#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h42 h GLU 536 N 0.00 0.74 -0.23 5.31 5.08 -2.05 -2.23 114.58 121.19 2h42 h GLU 536 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2h42 h GLU 536 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2h42 h GLU 536 CO 0.00 0.65 -0.29 1.15 -1.00 0.00 0.00 179.01 179.52 2h42 h THR 537 N 0.72 1.27 -0.71 1.13 2.02 -2.05 -2.18 112.91 113.11 2h42 h THR 537 Ca 0.16 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2h42 h THR 537 Cb 0.23 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2h42 h THR 537 CO -0.01 0.42 0.21 -0.09 0.37 0.00 0.00 175.52 176.42 2h42 h ARG 538 N 0.39 1.10 -0.46 6.66 2.43 -1.85 -0.70 114.38 121.95 2h42 h ARG 538 Ca 0.05 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 2h42 h ARG 538 Cb 0.72 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2h42 h ARG 538 CO 0.05 0.95 -0.08 1.49 -1.51 0.00 0.00 179.97 180.87 2h42 h GLU 539 N 1.06 0.87 0.47 0.20 4.81 -1.18 -2.37 114.58 118.44 2h42 h GLU 539 Ca 0.23 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2h42 h GLU 539 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2h42 h GLU 539 CO -0.01 0.96 -0.23 1.25 -0.73 0.00 0.00 179.01 180.25 2h42 h LEU 540 N 0.71 -0.54 -0.92 1.64 5.85 -1.05 -1.12 115.31 119.88 2h42 h LEU 540 Ca 0.12 -0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.02 2h42 h LEU 540 Cb 0.62 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 2h42 h LEU 540 CO 0.04 -0.36 0.50 -0.61 -0.34 0.00 0.00 178.44 177.67 2h42 h GLN 541 N -0.67 0.62 -0.44 1.25 4.15 -1.13 0.12 115.11 119.00 2h42 h GLN 541 Ca -0.06 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 2h42 h GLN 541 Cb 0.51 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2h42 h GLN 541 CO 0.11 0.41 0.04 0.77 -1.93 0.00 0.00 178.83 178.22 2h42 h SER 542 N 0.64 0.74 0.26 -0.69 0.02 -1.10 -2.65 113.55 110.77 2h42 h SER 542 Ca 0.53 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2h42 h SER 542 Cb 0.83 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2h42 h SER 542 CO -0.40 0.84 -0.12 0.25 -1.14 0.00 0.00 176.83 176.25 2h42 h LEU 543 N 0.61 -0.29 -2.71 5.07 5.85 0.15 -2.38 115.31 121.61 2h42 h LEU 543 Ca 0.13 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2h42 h LEU 543 Cb 0.44 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2h42 h LEU 543 CO 0.02 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 2h42 h ALA 544 N -0.13 1.29 0.00 1.25 0.00 -0.91 -2.51 119.26 118.24 2h42 h ALA 544 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2h42 h ALA 544 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2h42 h ALA 544 CO 0.06 -0.00 -1.27 0.00 0.00 0.00 0.00 179.25 178.03 2h42 n ALA 545 N -2.21 3.66 -1.66 0.00 0.00 -1.00 -4.95 120.51 114.35 2h42 n ALA 545 Ca -0.03 -0.49 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 2h42 n ALA 545 Cb 0.08 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.69 2h42 n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h42 s ALA 546 N -3.22 2.73 0.08 0.00 0.00 -0.90 -5.02 121.76 115.44 2h42 s ALA 546 Ca 0.02 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 2h42 s ALA 546 Cb 0.15 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2h42 s ALA 546 CO 0.85 -0.82 0.77 0.14 0.00 0.00 0.00 175.76 176.70 2h42 s VAL 547 N -2.43 4.61 -0.57 0.00 -7.23 -1.26 -5.01 120.40 108.51 2h42 s VAL 547 Ca 0.64 1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 62.24 2h42 s VAL 547 Cb -0.16 -4.12 0.05 0.00 0.56 0.00 0.00 36.38 32.71 2h42 s VAL 547 CO 0.37 0.42 0.87 -0.69 -0.31 0.00 0.00 175.10 175.75 2h42 s VAL 548 N -0.41 4.50 0.97 1.32 1.01 -1.26 -5.04 120.40 121.48 2h42 s VAL 548 Ca 0.38 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2h42 s VAL 548 Cb -0.21 -4.52 0.15 0.00 0.00 0.00 0.00 36.38 31.80 2h42 s VAL 548 CO 0.24 -1.13 0.95 -0.81 0.00 0.00 0.00 175.10 174.35 2h42 n PRO 549 N 7.19 -0.80 -1.71 2.72 -0.04 -1.26 -4.95 135.00 136.15 2h42 n PRO 549 Ca -0.02 -0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 62.93 2h42 n PRO 549 Cb 0.46 -2.23 0.06 0.00 -0.04 0.00 0.00 33.50 31.75 2h42 n PRO 549 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2h42 s SER 550 N -2.46 4.92 0.29 3.54 1.04 -1.26 -4.82 113.70 114.95 2h42 s SER 550 Ca 0.65 2.11 0.04 0.00 0.48 0.00 0.00 55.95 59.23 2h42 s SER 550 Cb -0.23 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 64.01 2h42 s SER 550 CO 0.61 -1.76 1.79 0.00 0.98 0.00 0.00 173.24 174.86 2h42 h ALA 551 N 0.04 1.60 -0.24 5.32 0.00 -1.92 -0.58 119.26 123.47 2h42 h ALA 551 Ca -0.47 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2h42 h ALA 551 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2h42 h ALA 551 CO 0.53 0.02 0.12 0.37 0.00 0.00 0.00 179.25 180.29 2h42 h GLN 552 N 0.81 0.35 -0.76 0.00 4.15 -1.96 0.10 115.11 117.80 2h42 h GLN 552 Ca 0.55 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.88 2h42 h GLN 552 Cb 0.78 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2h42 h GLN 552 CO -0.35 0.35 0.31 1.15 -1.93 0.00 0.00 178.83 178.36 2h42 h THR 553 N 0.26 1.25 0.00 2.39 2.02 -1.65 -2.12 112.91 115.07 2h42 h THR 553 Ca 0.08 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2h42 h THR 553 Cb 0.11 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2h42 h THR 553 CO -0.01 0.32 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 2h42 h LEU 554 N 1.10 0.00 0.83 2.58 3.38 -0.83 -3.47 115.31 118.90 2h42 h LEU 554 Ca 0.25 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.88 2h42 h LEU 554 Cb 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 2h42 h LEU 554 CO -0.02 0.00 -0.31 0.29 0.09 0.00 0.00 178.44 178.49 2h42 n LYS 555 N -3.02 -1.16 0.00 1.13 5.02 0.32 -4.84 118.16 115.61 2h42 n LYS 555 Ca 0.02 1.08 0.09 0.00 -2.02 0.00 0.00 58.31 57.48 2h42 n LYS 555 Cb 0.35 -5.29 0.51 0.00 -0.02 0.00 0.00 35.03 30.58 2h42 n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2h42 n ILE 556 N -2.55 0.07 0.43 -0.18 -5.35 -1.13 -2.17 119.36 108.47 2h42 n ILE 556 Ca -0.17 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.45 2h42 n ILE 556 Cb 0.55 -0.74 0.08 0.00 -1.74 0.00 0.00 39.64 37.79 2h42 n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2h42 n THR 557 N -1.04 0.38 -2.86 7.28 -1.04 -1.26 -4.16 114.28 111.58 2h42 n THR 557 Ca 0.13 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 2h42 n THR 557 Cb 0.07 -0.11 -0.04 0.00 -1.82 0.00 0.00 70.33 68.44 2h42 n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2h42 s ASP 558 N -4.48 7.18 0.61 8.00 1.01 -0.92 -4.68 116.67 123.39 2h42 s ASP 558 Ca 0.03 1.43 0.38 0.00 0.71 0.00 0.00 52.55 55.10 2h42 s ASP 558 Cb 0.13 -2.50 1.96 0.00 1.01 0.00 0.00 42.92 43.52 2h42 s ASP 558 CO 0.76 -0.22 2.22 -0.26 0.21 0.00 0.00 175.17 177.89 2h42 h PHE 559 N 6.83 0.00 -0.11 4.23 -1.00 -1.90 -0.49 116.94 124.50 2h42 h PHE 559 Ca -0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.38 2h42 h PHE 559 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2h42 h PHE 559 CO 0.67 0.02 0.00 0.43 -1.61 0.00 0.00 178.31 177.82 2h42 n SER 560 N -3.27 1.28 -4.56 2.17 7.64 -1.26 -4.84 113.62 110.78 2h42 n SER 560 Ca -0.02 -1.61 -0.47 0.00 1.01 0.00 0.00 58.87 57.78 2h42 n SER 560 Cb 0.15 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2h42 n SER 560 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2h42 n PHE 561 N 0.06 1.04 -4.28 1.43 7.35 -0.19 -4.79 117.46 118.07 2h42 n PHE 561 Ca 0.16 0.73 -0.23 0.00 -0.76 0.00 0.00 57.45 57.35 2h42 n PHE 561 Cb 0.28 -2.22 -0.12 0.00 0.35 0.00 0.00 39.48 37.76 2h42 n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2h42 s SER 562 N -0.39 2.47 0.00 -2.13 0.15 -1.26 -5.04 113.70 107.50 2h42 s SER 562 Ca 0.66 -0.69 0.10 0.00 0.70 0.00 0.00 55.95 56.71 2h42 s SER 562 Cb -0.80 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 2h42 s SER 562 CO 0.56 0.04 0.64 -0.90 1.20 0.00 0.00 173.24 174.79 2h42 n ASP 563 N 1.06 1.27 -0.34 5.45 5.75 -1.26 -4.71 116.55 123.77 2h42 n ASP 563 Ca -0.19 -1.13 0.15 0.00 -0.01 0.00 0.00 54.79 53.60 2h42 n ASP 563 Cb 0.54 0.41 0.37 0.00 -1.03 0.00 0.00 41.12 41.40 2h42 n ASP 563 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2h42 h PHE 564 N 1.18 0.98 -0.37 2.11 0.04 -2.02 -0.19 116.94 118.67 2h42 h PHE 564 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2h42 h PHE 564 Cb 0.34 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2h42 h PHE 564 CO 0.00 0.18 0.00 0.39 -0.60 0.00 0.00 178.31 178.28 2h42 n GLU 565 N -4.75 2.05 -4.12 1.51 1.02 -1.26 -4.90 120.64 110.19 2h42 n GLU 565 Ca 0.24 -1.41 -0.33 0.00 -0.02 0.00 0.00 57.16 55.64 2h42 n GLU 565 Cb 0.64 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 2h42 n GLU 565 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2h42 s LEU 566 N -1.06 3.85 0.44 -4.62 1.43 -0.09 -5.11 118.68 113.52 2h42 s LEU 566 Ca 0.26 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2h42 s LEU 566 Cb 0.14 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2h42 s LEU 566 CO 0.16 0.27 0.68 -0.94 0.23 0.00 0.00 176.35 176.74 2h42 s SER 567 N -1.76 6.02 0.27 2.29 1.04 -1.26 -4.87 113.70 115.43 2h42 s SER 567 Ca 0.23 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 2h42 s SER 567 Cb -0.12 -1.82 0.58 0.00 0.10 0.00 0.00 66.02 64.76 2h42 s SER 567 CO 0.14 -0.59 1.69 0.44 0.98 0.00 0.00 173.24 175.90 2h42 h ASP 568 N 0.42 0.13 -0.37 7.02 5.19 -1.99 0.16 116.42 126.98 2h42 h ASP 568 Ca -0.47 0.15 0.03 0.00 -0.62 0.00 0.00 57.03 56.12 2h42 h ASP 568 Cb 1.23 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.89 2h42 h ASP 568 CO 0.60 -0.03 0.19 0.25 -3.12 0.00 0.00 179.24 177.12 2h42 h LEU 569 N 0.32 0.28 -1.02 1.55 5.85 -1.99 -1.09 115.31 119.20 2h42 h LEU 569 Ca 0.48 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.18 2h42 h LEU 569 Cb 0.87 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2h42 h LEU 569 CO -0.53 0.20 0.19 -0.33 -0.34 0.00 0.00 178.44 177.63 2h42 h GLU 570 N 0.38 0.89 -0.21 1.25 5.08 -1.15 -0.05 114.58 120.77 2h42 h GLU 570 Ca 0.16 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2h42 h GLU 570 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2h42 h GLU 570 CO -0.11 0.76 -0.26 1.79 -1.00 0.00 0.00 179.01 180.20 2h42 h THR 571 N 0.87 1.26 -0.47 1.13 1.35 -0.49 -0.40 112.91 116.15 2h42 h THR 571 Ca 0.20 -1.23 -0.11 0.00 -0.55 0.00 0.00 66.41 64.72 2h42 h THR 571 Cb 0.24 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2h42 h THR 571 CO -0.01 0.39 -0.12 0.00 -0.25 0.00 0.00 175.52 175.53 2h42 h ALA 572 N 1.38 0.65 -0.62 6.62 0.00 -0.39 -1.21 119.26 125.69 2h42 h ALA 572 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2h42 h ALA 572 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2h42 h ALA 572 CO 0.05 0.56 0.22 -0.07 0.00 0.00 0.00 179.25 180.01 2h42 h LEU 573 N 0.76 0.84 -0.61 0.00 3.38 -0.53 -1.71 115.31 117.43 2h42 h LEU 573 Ca 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2h42 h LEU 573 Cb 0.67 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2h42 h LEU 573 CO 0.05 0.77 0.20 0.00 0.09 0.00 0.00 178.44 179.55 2h42 h THR 575 N 0.87 1.22 -0.27 0.00 2.02 -0.71 -0.78 112.91 115.26 2h42 h THR 575 Ca 0.20 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 2h42 h THR 575 Cb 0.28 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2h42 h THR 575 CO -0.01 0.30 -0.03 0.40 0.37 0.00 0.00 175.52 176.55 2h42 h ILE 576 N 0.78 1.27 -0.37 3.11 2.04 -1.00 -2.41 117.51 120.93 2h42 h ILE 576 Ca 0.17 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.09 2h42 h ILE 576 Cb 0.28 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2h42 h ILE 576 CO -0.00 0.31 0.25 -0.09 0.00 0.00 0.00 178.15 178.62 2h42 h ARG 577 N 0.26 0.27 -0.20 2.37 9.65 -0.77 -0.83 114.38 125.15 2h42 h ARG 577 Ca 0.07 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 2h42 h ARG 577 Cb 0.47 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2h42 h ARG 577 CO 0.02 0.18 -0.06 0.52 2.80 0.00 0.00 179.97 183.43 2h42 h MET 578 N 0.28 0.39 -0.68 0.20 2.86 -0.72 -0.90 114.93 116.36 2h42 h MET 578 Ca 0.16 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2h42 h MET 578 Cb 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2h42 h MET 578 CO -0.03 0.66 0.11 0.74 1.06 0.00 0.00 176.91 179.44 2h42 h PHE 579 N 0.10 1.20 0.75 -0.22 -1.00 -0.95 -2.75 116.94 114.06 2h42 h PHE 579 Ca 0.05 -0.17 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 2h42 h PHE 579 Cb 0.52 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.76 2h42 h PHE 579 CO 0.06 1.00 -0.36 1.15 -1.61 0.00 0.00 178.31 178.54 2h42 h THR 580 N 1.05 0.08 0.00 -1.55 2.02 -1.10 0.53 112.91 113.94 2h42 h THR 580 Ca 0.21 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2h42 h THR 580 Cb 0.45 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2h42 h THR 580 CO 0.01 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.38 2h42 n ASP 581 N -5.46 0.47 -1.23 4.18 9.92 -0.35 0.27 116.55 124.35 2h42 n ASP 581 Ca -0.13 0.67 0.11 0.00 -0.53 0.00 0.00 54.79 54.91 2h42 n ASP 581 Cb 0.41 -0.75 0.29 0.00 -0.64 0.00 0.00 41.12 40.43 2h42 n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2h42 n LEU 582 N -2.08 3.58 -2.17 0.64 4.77 -1.04 -4.93 117.00 115.78 2h42 n LEU 582 Ca 0.00 -1.79 -0.16 0.00 -0.03 0.00 0.00 56.01 54.03 2h42 n LEU 582 Cb 0.10 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2h42 n LEU 582 CO 0.12 0.89 -0.19 0.59 -1.33 0.00 0.00 177.39 177.47 2h42 n ASN 583 N 1.44 -4.62 0.07 -1.43 3.02 0.14 -4.87 115.26 109.01 2h42 n ASN 583 Ca 0.22 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.84 2h42 n ASN 583 Cb 0.57 -3.97 -0.03 0.00 -0.61 0.00 0.00 39.78 35.73 2h42 n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2h42 h LEU 584 N 0.00 0.43 -0.52 3.41 3.38 -1.04 -1.76 115.31 119.20 2h42 h LEU 584 Ca -0.37 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.17 2h42 h LEU 584 Cb 1.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2h42 h LEU 584 CO 0.46 1.15 -0.01 0.58 0.09 0.00 0.00 178.44 180.71 2h42 h VAL 585 N 0.18 1.26 0.40 1.22 2.07 -1.81 -2.34 116.25 117.23 2h42 h VAL 585 Ca -0.07 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2h42 h VAL 585 Cb 1.56 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2h42 h VAL 585 CO 0.15 0.39 -0.19 -0.61 0.02 0.00 0.00 177.57 177.34 2h42 h GLN 586 N 0.80 -0.52 -0.08 1.57 4.15 -1.87 -1.28 115.11 117.88 2h42 h GLN 586 Ca 0.15 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.63 2h42 h GLN 586 Cb 0.54 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 2h42 h GLN 586 CO 0.03 -0.34 0.14 -0.91 -1.93 0.00 0.00 178.83 175.82 2h42 h ASN 587 N -1.08 0.00 -0.04 -0.69 2.35 -1.41 -2.28 115.58 112.42 2h42 h ASN 587 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2h42 h ASN 587 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2h42 h ASN 587 CO 0.09 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.36 2h42 n PHE 588 N -3.51 0.12 -3.87 1.19 3.72 -0.88 -5.04 117.46 109.19 2h42 n PHE 588 Ca -0.01 -0.81 -0.32 0.00 -0.05 0.00 0.00 57.45 56.26 2h42 n PHE 588 Cb 0.24 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 2h42 n PHE 588 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2h42 n GLN 589 N -0.96 -0.96 -3.40 -1.08 6.02 -0.60 -4.35 117.38 112.05 2h42 n GLN 589 Ca 0.11 0.42 -0.38 0.00 -0.01 0.00 0.00 57.00 57.15 2h42 n GLN 589 Cb 0.53 -2.13 -0.06 0.00 1.02 0.00 0.00 30.24 29.60 2h42 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2h42 s MET 590 N -5.84 4.03 0.06 -1.09 -1.94 -0.59 -4.74 119.30 109.21 2h42 s MET 590 Ca 0.19 0.54 -0.26 0.00 -1.71 0.00 0.00 55.69 54.45 2h42 s MET 590 Cb -0.11 -3.19 -0.06 0.00 2.01 0.00 0.00 34.83 33.49 2h42 s MET 590 CO 0.87 0.65 0.81 0.15 -0.01 0.00 0.00 175.02 177.49 2h42 s LYS 591 N -1.21 4.54 0.16 2.03 -0.14 -1.26 -4.93 119.74 118.93 2h42 s LYS 591 Ca 0.28 1.15 -0.25 0.00 -1.36 0.00 0.00 55.97 55.79 2h42 s LYS 591 Cb -0.18 -3.36 0.03 0.00 -1.68 0.00 0.00 37.83 32.65 2h42 s LYS 591 CO 0.16 0.28 1.59 1.25 -0.76 0.00 0.00 175.35 177.88 2h42 h HIS 592 N 5.58 -1.06 -0.85 3.18 -0.00 -1.99 -0.54 115.15 119.47 2h42 h HIS 592 Ca -0.44 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.02 2h42 h HIS 592 Cb 1.21 0.52 -0.05 0.00 -0.00 0.00 0.00 27.41 29.09 2h42 h HIS 592 CO 0.65 -0.41 0.55 1.49 -0.00 0.00 0.00 177.93 180.21 2h42 h GLU 593 N -0.29 1.04 -0.48 5.26 4.81 -1.93 -1.17 114.58 121.82 2h42 h GLU 593 Ca 0.16 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2h42 h GLU 593 Cb 0.56 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2h42 h GLU 593 CO -0.55 0.69 -0.00 0.28 -0.73 0.00 0.00 179.01 178.70 2h42 h VAL 594 N 1.07 1.24 -0.24 0.32 2.07 -1.56 -0.86 116.25 118.29 2h42 h VAL 594 Ca 0.34 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2h42 h VAL 594 Cb -0.00 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2h42 h VAL 594 CO -0.11 0.36 -0.09 0.25 0.02 0.00 0.00 177.57 178.00 2h42 h LEU 595 N 0.74 0.49 -0.71 2.57 5.85 -0.64 -1.07 115.31 122.54 2h42 h LEU 595 Ca 0.14 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2h42 h LEU 595 Cb 0.46 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2h42 h LEU 595 CO 0.02 0.77 0.43 0.00 -0.34 0.00 0.00 178.44 179.32 2h42 h ARG 597 N 0.81 0.67 -0.69 0.00 2.43 -1.00 -0.92 114.38 115.68 2h42 h ARG 597 Ca 0.30 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2h42 h ARG 597 Cb 0.10 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2h42 h ARG 597 CO -0.15 0.69 0.34 2.35 -1.51 0.00 0.00 179.97 181.69 2h42 h TRP 598 N 0.54 1.00 -0.74 2.20 7.01 -0.70 0.97 115.95 126.23 2h42 h TRP 598 Ca 0.13 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 2h42 h TRP 598 Cb 0.32 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 2h42 h TRP 598 CO 0.02 0.74 0.28 0.82 -2.79 0.00 0.00 178.44 177.51 2h42 h ILE 599 N 0.97 1.25 -0.07 2.65 2.04 -0.73 -0.91 117.51 122.70 2h42 h ILE 599 Ca 0.24 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 2h42 h ILE 599 Cb 0.11 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2h42 h ILE 599 CO -0.03 0.33 -0.60 -0.07 0.00 0.00 0.00 178.15 177.77 2h42 h LEU 600 N 1.08 0.29 -0.44 1.44 3.38 -0.69 -1.77 115.31 118.59 2h42 h LEU 600 Ca 0.25 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2h42 h LEU 600 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2h42 h LEU 600 CO -0.02 0.82 -0.19 0.28 0.09 0.00 0.00 178.44 179.42 2h42 h SER 601 N 0.19 0.94 -0.20 -0.43 0.02 -0.37 -0.78 113.55 112.92 2h42 h SER 601 Ca -0.01 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2h42 h SER 601 Cb 1.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2h42 h SER 601 CO 0.09 1.12 0.05 0.58 -1.14 0.00 0.00 176.83 177.54 2h42 h VAL 602 N 0.75 1.20 -0.65 2.27 2.07 -1.09 -2.13 116.25 118.67 2h42 h VAL 602 Ca 0.10 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2h42 h VAL 602 Cb 0.76 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2h42 h VAL 602 CO 0.06 0.20 0.41 0.50 0.02 0.00 0.00 177.57 178.76 2h42 h LYS 603 N 0.14 0.79 -0.17 1.57 3.64 -1.25 -2.48 116.57 118.81 2h42 h LYS 603 Ca 0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2h42 h LYS 603 Cb 0.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2h42 h LYS 603 CO -0.00 0.52 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.45 2h42 h LYS 604 N 0.81 0.26 -0.21 1.90 3.64 -0.94 -2.78 116.57 119.25 2h42 h LYS 604 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2h42 h LYS 604 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2h42 h LYS 604 CO -0.09 0.31 0.00 0.09 -2.27 0.00 0.00 179.45 177.49 2h42 n ASN 605 N -4.36 0.60 -4.82 4.20 3.02 -0.82 -4.75 115.26 108.33 2h42 n ASN 605 Ca -0.00 -2.02 -0.33 0.00 -0.03 0.00 0.00 54.58 52.20 2h42 n ASN 605 Cb 0.20 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 2h42 n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2h42 s TYR 606 N -1.79 3.36 -0.45 3.10 1.51 -1.05 -1.60 117.35 120.43 2h42 s TYR 606 Ca 0.06 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.15 2h42 s TYR 606 Cb 0.03 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2h42 s TYR 606 CO 0.03 0.58 0.67 1.03 -1.11 0.00 0.00 175.55 176.75 2h42 s ARG 607 N -1.89 3.27 0.64 -0.62 0.52 -1.26 -4.83 118.95 114.78 2h42 s ARG 607 Ca 0.25 -0.41 0.41 0.00 -0.52 0.00 0.00 55.73 55.46 2h42 s ARG 607 Cb -0.12 -3.97 2.24 0.00 0.52 0.00 0.00 34.95 33.61 2h42 s ARG 607 CO 0.17 -1.07 2.33 -0.22 0.02 0.00 0.00 175.30 176.52 2h42 h LYS 608 N 8.93 0.00 0.00 3.54 3.64 -1.94 -1.72 116.57 129.02 2h42 h LYS 608 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2h42 h LYS 608 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2h42 h LYS 608 CO 0.92 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.37 2h42 n ASN 609 N -3.27 0.14 -4.63 4.20 6.94 -1.26 -4.67 115.26 112.71 2h42 n ASN 609 Ca -0.03 0.52 -0.40 0.00 -0.02 0.00 0.00 54.58 54.65 2h42 n ASN 609 Cb 0.09 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 36.89 2h42 n ASN 609 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2h42 s VAL 610 N -3.03 5.01 0.20 3.53 1.01 -0.65 -4.99 120.40 121.48 2h42 s VAL 610 Ca 0.11 1.09 -0.18 0.00 0.00 0.00 0.00 61.98 63.00 2h42 s VAL 610 Cb 0.15 -3.91 0.17 0.00 0.00 0.00 0.00 36.38 32.79 2h42 s VAL 610 CO 0.46 0.05 1.59 0.00 0.00 0.00 0.00 175.10 177.21 2h42 h ALA 611 N 7.85 0.11 0.00 5.51 0.00 -1.87 -3.39 119.26 127.47 2h42 h ALA 611 Ca -0.28 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2h42 h ALA 611 Cb 1.13 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2h42 h ALA 611 CO 0.76 -0.60 -1.28 0.98 0.00 0.00 0.00 179.25 179.12 2h42 n TYR 612 N -5.45 0.00 -1.72 0.00 9.36 -1.26 -4.82 117.16 113.27 2h42 n TYR 612 Ca 0.06 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.88 2h42 n TYR 612 Cb 0.36 -0.45 -0.03 0.00 -0.63 0.00 0.00 39.34 38.59 2h42 n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2h42 n HIS 613 N -3.89 2.94 -4.22 2.98 8.25 -1.26 -4.26 115.22 115.76 2h42 n HIS 613 Ca -0.21 -2.22 -0.11 0.00 -0.26 0.00 0.00 57.72 54.92 2h42 n HIS 613 Cb 0.52 -2.27 -0.03 0.00 1.12 0.00 0.00 29.99 29.34 2h42 n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2h42 n ASN 614 N 8.66 1.03 -0.31 0.41 0.23 -1.26 -4.66 115.26 119.36 2h42 n ASN 614 Ca 0.49 -1.98 0.14 0.00 -0.53 0.00 0.00 54.58 52.69 2h42 n ASN 614 Cb 0.42 0.48 0.32 0.00 -2.08 0.00 0.00 39.78 38.91 2h42 n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2h42 h TRP 615 N 1.31 0.74 -0.74 -2.53 2.91 -1.86 -1.25 115.95 114.53 2h42 h TRP 615 Ca -0.14 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.92 2h42 h TRP 615 Cb 0.55 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 2h42 h TRP 615 CO 0.00 -0.00 0.47 0.00 -1.03 0.00 0.00 178.44 177.87 2h42 h ARG 616 N 0.46 0.98 -0.37 2.65 2.47 -1.97 0.21 114.38 118.81 2h42 h ARG 616 Ca 0.57 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 59.12 2h42 h ARG 616 Cb 1.06 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2h42 h ARG 616 CO -0.50 0.67 -0.15 1.25 0.56 0.00 0.00 179.97 181.80 2h42 h HIS 617 N 1.00 0.87 -0.52 3.04 -0.00 -1.41 -0.75 115.15 117.38 2h42 h HIS 617 Ca 0.27 -0.21 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 2h42 h HIS 617 Cb -0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.10 2h42 h HIS 617 CO 0.00 0.93 0.12 0.00 -0.00 0.00 0.00 177.93 178.99 2h42 h ALA 618 N 0.81 0.68 -0.27 5.26 0.00 -1.18 -0.47 119.26 124.10 2h42 h ALA 618 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2h42 h ALA 618 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2h42 h ALA 618 CO 0.05 0.38 0.17 0.35 0.00 0.00 0.00 179.25 180.20 2h42 h PHE 619 N 0.72 0.34 -0.56 0.00 3.57 -0.48 -1.28 116.94 119.26 2h42 h PHE 619 Ca 0.16 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2h42 h PHE 619 Cb 0.34 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2h42 h PHE 619 CO 0.02 0.24 0.19 -0.91 -2.23 0.00 0.00 178.31 175.63 2h42 h ASN 620 N 0.35 0.75 -0.43 0.41 2.35 -0.92 0.99 115.58 119.08 2h42 h ASN 620 Ca 0.10 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2h42 h ASN 620 Cb -0.01 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2h42 h ASN 620 CO -0.02 0.70 0.18 0.74 -1.65 0.00 0.00 177.43 177.38 2h42 h THR 621 N 0.80 1.20 -0.53 2.81 2.02 -0.66 0.69 112.91 119.24 2h42 h THR 621 Ca 0.19 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 2h42 h THR 621 Cb 0.20 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2h42 h THR 621 CO -0.01 0.22 -0.08 0.00 0.37 0.00 0.00 175.52 176.01 2h42 h ALA 622 N 1.03 0.85 -0.54 6.16 0.00 -0.73 -0.98 119.26 125.04 2h42 h ALA 622 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2h42 h ALA 622 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2h42 h ALA 622 CO -0.01 0.65 0.13 0.37 0.00 0.00 0.00 179.25 180.39 2h42 h GLN 623 N 0.87 0.84 -0.14 0.00 -0.00 -0.42 0.45 115.11 116.71 2h42 h GLN 623 Ca 0.14 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.65 58.48 2h42 h GLN 623 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 2h42 h GLN 623 CO 0.04 0.76 -0.50 0.00 0.00 0.00 0.00 178.83 179.13 2h42 h MET 625 N 0.30 0.85 -0.20 0.00 1.85 -0.50 -0.49 114.93 116.74 2h42 h MET 625 Ca 0.01 -0.27 -0.01 0.00 -0.61 0.00 0.00 59.70 58.83 2h42 h MET 625 Cb 0.99 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2h42 h MET 625 CO 0.09 0.89 0.10 0.35 -0.40 0.00 0.00 176.91 177.94 2h42 h PHE 626 N 0.71 0.28 -0.57 1.39 3.57 -0.58 -1.19 116.94 120.55 2h42 h PHE 626 Ca 0.14 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2h42 h PHE 626 Cb 0.51 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2h42 h PHE 626 CO 0.04 0.28 0.22 0.00 -2.23 0.00 0.00 178.31 176.62 2h42 h ALA 627 N 0.97 1.31 -0.47 2.41 0.00 -0.93 -0.99 119.26 121.57 2h42 h ALA 627 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2h42 h ALA 627 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2h42 h ALA 627 CO -0.01 0.51 -0.21 0.00 0.00 0.00 0.00 179.25 179.54 2h42 h ALA 628 N 1.42 0.66 -0.47 0.00 0.00 -0.84 0.91 119.26 120.95 2h42 h ALA 628 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2h42 h ALA 628 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2h42 h ALA 628 CO -0.02 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.74 2h42 h LEU 629 N 0.83 0.87 0.00 0.00 3.38 -0.87 -1.92 115.31 117.60 2h42 h LEU 629 Ca 0.11 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2h42 h LEU 629 Cb 0.79 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2h42 h LEU 629 CO 0.07 1.01 0.00 0.29 0.09 0.00 0.00 178.44 179.90 2h42 n LYS 630 N -4.28 0.00 0.04 1.13 4.76 -0.41 -1.25 118.16 118.15 2h42 n LYS 630 Ca 0.00 0.12 -0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2h42 n LYS 630 Cb 0.36 -0.53 0.29 0.00 -1.84 0.00 0.00 35.03 33.31 2h42 n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h42 h ALA 631 N -2.00 1.32 -0.00 7.82 0.00 -1.12 -2.04 119.26 123.23 2h42 h ALA 631 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2h42 h ALA 631 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2h42 h ALA 631 CO 0.00 0.46 -0.08 0.41 0.00 0.00 0.00 179.25 180.04 2h42 n GLY 632 N -0.69 -0.97 2.82 0.00 0.00 -0.16 -4.73 105.19 101.45 2h42 n GLY 632 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2h42 n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h42 n LYS 633 N -0.97 -3.36 0.17 1.61 5.02 -0.77 -4.30 118.16 115.55 2h42 n LYS 633 Ca 0.15 0.81 0.11 0.00 -2.02 0.00 0.00 58.31 57.37 2h42 n LYS 633 Cb 0.26 -5.55 0.09 0.00 -0.02 0.00 0.00 35.03 29.80 2h42 n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h42 h ILE 634 N -0.72 0.04 -0.65 -0.18 1.08 -1.08 -3.38 117.51 112.63 2h42 h ILE 634 Ca -0.46 -1.06 0.13 0.00 -0.39 0.00 0.00 64.86 63.08 2h42 h ILE 634 Cb 1.33 1.80 -0.12 0.00 -3.07 0.00 0.00 36.82 36.76 2h42 h ILE 634 CO 0.53 0.02 -0.17 -0.61 -0.69 0.00 0.00 178.15 177.23 2h42 h GLN 635 N 0.00 -0.01 0.00 2.37 4.15 -1.40 -1.55 115.11 118.67 2h42 h GLN 635 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2h42 h GLN 635 Cb 1.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2h42 h GLN 635 CO 0.00 -0.00 0.00 0.27 -1.93 0.00 0.00 178.83 177.17 2h42 n ASN 636 N -5.44 0.00 -0.87 -0.69 2.04 -1.26 -2.41 115.26 106.63 2h42 n ASN 636 Ca 0.08 -0.91 0.12 0.00 -0.44 0.00 0.00 54.58 53.42 2h42 n ASN 636 Cb 0.34 0.00 0.11 0.00 -2.53 0.00 0.00 39.78 37.70 2h42 n ASN 636 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2h42 n LYS 637 N -0.92 2.13 -4.37 -3.83 5.02 -0.59 -4.97 118.16 110.64 2h42 n LYS 637 Ca 0.16 -1.75 -0.19 0.00 -2.02 0.00 0.00 58.31 54.51 2h42 n LYS 637 Cb 0.07 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 2h42 n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h42 s LEU 638 N -2.07 2.56 0.73 -0.35 1.43 -1.01 -5.05 118.68 114.93 2h42 s LEU 638 Ca 0.27 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2h42 s LEU 638 Cb 0.20 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.72 2h42 s LEU 638 CO 0.34 -0.14 1.11 0.42 0.23 0.00 0.00 176.35 178.31 2h42 s THR 639 N -2.90 2.91 0.39 5.49 -4.23 -1.26 -4.91 115.64 111.12 2h42 s THR 639 Ca 0.24 0.23 0.12 0.00 -1.18 0.00 0.00 61.69 61.10 2h42 s THR 639 Cb -0.01 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.66 2h42 s THR 639 CO 0.08 -0.36 1.87 0.44 -0.54 0.00 0.00 174.62 176.11 2h42 h ASP 640 N -0.76 0.05 -0.20 3.99 3.32 -1.99 -2.00 116.42 118.84 2h42 h ASP 640 Ca -0.45 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 2h42 h ASP 640 Cb 1.28 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2h42 h ASP 640 CO 0.64 0.35 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.10 2h42 h LEU 641 N 0.05 0.64 -1.22 1.55 3.38 -1.99 -1.89 115.31 115.83 2h42 h LEU 641 Ca 0.01 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2h42 h LEU 641 Cb 0.55 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2h42 h LEU 641 CO 0.04 1.06 0.24 -0.33 0.09 0.00 0.00 178.44 179.54 2h42 h GLU 642 N 0.25 0.78 -0.27 1.13 5.08 -1.87 0.15 114.58 119.83 2h42 h GLU 642 Ca 0.01 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2h42 h GLU 642 Cb 0.94 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2h42 h GLU 642 CO 0.08 0.63 -0.46 0.82 -1.00 0.00 0.00 179.01 179.07 2h42 h ILE 643 N 0.78 1.29 0.15 3.13 2.04 -1.33 -0.43 117.51 123.15 2h42 h ILE 643 Ca 0.19 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2h42 h ILE 643 Cb 0.12 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2h42 h ILE 643 CO -0.02 0.53 -0.07 0.25 0.00 0.00 0.00 178.15 178.84 2h42 h LEU 644 N 0.57 -0.18 -0.81 1.44 5.85 -0.42 -2.39 115.31 119.38 2h42 h LEU 644 Ca 0.03 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2h42 h LEU 644 Cb 1.02 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2h42 h LEU 644 CO 0.10 -0.05 0.53 0.00 -0.34 0.00 0.00 178.44 178.67 2h42 h ALA 645 N 0.55 1.03 -0.58 1.25 0.00 -0.66 -2.58 119.26 118.28 2h42 h ALA 645 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2h42 h ALA 645 Cb 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2h42 h ALA 645 CO 0.03 0.40 0.27 -0.07 0.00 0.00 0.00 179.25 179.88 2h42 h LEU 646 N 1.06 0.77 -0.35 0.00 3.38 -0.89 0.30 115.31 119.57 2h42 h LEU 646 Ca 0.30 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2h42 h LEU 646 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2h42 h LEU 646 CO -0.08 0.69 -0.15 0.25 0.09 0.00 0.00 178.44 179.24 2h42 h LEU 647 N 0.79 0.75 -0.41 1.67 5.85 -1.32 -0.05 115.31 122.58 2h42 h LEU 647 Ca 0.20 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2h42 h LEU 647 Cb 0.14 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2h42 h LEU 647 CO -0.02 0.98 0.17 0.40 -0.34 0.00 0.00 178.44 179.63 2h42 h ILE 648 N 0.52 1.19 -0.49 4.05 2.04 -1.30 -2.24 117.51 121.29 2h42 h ILE 648 Ca 0.08 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2h42 h ILE 648 Cb 0.69 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2h42 h ILE 648 CO 0.05 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.63 2h42 h ALA 649 N 1.02 0.63 -0.76 1.87 0.00 -0.27 -1.15 119.26 120.60 2h42 h ALA 649 Ca 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2h42 h ALA 649 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2h42 h ALA 649 CO -0.01 0.21 0.50 0.00 0.00 0.00 0.00 179.25 179.95 2h42 h ALA 650 N 1.06 1.56 0.00 0.00 0.00 -0.84 0.28 119.26 121.32 2h42 h ALA 650 Ca 0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2h42 h ALA 650 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2h42 h ALA 650 CO -0.02 0.36 -0.55 -0.07 0.00 0.00 0.00 179.25 178.97 2h42 h LEU 651 N 0.91 0.00 -1.23 0.00 3.38 -1.06 -3.36 115.31 113.95 2h42 h LEU 651 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2h42 h LEU 651 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2h42 h LEU 651 CO -0.09 0.55 -0.12 -1.20 0.09 0.00 0.00 178.44 177.68 2h42 n SER 652 N -3.29 1.84 0.26 -0.43 7.64 -0.46 -4.73 113.62 114.44 2h42 n SER 652 Ca 0.01 -1.42 0.18 0.00 1.01 0.00 0.00 58.87 58.65 2h42 n SER 652 Cb 0.73 0.20 0.88 0.00 -1.01 0.00 0.00 64.21 65.01 2h42 n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2h42 h HIS 653 N 2.19 0.00 0.00 1.43 2.07 -0.62 -2.85 115.15 117.36 2h42 h HIS 653 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2h42 h HIS 653 Cb 0.52 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.49 2h42 h HIS 653 CO 0.00 0.00 -0.23 -0.25 -3.07 0.00 0.00 177.93 174.38 2h42 n ASP 654 N -2.78 1.92 -4.62 3.10 8.00 -1.26 -4.82 116.55 116.09 2h42 n ASP 654 Ca -0.01 -3.20 -0.49 0.00 0.71 0.00 0.00 54.79 51.80 2h42 n ASP 654 Cb 0.12 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2h42 n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h42 n LEU 655 N -1.15 2.22 -3.11 0.64 4.77 -1.08 -1.89 117.00 117.41 2h42 n LEU 655 Ca 0.15 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 57.02 2h42 n LEU 655 Cb 0.68 -1.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.51 2h42 n LEU 655 CO -0.01 -0.83 0.01 -0.67 -1.33 0.00 0.00 177.39 174.57 2h42 n ASP 656 N 2.55 -5.92 -4.76 -1.43 2.03 -0.63 -4.41 116.55 103.98 2h42 n ASP 656 Ca 0.16 -0.32 -0.40 0.00 0.52 0.00 0.00 54.79 54.75 2h42 n ASP 656 Cb 0.25 -4.78 -0.03 0.00 -0.72 0.00 0.00 41.12 35.84 2h42 n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2h42 s HIS 657 N -3.17 3.33 -1.71 -0.67 5.65 -0.79 -4.95 115.29 112.98 2h42 s HIS 657 Ca 0.34 1.58 0.18 0.00 0.25 0.00 0.00 55.06 57.40 2h42 s HIS 657 Cb -0.15 -3.45 0.40 0.00 -1.18 0.00 0.00 32.58 28.20 2h42 s HIS 657 CO 0.42 -1.12 1.32 0.54 -0.65 0.00 0.00 174.74 175.25 2h42 n ARG 658 N 0.94 2.45 -0.86 2.88 3.00 -1.26 -4.53 116.66 119.27 2h42 n ARG 658 Ca -0.00 -2.17 0.00 0.00 -0.01 0.00 0.00 57.85 55.66 2h42 n ARG 658 Cb 0.44 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.49 2h42 n ARG 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2h42 n GLY 659 N 1.11 0.53 3.66 -0.13 0.00 -1.26 -4.99 105.19 104.11 2h42 n GLY 659 Ca 0.17 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 2h42 n GLY 659 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h42 s VAL 660 N -2.00 5.21 0.03 1.61 1.01 -1.26 -4.77 120.40 120.23 2h42 s VAL 660 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2h42 s VAL 660 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2h42 s VAL 660 CO 0.00 0.25 -0.20 0.20 0.00 0.00 0.00 175.10 175.35 2h42 s ASN 661 N 1.09 2.42 -0.47 3.32 0.01 -1.26 -5.11 114.94 114.95 2h42 s ASN 661 Ca 0.18 -0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 51.70 2h42 s ASN 661 Cb -0.15 -0.21 0.09 0.00 0.41 0.00 0.00 41.25 41.39 2h42 s ASN 661 CO 0.08 0.17 0.38 0.21 -1.51 0.00 0.00 177.10 176.43 2h42 s ASN 662 N -1.03 6.00 0.56 -1.22 3.84 -1.26 -4.94 114.94 116.89 2h42 s ASN 662 Ca 0.07 -1.48 0.33 0.00 0.21 0.00 0.00 52.86 51.99 2h42 s ASN 662 Cb -0.09 -2.13 1.58 0.00 -0.55 0.00 0.00 41.25 40.07 2h42 s ASN 662 CO 0.01 -0.66 2.08 -1.28 -2.79 0.00 0.00 177.10 174.46 2h42 h SER 663 N 8.67 0.00 -0.76 -4.21 0.87 -2.05 -3.38 113.55 112.68 2h42 h SER 663 Ca -0.27 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 59.79 2h42 h SER 663 Cb 1.10 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 2h42 h SER 663 CO 0.87 0.06 1.51 -0.47 -0.53 0.00 0.00 176.83 178.28 2h42 s TYR 664 N -3.93 2.34 -0.93 2.24 6.04 -1.26 -4.79 117.35 117.06 2h42 s TYR 664 Ca -0.01 -0.51 0.17 0.00 0.04 0.00 0.00 57.07 56.76 2h42 s TYR 664 Cb 0.11 -4.41 0.74 0.00 -1.04 0.00 0.00 41.96 37.36 2h42 s TYR 664 CO 0.54 -1.63 1.55 1.51 -1.54 0.00 0.00 175.55 175.97 2h42 n ILE 665 N 7.14 0.86 -0.52 3.14 0.13 -1.26 -2.88 119.36 125.97 2h42 n ILE 665 Ca 0.43 0.21 0.09 0.00 -1.10 0.00 0.00 62.75 62.38 2h42 n ILE 665 Cb 0.47 -0.96 0.29 0.00 -0.84 0.00 0.00 39.64 38.60 2h42 n ILE 665 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2h42 n GLN 666 N -1.61 3.25 0.21 9.51 6.02 -1.26 -4.61 117.38 128.89 2h42 n GLN 666 Ca 0.04 -2.63 0.17 0.00 -0.01 0.00 0.00 57.00 54.57 2h42 n GLN 666 Cb 0.20 -1.67 0.83 0.00 1.02 0.00 0.00 30.24 30.62 2h42 n GLN 666 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2h42 h ARG 667 N 3.25 0.00 0.00 -1.09 0.11 -1.93 -1.66 114.38 113.06 2h42 h ARG 667 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2h42 h ARG 667 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2h42 h ARG 667 CO 0.13 0.00 -0.42 0.66 0.10 0.00 0.00 179.97 180.45 2h42 h SER 668 N 0.00 0.00 -0.45 0.08 4.64 -1.84 -3.28 113.55 112.69 2h42 h SER 668 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2h42 h SER 668 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2h42 h SER 668 CO -0.00 0.42 0.00 -0.62 -0.87 0.00 0.00 176.83 175.76 2h42 n GLU 669 N -3.22 2.46 -2.42 4.77 1.02 -0.63 -4.80 120.64 117.82 2h42 n GLU 669 Ca 0.02 -2.22 -0.38 0.00 -0.02 0.00 0.00 57.16 54.55 2h42 n GLU 669 Cb 0.69 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 2h42 n GLU 669 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2h42 s HIS 670 N -1.41 3.29 0.52 -0.32 2.46 -1.17 -4.91 115.29 113.75 2h42 s HIS 670 Ca 0.40 1.62 0.34 0.00 0.47 0.00 0.00 55.06 57.90 2h42 s HIS 670 Cb 0.23 -3.29 1.49 0.00 -0.13 0.00 0.00 32.58 30.88 2h42 s HIS 670 CO 0.31 -0.88 1.79 -1.35 -2.47 0.00 0.00 174.74 172.14 2h42 h PRO 671 N 3.00 0.06 -0.30 2.88 0.11 -1.93 0.28 132.00 136.09 2h42 h PRO 671 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2h42 h PRO 671 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2h42 h PRO 671 CO 0.64 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.75 2h42 n LEU 672 N -4.25 4.07 -0.32 2.35 4.77 -1.26 -4.71 117.00 117.64 2h42 n LEU 672 Ca 0.26 -3.07 0.26 0.00 -0.03 0.00 0.00 56.01 53.43 2h42 n LEU 672 Cb 1.22 -0.57 0.58 0.00 -2.33 0.00 0.00 43.42 42.32 2h42 n LEU 672 CO 0.38 0.71 1.24 0.00 -1.33 0.00 0.00 177.39 178.39 2h42 h ALA 673 N 1.89 2.48 0.00 -1.18 0.00 -1.17 0.29 119.26 121.56 2h42 h ALA 673 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h42 h ALA 673 Cb 1.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2h42 h ALA 673 CO 0.26 -0.87 0.00 1.04 0.00 0.00 0.00 179.25 179.68 2h42 n GLN 674 N -4.52 0.19 0.02 0.00 6.02 -1.26 -2.97 117.38 114.86 2h42 n GLN 674 Ca 0.26 0.15 -0.06 0.00 -0.01 0.00 0.00 57.00 57.33 2h42 n GLN 674 Cb 0.99 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.63 2h42 n GLN 674 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2h42 h LEU 675 N 0.00 0.00 -7.99 1.08 3.38 -0.80 -3.43 115.31 107.55 2h42 h LEU 675 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 2h42 h LEU 675 Cb 0.17 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.63 2h42 h LEU 675 CO 0.00 0.92 -0.43 -0.72 0.09 0.00 0.00 178.44 178.30 2h42 s TYR 676 N -2.69 3.41 -0.07 1.13 1.13 -1.16 -5.04 117.35 114.06 2h42 s TYR 676 Ca -0.02 -1.82 -0.17 0.00 -1.41 0.00 0.00 57.07 53.66 2h42 s TYR 676 Cb 0.09 -3.30 -0.08 0.00 -1.10 0.00 0.00 41.96 37.57 2h42 s TYR 676 CO 0.82 -0.95 0.50 0.00 -2.51 0.00 0.00 175.55 173.40 2h42 s HIS 678 N 0.42 3.31 -1.38 0.00 3.76 -1.26 -4.60 115.29 115.54 2h42 s HIS 678 Ca 0.38 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.14 2h42 s HIS 678 Cb -0.53 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 31.48 2h42 s HIS 678 CO 0.26 0.29 0.37 0.43 -0.85 0.00 0.00 174.74 175.25 2h42 n SER 679 N -1.47 -4.81 0.07 1.40 7.64 -1.26 -4.90 113.62 110.29 2h42 n SER 679 Ca -0.06 -0.19 -0.12 0.00 1.01 0.00 0.00 58.87 59.52 2h42 n SER 679 Cb 0.57 -3.96 -0.05 0.00 -1.01 0.00 0.00 64.21 59.76 2h42 n SER 679 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2h42 h ILE 680 N -0.80 0.47 -0.27 0.44 2.10 -1.99 -1.40 117.51 116.06 2h42 h ILE 680 Ca -0.44 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.45 2h42 h ILE 680 Cb 1.31 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.50 2h42 h ILE 680 CO 0.51 0.00 -0.04 0.24 -1.08 0.00 0.00 178.15 177.78 2h42 h MET 681 N -0.38 0.43 -0.28 2.19 2.86 -1.98 -2.12 114.93 115.65 2h42 h MET 681 Ca 0.05 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2h42 h MET 681 Cb 0.44 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2h42 h MET 681 CO -0.19 0.49 -0.09 0.93 1.06 0.00 0.00 176.91 179.12 2h42 h GLU 682 N 0.41 0.46 -0.15 1.72 3.07 -1.79 0.78 114.58 119.07 2h42 h GLU 682 Ca 0.09 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2h42 h GLU 682 Cb 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2h42 h GLU 682 CO 0.01 0.55 -0.27 0.45 -1.40 0.00 0.00 179.01 178.36 2h42 h HIS 683 N 0.43 0.30 -0.16 4.33 3.86 -0.60 -1.85 115.15 121.46 2h42 h HIS 683 Ca 0.09 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 2h42 h HIS 683 Cb 0.42 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2h42 h HIS 683 CO 0.01 0.52 -0.20 1.25 0.86 0.00 0.00 177.93 180.37 2h42 h HIS 684 N 0.25 0.52 -0.63 2.45 -0.00 -0.87 -1.72 115.15 115.14 2h42 h HIS 684 Ca 0.04 -0.16 0.08 0.00 -0.00 0.00 0.00 60.37 60.32 2h42 h HIS 684 Cb 0.61 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.85 2h42 h HIS 684 CO 0.01 0.82 0.30 0.45 -0.00 0.00 0.00 177.93 179.51 2h42 h HIS 685 N 0.06 0.53 0.03 5.26 3.86 -0.53 0.13 115.15 124.50 2h42 h HIS 685 Ca 0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2h42 h HIS 685 Cb 0.75 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2h42 h HIS 685 CO 0.09 0.20 -0.01 0.35 0.86 0.00 0.00 177.93 179.42 2h42 h PHE 686 N 0.53 -0.04 -0.79 2.45 3.57 -1.31 0.65 116.94 122.01 2h42 h PHE 686 Ca 0.30 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.96 2h42 h PHE 686 Cb 0.29 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 2h42 h PHE 686 CO -0.12 0.15 0.30 -0.44 -2.23 0.00 0.00 178.31 175.97 2h42 h ASP 687 N -0.22 0.25 -0.39 0.41 3.32 -0.71 0.51 116.42 119.60 2h42 h ASP 687 Ca -0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2h42 h ASP 687 Cb 0.20 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2h42 h ASP 687 CO 0.01 0.06 0.20 1.56 -1.72 0.00 0.00 179.24 179.36 2h42 h GLN 688 N 0.41 0.56 -0.30 3.56 1.08 -0.63 0.06 115.11 119.86 2h42 h GLN 688 Ca 0.45 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.61 2h42 h GLN 688 Cb 0.73 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 2h42 h GLN 688 CO -0.45 0.47 0.06 0.00 -0.95 0.00 0.00 178.83 177.96 2h42 h LEU 690 N 0.17 1.07 -0.15 0.00 5.85 0.08 -2.08 115.31 120.24 2h42 h LEU 690 Ca 0.14 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2h42 h LEU 690 Cb 0.14 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2h42 h LEU 690 CO -0.18 0.95 0.03 -0.03 -0.34 0.00 0.00 178.44 178.87 2h42 h MET 691 N 1.12 0.09 -0.24 1.25 4.05 -0.45 -1.80 114.93 118.95 2h42 h MET 691 Ca 0.26 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.60 2h42 h MET 691 Cb 0.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2h42 h MET 691 CO -0.02 0.06 -0.16 0.82 0.23 0.00 0.00 176.91 177.83 2h42 h ILE 692 N 0.09 1.23 -0.44 1.77 2.04 -1.12 -2.54 117.51 118.54 2h42 h ILE 692 Ca 0.07 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 2h42 h ILE 692 Cb 0.06 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2h42 h ILE 692 CO -0.09 0.33 -0.11 -0.07 0.00 0.00 0.00 178.15 178.20 2h42 h LEU 693 N 0.38 0.79 -0.92 1.44 3.38 -1.01 -2.78 115.31 116.58 2h42 h LEU 693 Ca 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2h42 h LEU 693 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2h42 h LEU 693 CO 0.03 0.92 0.00 0.59 0.09 0.00 0.00 178.44 180.08 2h42 n ASN 694 N -4.16 1.36 -4.70 -0.43 3.02 -0.71 -3.75 115.26 105.89 2h42 n ASN 694 Ca 0.01 -1.83 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 2h42 n ASN 694 Cb 0.37 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 2h42 n ASN 694 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2h42 s SER 695 N -1.27 7.30 -0.04 6.41 0.01 -0.99 -4.96 113.70 120.16 2h42 s SER 695 Ca 0.24 1.64 -0.38 0.00 1.31 0.00 0.00 55.95 58.76 2h42 s SER 695 Cb 0.13 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.62 2h42 s SER 695 CO 0.18 -0.35 1.42 -0.81 0.41 0.00 0.00 173.24 174.09 2h42 n PRO 696 N 4.34 0.95 -0.11 12.44 -0.04 -1.26 0.42 135.00 151.74 2h42 n PRO 696 Ca 0.07 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2h42 n PRO 696 Cb 0.50 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2h42 n PRO 696 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h42 n GLY 697 N 2.88 1.73 0.31 0.55 0.00 -1.26 -4.85 105.19 104.55 2h42 n GLY 697 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 2h42 n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h42 n ASN 698 N 0.00 2.57 -3.87 1.61 3.02 0.17 -4.49 115.26 114.27 2h42 n ASN 698 Ca 0.00 -2.32 -0.42 0.00 -0.03 0.00 0.00 54.58 51.81 2h42 n ASN 698 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2h42 n ASN 698 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h42 n GLN 699 N -0.37 3.22 0.05 3.52 6.02 -1.22 -4.64 117.38 123.95 2h42 n GLN 699 Ca 0.09 -3.08 0.05 0.00 -0.01 0.00 0.00 57.00 54.04 2h42 n GLN 699 Cb 0.45 -3.14 0.24 0.00 1.02 0.00 0.00 30.24 28.81 2h42 n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2h42 n ILE 700 N 4.40 1.46 -0.99 5.09 -5.35 -1.26 -1.51 119.36 121.20 2h42 n ILE 700 Ca 0.46 0.47 0.06 0.00 -0.27 0.00 0.00 62.75 63.47 2h42 n ILE 700 Cb 0.38 -1.41 0.32 0.00 -1.74 0.00 0.00 39.64 37.19 2h42 n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2h42 n LEU 701 N -1.73 4.78 0.08 7.28 4.77 -1.26 -4.55 117.00 126.37 2h42 n LEU 701 Ca 0.01 -3.04 -0.06 0.00 -0.03 0.00 0.00 56.01 52.89 2h42 n LEU 701 Cb 0.07 -0.62 0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2h42 n LEU 701 CO 0.07 0.69 0.45 0.77 -1.33 0.00 0.00 177.39 178.04 2h42 h SER 702 N 2.64 0.29 0.00 -1.43 4.64 -1.62 -3.03 113.55 115.03 2h42 h SER 702 Ca 0.03 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2h42 h SER 702 Cb 1.74 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2h42 h SER 702 CO 0.38 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 2h42 n GLY 703 N 0.34 -0.63 3.91 -0.77 0.00 -1.26 -4.81 105.19 101.97 2h42 n GLY 703 Ca -0.03 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2h42 n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h42 s LEU 704 N -1.80 3.76 0.85 0.99 1.02 -1.15 -4.92 118.68 117.43 2h42 s LEU 704 Ca 0.24 0.87 -0.12 0.00 0.02 0.00 0.00 54.13 55.14 2h42 s LEU 704 Cb 0.11 -3.79 0.10 0.00 0.02 0.00 0.00 46.19 42.63 2h42 s LEU 704 CO 0.19 -0.47 1.16 -0.94 0.02 0.00 0.00 176.35 176.30 2h42 s SER 705 N -3.85 4.12 0.30 2.29 1.04 -1.26 -4.81 113.70 111.53 2h42 s SER 705 Ca 0.47 0.88 -0.02 0.00 0.48 0.00 0.00 55.95 57.76 2h42 s SER 705 Cb -0.10 -1.42 0.44 0.00 0.10 0.00 0.00 66.02 65.03 2h42 s SER 705 CO 0.40 -2.16 1.95 0.40 0.98 0.00 0.00 173.24 174.81 2h42 h ILE 706 N -1.23 1.21 0.28 -1.02 2.04 -1.98 -1.12 117.51 115.70 2h42 h ILE 706 Ca -0.48 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2h42 h ILE 706 Cb 1.33 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2h42 h ILE 706 CO 0.64 0.22 -0.13 -0.33 0.00 0.00 0.00 178.15 178.54 2h42 h GLU 707 N 1.08 -0.36 -0.92 2.37 4.39 -2.00 -2.67 114.58 116.48 2h42 h GLU 707 Ca 0.29 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.26 2h42 h GLU 707 Cb -0.07 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 28.52 2h42 h GLU 707 CO -0.06 -0.08 0.37 0.93 -1.16 0.00 0.00 179.01 179.01 2h42 h GLU 708 N -1.01 0.29 0.10 2.33 5.08 -1.91 0.14 114.58 119.60 2h42 h GLU 708 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h42 h GLU 708 Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2h42 h GLU 708 CO 0.06 0.19 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.30 2h42 h TYR 709 N 0.30 -0.13 -0.55 4.33 3.20 -1.25 0.11 116.97 122.98 2h42 h TYR 709 Ca 0.60 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.51 2h42 h TYR 709 Cb 1.23 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2h42 h TYR 709 CO -0.16 -0.03 0.30 0.87 -1.64 0.00 0.00 178.16 177.51 2h42 h LYS 710 N -0.19 0.57 0.17 1.82 1.57 -0.45 0.06 116.57 120.12 2h42 h LYS 710 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2h42 h LYS 710 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2h42 h LYS 710 CO 0.02 0.38 -0.08 1.15 -0.57 0.00 0.00 179.45 180.35 2h42 h THR 711 N 0.59 0.83 -0.86 -0.16 2.02 -0.85 -2.15 112.91 112.33 2h42 h THR 711 Ca 0.23 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.44 2h42 h THR 711 Cb 0.10 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 2h42 h THR 711 CO -0.14 0.01 0.54 0.74 0.37 0.00 0.00 175.52 177.04 2h42 h THR 712 N -0.25 1.08 -0.25 3.16 2.02 -0.58 -1.80 112.91 116.29 2h42 h THR 712 Ca -0.02 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 2h42 h THR 712 Cb 0.19 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2h42 h THR 712 CO 0.04 0.19 -0.21 -0.07 0.37 0.00 0.00 175.52 175.84 2h42 h LEU 713 N 1.02 0.44 -0.27 2.58 3.38 -0.83 -1.16 115.31 120.47 2h42 h LEU 713 Ca 0.36 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2h42 h LEU 713 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2h42 h LEU 713 CO -0.15 0.66 -0.28 0.50 0.09 0.00 0.00 178.44 179.26 2h42 h LYS 714 N 0.40 0.68 -0.60 1.13 3.64 -0.78 -1.30 116.57 119.74 2h42 h LYS 714 Ca 0.07 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2h42 h LYS 714 Cb 0.59 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2h42 h LYS 714 CO 0.04 0.97 0.32 0.82 -2.27 0.00 0.00 179.45 179.33 2h42 h ILE 715 N 0.41 1.20 0.06 2.00 2.04 -1.16 -1.98 117.51 120.07 2h42 h ILE 715 Ca 0.04 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2h42 h ILE 715 Cb 0.85 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2h42 h ILE 715 CO 0.07 0.22 -0.03 0.40 0.00 0.00 0.00 178.15 178.82 2h42 h ILE 716 N 0.82 0.96 -0.76 -0.67 2.04 -1.13 -0.18 117.51 118.60 2h42 h ILE 716 Ca 0.21 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 66.11 2h42 h ILE 716 Cb 0.07 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2h42 h ILE 716 CO -0.03 0.01 0.40 0.50 0.00 0.00 0.00 178.15 179.03 2h42 h LYS 717 N -0.10 0.65 -0.35 2.37 3.64 -1.01 0.10 116.57 121.88 2h42 h LYS 717 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2h42 h LYS 717 Cb 0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2h42 h LYS 717 CO 0.01 0.43 -0.28 1.96 -2.27 0.00 0.00 179.45 179.30 2h42 h GLN 718 N 0.67 0.81 -0.75 1.90 4.20 -1.17 -1.18 115.11 119.60 2h42 h GLN 718 Ca 0.37 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2h42 h GLN 718 Cb 0.37 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2h42 h GLN 718 CO -0.26 1.04 0.49 0.00 -0.67 0.00 0.00 178.83 179.43 2h42 h ALA 719 N 0.76 0.95 -0.19 3.87 0.00 -0.19 0.53 119.26 124.99 2h42 h ALA 719 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2h42 h ALA 719 Cb 0.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2h42 h ALA 719 CO 0.07 0.35 -0.06 0.82 0.00 0.00 0.00 179.25 180.44 2h42 h ILE 720 N 1.00 1.29 -0.15 0.00 2.04 -0.71 -2.95 117.51 118.03 2h42 h ILE 720 Ca 0.28 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2h42 h ILE 720 Cb -0.10 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2h42 h ILE 720 CO -0.07 0.32 0.01 -0.07 0.00 0.00 0.00 178.15 178.34 2h42 h LEU 721 N 0.08 0.19 -2.55 1.44 3.38 -0.91 -1.16 115.31 115.79 2h42 h LEU 721 Ca 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2h42 h LEU 721 Cb 0.51 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2h42 h LEU 721 CO 0.02 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.77 2h42 h ALA 722 N 1.80 1.37 0.00 1.53 0.00 -0.71 -1.72 119.26 121.53 2h42 h ALA 722 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2h42 h ALA 722 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2h42 h ALA 722 CO 0.00 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.51 2h42 n THR 723 N -3.63 0.11 -2.42 0.00 -2.24 -0.44 -4.46 114.28 101.21 2h42 n THR 723 Ca -0.03 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2h42 n THR 723 Cb 0.09 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.58 2h42 n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h42 s ASP 724 N -2.15 6.41 0.55 3.42 -1.08 -0.65 -4.86 116.67 118.31 2h42 s ASP 724 Ca 0.27 0.71 0.33 0.00 -0.52 0.00 0.00 52.55 53.33 2h42 s ASP 724 Cb 0.13 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.53 2h42 s ASP 724 CO 0.24 -1.40 1.84 0.25 0.52 0.00 0.00 175.17 176.63 2h42 h LEU 725 N 11.97 0.00 -0.92 -1.34 5.85 -1.89 0.34 115.31 129.31 2h42 h LEU 725 Ca -0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2h42 h LEU 725 Cb 1.09 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2h42 h LEU 725 CO 1.10 0.00 0.47 0.00 -0.34 0.00 0.00 178.44 179.67 2h42 h ALA 726 N 1.45 1.17 0.00 1.25 0.00 -1.89 -1.30 119.26 119.94 2h42 h ALA 726 Ca 0.43 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2h42 h ALA 726 Cb 1.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2h42 h ALA 726 CO -0.00 0.66 -0.35 -0.07 0.00 0.00 0.00 179.25 179.48 2h42 h LEU 727 N 1.24 0.00 -0.23 0.00 3.38 -1.23 -0.76 115.31 117.71 2h42 h LEU 727 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 2h42 h LEU 727 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2h42 h LEU 727 CO -0.05 0.35 -0.04 0.22 0.09 0.00 0.00 178.44 179.02 2h42 h TYR 728 N 0.00 0.48 -0.95 1.13 3.20 -1.22 -1.49 116.97 118.12 2h42 h TYR 728 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2h42 h TYR 728 Cb 0.66 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2h42 h TYR 728 CO 0.00 0.65 0.57 0.82 -1.64 0.00 0.00 178.16 178.56 2h42 h ILE 729 N 0.18 1.26 -0.44 1.81 1.08 -0.96 0.29 117.51 120.72 2h42 h ILE 729 Ca 0.06 -0.57 -0.14 0.00 -0.39 0.00 0.00 64.86 63.82 2h42 h ILE 729 Cb 0.49 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2h42 h ILE 729 CO 0.02 0.27 -0.28 0.50 -0.69 0.00 0.00 178.15 177.97 2h42 h LYS 730 N 1.31 0.97 0.00 2.37 3.64 -0.96 -3.36 116.57 120.54 2h42 h LYS 730 Ca 0.34 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2h42 h LYS 730 Cb -0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2h42 h LYS 730 CO -0.06 1.12 -1.10 0.54 -2.27 0.00 0.00 179.45 177.68 2h42 n ARG 731 N -4.10 0.44 -0.38 1.90 1.74 -0.58 -4.55 116.66 111.14 2h42 n ARG 731 Ca -0.01 -0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 2h42 n ARG 731 Cb 0.49 -1.45 0.11 0.00 -1.02 0.00 0.00 32.46 30.60 2h42 n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2h42 h ARG 732 N 0.00 1.31 -0.58 5.56 0.11 -1.08 -2.56 114.38 117.14 2h42 h ARG 732 Ca 0.00 -0.08 0.11 0.00 0.10 0.00 0.00 59.98 60.12 2h42 h ARG 732 Cb 0.55 -0.29 -0.09 0.00 1.11 0.00 0.00 29.97 31.24 2h42 h ARG 732 CO 0.00 0.86 0.06 0.78 0.10 0.00 0.00 179.97 181.78 2h42 h GLY 733 N 1.35 0.68 1.00 0.08 0.00 -1.80 0.16 103.07 104.53 2h42 h GLY 733 Ca 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 2h42 h GLY 733 CO -0.09 -0.14 0.35 -2.09 0.00 0.00 0.00 176.54 174.57 2h42 h GLU 734 N 0.18 0.79 -0.02 4.80 4.81 -1.76 -2.13 114.58 121.25 2h42 h GLU 734 Ca 0.30 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2h42 h GLU 734 Cb 0.46 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2h42 h GLU 734 CO -0.44 0.57 0.01 0.35 -0.73 0.00 0.00 179.01 178.77 2h42 h PHE 735 N 0.79 0.04 -0.72 0.92 3.57 -0.95 -2.27 116.94 118.31 2h42 h PHE 735 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2h42 h PHE 735 Cb -0.02 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 2h42 h PHE 735 CO -0.02 0.16 0.39 0.74 -2.23 0.00 0.00 178.31 177.35 2h42 h PHE 736 N -0.10 0.71 -0.53 0.41 0.05 -0.59 -2.44 116.94 114.46 2h42 h PHE 736 Ca 0.01 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.76 2h42 h PHE 736 Cb 0.14 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 2h42 h PHE 736 CO -0.03 0.30 0.08 1.49 -0.18 0.00 0.00 178.31 179.97 2h42 h GLU 737 N 0.69 0.88 -0.93 1.51 4.81 -1.29 0.26 114.58 120.52 2h42 h GLU 737 Ca 0.34 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2h42 h GLU 737 Cb 0.29 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 2h42 h GLU 737 CO -0.23 0.87 0.58 -0.07 -0.73 0.00 0.00 179.01 179.43 2h42 h LEU 738 N 0.77 0.89 -0.05 1.64 3.38 -0.97 -0.19 115.31 120.78 2h42 h LEU 738 Ca 0.16 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2h42 h LEU 738 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2h42 h LEU 738 CO 0.01 0.54 -0.20 0.40 0.09 0.00 0.00 178.44 179.29 2h42 h ILE 739 N 1.01 1.46 -1.00 1.22 2.04 -1.07 0.20 117.51 121.37 2h42 h ILE 739 Ca 0.42 -1.65 0.10 0.00 1.00 0.00 0.00 64.86 64.73 2h42 h ILE 739 Cb 0.26 2.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.67 2h42 h ILE 739 CO -0.20 0.46 0.64 -0.09 0.00 0.00 0.00 178.15 178.95 2h42 h ARG 740 N -0.33 1.03 -0.56 2.37 2.43 -0.07 -1.75 114.38 117.49 2h42 h ARG 740 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2h42 h ARG 740 Cb 0.85 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2h42 h ARG 740 CO 0.04 0.68 0.00 1.63 -1.51 0.00 0.00 179.97 180.82 2h42 n LYS 741 N -4.58 2.56 -1.81 0.20 5.02 -0.12 -4.93 118.16 114.51 2h42 n LYS 741 Ca 0.17 -1.93 -0.19 0.00 -2.02 0.00 0.00 58.31 54.34 2h42 n LYS 741 Cb 0.29 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 2h42 n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2h42 n ASN 742 N 0.86 -5.41 0.01 4.39 3.02 -0.66 -4.87 115.26 112.60 2h42 n ASN 742 Ca 0.18 0.33 0.11 0.00 -0.03 0.00 0.00 54.58 55.17 2h42 n ASN 742 Cb 0.55 -4.57 0.11 0.00 -0.61 0.00 0.00 39.78 35.26 2h42 n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h42 n GLN 743 N -2.57 0.07 -1.68 3.52 6.02 0.63 -4.95 117.38 118.43 2h42 n GLN 743 Ca -0.21 0.00 -0.61 0.00 -0.01 0.00 0.00 57.00 56.18 2h42 n GLN 743 Cb 0.65 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 30.30 2h42 n GLN 743 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2h42 n PHE 744 N -1.62 1.66 -3.44 1.08 7.35 -0.79 -4.93 117.46 116.77 2h42 n PHE 744 Ca 0.04 0.84 -0.21 0.00 -0.76 0.00 0.00 57.45 57.37 2h42 n PHE 744 Cb 0.36 -2.31 -0.11 0.00 0.35 0.00 0.00 39.48 37.77 2h42 n PHE 744 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2h42 s ASN 745 N 2.38 2.21 0.00 -2.13 3.04 -1.26 -5.02 114.94 114.16 2h42 s ASN 745 Ca 0.98 -0.99 0.05 0.00 0.04 0.00 0.00 52.86 52.94 2h42 s ASN 745 Cb -1.23 0.25 0.26 0.00 -1.54 0.00 0.00 41.25 38.99 2h42 s ASN 745 CO 0.67 -0.39 0.93 0.18 -3.04 0.00 0.00 177.10 175.45 2h42 n LEU 746 N 5.20 0.00 0.07 3.21 4.77 -1.26 -1.44 117.00 127.55 2h42 n LEU 746 Ca -0.02 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2h42 n LEU 746 Cb 0.45 -0.20 0.15 0.00 -2.33 0.00 0.00 43.42 41.48 2h42 n LEU 746 CO 0.02 -0.17 0.31 -0.33 -1.33 0.00 0.00 177.39 175.89 2h42 h GLU 747 N 0.00 0.00 -6.53 3.23 5.08 -1.96 -3.41 114.58 110.99 2h42 h GLU 747 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2h42 h GLU 747 Cb 0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2h42 h GLU 747 CO 0.00 0.00 0.90 0.34 -1.00 0.00 0.00 179.01 179.25 2h42 s ASP 748 N -4.40 6.75 0.39 1.42 3.68 -0.52 -4.91 116.67 119.08 2h42 s ASP 748 Ca 0.05 0.75 0.18 0.00 2.13 0.00 0.00 52.55 55.66 2h42 s ASP 748 Cb 0.13 -2.55 1.09 0.00 -1.45 0.00 0.00 42.92 40.14 2h42 s ASP 748 CO 0.73 -1.10 1.76 1.55 0.13 0.00 0.00 175.17 178.24 2h42 h PRO 749 N 8.81 0.39 -0.57 4.34 0.13 -1.87 0.96 132.00 144.20 2h42 h PRO 749 Ca -0.22 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 2h42 h PRO 749 Cb 1.06 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 2h42 h PRO 749 CO 1.08 0.26 0.07 1.25 -0.23 0.00 0.00 178.00 180.43 2h42 h HIS 750 N 0.40 1.03 -0.07 1.56 -0.00 -1.94 -1.88 115.15 114.25 2h42 h HIS 750 Ca 0.60 -0.15 -0.16 0.00 -0.00 0.00 0.00 60.37 60.66 2h42 h HIS 750 Cb 1.50 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 2h42 h HIS 750 CO -0.00 0.91 -0.66 1.96 -0.00 0.00 0.00 177.93 180.13 2h42 h GLN 751 N 0.86 0.30 -0.34 5.26 4.20 -1.17 -1.62 115.11 122.60 2h42 h GLN 751 Ca 0.17 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2h42 h GLN 751 Cb 0.45 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2h42 h GLN 751 CO 0.02 0.86 0.17 -0.22 -0.67 0.00 0.00 178.83 178.98 2h42 h LYS 752 N 0.21 0.48 -0.45 1.46 1.63 -0.92 0.23 116.57 119.22 2h42 h LYS 752 Ca -0.02 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 2h42 h LYS 752 Cb 1.20 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 2h42 h LYS 752 CO 0.11 0.43 0.16 1.49 -3.45 0.00 0.00 179.45 178.18 2h42 h GLU 753 N 0.41 0.69 -0.32 1.90 4.81 -1.27 0.13 114.58 120.94 2h42 h GLU 753 Ca 0.12 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2h42 h GLU 753 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2h42 h GLU 753 CO -0.02 0.66 0.18 1.25 -0.73 0.00 0.00 179.01 180.35 2h42 h LEU 754 N 0.59 0.39 -0.52 1.64 5.85 -1.01 -1.95 115.31 120.29 2h42 h LEU 754 Ca 0.15 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2h42 h LEU 754 Cb 0.24 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2h42 h LEU 754 CO -0.01 0.34 0.32 0.15 -0.34 0.00 0.00 178.44 178.90 2h42 h PHE 755 N 0.40 0.59 -0.75 1.25 3.57 -0.22 -1.66 116.94 120.13 2h42 h PHE 755 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2h42 h PHE 755 Cb 0.03 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 2h42 h PHE 755 CO -0.04 0.34 0.49 -0.07 -2.23 0.00 0.00 178.31 176.81 2h42 h LEU 756 N 0.63 0.80 -0.47 0.59 3.38 -0.72 0.09 115.31 119.61 2h42 h LEU 756 Ca 0.21 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2h42 h LEU 756 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2h42 h LEU 756 CO -0.09 0.55 0.05 0.00 0.09 0.00 0.00 178.44 179.05 2h42 h ALA 757 N 1.56 0.63 -0.49 1.53 0.00 -0.64 -1.17 119.26 120.67 2h42 h ALA 757 Ca 0.29 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2h42 h ALA 757 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2h42 h ALA 757 CO -0.08 0.39 -0.05 0.52 0.00 0.00 0.00 179.25 180.02 2h42 h MET 758 N 0.67 0.86 -0.51 0.00 2.86 -0.51 -2.02 114.93 116.28 2h42 h MET 758 Ca 0.14 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2h42 h MET 758 Cb 0.43 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2h42 h MET 758 CO 0.01 0.90 -0.05 1.25 1.06 0.00 0.00 176.91 180.08 2h42 h LEU 759 N 0.79 0.93 -0.53 1.22 5.85 -0.87 0.37 115.31 123.06 2h42 h LEU 759 Ca 0.14 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.55 2h42 h LEU 759 Cb 0.55 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2h42 h LEU 759 CO 0.03 1.04 0.33 0.24 -0.34 0.00 0.00 178.44 179.74 2h42 h MET 760 N 0.80 0.65 -0.46 1.25 2.86 -0.91 -1.13 114.93 117.99 2h42 h MET 760 Ca 0.14 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2h42 h MET 760 Cb 0.59 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2h42 h MET 760 CO 0.04 0.43 0.22 1.15 1.06 0.00 0.00 176.91 179.81 2h42 h THR 761 N 0.67 1.19 -0.72 2.22 2.02 -1.05 0.11 112.91 117.35 2h42 h THR 761 Ca 0.21 -0.54 0.08 0.00 0.77 0.00 0.00 66.41 66.94 2h42 h THR 761 Cb -0.02 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 2h42 h THR 761 CO -0.07 0.21 0.38 0.00 0.37 0.00 0.00 175.52 176.40 2h42 h ALA 762 N 1.06 0.99 -0.25 6.16 0.00 -0.33 -0.94 119.26 125.94 2h42 h ALA 762 Ca 0.16 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2h42 h ALA 762 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h42 h ALA 762 CO -0.02 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.63 2h42 h ASP 764 N 0.61 0.59 0.05 0.00 3.58 -0.30 -2.47 116.42 118.48 2h42 h ASP 764 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2h42 h ASP 764 Cb 1.22 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2h42 h ASP 764 CO 0.13 0.42 -0.34 0.18 -2.88 0.00 0.00 179.24 176.76 2h42 n LEU 765 N -4.46 1.84 0.00 2.28 4.77 -0.42 -4.58 117.00 116.43 2h42 n LEU 765 Ca 0.05 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2h42 n LEU 765 Cb 0.07 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2h42 n LEU 765 CO 0.35 0.34 0.46 -1.54 -1.33 0.00 0.00 177.39 175.67 2h42 n SER 766 N -0.02 0.00 0.17 -1.43 3.41 -0.92 -1.09 113.62 113.73 2h42 n SER 766 Ca 0.11 0.28 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 2h42 n SER 766 Cb 0.44 -0.28 0.47 0.00 -0.26 0.00 0.00 64.21 64.59 2h42 n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h42 h ALA 767 N 1.28 1.68 0.00 7.33 0.00 -1.82 -1.67 119.26 126.06 2h42 h ALA 767 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2h42 h ALA 767 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h42 h ALA 767 CO 0.00 0.24 0.00 1.51 0.00 0.00 0.00 179.25 181.00 2h42 n ILE 768 N -4.36 0.80 0.79 0.00 0.13 -0.25 -2.69 119.36 113.78 2h42 n ILE 768 Ca -0.01 0.20 0.08 0.00 -1.10 0.00 0.00 62.75 61.92 2h42 n ILE 768 Cb 0.21 -0.95 -0.05 0.00 -0.84 0.00 0.00 39.64 38.01 2h42 n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2h42 n THR 769 N -1.40 0.00 -1.11 9.51 -2.24 -0.63 -4.28 114.28 114.13 2h42 n THR 769 Ca 0.05 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 2h42 n THR 769 Cb 0.15 1.10 0.11 0.00 -2.10 0.00 0.00 70.33 69.59 2h42 n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2h42 s LYS 770 N -2.34 1.87 0.47 -0.78 -0.14 -1.10 -4.04 119.74 113.69 2h42 s LYS 770 Ca 0.10 1.34 -0.23 0.00 -1.36 0.00 0.00 55.97 55.82 2h42 s LYS 770 Cb 0.13 -1.84 -0.09 0.00 -1.68 0.00 0.00 37.83 34.36 2h42 s LYS 770 CO 0.58 -1.96 1.04 -2.30 -0.76 0.00 0.00 175.35 171.95 2h42 n PRO 771 N -3.66 1.33 -0.23 -1.68 -0.02 -1.26 -4.37 135.00 125.11 2h42 n PRO 771 Ca 0.10 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 2h42 n PRO 771 Cb 0.52 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2h42 n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2h42 n TRP 772 N -0.78 -0.24 -0.32 6.00 -0.00 -1.26 -1.01 117.44 119.83 2h42 n TRP 772 Ca 0.10 0.69 0.12 0.00 -0.00 0.00 0.00 57.50 58.41 2h42 n TRP 772 Cb 0.41 -0.51 0.35 0.00 -0.00 0.00 0.00 31.31 31.56 2h42 n TRP 772 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2h42 h PRO 773 N 0.00 0.73 -0.22 5.87 0.13 -2.00 0.20 132.00 136.71 2h42 h PRO 773 Ca 0.09 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 2h42 h PRO 773 Cb 0.23 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2h42 h PRO 773 CO -0.52 0.48 -0.39 0.82 -0.23 0.00 0.00 178.00 178.16 2h42 h ILE 774 N 0.75 1.32 -0.74 -3.56 2.04 -1.40 -3.00 117.51 112.91 2h42 h ILE 774 Ca 0.51 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2h42 h ILE 774 Cb 0.79 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 2h42 h ILE 774 CO -0.27 0.50 0.36 -0.61 0.00 0.00 0.00 178.15 178.12 2h42 h GLN 775 N 0.35 1.07 0.04 2.37 5.75 -0.26 -1.85 115.11 122.58 2h42 h GLN 775 Ca 0.01 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2h42 h GLN 775 Cb 0.98 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 2h42 h GLN 775 CO 0.09 0.84 -0.24 1.96 -2.65 0.00 0.00 178.83 178.83 2h42 h GLN 776 N 1.04 -0.38 -0.73 1.69 4.20 -0.99 0.20 115.11 120.14 2h42 h GLN 776 Ca 0.26 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.01 2h42 h GLN 776 Cb 0.12 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2h42 h GLN 776 CO -0.03 -0.25 0.47 0.00 -0.67 0.00 0.00 178.83 178.35 2h42 h ARG 777 N -0.40 0.93 -0.47 1.46 3.08 -1.37 -1.42 114.38 116.19 2h42 h ARG 777 Ca 0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2h42 h ARG 777 Cb 0.46 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2h42 h ARG 777 CO -0.19 0.61 -0.00 0.82 -1.07 0.00 0.00 179.97 180.14 2h42 h ILE 778 N 0.95 1.24 -0.50 2.04 2.04 -0.99 -2.04 117.51 120.25 2h42 h ILE 778 Ca 0.28 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 2h42 h ILE 778 Cb -0.06 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2h42 h ILE 778 CO -0.08 0.35 0.12 0.00 0.00 0.00 0.00 178.15 178.54 2h42 h ALA 779 N 1.27 1.28 -0.35 1.87 0.00 0.14 -1.80 119.26 121.68 2h42 h ALA 779 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2h42 h ALA 779 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2h42 h ALA 779 CO 0.02 0.50 0.20 0.93 0.00 0.00 0.00 179.25 180.90 2h42 h GLU 780 N 0.73 0.48 -0.72 0.00 5.08 -0.58 -0.65 114.58 118.91 2h42 h GLU 780 Ca 0.16 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2h42 h GLU 780 Cb 0.27 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2h42 h GLU 780 CO -0.00 0.39 0.47 -0.07 -1.00 0.00 0.00 179.01 178.80 2h42 h LEU 781 N 0.44 0.81 -0.31 1.33 3.38 -1.02 0.16 115.31 120.10 2h42 h LEU 781 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2h42 h LEU 781 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2h42 h LEU 781 CO -0.02 0.58 0.16 0.58 0.09 0.00 0.00 178.44 179.83 2h42 h VAL 782 N 0.96 1.15 -0.61 1.22 2.07 -1.02 -1.97 116.25 118.05 2h42 h VAL 782 Ca 0.27 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2h42 h VAL 782 Cb -0.09 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2h42 h VAL 782 CO -0.07 0.15 0.38 0.00 0.02 0.00 0.00 177.57 178.05 2h42 h ALA 783 N 1.02 0.79 -0.54 1.67 0.00 -0.57 -2.10 119.26 119.53 2h42 h ALA 783 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2h42 h ALA 783 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2h42 h ALA 783 CO -0.01 0.12 0.31 1.15 0.00 0.00 0.00 179.25 180.82 2h42 h THR 784 N 0.74 1.16 -0.02 0.00 2.02 -0.34 0.88 112.91 117.35 2h42 h THR 784 Ca 0.25 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 2h42 h THR 784 Cb 0.02 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2h42 h THR 784 CO -0.10 0.17 -0.74 -0.08 0.37 0.00 0.00 175.52 175.14 2h42 h GLU 785 N 0.74 0.13 -0.00 6.66 4.81 -0.91 -1.78 114.58 124.22 2h42 h GLU 785 Ca 0.19 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2h42 h GLU 785 Cb -0.01 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2h42 h GLU 785 CO -0.04 0.81 -0.00 0.74 -0.73 0.00 0.00 179.01 179.79 2h42 h PHE 786 N 0.08 0.00 -0.84 0.92 0.05 -0.71 -2.51 116.94 113.92 2h42 h PHE 786 Ca -0.02 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.78 2h42 h PHE 786 Cb 1.31 -0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.21 2h42 h PHE 786 CO 0.02 0.46 0.55 0.74 -0.18 0.00 0.00 178.31 179.90 2h42 h PHE 787 N -0.46 1.05 -0.90 -0.55 0.04 -0.84 0.21 116.94 115.48 2h42 h PHE 787 Ca 0.00 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.83 2h42 h PHE 787 Cb 0.46 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2h42 h PHE 787 CO 0.09 0.65 0.59 -0.44 -0.60 0.00 0.00 178.31 178.59 2h42 h ASP 788 N 1.12 0.98 -0.35 2.17 5.19 -1.31 -0.38 116.42 123.84 2h42 h ASP 788 Ca 0.32 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.59 2h42 h ASP 788 Cb -0.10 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 2h42 h ASP 788 CO -0.08 0.67 -0.25 -0.61 -3.12 0.00 0.00 179.24 175.86 2h42 h GLN 789 N 1.13 0.79 -0.81 3.56 4.15 -0.81 -1.48 115.11 121.64 2h42 h GLN 789 Ca 0.36 -0.38 0.08 0.00 0.77 0.00 0.00 58.65 59.48 2h42 h GLN 789 Cb 0.01 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 2h42 h GLN 789 CO -0.10 1.00 0.47 0.78 -1.93 0.00 0.00 178.83 179.05 2h42 h GLY 790 N 0.57 1.23 1.30 2.39 0.00 0.07 0.34 103.07 108.98 2h42 h GLY 790 Ca 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 2h42 h GLY 790 CO 0.07 0.17 -0.42 -0.55 0.00 0.00 0.00 176.54 175.81 2h42 h ASP 791 N 0.83 0.82 -0.50 0.19 3.32 -0.99 -1.89 116.42 118.19 2h42 h ASP 791 Ca 0.37 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2h42 h ASP 791 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2h42 h ASP 791 CO -0.21 1.13 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.29 2h42 h ARG 792 N 0.62 0.92 0.00 3.56 2.43 -0.36 -2.88 114.38 118.67 2h42 h ARG 792 Ca 0.05 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 58.80 2h42 h ARG 792 Cb 0.98 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2h42 h ARG 792 CO 0.09 0.98 -0.47 0.93 -1.51 0.00 0.00 179.97 179.99 2h42 h GLU 793 N 0.78 0.00 -0.72 0.20 5.08 -0.31 -1.38 114.58 118.24 2h42 h GLU 793 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2h42 h GLU 793 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2h42 h GLU 793 CO 0.04 0.47 0.31 -0.09 -1.00 0.00 0.00 179.01 178.73 2h42 h ARG 794 N 0.00 1.06 0.12 2.33 2.43 -1.14 0.46 114.38 119.64 2h42 h ARG 794 Ca -0.00 -0.18 -0.29 0.00 -0.81 0.00 0.00 59.98 58.70 2h42 h ARG 794 Cb 1.06 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2h42 h ARG 794 CO 0.06 0.86 -1.24 0.87 -1.51 0.00 0.00 179.97 179.01 2h42 h LYS 795 N 1.01 0.52 0.00 0.20 1.57 -1.38 -2.30 116.57 116.20 2h42 h LYS 795 Ca 0.24 -0.73 -0.13 0.00 -1.87 0.00 0.00 60.65 58.16 2h42 h LYS 795 Cb 0.18 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2h42 h LYS 795 CO -0.02 1.32 -1.20 0.93 -0.57 0.00 0.00 179.45 179.91 2h42 h GLU 796 N 0.22 0.00 0.00 3.15 5.08 -1.17 -3.39 114.58 118.47 2h42 h GLU 796 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2h42 h GLU 796 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2h42 h GLU 796 CO 0.23 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 2h42 n LEU 797 N -2.91 1.25 -3.95 1.33 4.77 0.16 -5.01 117.00 112.63 2h42 n LEU 797 Ca -0.06 -1.25 -0.31 0.00 -0.03 0.00 0.00 56.01 54.36 2h42 n LEU 797 Cb 0.78 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2h42 n LEU 797 CO 0.42 0.31 0.09 0.59 -1.33 0.00 0.00 177.39 177.47 2h42 n ASN 798 N -0.15 -4.63 -4.16 -1.43 3.02 -0.87 -4.97 115.26 102.06 2h42 n ASN 798 Ca 0.00 -0.80 -0.24 0.00 -0.03 0.00 0.00 54.58 53.51 2h42 n ASN 798 Cb 0.09 -3.71 -0.15 0.00 -0.61 0.00 0.00 39.78 35.41 2h42 n ASN 798 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2h42 s ILE 799 N -3.29 1.32 0.30 2.41 -4.36 -1.25 -5.03 121.20 111.31 2h42 s ILE 799 Ca 0.68 -0.83 -0.27 0.00 -0.26 0.00 0.00 60.65 59.96 2h42 s ILE 799 Cb -0.35 -1.13 -0.10 0.00 1.25 0.00 0.00 42.46 42.14 2h42 s ILE 799 CO 0.84 0.28 0.95 -1.61 0.24 0.00 0.00 174.94 175.63 2h42 s GLU 800 N -0.65 4.67 0.48 0.37 0.41 -1.26 -3.70 118.70 119.03 2h42 s GLU 800 Ca 0.06 1.40 -0.20 0.00 -0.41 0.00 0.00 54.97 55.81 2h42 s GLU 800 Cb -0.07 -2.97 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 2h42 s GLU 800 CO 0.00 0.35 1.02 -1.25 -0.49 0.00 0.00 175.26 174.90 2h42 s PRO 801 N -1.75 3.85 0.83 0.39 0.04 -1.26 -5.04 135.00 132.06 2h42 s PRO 801 Ca 0.47 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2h42 s PRO 801 Cb -0.21 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.31 2h42 s PRO 801 CO 0.27 -0.38 1.11 0.95 0.04 0.00 0.00 177.00 178.99 2h42 s THR 802 N -2.04 2.72 0.34 1.26 -4.23 -1.26 -4.71 115.64 107.72 2h42 s THR 802 Ca 0.66 0.23 0.12 0.00 -1.18 0.00 0.00 61.69 61.53 2h42 s THR 802 Cb -0.15 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.03 2h42 s THR 802 CO 0.20 -0.31 1.74 0.44 -0.54 0.00 0.00 174.62 176.14 2h42 h ASP 803 N -1.21 0.61 -0.89 3.99 3.32 -1.97 -0.51 116.42 119.76 2h42 h ASP 803 Ca -0.48 0.12 0.20 0.00 0.02 0.00 0.00 57.03 56.90 2h42 h ASP 803 Cb 1.29 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.75 2h42 h ASP 803 CO 0.60 0.09 0.43 0.25 -1.72 0.00 0.00 179.24 178.89 2h42 h LEU 804 N 0.52 0.42 -3.26 1.55 5.85 -1.94 -2.01 115.31 116.45 2h42 h LEU 804 Ca 0.64 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 59.43 2h42 h LEU 804 Cb 1.33 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2h42 h LEU 804 CO -0.43 0.07 -0.03 0.23 -0.34 0.00 0.00 178.44 177.94 2h42 n MET 805 N -4.98 2.32 -3.69 1.25 2.81 -0.25 -4.59 117.12 110.00 2h42 n MET 805 Ca 0.21 -2.94 -0.39 0.00 -1.81 0.00 0.00 57.70 52.78 2h42 n MET 805 Cb 0.60 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 31.20 2h42 n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2h42 s ASN 806 N -2.28 5.46 0.61 7.83 2.47 -0.76 -3.95 114.94 124.33 2h42 s ASN 806 Ca 0.42 -0.98 0.31 0.00 0.42 0.00 0.00 52.86 53.03 2h42 s ASN 806 Cb 0.36 -1.94 1.77 0.00 -1.45 0.00 0.00 41.25 39.99 2h42 s ASN 806 CO 0.05 -0.32 2.12 -0.09 -3.72 0.00 0.00 177.10 175.14 2h42 h ARG 807 N 8.31 0.00 -0.00 0.43 2.43 -1.87 0.97 114.38 124.65 2h42 h ARG 807 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2h42 h ARG 807 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2h42 h ARG 807 CO 0.63 0.00 -0.01 0.39 -1.51 0.00 0.00 179.97 179.47 2h42 n GLU 808 N -3.59 1.03 -1.15 0.20 -0.58 -1.26 -3.86 120.64 111.42 2h42 n GLU 808 Ca 0.00 -0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.46 2h42 n GLU 808 Cb 0.29 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.81 2h42 n GLU 808 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2h42 n LYS 809 N -0.84 2.33 0.31 3.49 4.76 0.34 -4.71 118.16 123.83 2h42 n LYS 809 Ca 0.22 -3.44 0.17 0.00 -2.87 0.00 0.00 58.31 52.39 2h42 n LYS 809 Cb 0.17 -1.98 0.99 0.00 -1.84 0.00 0.00 35.03 32.38 2h42 n LYS 809 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2h42 h LYS 810 N 1.39 0.00 0.00 1.97 1.57 -1.73 -1.52 116.57 118.25 2h42 h LYS 810 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2h42 h LYS 810 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 2h42 h LYS 810 CO 0.61 0.01 -0.01 -2.95 -0.57 0.00 0.00 179.45 176.54 2h42 h ASN 811 N 0.00 0.00 -0.08 0.86 -1.07 -1.93 -2.31 115.58 111.05 2h42 h ASN 811 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2h42 h ASN 811 Cb 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 2h42 h ASN 811 CO 0.00 0.01 0.00 0.29 0.07 0.00 0.00 177.43 177.80 2h42 n LYS 812 N -3.14 2.00 0.01 4.14 5.02 -0.57 -4.48 118.16 121.14 2h42 n LYS 812 Ca -0.01 -1.46 -0.11 0.00 -2.02 0.00 0.00 58.31 54.71 2h42 n LYS 812 Cb 0.20 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 2h42 n LYS 812 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h42 h ILE 813 N 3.39 0.93 -0.87 -0.18 2.04 -1.53 -2.37 117.51 118.92 2h42 h ILE 813 Ca 0.00 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2h42 h ILE 813 Cb 0.73 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2h42 h ILE 813 CO 0.00 0.00 0.57 1.55 0.00 0.00 0.00 178.15 180.27 2h42 h PRO 814 N 0.01 1.05 -0.55 2.37 0.13 -1.81 0.17 132.00 133.37 2h42 h PRO 814 Ca 0.04 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 2h42 h PRO 814 Cb 0.05 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 30.93 2h42 h PRO 814 CO -0.08 0.70 -0.04 0.66 -0.23 0.00 0.00 178.00 179.01 2h42 h SER 815 N 1.08 0.97 -0.27 1.44 4.64 -1.78 -1.61 113.55 118.01 2h42 h SER 815 Ca 0.34 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2h42 h SER 815 Cb 0.02 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2h42 h SER 815 CO -0.10 1.04 -0.20 0.24 -0.87 0.00 0.00 176.83 176.93 2h42 h MET 816 N 0.89 0.74 -0.48 4.77 2.86 -0.79 -1.57 114.93 121.36 2h42 h MET 816 Ca 0.16 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2h42 h MET 816 Cb 0.57 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2h42 h MET 816 CO 0.03 0.88 0.14 1.96 1.06 0.00 0.00 176.91 180.99 2h42 h GLN 817 N 0.65 0.75 -0.82 1.72 1.08 -0.35 0.36 115.11 118.49 2h42 h GLN 817 Ca 0.09 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2h42 h GLN 817 Cb 0.70 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 2h42 h GLN 817 CO 0.05 0.72 0.53 0.28 -0.95 0.00 0.00 178.83 179.46 2h42 h VAL 818 N 0.64 1.22 -0.51 -0.54 2.07 -1.12 0.12 116.25 118.13 2h42 h VAL 818 Ca 0.15 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2h42 h VAL 818 Cb 0.29 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2h42 h VAL 818 CO -0.00 0.22 0.06 1.23 0.02 0.00 0.00 177.57 179.10 2h42 h GLY 819 N 1.12 0.93 0.97 2.17 0.00 -0.73 -0.72 103.07 106.81 2h42 h GLY 819 Ca 0.30 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2h42 h GLY 819 CO -0.06 0.59 0.11 -2.75 0.00 0.00 0.00 176.54 174.43 2h42 h PHE 820 N 0.74 0.25 0.07 5.60 3.57 0.26 -1.10 116.94 126.32 2h42 h PHE 820 Ca 0.15 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2h42 h PHE 820 Cb 0.44 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2h42 h PHE 820 CO 0.03 0.20 -0.05 0.82 -2.23 0.00 0.00 178.31 177.08 2h42 h ILE 821 N 0.22 0.89 -0.03 1.41 2.04 -0.64 0.01 117.51 121.42 2h42 h ILE 821 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 2h42 h ILE 821 Cb 0.02 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2h42 h ILE 821 CO -0.01 0.00 0.01 0.44 0.00 0.00 0.00 178.15 178.59 2h42 h ASP 822 N -0.12 0.04 0.85 1.72 3.32 -1.02 -1.18 116.42 120.03 2h42 h ASP 822 Ca -0.00 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 2h42 h ASP 822 Cb 0.11 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2h42 h ASP 822 CO 0.00 0.21 -0.61 0.00 -1.72 0.00 0.00 179.24 177.12 2h42 h ALA 823 N 0.83 0.83 0.00 3.45 0.00 -1.21 -3.42 119.26 119.75 2h42 h ALA 823 Ca 0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2h42 h ALA 823 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2h42 h ALA 823 CO -0.00 0.76 -1.26 -0.89 0.00 0.00 0.00 179.25 177.86 2h42 n ILE 824 N -3.57 0.26 0.02 0.00 2.08 -0.02 -4.96 119.36 113.17 2h42 n ILE 824 Ca -0.00 -0.07 -0.03 0.00 0.56 0.00 0.00 62.75 63.21 2h42 n ILE 824 Cb 0.66 -1.52 -0.01 0.00 -0.75 0.00 0.00 39.64 38.02 2h42 n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2h42 h LEU 826 N -1.03 -1.34 -1.07 0.00 3.38 -1.49 0.73 115.31 114.49 2h42 h LEU 826 Ca -0.02 0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.29 2h42 h LEU 826 Cb 0.13 0.72 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2h42 h LEU 826 CO 0.03 -0.29 0.63 1.56 0.09 0.00 0.00 178.44 180.45 2h42 h GLN 827 N -0.02 1.17 0.19 1.13 4.20 -1.83 0.22 115.11 120.18 2h42 h GLN 827 Ca 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2h42 h GLN 827 Cb 0.61 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2h42 h GLN 827 CO -0.96 0.78 -0.09 1.25 -0.67 0.00 0.00 178.83 179.13 2h42 h LEU 828 N 1.21 -0.21 -1.30 1.46 5.85 -1.03 -0.63 115.31 120.65 2h42 h LEU 828 Ca 0.38 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2h42 h LEU 828 Cb 0.01 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2h42 h LEU 828 CO -0.12 0.05 -0.31 1.88 -0.34 0.00 0.00 178.44 179.59 2h42 h TYR 829 N -0.47 0.00 -0.08 1.25 -1.99 -1.21 -0.68 116.97 113.78 2h42 h TYR 829 Ca -0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 2h42 h TYR 829 Cb 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 2h42 h TYR 829 CO 0.00 0.31 -0.11 1.49 -0.00 0.00 0.00 178.16 179.85 2h42 h GLU 830 N 0.00 0.22 -0.89 4.88 4.81 -0.85 -1.77 114.58 120.97 2h42 h GLU 830 Ca -0.00 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2h42 h GLU 830 Cb 0.67 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 2h42 h GLU 830 CO 0.04 0.68 0.58 0.00 -0.73 0.00 0.00 179.01 179.59 2h42 h ALA 831 N 0.54 1.46 -0.21 2.92 0.00 -0.78 -1.17 119.26 122.02 2h42 h ALA 831 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2h42 h ALA 831 Cb 0.66 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2h42 h ALA 831 CO 0.03 0.43 -0.26 1.25 0.00 0.00 0.00 179.25 180.70 2h42 h LEU 832 N 1.08 0.40 -1.14 0.00 5.85 -1.03 -2.09 115.31 118.38 2h42 h LEU 832 Ca 0.36 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2h42 h LEU 832 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2h42 h LEU 832 CO -0.12 0.65 -0.21 0.74 -0.34 0.00 0.00 178.44 179.16 2h42 h THR 833 N 0.35 1.24 -0.21 1.05 2.02 -0.31 0.22 112.91 117.28 2h42 h THR 833 Ca 0.05 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.01 2h42 h THR 833 Cb 0.64 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2h42 h THR 833 CO 0.05 0.34 -0.39 0.45 0.37 0.00 0.00 175.52 176.33 2h42 h HIS 834 N 0.31 0.56 -0.28 3.16 3.86 -0.87 -2.13 115.15 119.76 2h42 h HIS 834 Ca 0.05 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 2h42 h HIS 834 Cb 0.56 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2h42 h HIS 834 CO 0.01 0.80 0.00 0.28 0.86 0.00 0.00 177.93 179.88 2h42 h VAL 835 N 0.39 1.25 -2.40 2.45 2.07 -0.68 -3.42 116.25 115.91 2h42 h VAL 835 Ca 0.04 -0.91 -0.16 0.00 0.82 0.00 0.00 66.70 66.48 2h42 h VAL 835 Cb 0.86 1.30 -0.30 0.00 -1.52 0.00 0.00 31.29 31.63 2h42 h VAL 835 CO 0.07 0.29 -0.47 -0.55 0.02 0.00 0.00 177.57 176.94 2h42 s SER 836 N -5.99 0.19 0.50 0.57 0.15 -0.02 -5.02 113.70 104.08 2h42 s SER 836 Ca -0.13 0.55 0.22 0.00 0.70 0.00 0.00 55.95 57.29 2h42 s SER 836 Cb 0.08 1.04 1.31 0.00 -1.71 0.00 0.00 66.02 66.73 2h42 s SER 836 CO 0.76 -0.26 1.99 -0.08 1.20 0.00 0.00 173.24 176.84 2h42 h GLU 837 N 8.22 0.10 0.00 5.44 4.81 -1.65 -0.52 114.58 130.98 2h42 h GLU 837 Ca -0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2h42 h GLU 837 Cb 1.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2h42 h GLU 837 CO 0.19 0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 178.28 2h42 n ASP 838 N -4.41 0.00 -0.63 1.04 8.00 -1.26 -1.21 116.55 118.09 2h42 n ASP 838 Ca 0.10 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.88 2h42 n ASP 838 Cb 0.56 -0.33 0.39 0.00 -0.02 0.00 0.00 41.12 41.72 2h42 n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h42 h PHE 840 N 2.73 0.80 -0.50 0.00 3.57 -1.31 -2.20 116.94 120.03 2h42 h PHE 840 Ca 0.00 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.68 2h42 h PHE 840 Cb 0.59 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2h42 h PHE 840 CO 0.07 0.07 0.44 -1.00 -2.23 0.00 0.00 178.31 175.66 2h42 h PRO 841 N 0.54 0.00 -0.11 6.41 0.13 -1.84 -0.27 132.00 136.86 2h42 h PRO 841 Ca 0.55 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.66 2h42 h PRO 841 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2h42 h PRO 841 CO -0.45 0.00 0.01 -0.07 -0.23 0.00 0.00 178.00 177.25 2h42 h LEU 842 N 0.00 0.19 -0.21 1.56 3.38 -1.75 -0.02 115.31 118.45 2h42 h LEU 842 Ca 0.24 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2h42 h LEU 842 Cb 1.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2h42 h LEU 842 CO -0.00 0.44 0.10 0.25 0.09 0.00 0.00 178.44 179.32 2h42 h LEU 843 N -0.07 0.28 -0.22 1.67 5.85 -1.30 -1.26 115.31 120.27 2h42 h LEU 843 Ca 0.03 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2h42 h LEU 843 Cb 0.34 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2h42 h LEU 843 CO 0.00 0.32 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.62 2h42 h ASP 844 N 0.21 -0.15 -0.87 1.25 -0.00 -1.04 -0.02 116.42 115.80 2h42 h ASP 844 Ca 0.07 0.06 0.01 0.00 -0.00 0.00 0.00 57.03 57.17 2h42 h ASP 844 Cb 0.12 0.11 -0.04 0.00 -0.00 0.00 0.00 39.33 39.52 2h42 h ASP 844 CO -0.01 -0.05 0.58 1.23 -0.00 0.00 0.00 179.24 180.99 2h42 h GLY 845 N 0.03 1.23 0.96 -0.78 0.00 -0.85 -1.59 103.07 102.06 2h42 h GLY 845 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2h42 h GLY 845 CO -0.20 0.44 0.17 0.00 0.00 0.00 0.00 176.54 176.95 2h42 h ARG 847 N 0.40 0.37 -0.88 0.00 3.08 -0.53 -1.54 114.38 115.28 2h42 h ARG 847 Ca 0.11 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.23 2h42 h ARG 847 Cb 0.07 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 2h42 h ARG 847 CO -0.02 0.25 0.53 0.87 -1.07 0.00 0.00 179.97 180.54 2h42 h LYS 848 N 0.38 0.87 -0.16 0.04 1.57 -1.14 -0.23 116.57 117.89 2h42 h LYS 848 Ca 0.10 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2h42 h LYS 848 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2h42 h LYS 848 CO -0.02 0.58 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.27 2h42 h ASN 849 N 0.90 0.30 -0.22 0.86 2.35 -0.91 -1.38 115.58 117.47 2h42 h ASN 849 Ca 0.41 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 2h42 h ASN 849 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2h42 h ASN 849 CO -0.23 0.56 0.11 -0.09 -1.65 0.00 0.00 177.43 176.14 2h42 h ARG 850 N 0.27 0.32 -0.80 0.81 2.43 -0.07 0.12 114.38 117.46 2h42 h ARG 850 Ca 0.04 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2h42 h ARG 850 Cb 0.61 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 2h42 h ARG 850 CO 0.04 0.31 0.49 0.37 -1.51 0.00 0.00 179.97 179.68 2h42 h GLN 851 N 0.24 0.90 0.10 0.20 4.15 -0.90 0.19 115.11 119.99 2h42 h GLN 851 Ca 0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2h42 h GLN 851 Cb 0.09 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2h42 h GLN 851 CO -0.01 0.59 -0.05 0.87 -1.93 0.00 0.00 178.83 178.30 2h42 h LYS 852 N 0.92 -0.13 -0.52 1.69 1.79 -0.78 -2.53 116.57 117.00 2h42 h LYS 852 Ca 0.34 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.79 2h42 h LYS 852 Cb 0.11 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2h42 h LYS 852 CO -0.15 0.16 0.21 -1.49 -1.08 0.00 0.00 179.45 177.10 2h42 h TRP 853 N -0.44 0.75 -0.34 -1.35 4.06 -0.51 -2.78 115.95 115.33 2h42 h TRP 853 Ca -0.01 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2h42 h TRP 853 Cb 0.36 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 2h42 h TRP 853 CO 0.02 0.58 0.13 0.37 -3.56 0.00 0.00 178.44 175.99 2h42 h GLN 854 N 0.74 0.51 -0.60 0.49 5.75 -0.61 0.11 115.11 121.51 2h42 h GLN 854 Ca 0.18 -0.10 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 2h42 h GLN 854 Cb 0.15 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.55 2h42 h GLN 854 CO -0.02 0.51 0.24 0.00 -2.65 0.00 0.00 178.83 176.92 2h42 h ALA 855 N 0.97 0.78 -0.27 3.38 0.00 -1.19 -0.48 119.26 122.45 2h42 h ALA 855 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2h42 h ALA 855 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2h42 h ALA 855 CO -0.01 -0.16 -0.28 -0.07 0.00 0.00 0.00 179.25 178.73 2h42 h LEU 856 N 0.44 0.55 -1.18 0.00 3.38 -1.24 -2.58 115.31 114.68 2h42 h LEU 856 Ca 0.30 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2h42 h LEU 856 Cb 0.33 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2h42 h LEU 856 CO -0.28 0.82 0.53 0.00 0.09 0.00 0.00 178.44 179.60 2h42 h ALA 857 N 1.22 1.40 -0.01 1.53 0.00 0.70 0.48 119.26 124.59 2h42 h ALA 857 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h42 h ALA 857 Cb 0.73 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2h42 h ALA 857 CO 0.06 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2h42 n GLU 858 N -4.40 1.07 -3.02 0.00 1.02 -0.34 -4.92 120.64 110.05 2h42 n GLU 858 Ca 0.09 -0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 2h42 n GLU 858 Cb 0.03 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 2h42 n GLU 858 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2h42 n GLN 859 N -0.72 -1.57 0.00 3.49 6.02 0.17 -5.07 117.38 119.69 2h42 n GLN 859 Ca 0.16 1.52 0.01 0.00 -0.01 0.00 0.00 57.00 58.68 2h42 n GLN 859 Cb 0.10 -2.00 0.06 0.00 1.02 0.00 0.00 30.24 29.42 2h42 n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09