ca 0.00 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2h6g h SER 801 Cb 0.05 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2h6g h SER 801 CO 0.00 0.25 -1.28 0.33 -1.14 0.00 0.00 176.83 174.99 2h6g n PHE 802 N -4.40 0.67 -0.30 3.45 7.35 -0.87 -3.23 117.46 120.12 2h6g n PHE 802 Ca -0.01 0.29 0.07 0.00 -0.76 0.00 0.00 57.45 57.04 2h6g n PHE 802 Cb 0.16 -0.92 0.23 0.00 0.35 0.00 0.00 39.48 39.30 2h6g n PHE 802 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2h6g h TRP 803 N -1.00 0.84 0.00 -5.13 -0.00 -1.58 0.33 115.95 109.41 2h6g h TRP 803 Ca -0.28 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.60 2h6g h TRP 803 Cb 1.11 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 30.02 2h6g h TRP 803 CO -0.09 0.23 -0.47 1.96 -0.00 0.00 0.00 178.44 180.06 2h6g h GLN 804 N 0.69 0.00 -0.35 0.49 1.08 -1.53 -3.37 115.11 112.12 2h6g h GLN 804 Ca 0.47 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.71 2h6g h GLN 804 Cb 0.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 2h6g h GLN 804 CO -0.34 0.28 0.24 0.00 -0.95 0.00 0.00 178.83 178.06 2h6g h ALA 805 N -0.81 1.98 0.00 3.87 0.00 -1.56 -0.26 119.26 122.48 2h6g h ALA 805 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2h6g h ALA 805 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2h6g h ALA 805 CO -0.04 -0.04 0.00 0.78 0.00 0.00 0.00 179.25 179.95 2h6g h GLY 806 N 0.28 0.00 2.00 0.00 0.00 -0.48 -1.92 103.07 102.95 2h6g h GLY 806 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2h6g h GLY 806 CO -0.03 0.00 -0.41 1.41 0.00 0.00 0.00 176.54 177.51 2h6g h LEU 807 N 0.00 0.00 -0.50 3.11 3.38 -1.19 -3.26 115.31 116.84 2h6g h LEU 807 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2h6g h LEU 807 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2h6g h LEU 807 CO 0.00 0.41 0.05 -0.07 0.09 0.00 0.00 178.44 178.92 2h6g h LEU 808 N 0.00 0.83 -1.05 1.67 -0.00 -1.48 -0.07 115.31 115.21 2h6g h LEU 808 Ca -0.00 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.52 2h6g h LEU 808 Cb 0.92 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2h6g h LEU 808 CO 0.05 0.90 -0.18 -0.65 -0.00 0.00 0.00 178.44 178.57 2h6g h PRO 809 N 0.73 0.47 -0.40 1.13 0.11 -1.72 1.00 132.00 133.32 2h6g h PRO 809 Ca 0.15 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2h6g h PRO 809 Cb 0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2h6g h PRO 809 CO 0.02 0.63 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.31 2h6g h LEU 810 N 0.43 0.74 -0.68 2.35 3.38 -1.55 -1.66 115.31 118.32 2h6g h LEU 810 Ca 0.07 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 2h6g h LEU 810 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2h6g h LEU 810 CO 0.04 0.91 -0.25 -0.07 0.09 0.00 0.00 178.44 179.16 2h6g h LEU 811 N 0.56 0.77 -0.14 1.67 3.38 -0.73 -1.02 115.31 119.79 2h6g h LEU 811 Ca 0.11 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2h6g h LEU 811 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2h6g h LEU 811 CO 0.03 0.99 0.06 -0.74 0.09 0.00 0.00 178.44 178.87 2h6g h HIS 812 N 0.65 0.12 -0.16 1.13 2.76 -0.64 0.41 115.15 119.42 2h6g h HIS 812 Ca 0.08 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2h6g h HIS 812 Cb 0.76 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 2h6g h HIS 812 CO 0.04 0.07 0.10 -0.09 -1.30 0.00 0.00 177.93 176.75 2h6g h ARG 813 N 0.14 0.20 -0.18 5.26 9.65 -1.16 0.10 114.38 128.40 2h6g h ARG 813 Ca 0.06 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2h6g h ARG 813 Cb 0.02 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 2h6g h ARG 813 CO -0.05 0.14 -0.03 0.00 2.80 0.00 0.00 179.97 182.83 2h6g h ALA 814 N 1.06 0.13 -0.38 2.80 0.00 -0.87 -0.93 119.26 121.07 2h6g h ALA 814 Ca 0.06 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2h6g h ALA 814 Cb -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2h6g h ALA 814 CO -0.01 -0.47 -0.18 -0.07 0.00 0.00 0.00 179.25 178.53 2h6g h LEU 815 N 0.02 0.72 -1.20 0.00 3.38 -0.79 -2.85 115.31 114.60 2h6g h LEU 815 Ca 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2h6g h LEU 815 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2h6g h LEU 815 CO -0.17 0.90 0.12 -0.74 0.09 0.00 0.00 178.44 178.64 2h6g h HIS 816 N 0.64 0.69 0.00 1.13 2.76 -0.34 -1.42 115.15 118.61 2h6g h HIS 816 Ca 0.10 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2h6g h HIS 816 Cb 0.66 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2h6g h HIS 816 CO 0.03 0.58 -0.25 0.00 -1.30 0.00 0.00 177.93 177.00 2h6g h ALA 817 N 1.47 1.15 -0.00 5.26 0.00 -0.95 -2.23 119.26 123.95 2h6g h ALA 817 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2h6g h ALA 817 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2h6g h ALA 817 CO -0.00 0.31 -0.19 1.04 0.00 0.00 0.00 179.25 180.40 2h6g n GLN 818 N -3.60 0.55 -1.77 0.00 6.02 -0.58 -4.94 117.38 113.05 2h6g n GLN 818 Ca -0.01 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 2h6g n GLN 818 Cb 0.38 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2h6g n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h6g n GLY 819 N 1.35 0.52 3.62 1.08 0.00 -0.84 -4.98 105.19 105.93 2h6g n GLY 819 Ca 0.12 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2h6g n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h6g s ASP 820 N -2.91 5.86 0.00 1.61 -1.08 -0.93 -4.86 116.67 114.37 2h6g s ASP 820 Ca 0.00 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.28 2h6g s ASP 820 Cb 0.00 -2.52 1.10 0.00 -1.46 0.00 0.00 42.92 40.04 2h6g s ASP 820 CO 0.00 -1.62 1.80 -0.81 0.52 0.00 0.00 175.17 175.06 2h6g n PRO 821 N 8.28 0.08 0.00 4.34 -0.04 -1.26 -3.48 135.00 142.91 2h6g n PRO 821 Ca 0.25 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2h6g n PRO 821 Cb 0.44 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.56 2h6g n PRO 821 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h6g n ALA 822 N -1.45 3.59 -1.77 0.55 0.00 -1.26 -4.98 120.51 115.19 2h6g n ALA 822 Ca 0.07 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 2h6g n ALA 822 Cb 0.27 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.77 2h6g n ALA 822 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h6g s LEU 823 N -2.66 4.11 0.58 0.00 1.43 -1.23 -4.98 118.68 115.93 2h6g s LEU 823 Ca 0.18 2.87 -0.18 0.00 -1.03 0.00 0.00 54.13 55.97 2h6g s LEU 823 Cb 0.18 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2h6g s LEU 823 CO 0.62 -1.16 1.11 -0.55 0.23 0.00 0.00 176.35 176.61 2h6g s SER 824 N -0.58 5.58 -0.08 2.29 0.15 -1.26 -4.95 113.70 114.85 2h6g s SER 824 Ca 0.61 2.09 0.13 0.00 0.70 0.00 0.00 55.95 59.48 2h6g s SER 824 Cb -0.43 -2.57 0.37 0.00 -1.71 0.00 0.00 66.02 61.69 2h6g s SER 824 CO 0.54 -1.31 1.30 0.23 1.20 0.00 0.00 173.24 175.20 2h6g n MET 825 N -1.66 2.83 0.00 5.44 0.00 -1.26 -4.67 117.12 117.80 2h6g n MET 825 Ca 0.11 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.45 2h6g n MET 825 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.24 2h6g n MET 825 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2h6g n SER 826 N -0.07 0.00 -4.07 7.83 3.41 -1.26 -4.79 113.62 114.66 2h6g n SER 826 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 2h6g n SER 826 Cb 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 2h6g n SER 826 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2h6g s HIS 827 N 0.00 0.58 0.56 7.33 3.76 -1.26 -4.73 115.29 121.53 2h6g s HIS 827 Ca 0.00 -0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 54.08 2h6g s HIS 827 Cb 0.00 -0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.28 2h6g s HIS 827 CO 0.00 -0.19 0.95 -1.58 -0.85 0.00 0.00 174.74 173.07 2h6g s TRP 828 N -2.47 3.58 -0.49 1.40 0.23 -1.26 -4.68 118.94 115.25 2h6g s TRP 828 Ca -0.03 1.18 -0.06 0.00 -2.03 0.00 0.00 56.10 55.17 2h6g s TRP 828 Cb -0.03 -2.61 -0.09 0.00 0.03 0.00 0.00 33.47 30.77 2h6g s TRP 828 CO -0.03 -0.52 3.12 -1.33 0.96 0.00 0.00 176.95 179.15 2h6g n MET 829 N -2.40 2.62 -3.97 4.98 2.81 -1.26 -4.79 117.12 115.11 2h6g n MET 829 Ca 0.05 -1.87 -0.09 0.00 -1.81 0.00 0.00 57.70 53.97 2h6g n MET 829 Cb 0.54 -2.21 -0.06 0.00 -0.71 0.00 0.00 33.22 30.78 2h6g n MET 829 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2h6g s PHE 830 N -0.02 0.35 -0.92 2.03 -0.12 -1.26 -4.83 117.98 113.22 2h6g s PHE 830 Ca 0.63 -0.70 -0.24 0.00 -0.05 0.00 0.00 56.93 56.57 2h6g s PHE 830 Cb 0.31 0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.88 2h6g s PHE 830 CO -0.09 -0.91 1.35 -1.58 -0.05 0.00 0.00 175.22 173.93 2h6g s HIS 831 N -4.00 2.53 0.22 3.49 5.65 -1.26 -4.85 115.29 117.07 2h6g s HIS 831 Ca 0.21 -0.67 -0.09 0.00 0.25 0.00 0.00 55.06 54.76 2h6g s HIS 831 Cb 0.01 -4.62 0.22 0.00 -1.18 0.00 0.00 32.58 27.01 2h6g s HIS 831 CO 0.06 -1.92 1.85 1.96 -0.65 0.00 0.00 174.74 176.05 2h6g h GLN 832 N 9.75 0.89 -0.20 2.88 4.20 -1.88 -2.17 115.11 128.59 2h6g h GLN 832 Ca 0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2h6g h GLN 832 Cb 1.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2h6g h GLN 832 CO 1.34 0.59 0.02 0.37 -0.67 0.00 0.00 178.83 180.48 2h6g h GLN 833 N 0.92 0.34 -0.85 1.46 4.15 -1.88 -2.48 115.11 116.76 2h6g h GLN 833 Ca 0.31 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.64 2h6g h GLN 833 Cb 0.03 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2h6g h GLN 833 CO -0.12 0.51 0.56 0.00 -1.93 0.00 0.00 178.83 177.86 2h6g h ALA 834 N 0.81 1.41 -0.54 3.38 0.00 -1.84 -0.31 119.26 122.17 2h6g h ALA 834 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2h6g h ALA 834 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2h6g h ALA 834 CO 0.01 0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.11 2h6g h LEU 835 N 1.13 0.87 -1.03 0.00 5.85 -1.30 -1.07 115.31 119.75 2h6g h LEU 835 Ca 0.32 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2h6g h LEU 835 Cb -0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 2h6g h LEU 835 CO -0.08 0.92 0.33 1.56 -0.34 0.00 0.00 178.44 180.84 2h6g h GLN 836 N 0.78 1.02 -0.50 1.25 4.20 -0.90 -1.58 115.11 119.38 2h6g h GLN 836 Ca 0.16 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2h6g h GLN 836 Cb 0.43 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2h6g h GLN 836 CO 0.01 0.79 0.08 0.93 -0.67 0.00 0.00 178.83 179.98 2h6g h GLU 837 N 1.01 0.84 -0.25 1.46 5.08 -0.65 -0.37 114.58 121.70 2h6g h GLU 837 Ca 0.25 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2h6g h GLU 837 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2h6g h GLU 837 CO -0.03 0.83 0.11 -0.92 -1.00 0.00 0.00 179.01 178.00 2h6g h TYR 838 N 0.71 0.36 0.14 4.33 3.20 -0.84 -1.19 116.97 123.69 2h6g h TYR 838 Ca 0.15 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2h6g h TYR 838 Cb 0.40 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2h6g h TYR 838 CO 0.03 0.36 -0.07 0.82 -1.64 0.00 0.00 178.16 177.66 2h6g h ILE 839 N 0.26 0.96 -0.59 1.81 2.04 -1.19 -0.04 117.51 120.75 2h6g h ILE 839 Ca 0.08 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2h6g h ILE 839 Cb 0.14 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2h6g h ILE 839 CO -0.01 0.10 0.10 -0.07 0.00 0.00 0.00 178.15 178.27 2h6g h LEU 840 N -0.40 0.94 0.03 1.44 3.38 -1.08 -1.58 115.31 118.05 2h6g h LEU 840 Ca -0.02 -0.26 -0.28 0.00 0.09 0.00 0.00 57.88 57.41 2h6g h LEU 840 Cb 0.32 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2h6g h LEU 840 CO 0.03 0.96 -1.54 0.24 0.09 0.00 0.00 178.44 178.23 2h6g h MET 841 N 0.89 0.06 0.00 1.13 2.86 -1.28 -3.41 114.93 115.18 2h6g h MET 841 Ca 0.18 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2h6g h MET 841 Cb 0.42 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2h6g h MET 841 CO 0.01 0.76 -1.34 0.00 1.06 0.00 0.00 176.91 177.39 2h6g s GLN 844 N -1.18 3.76 -0.17 0.00 -0.21 -1.24 -0.74 119.66 119.87 2h6g s GLN 844 Ca 0.32 -0.24 -0.20 0.00 0.02 0.00 0.00 55.36 55.26 2h6g s GLN 844 Cb 0.18 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 2h6g s GLN 844 CO 0.20 0.50 0.59 0.00 -2.12 0.00 0.00 175.29 174.45 2h6g h PRO 846 N 7.24 0.00 -0.01 0.00 0.13 -1.98 0.24 132.00 137.62 2h6g h PRO 846 Ca -0.35 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2h6g h PRO 846 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2h6g h PRO 846 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 2h6g n ALA 847 N -2.68 2.64 0.00 -0.56 0.00 -1.26 -4.99 120.51 113.66 2h6g n ALA 847 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2h6g n ALA 847 Cb 0.78 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2h6g n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h6g n GLY 848 N 1.05 2.82 0.00 0.00 0.00 0.86 -4.85 105.19 105.07 2h6g n GLY 848 Ca 0.22 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2h6g n GLY 848 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6g n GLY 849 N 0.65 0.97 3.52 -0.02 0.00 -1.26 -4.57 105.19 104.48 2h6g n GLY 849 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 2h6g n GLY 849 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h6g s LEU 850 N -0.98 2.47 0.00 0.99 1.02 -1.26 -0.80 118.68 120.12 2h6g s LEU 850 Ca 0.00 -1.38 -0.04 0.00 0.02 0.00 0.00 54.13 52.73 2h6g s LEU 850 Cb 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 46.19 45.63 2h6g s LEU 850 CO 0.00 -0.55 0.50 0.00 0.02 0.00 0.00 176.35 176.32 2h6g n LEU 851 N -0.81 0.00 0.21 1.79 -0.00 0.08 -3.54 117.00 114.72 2h6g n LEU 851 Ca -0.04 -2.45 -0.10 0.00 -0.00 0.00 0.00 56.01 53.42 2h6g n LEU 851 Cb 0.67 2.52 -0.05 0.00 -0.00 0.00 0.00 43.42 46.55 2h6g n LEU 851 CO 0.45 -0.62 0.52 -0.78 -0.00 0.00 0.00 177.39 176.96 2h6g h ASP 852 N 1.74 -0.69 -5.05 1.45 1.82 -1.88 -3.37 116.42 110.43 2h6g h ASP 852 Ca -0.25 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.51 2h6g h ASP 852 Cb 1.06 0.21 -0.07 0.00 0.68 0.00 0.00 39.33 41.21 2h6g h ASP 852 CO 0.34 -0.39 0.29 -1.59 -1.61 0.00 0.00 179.24 176.28 2h6g s LYS 853 N -4.54 1.54 0.25 0.28 -2.85 -1.26 -0.25 119.74 112.91 2h6g s LYS 853 Ca -0.10 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 53.76 2h6g s LYS 853 Cb 0.02 0.55 -0.14 0.00 -2.06 0.00 0.00 37.83 36.20 2h6g s LYS 853 CO 0.32 -0.70 1.31 -2.30 0.10 0.00 0.00 175.35 174.08 2h6g n PRO 854 N -0.44 1.83 0.00 1.78 -0.02 -1.23 -1.59 135.00 135.32 2h6g n PRO 854 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2h6g n PRO 854 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2h6g n PRO 854 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6g n GLY 855 N 1.86 3.10 3.92 -1.23 0.00 -1.26 -5.06 105.19 106.52 2h6g n GLY 855 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2h6g n GLY 855 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6g s LYS 856 N -0.57 3.39 0.22 1.61 -0.14 -0.62 -5.09 119.74 118.54 2h6g s LYS 856 Ca 0.00 -0.03 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 2h6g s LYS 856 Cb 0.00 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 2h6g s LYS 856 CO 0.00 -0.19 0.43 -1.54 -0.76 0.00 0.00 175.35 173.29 2h6g s SER 857 N -4.13 6.40 0.78 2.83 1.04 -1.26 -4.89 113.70 114.47 2h6g s SER 857 Ca 0.47 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2h6g s SER 857 Cb -0.10 -2.04 0.06 0.00 0.10 0.00 0.00 66.02 64.04 2h6g s SER 857 CO 0.42 -0.08 1.09 0.00 0.98 0.00 0.00 173.24 175.65 2h6g s ARG 858 N -3.37 2.17 0.02 4.02 1.70 -1.26 -4.69 118.95 117.54 2h6g s ARG 858 Ca 0.40 1.15 -0.27 0.00 -0.47 0.00 0.00 55.73 56.53 2h6g s ARG 858 Cb -0.11 -1.89 0.09 0.00 -0.57 0.00 0.00 34.95 32.47 2h6g s ARG 858 CO 0.29 -1.70 0.79 0.16 -1.08 0.00 0.00 175.30 173.76 2h6g s ASP 859 N -3.39 -0.46 0.44 -2.89 1.47 -1.23 -5.04 116.67 105.56 2h6g s ASP 859 Ca 0.61 0.11 0.18 0.00 1.18 0.00 0.00 52.55 54.63 2h6g s ASP 859 Cb -0.17 0.46 1.00 0.00 -0.34 0.00 0.00 42.92 43.87 2h6g s ASP 859 CO 0.56 -0.70 1.93 -0.26 0.68 0.00 0.00 175.17 177.39 2h6g h PHE 860 N 2.15 0.00 0.27 2.11 -1.00 -1.98 -2.03 116.94 116.47 2h6g h PHE 860 Ca -0.26 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 2h6g h PHE 860 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2h6g h PHE 860 CO 0.26 0.25 -0.13 -0.92 -1.61 0.00 0.00 178.31 176.16 2h6g h TYR 861 N 0.00 -0.34 -0.08 -0.55 3.20 -1.94 -0.88 116.97 116.39 2h6g h TYR 861 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2h6g h TYR 861 Cb 0.49 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2h6g h TYR 861 CO 0.00 -0.11 -0.29 0.45 -1.64 0.00 0.00 178.16 176.57 2h6g h HIS 862 N -0.52 0.15 -0.25 -3.82 3.86 -1.79 -1.90 115.15 110.89 2h6g h HIS 862 Ca -0.04 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2h6g h HIS 862 Cb 0.39 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2h6g h HIS 862 CO -0.02 0.42 0.12 1.15 0.86 0.00 0.00 177.93 180.46 2h6g h THR 863 N 0.12 1.14 0.05 2.45 2.02 -1.20 0.22 112.91 117.72 2h6g h THR 863 Ca 0.02 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2h6g h THR 863 Cb 0.58 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2h6g h THR 863 CO 0.04 0.14 -0.03 0.00 0.37 0.00 0.00 175.52 176.05 2h6g h TYR 865 N -0.10 0.00 -0.39 0.00 -1.99 -1.31 -1.05 116.97 112.13 2h6g h TYR 865 Ca -0.01 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 2h6g h TYR 865 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 2h6g h TYR 865 CO -0.07 0.57 -0.18 0.00 -0.00 0.00 0.00 178.16 178.49 2h6g h LEU 867 N 0.61 1.02 -0.60 0.00 3.38 -1.45 -1.20 115.31 117.07 2h6g h LEU 867 Ca 0.09 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2h6g h LEU 867 Cb 0.73 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2h6g h LEU 867 CO 0.05 1.23 0.35 0.28 0.09 0.00 0.00 178.44 180.45 2h6g h SER 868 N 0.81 0.73 -0.45 -0.43 0.02 -1.09 -1.35 113.55 111.78 2h6g h SER 868 Ca 0.08 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2h6g h SER 868 Cb 0.90 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2h6g h SER 868 CO 0.08 0.59 -0.10 1.23 -1.14 0.00 0.00 176.83 177.49 2h6g h GLY 869 N 0.81 0.99 1.01 -3.77 0.00 -1.08 -2.39 103.07 98.65 2h6g h GLY 869 Ca 0.21 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2h6g h GLY 869 CO -0.04 0.71 0.44 -2.00 0.00 0.00 0.00 176.54 175.65 2h6g h LEU 870 N 0.83 0.89 -0.67 3.11 5.85 -0.82 -1.28 115.31 123.22 2h6g h LEU 870 Ca 0.13 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2h6g h LEU 870 Cb 0.63 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2h6g h LEU 870 CO 0.04 0.69 0.24 -1.28 -0.34 0.00 0.00 178.44 177.80 2h6g h SER 871 N 1.01 0.95 -0.67 1.25 0.87 -1.06 -1.49 113.55 114.40 2h6g h SER 871 Ca 0.26 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2h6g h SER 871 Cb -0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2h6g h SER 871 CO -0.05 0.88 0.32 0.40 -0.53 0.00 0.00 176.83 177.85 2h6g h ILE 872 N 0.96 1.22 0.00 2.23 2.04 -1.05 -2.03 117.51 120.88 2h6g h ILE 872 Ca 0.22 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2h6g h ILE 872 Cb 0.25 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2h6g h ILE 872 CO -0.01 0.26 -0.24 0.00 0.00 0.00 0.00 178.15 178.15 2h6g h ALA 873 N 1.15 1.40 0.00 1.87 0.00 -0.83 -3.06 119.26 119.80 2h6g h ALA 873 Ca 0.23 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2h6g h ALA 873 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2h6g h ALA 873 CO -0.03 0.31 -1.11 1.96 0.00 0.00 0.00 179.25 180.38 2h6g h GLN 874 N 0.00 0.00 -5.13 0.00 4.20 -0.87 -3.43 115.11 109.88 2h6g h GLN 874 Ca -0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2h6g h GLN 874 Cb 0.49 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.93 2h6g h GLN 874 CO 0.03 0.65 -0.86 -1.01 -0.67 0.00 0.00 178.83 176.97 2h6g s HIS 875 N -2.78 2.73 -0.07 2.96 3.76 -0.80 -0.47 115.29 120.62 2h6g s HIS 875 Ca -0.00 -1.47 0.02 0.00 -0.15 0.00 0.00 55.06 53.45 2h6g s HIS 875 Cb 0.09 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2h6g s HIS 875 CO 0.80 -0.70 -0.11 0.12 -0.85 0.00 0.00 174.74 174.00 2h6g s PHE 876 N 1.06 2.83 -0.18 1.40 5.36 -0.86 -4.81 117.98 122.78 2h6g s PHE 876 Ca -0.01 -0.13 -0.12 0.00 -0.96 0.00 0.00 56.93 55.71 2h6g s PHE 876 Cb -0.14 -1.70 0.05 0.00 -0.34 0.00 0.00 43.02 40.89 2h6g s PHE 876 CO -0.07 0.20 0.44 0.20 -1.46 0.00 0.00 175.22 174.53 2h6g s GLY 877 N -0.61 -0.35 -0.30 13.12 0.00 -1.26 -1.67 107.32 116.25 2h6g s GLY 877 Ca 0.09 1.48 -0.08 0.00 0.00 0.00 0.00 44.72 46.21 2h6g s GLY 877 CO 0.01 1.49 0.71 -0.45 0.00 0.00 0.00 173.10 174.86 2h6g s SER 878 N 0.94 -1.09 1.54 1.64 0.15 -0.40 -5.02 113.70 111.45 2h6g s SER 878 Ca -0.06 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2h6g s SER 878 Cb -0.06 2.11 0.00 0.00 -1.71 0.00 0.00 66.02 66.36 2h6g s SER 878 CO -0.08 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2h6g n GLY 879 N 5.37 2.66 1.01 9.45 0.00 -1.26 -1.50 105.19 120.91 2h6g n GLY 879 Ca -0.08 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2h6g n GLY 879 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6g n ALA 880 N 11.11 2.45 -2.54 4.61 0.00 -1.26 -4.93 120.51 129.94 2h6g n ALA 880 Ca 0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.25 2h6g n ALA 880 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 2h6g n ALA 880 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2h6g s MET 881 N -1.75 4.26 -0.03 0.00 1.00 -0.57 -5.07 119.30 117.14 2h6g s MET 881 Ca 0.34 0.62 0.00 0.00 0.00 0.00 0.00 55.69 56.65 2h6g s MET 881 Cb 0.21 -3.34 0.03 0.00 0.00 0.00 0.00 34.83 31.73 2h6g s MET 881 CO 0.31 0.37 0.01 -0.51 0.00 0.00 0.00 175.02 175.20 2h6g s LEU 882 N -0.14 1.03 -0.17 -0.03 1.02 -1.26 -1.27 118.68 117.86 2h6g s LEU 882 Ca 0.29 -0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.38 2h6g s LEU 882 Cb -0.17 -0.22 0.07 0.00 0.02 0.00 0.00 46.19 45.89 2h6g s LEU 882 CO 0.15 -0.12 0.16 -2.28 0.02 0.00 0.00 176.35 174.27 2h6g s HIS 883 N 1.19 -0.07 0.04 0.29 2.46 -0.67 -5.02 115.29 113.51 2h6g s HIS 883 Ca -0.07 0.08 -0.06 0.00 0.47 0.00 0.00 55.06 55.48 2h6g s HIS 883 Cb -0.13 -0.47 -0.05 0.00 -0.13 0.00 0.00 32.58 31.79 2h6g s HIS 883 CO -0.02 -0.50 0.29 -0.51 -2.47 0.00 0.00 174.74 171.53 2h6g s ASP 884 N 2.25 6.50 -0.42 9.88 -0.00 -1.26 -2.03 116.67 131.59 2h6g s ASP 884 Ca 0.04 0.57 0.02 0.00 -0.00 0.00 0.00 52.55 53.18 2h6g s ASP 884 Cb -0.15 -2.09 0.15 0.00 -0.00 0.00 0.00 42.92 40.83 2h6g s ASP 884 CO -0.10 0.21 0.27 -0.69 -0.00 0.00 0.00 175.17 174.86 2h6g s VAL 885 N -1.37 0.82 -0.50 -1.27 1.01 0.38 -5.02 120.40 114.45 2h6g s VAL 885 Ca 0.31 -2.40 -0.17 0.00 0.00 0.00 0.00 61.98 59.72 2h6g s VAL 885 Cb -0.13 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.75 2h6g s VAL 885 CO 0.18 -1.01 0.48 -0.69 0.00 0.00 0.00 175.10 174.06 2h6g s VAL 886 N 0.41 5.13 0.33 2.92 1.01 -1.26 -4.32 120.40 124.61 2h6g s VAL 886 Ca 0.22 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 2h6g s VAL 886 Cb -0.16 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2h6g s VAL 886 CO -0.05 -0.70 1.09 -0.22 0.00 0.00 0.00 175.10 175.22 2h6g s LEU 887 N 1.91 4.40 0.00 3.92 2.96 -1.26 -4.84 118.68 125.77 2h6g s LEU 887 Ca 0.07 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2h6g s LEU 887 Cb -0.24 -3.83 0.00 0.00 0.50 0.00 0.00 46.19 42.62 2h6g s LEU 887 CO 0.07 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2h6g n GLY 888 N 0.89 -1.14 3.77 7.98 0.00 -1.26 -4.84 105.19 110.58 2h6g n GLY 888 Ca 0.01 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 2h6g n GLY 888 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h6g s VAL 889 N 0.00 2.82 0.44 1.61 -7.23 -0.91 -4.84 120.40 112.30 2h6g s VAL 889 Ca 0.00 0.65 0.23 0.00 -1.81 0.00 0.00 61.98 61.05 2h6g s VAL 889 Cb 0.00 -3.35 0.42 0.00 0.56 0.00 0.00 36.38 34.02 2h6g s VAL 889 CO 0.00 0.03 1.82 -0.65 -0.31 0.00 0.00 175.10 175.98 2h6g h PRO 890 N 2.17 0.28 0.00 4.82 0.11 -1.90 -0.65 132.00 136.83 2h6g h PRO 890 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2h6g h PRO 890 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2h6g h PRO 890 CO 0.60 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2h6g n GLU 891 N -4.48 0.04 0.28 1.05 4.71 -1.26 -2.00 120.64 118.98 2h6g n GLU 891 Ca 0.23 0.49 0.17 0.00 -0.01 0.00 0.00 57.16 58.04 2h6g n GLU 891 Cb 0.89 -1.62 0.69 0.00 -1.01 0.00 0.00 31.44 30.39 2h6g n GLU 891 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2h6g h ASN 892 N 0.00 0.00 -2.03 1.62 2.35 -1.43 -3.45 115.58 112.63 2h6g h ASN 892 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 2h6g h ASN 892 Cb 0.05 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.46 2h6g h ASN 892 CO 0.00 0.00 0.96 0.00 -1.65 0.00 0.00 177.43 176.74 2h6g n ALA 893 N -2.09 0.81 -2.48 -0.83 0.00 -0.85 -4.98 120.51 110.10 2h6g n ALA 893 Ca 0.01 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 2h6g n ALA 893 Cb 0.31 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.34 2h6g n ALA 893 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h6g s LEU 894 N 2.94 3.96 0.49 0.00 1.43 -1.26 -5.02 118.68 121.22 2h6g s LEU 894 Ca 0.89 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 2h6g s LEU 894 Cb -0.74 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2h6g s LEU 894 CO 0.49 -0.42 1.10 -1.10 0.23 0.00 0.00 176.35 176.65 2h6g s GLN 895 N -4.16 3.66 0.75 1.70 -1.52 -0.37 -5.00 119.66 114.72 2h6g s GLN 895 Ca 0.45 1.57 -0.12 0.00 -1.95 0.00 0.00 55.36 55.31 2h6g s GLN 895 Cb -0.09 -2.18 0.05 0.00 -0.22 0.00 0.00 33.01 30.56 2h6g s GLN 895 CO 0.31 -0.59 1.11 -1.25 -0.25 0.00 0.00 175.29 174.62 2h6g s PRO 896 N -3.04 2.29 0.02 2.91 0.04 -1.26 -4.84 135.00 131.11 2h6g s PRO 896 Ca 0.67 1.32 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2h6g s PRO 896 Cb -0.23 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2h6g s PRO 896 CO 0.27 -1.64 -0.13 -0.08 0.04 0.00 0.00 177.00 175.47 2h6g s THR 897 N -2.63 1.00 -0.04 1.26 -1.32 -1.26 -4.31 115.64 108.33 2h6g s THR 897 Ca 0.65 -0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 2h6g s THR 897 Cb -0.20 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 2h6g s THR 897 CO 0.51 0.11 1.23 -2.28 -2.21 0.00 0.00 174.62 171.98 2h6g s HIS 898 N -0.60 3.16 0.56 9.09 2.46 -0.02 -4.81 115.29 125.13 2h6g s HIS 898 Ca 0.03 1.17 0.36 0.00 0.47 0.00 0.00 55.06 57.08 2h6g s HIS 898 Cb -0.06 -3.45 1.98 0.00 -0.13 0.00 0.00 32.58 30.92 2h6g s HIS 898 CO 0.00 -1.46 2.26 -1.00 -2.47 0.00 0.00 174.74 172.07 2h6g h PRO 899 N 7.46 0.00 0.00 2.88 0.13 -1.92 0.24 132.00 140.79 2h6g h PRO 899 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 2h6g h PRO 899 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2h6g h PRO 899 CO 0.88 0.02 -0.67 0.28 -0.23 0.00 0.00 178.00 178.28 2h6g h VAL 900 N 0.00 0.75 0.00 1.56 2.07 -1.92 -3.42 116.25 115.29 2h6g h VAL 900 Ca -0.00 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.70 2h6g h VAL 900 Cb 0.10 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2h6g h VAL 900 CO 0.00 0.25 -1.23 -1.22 0.02 0.00 0.00 177.57 175.39 2h6g n TYR 901 N -4.56 0.87 -3.44 1.57 4.02 -1.22 -4.99 117.16 109.41 2h6g n TYR 901 Ca -0.18 0.26 -0.18 0.00 -0.01 0.00 0.00 57.90 57.80 2h6g n TYR 901 Cb 0.45 -0.95 0.09 0.00 -0.02 0.00 0.00 39.34 38.91 2h6g n TYR 901 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2h6g n ASN 902 N -2.69 -2.72 -4.06 7.72 5.15 0.84 -5.00 115.26 114.50 2h6g n ASN 902 Ca -0.03 -0.60 -0.09 0.00 -0.60 0.00 0.00 54.58 53.25 2h6g n ASN 902 Cb 0.64 -5.08 -0.09 0.00 -0.53 0.00 0.00 39.78 34.72 2h6g n ASN 902 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2h6g s ILE 903 N -3.35 0.10 0.33 -1.44 -4.36 -1.26 -4.88 121.20 106.34 2h6g s ILE 903 Ca 0.09 -1.68 -0.27 0.00 -0.26 0.00 0.00 60.65 58.53 2h6g s ILE 903 Cb -0.04 -1.90 -0.13 0.00 1.25 0.00 0.00 42.46 41.64 2h6g s ILE 903 CO 0.72 -0.45 1.10 0.61 0.24 0.00 0.00 174.94 177.17 2h6g n GLY 904 N -0.12 0.03 0.34 6.27 0.00 -1.26 -0.84 105.19 109.61 2h6g n GLY 904 Ca -0.07 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.30 2h6g n GLY 904 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h6g h PRO 905 N 2.11 0.68 -0.69 1.61 0.11 -1.88 -0.43 132.00 133.51 2h6g h PRO 905 Ca -0.42 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2h6g h PRO 905 Cb 1.32 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2h6g h PRO 905 CO 0.61 0.45 0.22 0.38 -0.21 0.00 0.00 178.00 179.45 2h6g h ASP 906 N 0.70 1.00 -0.52 -2.05 2.03 -1.93 -1.46 116.42 114.19 2h6g h ASP 906 Ca 0.28 -0.21 -0.08 0.00 -0.73 0.00 0.00 57.03 56.29 2h6g h ASP 906 Cb 0.21 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 2h6g h ASP 906 CO -0.09 0.94 0.03 0.11 -1.03 0.00 0.00 179.24 179.20 2h6g h LYS 907 N 1.00 0.95 0.06 4.15 1.79 -1.46 -1.05 116.57 122.02 2h6g h LYS 907 Ca 0.22 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2h6g h LYS 907 Cb 0.30 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2h6g h LYS 907 CO -0.01 0.92 -0.03 0.28 -1.08 0.00 0.00 179.45 179.53 2h6g h VAL 908 N 0.88 1.05 -0.39 0.50 2.07 -0.83 -1.25 116.25 118.29 2h6g h VAL 908 Ca 0.17 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2h6g h VAL 908 Cb 0.48 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2h6g h VAL 908 CO 0.02 0.10 0.26 0.40 0.02 0.00 0.00 177.57 178.36 2h6g h ILE 909 N -0.26 1.10 -0.56 4.57 2.04 -1.15 -0.29 117.51 122.95 2h6g h ILE 909 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2h6g h ILE 909 Cb 0.22 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2h6g h ILE 909 CO 0.01 0.10 0.33 -0.61 0.00 0.00 0.00 178.15 177.98 2h6g h GLN 910 N 0.52 0.77 0.01 2.37 4.15 -1.15 -1.02 115.11 120.77 2h6g h GLN 910 Ca 0.14 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2h6g h GLN 910 Cb -0.06 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.47 2h6g h GLN 910 CO -0.03 0.57 -0.01 0.00 -1.93 0.00 0.00 178.83 177.43 2h6g h ALA 911 N 1.16 -0.02 -0.99 3.38 0.00 -0.99 -2.12 119.26 119.68 2h6g h ALA 911 Ca 0.20 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2h6g h ALA 911 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2h6g h ALA 911 CO -0.04 -0.32 0.65 1.79 0.00 0.00 0.00 179.25 181.34 2h6g h THR 912 N -0.40 1.18 -0.55 0.00 1.35 -0.99 -1.04 112.91 112.45 2h6g h THR 912 Ca -0.00 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 65.36 2h6g h THR 912 Cb 0.39 -0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.59 2h6g h THR 912 CO 0.00 0.23 0.09 0.74 -0.25 0.00 0.00 175.52 176.34 2h6g h THR 913 N 1.26 1.25 0.37 6.82 2.02 -1.18 -1.01 112.91 122.45 2h6g h THR 913 Ca 0.39 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2h6g h THR 913 Cb -0.01 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2h6g h THR 913 CO -0.12 0.35 -0.18 0.22 0.37 0.00 0.00 175.52 176.16 2h6g h TYR 914 N 0.81 -0.46 0.00 3.16 3.20 -0.69 -3.11 116.97 119.87 2h6g h TYR 914 Ca 0.17 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 2h6g h TYR 914 Cb 0.40 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2h6g h TYR 914 CO 0.03 -0.23 -0.21 0.74 -1.64 0.00 0.00 178.16 176.84 2h6g h PHE 915 N -0.59 0.00 0.00 -3.82 -1.00 -1.21 -2.49 116.94 107.83 2h6g h PHE 915 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2h6g h PHE 915 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2h6g h PHE 915 CO -0.03 0.21 0.00 -0.07 -1.61 0.00 0.00 178.31 176.82 2h6g h LEU 916 N 0.00 0.00 -0.07 1.54 3.38 -1.11 -0.35 115.31 118.70 2h6g h LEU 916 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h6g h LEU 916 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2h6g h LEU 916 CO 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.47 2h6g n GLN 917 N -2.63 0.34 -4.06 1.13 6.02 -0.94 -4.80 117.38 112.44 2h6g n GLN 917 Ca -0.00 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.62 2h6g n GLN 917 Cb 0.17 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 2h6g n GLN 917 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2h6g s LYS 918 N -2.71 2.88 0.64 -1.09 1.02 -0.14 -5.11 119.74 115.23 2h6g s LYS 918 Ca 0.23 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 2h6g s LYS 918 Cb 0.20 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2h6g s LYS 918 CO 0.51 0.54 1.04 -1.25 -0.92 0.00 0.00 175.35 175.27 2h6g s PRO 919 N -2.63 3.45 -0.03 -1.68 0.04 -1.26 -4.99 135.00 127.91 2h6g s PRO 919 Ca 0.30 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 2h6g s PRO 919 Cb -0.11 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2h6g s PRO 919 CO 0.22 -0.69 1.30 0.08 0.04 0.00 0.00 177.00 177.96 2h6g s VAL 920 N -3.15 3.98 -0.58 -0.36 1.01 -1.26 -4.85 120.40 115.18 2h6g s VAL 920 Ca 0.56 1.33 -0.41 0.00 0.00 0.00 0.00 61.98 63.46 2h6g s VAL 920 Cb -0.12 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 2h6g s VAL 920 CO 0.54 -0.00 2.24 -2.65 0.00 0.00 0.00 175.10 175.23 2h6g n PRO 921 N 5.30 0.05 -2.42 2.72 -0.02 -1.26 -1.20 135.00 138.16 2h6g n PRO 921 Ca 0.12 0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.41 2h6g n PRO 921 Cb 0.45 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 2h6g n PRO 921 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6g n GLY 922 N 7.27 -0.50 3.04 -1.23 0.00 -1.26 -4.99 105.19 107.53 2h6g n GLY 922 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 2h6g n GLY 922 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2h6g s PHE 923 N -3.03 0.12 0.00 1.61 5.36 -0.34 -5.26 117.98 116.45 2h6g s PHE 923 Ca 0.01 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 2h6g s PHE 923 Cb -0.00 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 2h6g s PHE 923 CO 0.01 -0.23 0.10 0.39 -1.46 0.00 0.00 175.22 174.03