#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 0.00 0.00 5.31 5.08 -2.05 -1.73 114.58 121.19 2h42 h GLU 536 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2h42 h GLU 536 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2h42 h GLU 536 CO 0.00 0.72 -0.72 1.15 -1.00 0.00 0.00 179.01 179.15 2h42 h THR 537 N 0.00 1.44 -0.21 1.13 2.02 -2.05 -1.21 112.91 114.03 2h42 h THR 537 Ca -0.07 -2.55 -0.14 0.00 0.77 0.00 0.00 66.41 64.42 2h42 h THR 537 Cb 1.69 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 2h42 h THR 537 CO 0.10 0.71 -0.43 -0.09 0.37 0.00 0.00 175.52 176.18 2h42 h ARG 538 N 0.00 0.66 -0.75 6.66 2.43 -1.99 -2.05 114.38 119.34 2h42 h ARG 538 Ca -0.01 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.67 2h42 h ARG 538 Cb 1.35 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 2h42 h ARG 538 CO 0.09 1.05 0.24 1.49 -1.51 0.00 0.00 179.97 181.33 2h42 h GLU 539 N 0.35 1.17 -0.55 0.20 4.81 -1.18 -1.19 114.58 118.18 2h42 h GLU 539 Ca 0.00 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2h42 h GLU 539 Cb 1.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2h42 h GLU 539 CO 0.10 0.99 0.20 1.25 -0.73 0.00 0.00 179.01 180.81 2h42 h LEU 540 N 1.12 0.77 -0.46 1.64 5.85 -1.15 -2.26 115.31 120.83 2h42 h LEU 540 Ca 0.24 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2h42 h LEU 540 Cb 0.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2h42 h LEU 540 CO -0.01 0.75 0.13 -0.61 -0.34 0.00 0.00 178.44 178.36 2h42 h GLN 541 N 0.75 0.74 -0.15 1.25 4.15 -1.08 0.06 115.11 120.83 2h42 h GLN 541 Ca 0.18 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.45 2h42 h GLN 541 Cb 0.24 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2h42 h GLN 541 CO -0.01 0.72 0.03 0.77 -1.93 0.00 0.00 178.83 178.41 2h42 h SER 542 N 0.62 0.02 -0.32 -0.69 0.02 -1.10 -1.45 113.55 110.66 2h42 h SER 542 Ca 0.15 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2h42 h SER 542 Cb 0.30 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2h42 h SER 542 CO -0.00 0.04 0.11 0.25 -1.14 0.00 0.00 176.83 176.08 2h42 h LEU 543 N 0.10 0.46 -1.12 5.07 5.85 -1.30 -1.86 115.31 122.52 2h42 h LEU 543 Ca 0.07 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2h42 h LEU 543 Cb 0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2h42 h LEU 543 CO -0.08 0.54 0.33 0.00 -0.34 0.00 0.00 178.44 178.89 2h42 h ALA 544 N 0.94 1.32 0.00 1.25 0.00 -0.78 -3.05 119.26 118.94 2h42 h ALA 544 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2h42 h ALA 544 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2h42 h ALA 544 CO -0.00 0.54 -0.85 0.00 0.00 0.00 0.00 179.25 178.93 2h42 h ALA 545 N 1.42 0.56 -2.84 0.00 0.00 -1.25 -3.48 119.26 113.67 2h42 h ALA 545 Ca 0.24 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.62 2h42 h ALA 545 Cb 0.08 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.98 2h42 h ALA 545 CO -0.03 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.71 2h42 s ALA 546 N -3.32 2.62 0.26 0.00 0.00 -0.70 -4.97 121.76 115.65 2h42 s ALA 546 Ca 0.01 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2h42 s ALA 546 Cb 0.10 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2h42 s ALA 546 CO 0.77 -1.13 1.27 0.08 0.00 0.00 0.00 175.76 176.75 2h42 s VAL 547 N -1.55 3.10 -0.60 0.00 1.01 -1.26 -4.97 120.40 116.13 2h42 s VAL 547 Ca 0.75 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 2h42 s VAL 547 Cb -0.31 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2h42 s VAL 547 CO 0.35 0.20 0.69 -0.69 0.00 0.00 0.00 175.10 175.64 2h42 s VAL 548 N -0.52 4.88 0.64 2.92 1.01 -1.26 -5.04 120.40 123.04 2h42 s VAL 548 Ca 0.52 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2h42 s VAL 548 Cb -0.37 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 2h42 s VAL 548 CO 0.43 -1.10 1.21 -0.81 0.00 0.00 0.00 175.10 174.83 2h42 n PRO 549 N 6.16 1.03 -0.78 2.72 -0.04 -1.26 -4.96 135.00 137.87 2h42 n PRO 549 Ca -0.09 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.45 2h42 n PRO 549 Cb 0.42 -2.44 0.15 0.00 -0.04 0.00 0.00 33.50 31.60 2h42 n PRO 549 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2h42 n SER 550 N -1.67 -0.01 -0.13 3.54 3.41 -1.26 -4.80 113.62 112.70 2h42 n SER 550 Ca 0.15 0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 2h42 n SER 550 Cb 0.48 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 62.99 2h42 n SER 550 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h42 h ALA 551 N -1.64 0.51 -0.21 7.33 0.00 -1.93 -1.64 119.26 121.69 2h42 h ALA 551 Ca -0.44 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.35 2h42 h ALA 551 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2h42 h ALA 551 CO 0.41 0.16 -0.07 0.37 0.00 0.00 0.00 179.25 180.12 2h42 h GLN 552 N 0.49 -0.02 -0.87 0.00 4.15 -1.97 0.14 115.11 117.03 2h42 h GLN 552 Ca 0.13 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.59 2h42 h GLN 552 Cb 0.26 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 2h42 h GLN 552 CO -0.00 -0.01 0.55 1.15 -1.93 0.00 0.00 178.83 178.59 2h42 h THR 553 N -0.02 1.11 0.00 2.39 2.02 -1.88 -1.71 112.91 114.82 2h42 h THR 553 Ca 0.10 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2h42 h THR 553 Cb 0.18 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2h42 h THR 553 CO -0.23 0.19 0.00 -0.07 0.37 0.00 0.00 175.52 175.79 2h42 h LEU 554 N 1.05 0.00 1.30 2.58 3.38 -0.69 -3.47 115.31 119.46 2h42 h LEU 554 Ca 0.36 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.97 2h42 h LEU 554 Cb 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 2h42 h LEU 554 CO -0.13 0.00 -0.36 0.29 0.09 0.00 0.00 178.44 178.33 2h42 n LYS 555 N -2.61 -1.26 0.00 1.13 5.02 0.43 -4.88 118.16 115.99 2h42 n LYS 555 Ca 0.04 1.04 0.11 0.00 -2.02 0.00 0.00 58.31 57.47 2h42 n LYS 555 Cb 0.40 -5.34 0.61 0.00 -0.02 0.00 0.00 35.03 30.68 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 -2.93 0.12 1.26 -0.18 -5.35 -1.18 -2.48 119.36 108.62 2h42 n ILE 556 Ca -0.18 0.03 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2h42 n ILE 556 Cb 0.60 -0.69 0.43 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.10 0.00 -3.66 7.28 -1.04 -1.26 -4.13 114.28 110.37 2h42 n THR 557 Ca 0.14 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.69 2h42 n THR 557 Cb 0.11 0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 68.79 2h42 n THR 557 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2h42 s ASP 558 N -2.55 6.62 0.38 8.00 2.15 -1.03 -4.39 116.67 125.84 2h42 s ASP 558 Ca 0.24 0.74 0.18 0.00 0.43 0.00 0.00 52.55 54.14 2h42 s ASP 558 Cb 0.19 -2.16 0.76 0.00 -0.30 0.00 0.00 42.92 41.41 2h42 s ASP 558 CO 0.53 0.32 1.79 -0.26 -0.17 0.00 0.00 175.17 177.37 2h42 h PHE 559 N 4.54 0.00 -0.18 -5.34 -1.00 -1.89 -2.88 116.94 110.19 2h42 h PHE 559 Ca -0.52 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.26 2h42 h PHE 559 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2h42 h PHE 559 CO 0.71 0.36 0.00 0.43 -1.61 0.00 0.00 178.31 178.21 2h42 n SER 560 N -3.68 1.05 -4.61 2.17 7.64 -1.26 -4.88 113.62 110.04 2h42 n SER 560 Ca -0.01 -2.01 -0.42 0.00 1.01 0.00 0.00 58.87 57.43 2h42 n SER 560 Cb 0.46 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.04 1.28 -4.15 1.43 7.35 -1.09 -4.76 117.46 117.56 2h42 n PHE 561 Ca 0.06 0.60 -0.15 0.00 -0.76 0.00 0.00 57.45 57.20 2h42 n PHE 561 Cb 0.17 -2.25 -0.13 0.00 0.35 0.00 0.00 39.48 37.63 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 -0.64 0.95 0.00 -2.13 0.15 -1.26 -5.01 113.70 105.75 2h42 s SER 562 Ca 0.61 -0.40 0.12 0.00 0.70 0.00 0.00 55.95 56.98 2h42 s SER 562 Cb -0.60 -0.02 0.12 0.00 -1.71 0.00 0.00 66.02 63.81 2h42 s SER 562 CO 0.58 -0.08 0.92 -0.90 1.20 0.00 0.00 173.24 174.97 2h42 n ASP 563 N 1.99 2.11 -0.25 5.45 5.75 -1.26 -4.71 116.55 125.64 2h42 n ASP 563 Ca -0.19 -1.56 0.19 0.00 -0.01 0.00 0.00 54.79 53.22 2h42 n ASP 563 Cb 0.56 -0.03 0.50 0.00 -1.03 0.00 0.00 41.12 41.12 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 2.30 0.56 -0.29 2.11 0.04 -2.02 -1.10 116.94 118.55 2h42 h PHE 564 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2h42 h PHE 564 Cb 0.52 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2h42 h PHE 564 CO 0.03 0.15 0.00 0.39 -0.60 0.00 0.00 178.31 178.28 2h42 n GLU 565 N -4.52 1.94 -3.80 1.51 -0.58 -1.26 -4.91 120.64 109.01 2h42 n GLU 565 Ca 0.19 -1.43 -0.31 0.00 -0.42 0.00 0.00 57.16 55.19 2h42 n GLU 565 Cb 0.69 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 2h42 n GLU 565 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2h42 s LEU 566 N -1.37 4.32 0.54 -4.62 1.43 -0.42 -5.10 118.68 113.45 2h42 s LEU 566 Ca 0.32 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2h42 s LEU 566 Cb 0.17 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.30 2h42 s LEU 566 CO 0.25 0.12 0.79 -0.94 0.23 0.00 0.00 176.35 176.80 2h42 s SER 567 N -2.45 5.50 0.20 2.29 1.04 -1.26 -4.91 113.70 114.11 2h42 s SER 567 Ca 0.38 0.31 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 2h42 s SER 567 Cb -0.13 -1.33 0.23 0.00 0.10 0.00 0.00 66.02 64.90 2h42 s SER 567 CO 0.26 -1.02 1.79 0.44 0.98 0.00 0.00 173.24 175.70 2h42 h ASP 568 N 0.06 0.46 -0.68 7.02 3.32 -1.99 -1.30 116.42 123.31 2h42 h ASP 568 Ca -0.45 0.04 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2h42 h ASP 568 Cb 1.27 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 2h42 h ASP 568 CO 0.57 0.29 0.39 0.25 -1.72 0.00 0.00 179.24 179.02 2h42 h LEU 569 N 0.60 0.58 -1.03 1.55 5.85 -1.99 -0.81 115.31 120.06 2h42 h LEU 569 Ca 0.29 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 2h42 h LEU 569 Cb 0.22 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2h42 h LEU 569 CO -0.20 0.38 0.18 -0.33 -0.34 0.00 0.00 178.44 178.12 2h42 h GLU 570 N 0.71 0.87 -0.14 1.25 5.08 -1.71 0.55 114.58 121.20 2h42 h GLU 570 Ca 0.30 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2h42 h GLU 570 Cb 0.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2h42 h GLU 570 CO -0.18 0.76 -0.38 1.79 -1.00 0.00 0.00 179.01 180.00 2h42 h THR 571 N 0.85 1.30 -0.31 1.13 1.35 -0.29 -0.12 112.91 116.80 2h42 h THR 571 Ca 0.19 -1.46 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 2h42 h THR 571 Cb 0.25 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2h42 h THR 571 CO -0.01 0.44 -0.04 0.00 -0.25 0.00 0.00 175.52 175.67 2h42 h ALA 572 N 1.35 0.43 -0.86 6.62 0.00 -0.22 -1.32 119.26 125.26 2h42 h ALA 572 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2h42 h ALA 572 Cb 0.79 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2h42 h ALA 572 CO 0.06 0.22 0.43 -0.07 0.00 0.00 0.00 179.25 179.89 2h42 h LEU 573 N 0.36 1.11 -0.97 0.00 3.38 -0.66 -1.78 115.31 116.76 2h42 h LEU 573 Ca 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2h42 h LEU 573 Cb 0.50 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2h42 h LEU 573 CO 0.02 0.92 0.64 0.00 0.09 0.00 0.00 178.44 180.12 2h42 h THR 575 N 1.31 1.26 -0.72 0.00 2.02 -0.52 -1.59 112.91 114.67 2h42 h THR 575 Ca 0.36 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2h42 h THR 575 Cb -0.15 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2h42 h THR 575 CO -0.08 0.35 0.33 0.40 0.37 0.00 0.00 175.52 176.89 2h42 h ILE 576 N 1.00 1.24 -0.60 3.11 2.04 -0.87 -1.91 117.51 121.52 2h42 h ILE 576 Ca 0.22 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2h42 h ILE 576 Cb 0.33 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2h42 h ILE 576 CO -0.00 0.29 0.39 -0.09 0.00 0.00 0.00 178.15 178.74 2h42 h ARG 577 N 1.01 0.79 0.26 2.37 9.65 -0.84 -0.04 114.38 127.58 2h42 h ARG 577 Ca 0.24 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2h42 h ARG 577 Cb 0.15 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2h42 h ARG 577 CO -0.03 0.53 -0.12 0.52 2.80 0.00 0.00 179.97 183.67 2h42 h MET 578 N 0.81 -0.33 -0.98 0.20 2.86 -0.53 0.26 114.93 117.22 2h42 h MET 578 Ca 0.22 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2h42 h MET 578 Cb -0.09 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 2h42 h MET 578 CO -0.05 -0.12 0.65 0.74 1.06 0.00 0.00 176.91 179.19 2h42 h PHE 579 N -0.49 1.23 0.34 -0.22 -1.00 -1.12 -2.49 116.94 113.18 2h42 h PHE 579 Ca -0.04 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2h42 h PHE 579 Cb 0.37 -0.42 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2h42 h PHE 579 CO -0.02 0.77 -0.16 1.15 -1.61 0.00 0.00 178.31 178.44 2h42 h THR 580 N 1.32 0.68 0.00 -1.55 2.02 -0.75 -1.25 112.91 113.39 2h42 h THR 580 Ca 0.36 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2h42 h THR 580 Cb -0.14 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2h42 h THR 580 CO -0.08 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.35 2h42 n ASP 581 N -5.21 0.00 -1.20 4.18 9.92 0.90 -1.28 116.55 123.87 2h42 n ASP 581 Ca -0.10 0.35 0.11 0.00 -0.53 0.00 0.00 54.79 54.62 2h42 n ASP 581 Cb 0.25 -0.43 0.28 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.43 3.51 -1.27 0.64 4.77 -0.94 -4.94 117.00 117.34 2h42 n LEU 582 Ca 0.06 -1.68 -0.17 0.00 -0.03 0.00 0.00 56.01 54.19 2h42 n LEU 582 Cb 0.18 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2h42 n LEU 582 CO 0.15 0.84 -0.16 0.59 -1.33 0.00 0.00 177.39 177.49 2h42 n ASN 583 N 1.45 -5.24 -0.05 -1.43 3.02 -0.40 -4.89 115.26 107.71 2h42 n ASN 583 Ca 0.22 0.41 -0.16 0.00 -0.03 0.00 0.00 54.58 55.02 2h42 n ASN 583 Cb 0.57 -4.20 -0.06 0.00 -0.61 0.00 0.00 39.78 35.49 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 0.82 -0.38 3.41 3.38 -1.42 -0.62 115.31 120.50 2h42 h LEU 584 Ca -0.34 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.08 2h42 h LEU 584 Cb 1.16 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2h42 h LEU 584 CO 0.50 1.25 0.21 0.58 0.09 0.00 0.00 178.44 181.07 2h42 h VAL 585 N 0.43 1.02 0.02 1.22 2.07 -1.82 -1.05 116.25 118.14 2h42 h VAL 585 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2h42 h VAL 585 Cb 1.16 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2h42 h VAL 585 CO 0.12 0.08 -0.01 -0.61 0.02 0.00 0.00 177.57 177.16 2h42 h GLN 586 N 0.43 -0.03 0.00 1.57 4.15 -1.88 -1.55 115.11 117.81 2h42 h GLN 586 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 2h42 h GLN 586 Cb 0.03 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 2h42 h GLN 586 CO -0.09 0.58 -0.08 -0.91 -1.93 0.00 0.00 178.83 176.40 2h42 h ASN 587 N -0.67 0.00 -0.10 -0.69 2.35 -1.12 -3.12 115.58 112.23 2h42 h ASN 587 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2h42 h ASN 587 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2h42 h ASN 587 CO 0.01 0.08 0.00 0.49 -1.65 0.00 0.00 177.43 176.36 2h42 n PHE 588 N -3.29 0.27 -4.06 1.19 3.72 -0.40 -5.00 117.46 109.89 2h42 n PHE 588 Ca -0.00 -0.82 -0.31 0.00 -0.05 0.00 0.00 57.45 56.27 2h42 n PHE 588 Cb 0.30 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.82 -3.59 -2.32 -1.08 1.13 -0.92 -4.07 117.38 105.71 2h42 n GLN 589 Ca 0.14 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.21 2h42 n GLN 589 Cb 0.60 -4.92 -0.03 0.00 0.11 0.00 0.00 30.24 26.00 2h42 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2h42 s MET 590 N -6.72 4.48 -0.08 -1.09 -1.94 -0.63 -4.70 119.30 108.63 2h42 s MET 590 Ca 0.41 1.96 -0.20 0.00 -1.71 0.00 0.00 55.69 56.15 2h42 s MET 590 Cb -0.22 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 2h42 s MET 590 CO 0.90 -0.08 0.56 0.15 -0.01 0.00 0.00 175.02 176.54 2h42 s LYS 591 N -0.73 4.35 0.14 2.03 1.02 -1.26 -4.91 119.74 120.38 2h42 s LYS 591 Ca 0.51 0.62 -0.28 0.00 0.02 0.00 0.00 55.97 56.84 2h42 s LYS 591 Cb -0.35 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 2h42 s LYS 591 CO 0.41 0.19 1.58 1.25 -0.92 0.00 0.00 175.35 177.86 2h42 h HIS 592 N 6.44 -1.26 -0.62 3.18 -0.00 -1.99 -0.91 115.15 120.00 2h42 h HIS 592 Ca -0.42 0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.10 2h42 h HIS 592 Cb 1.19 0.59 -0.07 0.00 -0.00 0.00 0.00 27.41 29.12 2h42 h HIS 592 CO 0.64 -0.46 0.24 1.49 -0.00 0.00 0.00 177.93 179.84 2h42 h GLU 593 N -0.40 0.41 -0.22 5.26 4.81 -1.95 -0.63 114.58 121.86 2h42 h GLU 593 Ca 0.11 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2h42 h GLU 593 Cb 0.60 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2h42 h GLU 593 CO -0.50 0.27 0.13 0.28 -0.73 0.00 0.00 179.01 178.46 2h42 h VAL 594 N 0.42 1.09 -0.76 0.32 2.07 -1.65 0.18 116.25 117.91 2h42 h VAL 594 Ca 0.31 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2h42 h VAL 594 Cb 0.39 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2h42 h VAL 594 CO -0.31 0.09 0.46 0.25 0.02 0.00 0.00 177.57 178.08 2h42 h LEU 595 N 0.26 0.72 -0.31 2.57 5.85 -0.53 0.17 115.31 124.03 2h42 h LEU 595 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2h42 h LEU 595 Cb 0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2h42 h LEU 595 CO -0.01 0.47 0.14 0.00 -0.34 0.00 0.00 178.44 178.70 2h42 h ARG 597 N 0.36 1.13 0.02 0.00 2.43 -0.33 -1.34 114.38 116.64 2h42 h ARG 597 Ca 0.11 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2h42 h ARG 597 Cb 0.13 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2h42 h ARG 597 CO -0.01 0.91 -0.01 2.35 -1.51 0.00 0.00 179.97 181.70 2h42 h TRP 598 N 1.09 -0.02 -0.77 2.20 7.01 -0.38 -0.40 115.95 124.68 2h42 h TRP 598 Ca 0.25 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.32 2h42 h TRP 598 Cb 0.20 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.21 2h42 h TRP 598 CO 0.02 0.06 0.45 0.82 -2.79 0.00 0.00 178.44 176.99 2h42 h ILE 599 N -0.10 0.98 -0.18 2.65 2.04 -0.69 -0.21 117.51 122.00 2h42 h ILE 599 Ca -0.00 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 2h42 h ILE 599 Cb 0.09 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2h42 h ILE 599 CO 0.00 0.15 -0.35 -0.07 0.00 0.00 0.00 178.15 177.88 2h42 h LEU 600 N 0.81 0.40 -0.51 1.44 3.38 -0.98 -1.20 115.31 118.65 2h42 h LEU 600 Ca 0.35 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2h42 h LEU 600 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2h42 h LEU 600 CO -0.19 0.72 -0.12 0.28 0.09 0.00 0.00 178.44 179.22 2h42 h SER 601 N 0.33 0.98 -0.05 -0.43 0.02 -0.24 -0.02 113.55 114.14 2h42 h SER 601 Ca 0.04 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2h42 h SER 601 Cb 0.77 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2h42 h SER 601 CO 0.06 1.11 0.01 0.58 -1.14 0.00 0.00 176.83 177.45 2h42 h VAL 602 N 0.84 1.21 -1.00 2.27 2.07 -0.84 -1.80 116.25 118.99 2h42 h VAL 602 Ca 0.13 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2h42 h VAL 602 Cb 0.68 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2h42 h VAL 602 CO 0.05 0.17 0.65 0.50 0.02 0.00 0.00 177.57 178.96 2h42 h LYS 603 N -0.17 1.16 0.00 1.57 3.64 -1.13 -2.24 116.57 119.39 2h42 h LYS 603 Ca 0.01 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 2h42 h LYS 603 Cb 0.27 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2h42 h LYS 603 CO 0.00 0.77 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.33 2h42 h LYS 604 N 1.19 0.00 -0.48 1.90 3.64 -0.81 -3.00 116.57 119.01 2h42 h LYS 604 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2h42 h LYS 604 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2h42 h LYS 604 CO -0.16 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.51 2h42 n ASN 605 N -3.79 1.19 -4.57 4.20 3.02 -0.69 -4.74 115.26 109.87 2h42 n ASN 605 Ca -0.01 -2.07 -0.30 0.00 -0.03 0.00 0.00 54.58 52.16 2h42 n ASN 605 Cb 0.47 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.60 2.76 -0.33 3.10 1.51 -1.14 -1.14 117.35 120.52 2h42 s TYR 606 Ca 0.09 -0.14 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 2h42 s TYR 606 Cb 0.06 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2h42 s TYR 606 CO 0.04 0.40 0.36 1.03 -1.11 0.00 0.00 175.55 176.27 2h42 s ARG 607 N -1.98 3.66 0.59 -0.62 0.52 -1.26 -4.85 118.95 115.02 2h42 s ARG 607 Ca 0.20 -0.33 0.37 0.00 -0.52 0.00 0.00 55.73 55.45 2h42 s ARG 607 Cb -0.11 -3.77 1.80 0.00 0.52 0.00 0.00 34.95 33.39 2h42 s ARG 607 CO 0.12 -0.47 2.16 -0.22 0.02 0.00 0.00 175.30 176.91 2h42 h LYS 608 N 8.41 0.00 0.00 3.54 3.64 -1.94 -1.80 116.57 128.43 2h42 h LYS 608 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2h42 h LYS 608 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2h42 h LYS 608 CO 0.68 0.03 0.00 0.27 -2.27 0.00 0.00 179.45 178.15 2h42 n ASN 609 N -3.20 0.00 -4.64 4.20 6.94 -1.26 -4.62 115.26 112.68 2h42 n ASN 609 Ca -0.01 0.17 -0.41 0.00 -0.02 0.00 0.00 54.58 54.31 2h42 n ASN 609 Cb 0.20 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.19 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 -2.74 4.98 0.29 3.53 1.01 -0.68 -4.97 120.40 121.82 2h42 s VAL 610 Ca 0.18 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2h42 s VAL 610 Cb 0.16 -3.96 0.29 0.00 0.00 0.00 0.00 36.38 32.87 2h42 s VAL 610 CO 0.38 0.05 1.79 0.00 0.00 0.00 0.00 175.10 177.32 2h42 h ALA 611 N 7.72 1.58 0.00 5.51 0.00 -1.87 -3.40 119.26 128.80 2h42 h ALA 611 Ca -0.28 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2h42 h ALA 611 Cb 1.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2h42 h ALA 611 CO 0.78 0.02 -0.61 0.98 0.00 0.00 0.00 179.25 180.42 2h42 n TYR 612 N -4.74 -0.08 -1.67 0.00 9.36 -1.26 -4.83 117.16 113.94 2h42 n TYR 612 Ca 0.21 0.01 -0.40 0.00 3.32 0.00 0.00 57.90 61.05 2h42 n TYR 612 Cb 0.50 0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 39.22 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 -3.13 2.87 -3.93 2.98 8.25 -1.26 -4.23 115.22 116.76 2h42 n HIS 613 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 57.72 55.25 2h42 n HIS 613 Cb 0.31 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.19 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 8.48 0.94 -0.31 0.41 0.23 -1.26 -4.66 115.26 119.09 2h42 n ASN 614 Ca 0.49 -0.93 0.05 0.00 -0.53 0.00 0.00 54.58 53.66 2h42 n ASN 614 Cb 0.42 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.37 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 0.93 1.04 -0.31 -2.53 2.91 -1.86 -2.29 115.95 113.84 2h42 h TRP 615 Ca 0.00 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 2h42 h TRP 615 Cb 0.00 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.29 2h42 h TRP 615 CO 0.00 0.52 0.07 0.00 -1.03 0.00 0.00 178.44 178.00 2h42 h ARG 616 N 1.00 0.44 -0.18 2.65 2.47 -1.96 0.20 114.38 119.01 2h42 h ARG 616 Ca 0.40 -0.07 -0.20 0.00 -1.26 0.00 0.00 59.98 58.86 2h42 h ARG 616 Cb 0.26 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2h42 h ARG 616 CO -0.16 0.42 -0.68 1.25 0.56 0.00 0.00 179.97 181.36 2h42 h HIS 617 N 0.44 0.91 -0.47 3.04 2.76 -1.59 0.64 115.15 120.88 2h42 h HIS 617 Ca 0.10 -0.37 -0.06 0.00 -2.20 0.00 0.00 60.37 57.85 2h42 h HIS 617 Cb 0.18 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2h42 h HIS 617 CO 0.01 1.17 0.05 0.00 -1.30 0.00 0.00 177.93 177.86 2h42 h ALA 618 N 0.74 0.62 -0.42 5.26 0.00 -1.15 -0.08 119.26 124.22 2h42 h ALA 618 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2h42 h ALA 618 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2h42 h ALA 618 CO 0.13 0.37 0.19 0.35 0.00 0.00 0.00 179.25 180.30 2h42 h PHE 619 N 0.65 0.61 -0.71 0.00 3.57 -0.51 -1.94 116.94 118.61 2h42 h PHE 619 Ca 0.14 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2h42 h PHE 619 Cb 0.42 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2h42 h PHE 619 CO 0.03 0.51 0.29 -0.91 -2.23 0.00 0.00 178.31 176.01 2h42 h ASN 620 N 0.54 0.95 -0.62 0.41 2.35 -0.66 -0.66 115.58 117.88 2h42 h ASN 620 Ca 0.14 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2h42 h ASN 620 Cb 0.14 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2h42 h ASN 620 CO -0.02 0.83 0.36 0.74 -1.65 0.00 0.00 177.43 177.69 2h42 h THR 621 N 1.02 1.19 -0.54 2.81 2.02 -0.66 0.01 112.91 118.76 2h42 h THR 621 Ca 0.24 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 2h42 h THR 621 Cb 0.17 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2h42 h THR 621 CO -0.02 0.20 -0.04 0.00 0.37 0.00 0.00 175.52 176.03 2h42 h ALA 622 N 1.17 0.92 -0.47 6.16 0.00 -0.93 -1.14 119.26 124.98 2h42 h ALA 622 Ca 0.22 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2h42 h ALA 622 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2h42 h ALA 622 CO -0.04 0.64 0.06 0.37 0.00 0.00 0.00 179.25 180.28 2h42 h GLN 623 N 0.87 0.78 -0.14 0.00 -0.00 -0.67 0.16 115.11 116.10 2h42 h GLN 623 Ca 0.15 -0.22 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 2h42 h GLN 623 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.94 2h42 h GLN 623 CO 0.03 0.80 -0.18 0.00 0.00 0.00 0.00 178.83 179.49 2h42 h MET 625 N 0.22 0.24 -0.30 0.00 1.85 -0.61 0.89 114.93 117.21 2h42 h MET 625 Ca 0.04 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 59.07 2h42 h MET 625 Cb 0.44 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 2h42 h MET 625 CO 0.03 0.46 0.16 0.35 -0.40 0.00 0.00 176.91 177.51 2h42 h PHE 626 N -0.02 0.31 -0.77 1.39 3.57 0.11 -0.83 116.94 120.70 2h42 h PHE 626 Ca 0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2h42 h PHE 626 Cb 0.35 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2h42 h PHE 626 CO 0.03 0.18 0.47 0.00 -2.23 0.00 0.00 178.31 176.75 2h42 h ALA 627 N 1.14 0.98 -0.71 2.41 0.00 -0.03 0.82 119.26 123.88 2h42 h ALA 627 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2h42 h ALA 627 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2h42 h ALA 627 CO -0.07 0.45 0.33 0.00 0.00 0.00 0.00 179.25 179.96 2h42 h ALA 628 N 1.25 0.91 -0.27 0.00 0.00 -0.39 0.27 119.26 121.03 2h42 h ALA 628 Ca 0.28 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2h42 h ALA 628 Cb -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2h42 h ALA 628 CO -0.05 0.48 -0.24 -0.07 0.00 0.00 0.00 179.25 179.38 2h42 h LEU 629 N 0.99 0.68 0.00 0.00 3.38 -0.73 -2.53 115.31 117.09 2h42 h LEU 629 Ca 0.24 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2h42 h LEU 629 Cb 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2h42 h LEU 629 CO -0.03 1.00 0.00 0.29 0.09 0.00 0.00 178.44 179.79 2h42 n LYS 630 N -4.33 0.00 -0.21 1.13 4.76 0.24 -1.93 118.16 117.82 2h42 n LYS 630 Ca -0.04 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.48 2h42 n LYS 630 Cb 0.44 -0.37 0.36 0.00 -1.84 0.00 0.00 35.03 33.61 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 1.73 0.00 7.82 0.00 -1.36 -1.10 119.26 124.35 2h42 h ALA 631 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h42 h ALA 631 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2h42 h ALA 631 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2h42 n GLY 632 N -1.44 -1.48 2.52 0.00 0.00 -0.06 -4.80 105.19 99.91 2h42 n GLY 632 Ca 0.12 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.72 -1.22 0.18 1.61 5.02 -0.42 -4.42 118.16 117.18 2h42 n LYS 633 Ca 0.06 1.03 0.13 0.00 -2.02 0.00 0.00 58.31 57.51 2h42 n LYS 633 Cb 0.34 -5.24 0.38 0.00 -0.02 0.00 0.00 35.03 30.49 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 0.00 0.00 -0.92 -0.18 2.04 -1.38 -3.27 117.51 113.80 2h42 h ILE 634 Ca -0.31 -0.63 0.14 0.00 1.00 0.00 0.00 64.86 65.07 2h42 h ILE 634 Cb 1.07 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 2h42 h ILE 634 CO 0.46 0.00 0.59 -0.61 0.00 0.00 0.00 178.15 178.58 2h42 h GLN 635 N 0.00 0.72 -0.00 2.37 4.15 -1.62 -0.64 115.11 120.08 2h42 h GLN 635 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2h42 h GLN 635 Cb 0.74 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2h42 h GLN 635 CO 0.00 0.47 -0.01 0.27 -1.93 0.00 0.00 178.83 177.63 2h42 n ASN 636 N -4.58 0.06 0.03 -0.69 2.04 -1.23 -2.99 115.26 107.90 2h42 n ASN 636 Ca 0.18 -0.43 0.11 0.00 -0.44 0.00 0.00 54.58 54.00 2h42 n ASN 636 Cb 0.46 -0.19 -0.03 0.00 -2.53 0.00 0.00 39.78 37.50 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 -1.16 0.42 -4.19 -3.83 5.02 -0.26 -4.97 118.16 109.19 2h42 n LYS 637 Ca 0.17 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 2h42 n LYS 637 Cb 0.21 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 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 -4.31 3.14 0.54 -0.35 1.43 -1.16 -5.05 118.68 112.91 2h42 s LEU 638 Ca 0.00 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 2h42 s LEU 638 Cb 0.13 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2h42 s LEU 638 CO 0.82 -0.30 0.82 0.42 0.23 0.00 0.00 176.35 178.34 2h42 s THR 639 N -2.48 3.87 0.24 5.49 -4.23 -1.26 -4.93 115.64 112.34 2h42 s THR 639 Ca 0.37 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 2h42 s THR 639 Cb -0.01 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.52 2h42 s THR 639 CO 0.21 -0.46 1.83 0.44 -0.54 0.00 0.00 174.62 176.11 2h42 h ASP 640 N 0.04 1.07 -0.31 3.99 3.32 -1.98 -1.25 116.42 121.30 2h42 h ASP 640 Ca -0.46 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 2h42 h ASP 640 Cb 1.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2h42 h ASP 640 CO 0.60 0.90 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.94 2h42 h LEU 641 N 1.16 0.62 -0.33 1.55 3.38 -1.99 0.11 115.31 119.82 2h42 h LEU 641 Ca 0.28 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 2h42 h LEU 641 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2h42 h LEU 641 CO -0.04 0.69 -0.70 -0.33 0.09 0.00 0.00 178.44 178.16 2h42 h GLU 642 N 0.62 0.62 -0.53 1.13 5.08 -1.84 -1.67 114.58 117.98 2h42 h GLU 642 Ca 0.13 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2h42 h GLU 642 Cb 0.39 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2h42 h GLU 642 CO 0.01 1.09 0.04 0.82 -1.00 0.00 0.00 179.01 179.98 2h42 h ILE 643 N 0.44 1.26 -0.19 3.13 2.04 -0.84 -0.12 117.51 123.22 2h42 h ILE 643 Ca -0.03 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.82 2h42 h ILE 643 Cb 1.29 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2h42 h ILE 643 CO 0.13 0.37 0.08 0.25 0.00 0.00 0.00 178.15 178.98 2h42 h LEU 644 N 0.78 0.11 -0.55 1.44 5.85 -0.69 -1.79 115.31 120.46 2h42 h LEU 644 Ca 0.15 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2h42 h LEU 644 Cb 0.47 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2h42 h LEU 644 CO 0.02 0.09 0.28 0.00 -0.34 0.00 0.00 178.44 178.49 2h42 h ALA 645 N 1.11 0.71 -0.35 1.25 0.00 -1.09 -2.43 119.26 118.46 2h42 h ALA 645 Ca 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2h42 h ALA 645 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2h42 h ALA 645 CO -0.07 0.25 0.20 -0.07 0.00 0.00 0.00 179.25 179.56 2h42 h LEU 646 N 0.74 0.32 -0.27 0.00 3.38 -0.73 0.86 115.31 119.62 2h42 h LEU 646 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2h42 h LEU 646 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2h42 h LEU 646 CO -0.03 0.23 0.13 0.25 0.09 0.00 0.00 178.44 179.11 2h42 h LEU 647 N 0.41 0.35 -0.62 1.67 5.85 -1.19 0.32 115.31 122.10 2h42 h LEU 647 Ca 0.14 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2h42 h LEU 647 Cb 0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2h42 h LEU 647 CO -0.07 0.39 0.33 0.40 -0.34 0.00 0.00 178.44 179.15 2h42 h ILE 648 N 0.30 1.20 -0.42 4.05 2.04 -1.33 -1.91 117.51 121.44 2h42 h ILE 648 Ca 0.09 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2h42 h ILE 648 Cb 0.13 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2h42 h ILE 648 CO -0.01 0.23 0.19 0.00 0.00 0.00 0.00 178.15 178.56 2h42 h ALA 649 N 1.15 0.54 -0.89 1.87 0.00 -0.51 -0.16 119.26 121.26 2h42 h ALA 649 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2h42 h ALA 649 Cb 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2h42 h ALA 649 CO -0.03 0.12 0.58 0.00 0.00 0.00 0.00 179.25 179.92 2h42 h ALA 650 N 1.04 1.46 0.00 0.00 0.00 -0.11 0.20 119.26 121.85 2h42 h ALA 650 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2h42 h ALA 650 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2h42 h ALA 650 CO -0.02 0.44 -0.72 -0.07 0.00 0.00 0.00 179.25 178.88 2h42 h LEU 651 N 1.09 0.00 -0.52 0.00 3.38 -1.04 -3.37 115.31 114.84 2h42 h LEU 651 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 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 -0.12 0.72 -0.51 -1.20 0.09 0.00 0.00 178.44 177.43 2h42 n SER 652 N -3.32 1.28 0.26 -0.43 7.64 -0.10 -4.73 113.62 114.22 2h42 n SER 652 Ca 0.01 -1.14 0.15 0.00 1.01 0.00 0.00 58.87 58.90 2h42 n SER 652 Cb 0.81 0.69 0.82 0.00 -1.01 0.00 0.00 64.21 65.52 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 1.08 0.00 0.00 1.43 2.07 -0.77 -2.58 115.15 116.38 2h42 h HIS 653 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2h42 h HIS 653 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 2h42 h HIS 653 CO 0.00 0.00 -0.01 -0.25 -3.07 0.00 0.00 177.93 174.60 2h42 n ASP 654 N -2.65 1.71 -4.51 3.10 8.00 -1.26 -4.83 116.55 116.11 2h42 n ASP 654 Ca -0.02 -1.96 -0.55 0.00 0.71 0.00 0.00 54.79 52.97 2h42 n ASP 654 Cb 0.17 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.51 0.27 -0.36 0.64 4.77 -0.97 -1.28 117.00 119.55 2h42 n LEU 655 Ca 0.02 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 57.10 2h42 n LEU 655 Cb 0.33 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 2h42 n LEU 655 CO 0.00 -1.85 -0.04 -0.67 -1.33 0.00 0.00 177.39 173.49 2h42 n ASP 656 N 1.80 -4.14 -4.76 -1.43 2.03 -0.29 -4.51 116.55 105.25 2h42 n ASP 656 Ca 0.19 0.12 -0.41 0.00 0.52 0.00 0.00 54.79 55.20 2h42 n ASP 656 Cb 0.14 -2.05 -0.01 0.00 -0.72 0.00 0.00 41.12 38.48 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 -1.98 2.68 -0.46 -0.67 2.46 -0.41 -4.92 115.29 111.99 2h42 s HIS 657 Ca 0.00 0.90 0.13 0.00 0.47 0.00 0.00 55.06 56.56 2h42 s HIS 657 Cb 0.00 -4.07 0.39 0.00 -0.13 0.00 0.00 32.58 28.78 2h42 s HIS 657 CO 0.00 -3.44 1.31 0.54 -2.47 0.00 0.00 174.74 170.68 2h42 n ARG 658 N 1.60 2.81 -0.88 2.88 1.74 -1.26 -4.39 116.66 119.16 2h42 n ARG 658 Ca 0.06 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 2h42 n ARG 658 Cb 0.38 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2h42 n ARG 658 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h42 n GLY 659 N -0.15 0.52 3.59 -0.13 0.00 -1.26 -4.97 105.19 102.78 2h42 n GLY 659 Ca 0.16 -0.87 -0.36 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 4.89 0.26 1.61 1.01 -1.26 -4.72 120.40 120.19 2h42 s VAL 660 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2h42 s VAL 660 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2h42 s VAL 660 CO 0.00 0.37 -0.10 0.20 0.00 0.00 0.00 175.10 175.57 2h42 s ASN 661 N 1.08 2.76 0.23 3.32 0.01 -1.26 -5.13 114.94 115.96 2h42 s ASN 661 Ca 0.06 -1.12 -0.27 0.00 -0.71 0.00 0.00 52.86 50.81 2h42 s ASN 661 Cb -0.14 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.27 2h42 s ASN 661 CO 0.04 -0.26 0.87 0.20 -1.51 0.00 0.00 177.10 176.44 2h42 s ASN 662 N -3.41 7.46 0.47 -1.22 0.01 -1.26 -4.93 114.94 112.06 2h42 s ASN 662 Ca 0.27 1.79 0.27 0.00 -0.71 0.00 0.00 52.86 54.48 2h42 s ASN 662 Cb 0.02 -2.55 0.75 0.00 0.41 0.00 0.00 41.25 39.87 2h42 s ASN 662 CO 0.10 0.12 1.76 -1.28 -1.51 0.00 0.00 177.10 176.29 2h42 h SER 663 N 3.96 0.00 -5.03 -1.22 0.87 -2.04 -3.46 113.55 106.63 2h42 h SER 663 Ca -0.46 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2h42 h SER 663 Cb 1.20 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.05 2h42 h SER 663 CO 0.67 0.00 0.12 -0.72 -0.53 0.00 0.00 176.83 176.37 2h42 s TYR 664 N -3.38 -0.33 0.29 2.24 -0.85 -1.26 -5.00 117.35 109.06 2h42 s TYR 664 Ca 0.05 0.04 -0.29 0.00 -0.52 0.00 0.00 57.07 56.35 2h42 s TYR 664 Cb 0.07 0.49 -0.10 0.00 0.38 0.00 0.00 41.96 42.80 2h42 s TYR 664 CO 0.62 -0.90 1.34 0.42 -1.52 0.00 0.00 175.55 175.51 2h42 s ILE 665 N -3.81 2.76 -0.35 -3.49 1.01 -1.26 -5.01 121.20 111.05 2h42 s ILE 665 Ca 0.05 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 2h42 s ILE 665 Cb -0.01 -3.45 0.13 0.00 0.01 0.00 0.00 42.46 39.13 2h42 s ILE 665 CO -0.08 0.15 0.18 -1.10 0.00 0.00 0.00 174.94 174.09 2h42 s GLN 666 N -1.19 0.61 0.54 2.79 -0.21 -1.26 -5.16 119.66 115.77 2h42 s GLN 666 Ca 0.53 -1.23 -0.15 0.00 0.02 0.00 0.00 55.36 54.53 2h42 s GLN 666 Cb -0.40 -1.53 -0.07 0.00 1.00 0.00 0.00 33.01 32.01 2h42 s GLN 666 CO 0.48 -1.13 0.99 0.50 -2.12 0.00 0.00 175.29 174.02 2h42 s ARG 667 N 1.25 3.86 0.00 2.91 3.52 -1.26 -4.87 118.95 124.36 2h42 s ARG 667 Ca 0.15 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.64 2h42 s ARG 667 Cb -0.21 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2h42 s ARG 667 CO -0.11 -0.34 0.00 0.00 -0.81 0.00 0.00 175.30 174.04 2h42 n HIS 678 N -2.00 0.00 -3.15 0.00 1.44 -1.26 -4.99 115.22 105.26 2h42 n HIS 678 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 2h42 n HIS 678 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 2h42 n HIS 678 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2h42 n SER 679 N -1.36 -5.17 -0.23 4.39 7.64 -1.26 -4.87 113.62 112.75 2h42 n SER 679 Ca 0.00 -0.34 0.02 0.00 1.01 0.00 0.00 58.87 59.56 2h42 n SER 679 Cb 0.00 -3.85 0.14 0.00 -1.01 0.00 0.00 64.21 59.49 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 -1.69 0.78 -0.43 0.44 2.10 -2.00 -1.28 117.51 115.43 2h42 h ILE 680 Ca -0.41 -0.17 -0.10 0.00 1.08 0.00 0.00 64.86 65.25 2h42 h ILE 680 Cb 1.27 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 2h42 h ILE 680 CO 0.42 0.09 -0.15 0.24 -1.08 0.00 0.00 178.15 177.67 2h42 h MET 681 N 0.50 0.80 -0.22 2.19 2.86 -2.00 -2.50 114.93 116.57 2h42 h MET 681 Ca 0.35 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2h42 h MET 681 Cb 0.43 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2h42 h MET 681 CO -0.31 0.91 -0.25 0.93 1.06 0.00 0.00 176.91 179.24 2h42 h GLU 682 N 0.72 0.41 -0.39 1.72 3.07 -1.72 -0.34 114.58 118.05 2h42 h GLU 682 Ca 0.11 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 2h42 h GLU 682 Cb 0.65 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2h42 h GLU 682 CO 0.05 0.64 -0.06 0.45 -1.40 0.00 0.00 179.01 178.69 2h42 h HIS 683 N 0.37 0.71 -0.49 4.33 3.86 -1.06 -0.76 115.15 122.11 2h42 h HIS 683 Ca 0.06 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 2h42 h HIS 683 Cb 0.65 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2h42 h HIS 683 CO 0.02 0.71 -0.08 1.25 0.86 0.00 0.00 177.93 180.68 2h42 h HIS 684 N 0.61 1.02 -0.71 2.45 -0.00 -0.92 0.07 115.15 117.67 2h42 h HIS 684 Ca 0.12 -0.21 -0.02 0.00 -0.00 0.00 0.00 60.37 60.26 2h42 h HIS 684 Cb 0.48 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 2h42 h HIS 684 CO 0.02 0.98 0.35 0.45 -0.00 0.00 0.00 177.93 179.73 2h42 h HIS 685 N 0.77 1.00 -0.26 5.26 -0.00 -0.50 -0.59 115.15 120.83 2h42 h HIS 685 Ca 0.13 -0.04 -0.15 0.00 -0.00 0.00 0.00 60.37 60.31 2h42 h HIS 685 Cb 0.63 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2h42 h HIS 685 CO 0.05 0.72 -0.45 0.35 -0.00 0.00 0.00 177.93 178.60 2h42 h PHE 686 N 1.00 0.81 -0.85 2.45 3.57 -0.89 -1.72 116.94 121.31 2h42 h PHE 686 Ca 0.25 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2h42 h PHE 686 Cb 0.09 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2h42 h PHE 686 CO 0.01 0.99 0.44 -0.44 -2.23 0.00 0.00 178.31 177.08 2h42 h ASP 687 N 0.54 1.09 -0.57 0.41 3.32 -0.17 0.13 116.42 121.16 2h42 h ASP 687 Ca 0.03 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2h42 h ASP 687 Cb 0.99 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 2h42 h ASP 687 CO 0.09 0.90 0.10 1.56 -1.72 0.00 0.00 179.24 180.17 2h42 h GLN 688 N 1.20 0.97 -0.17 3.56 1.08 -0.92 0.15 115.11 120.98 2h42 h GLN 688 Ca 0.30 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2h42 h GLN 688 Cb 0.08 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2h42 h GLN 688 CO -0.04 0.90 0.10 0.00 -0.95 0.00 0.00 178.83 178.83 2h42 h LEU 690 N 0.18 0.82 -0.95 0.00 5.85 -0.68 -2.49 115.31 118.04 2h42 h LEU 690 Ca 0.06 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.68 2h42 h LEU 690 Cb 0.05 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.79 2h42 h LEU 690 CO -0.01 0.81 0.59 -0.03 -0.34 0.00 0.00 178.44 179.46 2h42 h MET 691 N 0.79 0.94 -0.08 1.25 4.05 -0.46 -0.81 114.93 120.61 2h42 h MET 691 Ca 0.18 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 2h42 h MET 691 Cb 0.28 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2h42 h MET 691 CO -0.01 0.62 -0.07 0.82 0.23 0.00 0.00 176.91 178.50 2h42 h ILE 692 N 0.97 1.36 -0.95 1.77 2.04 -1.18 -2.57 117.51 118.95 2h42 h ILE 692 Ca 0.46 -1.21 0.10 0.00 1.00 0.00 0.00 64.86 65.20 2h42 h ILE 692 Cb 0.40 2.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 2h42 h ILE 692 CO -0.24 0.34 0.61 -0.07 0.00 0.00 0.00 178.15 178.78 2h42 h LEU 693 N -0.23 0.88 -0.20 1.44 3.38 -0.98 0.26 115.31 119.86 2h42 h LEU 693 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2h42 h LEU 693 Cb 0.58 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2h42 h LEU 693 CO 0.02 0.51 0.00 0.59 0.09 0.00 0.00 178.44 179.65 2h42 n ASN 694 N -4.55 0.31 -4.75 -0.43 3.02 -0.35 -3.77 115.26 104.73 2h42 n ASN 694 Ca 0.17 -1.31 -0.40 0.00 -0.03 0.00 0.00 54.58 53.01 2h42 n ASN 694 Cb 0.31 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.76 7.32 0.22 6.41 0.01 0.08 -4.99 113.70 120.98 2h42 s SER 695 Ca 0.36 1.57 -0.32 0.00 1.31 0.00 0.00 55.95 58.88 2h42 s SER 695 Cb 0.17 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.76 2h42 s SER 695 CO 0.28 0.07 1.36 -0.81 0.41 0.00 0.00 173.24 174.55 2h42 n PRO 696 N 2.39 1.84 -1.00 12.44 -0.04 -1.26 -1.62 135.00 147.75 2h42 n PRO 696 Ca -0.03 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2h42 n PRO 696 Cb 0.49 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.17 0.88 0.18 0.55 0.00 -1.26 -4.87 105.19 102.85 2h42 n GLY 697 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 2.41 -4.49 1.61 3.02 -0.64 -4.57 115.26 112.60 2h42 n ASN 698 Ca 0.00 -2.49 -0.43 0.00 -0.03 0.00 0.00 54.58 51.62 2h42 n ASN 698 Cb 0.00 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 2h42 n ASN 698 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2h42 s GLN 699 N -1.86 3.79 0.00 3.52 2.00 -1.25 -4.46 119.66 121.41 2h42 s GLN 699 Ca 0.18 -1.93 0.23 0.00 -2.00 0.00 0.00 55.36 51.84 2h42 s GLN 699 Cb 0.15 -5.12 1.22 0.00 0.80 0.00 0.00 33.01 30.06 2h42 s GLN 699 CO 0.04 -1.91 1.75 0.44 -0.50 0.00 0.00 175.29 175.11 2h42 n ILE 700 N 5.58 0.21 -1.17 -2.34 -5.35 -1.26 -2.99 119.36 112.05 2h42 n ILE 700 Ca 0.32 0.05 0.03 0.00 -0.27 0.00 0.00 62.75 62.89 2h42 n ILE 700 Cb 0.47 -0.68 0.23 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.21 4.05 0.28 7.28 4.77 -1.26 -4.60 117.00 126.31 2h42 n LEU 701 Ca 0.13 -3.31 0.17 0.00 -0.03 0.00 0.00 56.01 52.97 2h42 n LEU 701 Cb 0.15 -0.59 0.75 0.00 -2.33 0.00 0.00 43.42 41.40 2h42 n LEU 701 CO 0.16 0.89 1.00 0.77 -1.33 0.00 0.00 177.39 178.88 2h42 h SER 702 N 1.45 0.00 1.29 -1.43 4.64 -1.87 -2.83 113.55 114.80 2h42 h SER 702 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2h42 h SER 702 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2h42 h SER 702 CO 0.31 0.04 -0.17 0.61 -0.87 0.00 0.00 176.83 176.76 2h42 n GLY 703 N -0.20 -1.62 3.82 -0.77 0.00 -1.26 -4.87 105.19 100.29 2h42 n GLY 703 Ca -0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.36 3.45 0.73 0.99 1.02 -1.07 -4.90 118.68 114.54 2h42 s LEU 704 Ca 0.10 1.70 -0.12 0.00 0.02 0.00 0.00 54.13 55.83 2h42 s LEU 704 Cb 0.13 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.85 2h42 s LEU 704 CO 0.63 -1.05 1.11 -0.94 0.02 0.00 0.00 176.35 176.11 2h42 s SER 705 N -3.10 5.23 0.20 2.29 1.04 -1.26 -4.76 113.70 113.34 2h42 s SER 705 Ca 0.61 1.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.01 2h42 s SER 705 Cb -0.14 -1.83 0.23 0.00 0.10 0.00 0.00 66.02 64.38 2h42 s SER 705 CO 0.39 -1.47 1.74 0.40 0.98 0.00 0.00 173.24 175.28 2h42 h ILE 706 N -0.75 0.78 -0.67 -1.02 2.04 -1.98 0.26 117.51 116.17 2h42 h ILE 706 Ca -0.45 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2h42 h ILE 706 Cb 1.27 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2h42 h ILE 706 CO 0.64 0.07 0.22 -0.33 0.00 0.00 0.00 178.15 178.74 2h42 h GLU 707 N 0.36 1.04 -0.43 2.37 4.39 -2.00 -1.47 114.58 118.84 2h42 h GLU 707 Ca 0.28 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2h42 h GLU 707 Cb 0.33 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2h42 h GLU 707 CO -0.29 0.90 0.04 0.93 -1.16 0.00 0.00 179.01 179.43 2h42 h GLU 708 N 0.98 0.73 -0.02 2.33 5.08 -1.74 -1.20 114.58 120.74 2h42 h GLU 708 Ca 0.22 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2h42 h GLU 708 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2h42 h GLU 708 CO -0.01 0.78 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.75 2h42 h TYR 709 N 0.58 -0.30 -0.59 4.33 3.20 -0.23 0.18 116.97 124.15 2h42 h TYR 709 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2h42 h TYR 709 Cb 0.43 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2h42 h TYR 709 CO 0.03 -0.18 0.31 0.87 -1.64 0.00 0.00 178.16 177.56 2h42 h LYS 710 N -0.19 0.83 -0.39 1.82 1.57 -1.21 -1.36 116.57 117.63 2h42 h LYS 710 Ca 0.05 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2h42 h LYS 710 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2h42 h LYS 710 CO -0.13 0.65 0.04 1.15 -0.57 0.00 0.00 179.45 180.59 2h42 h THR 711 N 0.80 1.20 -0.14 -0.16 2.02 -0.88 -2.52 112.91 113.22 2h42 h THR 711 Ca 0.21 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 2h42 h THR 711 Cb 0.07 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2h42 h THR 711 CO -0.03 0.27 -0.23 0.74 0.37 0.00 0.00 175.52 176.64 2h42 h THR 712 N 0.58 1.36 -0.65 3.16 2.02 -0.17 -2.53 112.91 116.69 2h42 h THR 712 Ca 0.13 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.85 2h42 h THR 712 Cb 0.30 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2h42 h THR 712 CO 0.01 0.44 0.43 -0.07 0.37 0.00 0.00 175.52 176.69 2h42 h LEU 713 N 0.02 0.72 -0.04 2.58 3.38 -1.16 0.50 115.31 121.31 2h42 h LEU 713 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2h42 h LEU 713 Cb 0.81 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2h42 h LEU 713 CO 0.05 0.52 0.01 0.50 0.09 0.00 0.00 178.44 179.61 2h42 h LYS 714 N 0.85 0.06 -0.64 1.13 1.63 -1.41 -0.61 116.57 117.58 2h42 h LYS 714 Ca 0.24 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2h42 h LYS 714 Cb -0.06 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2h42 h LYS 714 CO -0.06 0.24 0.22 0.82 -3.45 0.00 0.00 179.45 177.23 2h42 h ILE 715 N -0.14 1.23 -0.52 2.00 2.04 -1.00 -2.38 117.51 118.74 2h42 h ILE 715 Ca 0.01 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2h42 h ILE 715 Cb 0.21 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2h42 h ILE 715 CO -0.00 0.30 0.24 0.40 0.00 0.00 0.00 178.15 179.10 2h42 h ILE 716 N 0.94 1.20 -0.10 -0.67 2.04 -0.67 -1.21 117.51 119.05 2h42 h ILE 716 Ca 0.21 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2h42 h ILE 716 Cb 0.23 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2h42 h ILE 716 CO -0.01 0.23 0.05 0.50 0.00 0.00 0.00 178.15 178.91 2h42 h LYS 717 N 0.70 0.15 -0.57 2.37 3.64 -0.77 -1.45 116.57 120.64 2h42 h LYS 717 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2h42 h LYS 717 Cb 0.13 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2h42 h LYS 717 CO -0.02 0.23 0.21 1.96 -2.27 0.00 0.00 179.45 179.56 2h42 h GLN 718 N 0.03 0.83 -0.42 1.90 4.20 -1.37 -0.03 115.11 120.25 2h42 h GLN 718 Ca 0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2h42 h GLN 718 Cb 0.13 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2h42 h GLN 718 CO -0.00 0.70 0.23 0.00 -0.67 0.00 0.00 178.83 179.08 2h42 h ALA 719 N 1.41 0.53 -0.42 3.87 0.00 -0.92 -0.23 119.26 123.51 2h42 h ALA 719 Ca 0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2h42 h ALA 719 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2h42 h ALA 719 CO -0.02 0.06 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 2h42 h ILE 720 N 0.54 1.28 -0.36 0.00 2.04 -0.88 -2.75 117.51 117.38 2h42 h ILE 720 Ca 0.15 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2h42 h ILE 720 Cb 0.05 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2h42 h ILE 720 CO -0.02 0.43 0.13 -0.07 0.00 0.00 0.00 178.15 178.61 2h42 h LEU 721 N 0.66 0.46 -2.65 1.44 3.38 -0.76 -1.25 115.31 116.59 2h42 h LEU 721 Ca 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2h42 h LEU 721 Cb 0.68 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2h42 h LEU 721 CO 0.05 0.43 0.04 0.00 0.09 0.00 0.00 178.44 179.06 2h42 h ALA 722 N 1.64 1.32 0.00 1.53 0.00 -0.72 -1.73 119.26 121.29 2h42 h ALA 722 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2h42 h ALA 722 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2h42 h ALA 722 CO -0.01 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.43 2h42 n THR 723 N -3.45 0.00 -2.75 0.00 -2.24 -0.47 -4.40 114.28 100.97 2h42 n THR 723 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 2h42 n THR 723 Cb 0.12 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.66 6.74 0.57 3.42 -1.08 -0.65 -4.90 116.67 119.09 2h42 s ASP 724 Ca 0.21 0.69 0.28 0.00 -0.52 0.00 0.00 52.55 53.20 2h42 s ASP 724 Cb 0.10 -2.49 1.49 0.00 -1.46 0.00 0.00 42.92 40.56 2h42 s ASP 724 CO 0.16 -0.90 1.98 0.25 0.52 0.00 0.00 175.17 177.19 2h42 h LEU 725 N 10.17 0.00 -0.65 -1.34 5.85 -1.90 -0.11 115.31 127.34 2h42 h LEU 725 Ca -0.22 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 2h42 h LEU 725 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2h42 h LEU 725 CO 1.01 0.00 -0.25 0.00 -0.34 0.00 0.00 178.44 178.86 2h42 h ALA 726 N 1.64 0.83 -0.44 1.25 0.00 -1.90 -1.12 119.26 119.52 2h42 h ALA 726 Ca 0.20 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2h42 h ALA 726 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2h42 h ALA 726 CO -0.00 0.64 -0.22 -0.07 0.00 0.00 0.00 179.25 179.60 2h42 h LEU 727 N 0.68 0.90 0.07 0.00 3.38 -1.34 -1.51 115.31 117.49 2h42 h LEU 727 Ca 0.09 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2h42 h LEU 727 Cb 0.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2h42 h LEU 727 CO 0.06 1.08 -0.04 0.22 0.09 0.00 0.00 178.44 179.85 2h42 h TYR 728 N 0.76 -0.11 -0.36 1.13 3.20 -1.23 -0.93 116.97 119.44 2h42 h TYR 728 Ca 0.10 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2h42 h TYR 728 Cb 0.76 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2h42 h TYR 728 CO 0.04 -0.07 0.24 0.82 -1.64 0.00 0.00 178.16 177.56 2h42 h ILE 729 N -0.11 1.07 -0.00 1.81 2.04 -1.08 -0.24 117.51 120.99 2h42 h ILE 729 Ca -0.01 -0.15 -0.21 0.00 1.00 0.00 0.00 64.86 65.49 2h42 h ILE 729 Cb 0.09 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2h42 h ILE 729 CO 0.01 0.08 -0.90 0.50 0.00 0.00 0.00 178.15 177.84 2h42 h LYS 730 N 0.45 0.32 0.00 2.37 3.64 -0.83 -3.38 116.57 119.15 2h42 h LYS 730 Ca 0.14 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2h42 h LYS 730 Cb 0.01 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2h42 h LYS 730 CO -0.03 1.04 -1.80 0.54 -2.27 0.00 0.00 179.45 176.93 2h42 n ARG 731 N -3.72 0.60 0.20 1.90 1.74 -0.39 -4.51 116.66 112.48 2h42 n ARG 731 Ca -0.05 -0.16 0.18 0.00 -0.77 0.00 0.00 57.85 57.05 2h42 n ARG 731 Cb 0.82 -1.45 0.82 0.00 -1.02 0.00 0.00 32.46 31.62 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 0.00 -0.74 5.56 0.11 -1.22 -0.80 114.38 117.29 2h42 h ARG 732 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2h42 h ARG 732 Cb 0.85 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.89 2h42 h ARG 732 CO 0.00 0.00 0.48 0.78 0.10 0.00 0.00 179.97 181.33 2h42 h GLY 733 N 0.00 1.05 0.82 0.08 0.00 -1.82 -1.44 103.07 101.77 2h42 h GLY 733 Ca 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.05 2h42 h GLY 733 CO -0.00 0.39 0.06 0.83 0.00 0.00 0.00 176.54 177.83 2h42 h GLU 734 N 1.01 0.15 0.09 4.80 5.08 -1.46 -0.27 114.58 123.98 2h42 h GLU 734 Ca 0.27 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2h42 h GLU 734 Cb -0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2h42 h GLU 734 CO -0.06 0.10 -0.15 0.35 -1.00 0.00 0.00 179.01 178.25 2h42 h PHE 735 N 0.16 -0.40 -0.79 4.33 3.57 -1.51 0.15 116.94 122.45 2h42 h PHE 735 Ca 0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2h42 h PHE 735 Cb 0.07 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2h42 h PHE 735 CO -0.12 -0.23 0.52 0.74 -2.23 0.00 0.00 178.31 176.99 2h42 h PHE 736 N -0.30 1.00 0.35 0.41 0.05 -1.16 -1.75 116.94 115.53 2h42 h PHE 736 Ca 0.02 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 2h42 h PHE 736 Cb 0.32 -0.34 0.00 0.00 2.00 0.00 0.00 35.95 37.93 2h42 h PHE 736 CO -0.16 0.63 -0.17 1.49 -0.18 0.00 0.00 178.31 179.91 2h42 h GLU 737 N 1.07 -0.45 -0.88 1.51 4.57 -0.67 0.10 114.58 119.83 2h42 h GLU 737 Ca 0.29 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 2h42 h GLU 737 Cb -0.12 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 2h42 h GLU 737 CO -0.06 -0.30 0.57 -0.07 -1.18 0.00 0.00 179.01 177.96 2h42 h LEU 738 N -0.47 0.71 -0.08 1.64 3.38 -0.44 -2.18 115.31 117.87 2h42 h LEU 738 Ca -0.05 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2h42 h LEU 738 Cb 0.37 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2h42 h LEU 738 CO 0.07 0.38 -0.48 0.40 0.09 0.00 0.00 178.44 178.90 2h42 h ILE 739 N 0.76 1.38 -0.97 1.22 2.04 -0.94 -0.41 117.51 120.60 2h42 h ILE 739 Ca 0.43 -1.84 0.11 0.00 1.00 0.00 0.00 64.86 64.56 2h42 h ILE 739 Cb 0.59 2.27 -0.08 0.00 -0.74 0.00 0.00 36.82 38.86 2h42 h ILE 739 CO -0.19 0.55 0.60 -0.09 0.00 0.00 0.00 178.15 179.01 2h42 h ARG 740 N 0.04 0.95 -0.66 2.37 2.43 -0.23 -1.26 114.38 118.02 2h42 h ARG 740 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2h42 h ARG 740 Cb 1.13 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2h42 h ARG 740 CO 0.10 0.63 0.00 1.63 -1.51 0.00 0.00 179.97 180.82 2h42 n LYS 741 N -4.63 3.41 -4.16 0.20 5.02 -0.87 -4.94 118.16 112.19 2h42 n LYS 741 Ca 0.17 -2.18 -0.28 0.00 -2.02 0.00 0.00 58.31 54.00 2h42 n LYS 741 Cb 0.32 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.61 0.37 0.00 4.39 3.02 -0.48 -4.83 115.26 118.34 2h42 n ASN 742 Ca 0.19 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2h42 n ASN 742 Cb 0.81 -2.25 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 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 -4.50 1.82 -1.72 3.52 6.02 -0.18 -5.02 117.38 117.32 2h42 n GLN 743 Ca -0.32 -1.15 -0.42 0.00 -0.01 0.00 0.00 57.00 55.10 2h42 n GLN 743 Cb 0.69 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 31.01 2h42 n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2h42 s PHE 744 N -0.66 1.37 -0.28 1.08 5.36 -1.11 -4.94 117.98 118.79 2h42 s PHE 744 Ca 0.00 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2h42 s PHE 744 Cb 0.00 -4.12 0.09 0.00 -0.34 0.00 0.00 43.02 38.65 2h42 s PHE 744 CO 0.00 -4.84 0.06 1.21 -1.46 0.00 0.00 175.22 170.20 2h42 s ASN 745 N 5.34 3.81 0.58 6.13 3.04 -1.26 -5.00 114.94 127.58 2h42 s ASN 745 Ca 0.89 -1.43 0.39 0.00 0.04 0.00 0.00 52.86 52.75 2h42 s ASN 745 Cb -0.38 -0.88 2.03 0.00 -1.54 0.00 0.00 41.25 40.47 2h42 s ASN 745 CO 0.38 -0.37 2.18 -0.07 -3.04 0.00 0.00 177.10 176.18 2h42 h LEU 746 N 8.08 0.00 -1.13 3.21 3.38 -1.92 -2.34 115.31 124.59 2h42 h LEU 746 Ca -0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2h42 h LEU 746 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2h42 h LEU 746 CO 0.44 0.00 -0.17 -0.33 0.09 0.00 0.00 178.44 178.46 2h42 h GLU 747 N 0.00 0.00 -6.13 1.13 5.08 -1.96 -3.37 114.58 109.33 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 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2h42 h GLU 747 CO 0.00 0.17 0.86 0.34 -1.00 0.00 0.00 179.01 179.38 2h42 s ASP 748 N -6.09 7.00 0.43 1.42 -1.08 -0.88 -4.91 116.67 112.56 2h42 s ASP 748 Ca 0.01 1.58 0.23 0.00 -0.52 0.00 0.00 52.55 53.85 2h42 s ASP 748 Cb 0.10 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.25 2h42 s ASP 748 CO 0.62 -0.72 1.77 1.55 0.52 0.00 0.00 175.17 178.91 2h42 h PRO 749 N 7.91 0.27 -0.28 4.34 0.13 -1.88 -0.15 132.00 142.34 2h42 h PRO 749 Ca -0.24 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 2h42 h PRO 749 Cb 1.09 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2h42 h PRO 749 CO 0.97 0.18 -0.16 1.25 -0.23 0.00 0.00 178.00 180.01 2h42 h HIS 750 N 0.28 0.70 -0.06 1.56 -0.00 -1.94 -2.44 115.15 113.25 2h42 h HIS 750 Ca 0.60 -0.18 -0.14 0.00 -0.00 0.00 0.00 60.37 60.65 2h42 h HIS 750 Cb 1.75 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.99 2h42 h HIS 750 CO -0.00 0.86 -0.57 1.96 -0.00 0.00 0.00 177.93 180.17 2h42 h GLN 751 N 0.34 0.19 -0.07 5.26 4.20 -1.37 -1.87 115.11 121.79 2h42 h GLN 751 Ca 0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2h42 h GLN 751 Cb 0.69 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2h42 h GLN 751 CO 0.05 0.71 0.01 -0.22 -0.67 0.00 0.00 178.83 178.70 2h42 h LYS 752 N 0.14 0.11 -0.78 1.46 3.64 -1.08 0.15 116.57 120.22 2h42 h LYS 752 Ca -0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2h42 h LYS 752 Cb 1.05 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 2h42 h LYS 752 CO 0.09 0.35 0.50 1.49 -2.27 0.00 0.00 179.45 179.60 2h42 h GLU 753 N -0.14 0.94 -0.08 1.90 4.81 -1.42 -0.05 114.58 120.53 2h42 h GLU 753 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2h42 h GLU 753 Cb 0.29 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2h42 h GLU 753 CO 0.00 0.62 0.05 1.25 -0.73 0.00 0.00 179.01 180.21 2h42 h LEU 754 N 0.97 0.10 -0.36 1.64 5.85 -1.10 -2.39 115.31 120.01 2h42 h LEU 754 Ca 0.31 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2h42 h LEU 754 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2h42 h LEU 754 CO -0.11 0.08 0.21 0.15 -0.34 0.00 0.00 178.44 178.43 2h42 h PHE 755 N 0.10 0.39 -0.74 1.25 3.57 -0.14 -1.93 116.94 119.44 2h42 h PHE 755 Ca 0.03 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.65 2h42 h PHE 755 Cb 0.00 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 2h42 h PHE 755 CO -0.07 0.23 0.36 -0.07 -2.23 0.00 0.00 178.31 176.53 2h42 h LEU 756 N 0.43 0.45 -0.43 0.59 3.38 -0.82 0.19 115.31 119.10 2h42 h LEU 756 Ca 0.14 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2h42 h LEU 756 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2h42 h LEU 756 CO -0.07 0.23 0.09 0.00 0.09 0.00 0.00 178.44 178.79 2h42 h ALA 757 N 1.47 0.57 -0.70 1.53 0.00 -1.03 -0.39 119.26 120.70 2h42 h ALA 757 Ca 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2h42 h ALA 757 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2h42 h ALA 757 CO -0.30 0.26 0.28 0.52 0.00 0.00 0.00 179.25 180.00 2h42 h MET 758 N 0.56 1.04 -0.60 0.00 2.86 -0.54 -1.68 114.93 116.57 2h42 h MET 758 Ca 0.13 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2h42 h MET 758 Cb 0.34 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2h42 h MET 758 CO 0.00 0.85 0.11 1.25 1.06 0.00 0.00 176.91 180.18 2h42 h LEU 759 N 1.02 0.91 -0.37 1.22 5.85 -0.29 0.62 115.31 124.26 2h42 h LEU 759 Ca 0.24 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2h42 h LEU 759 Cb 0.20 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2h42 h LEU 759 CO -0.02 0.90 0.18 0.24 -0.34 0.00 0.00 178.44 179.40 2h42 h MET 760 N 0.91 0.54 -0.35 1.25 2.86 -0.41 -2.15 114.93 117.58 2h42 h MET 760 Ca 0.19 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2h42 h MET 760 Cb 0.38 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2h42 h MET 760 CO 0.01 0.49 0.15 1.15 1.06 0.00 0.00 176.91 179.76 2h42 h THR 761 N 0.46 1.18 -0.65 2.22 2.02 -0.94 -0.03 112.91 117.18 2h42 h THR 761 Ca 0.13 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 66.86 2h42 h THR 761 Cb 0.13 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 2h42 h THR 761 CO -0.02 0.20 0.26 0.00 0.37 0.00 0.00 175.52 176.33 2h42 h ALA 762 N 0.99 0.86 -0.27 6.16 0.00 -0.72 -0.94 119.26 125.34 2h42 h ALA 762 Ca 0.12 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2h42 h ALA 762 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2h42 h ALA 762 CO -0.01 -0.17 -0.59 0.00 0.00 0.00 0.00 179.25 178.48 2h42 h ASP 764 N 0.66 0.00 -0.02 0.00 3.58 -0.43 -2.76 116.42 117.44 2h42 h ASP 764 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2h42 h ASP 764 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2h42 h ASP 764 CO 0.13 0.20 -0.21 0.18 -2.88 0.00 0.00 179.24 176.66 2h42 n LEU 765 N -4.18 2.26 0.23 2.28 4.77 -0.41 -4.63 117.00 117.33 2h42 n LEU 765 Ca -0.02 -0.88 0.08 0.00 -0.03 0.00 0.00 56.01 55.16 2h42 n LEU 765 Cb 0.27 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.80 2h42 n LEU 765 CO 0.36 0.40 0.91 0.77 -1.33 0.00 0.00 177.39 178.50 2h42 h SER 766 N 3.05 0.00 -0.22 -1.43 4.64 -1.05 -0.83 113.55 117.72 2h42 h SER 766 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2h42 h SER 766 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2h42 h SER 766 CO 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 176.83 176.11 2h42 h ALA 767 N 1.05 2.02 0.00 5.18 0.00 -1.82 -1.05 119.26 124.64 2h42 h ALA 767 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h42 h ALA 767 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2h42 h ALA 767 CO 0.00 -0.06 0.00 1.51 0.00 0.00 0.00 179.25 180.70 2h42 n ILE 768 N -4.50 0.97 0.86 0.00 0.13 -0.32 -2.45 119.36 114.06 2h42 n ILE 768 Ca 0.01 0.32 0.10 0.00 -1.10 0.00 0.00 62.75 62.08 2h42 n ILE 768 Cb 0.19 -1.22 0.01 0.00 -0.84 0.00 0.00 39.64 37.78 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 -2.02 0.00 -1.24 9.51 -2.24 -0.40 -4.41 114.28 113.48 2h42 n THR 769 Ca 0.02 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 2h42 n THR 769 Cb 0.17 1.27 0.10 0.00 -2.10 0.00 0.00 70.33 69.78 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 -2.10 1.98 0.16 -0.78 -0.14 -1.03 -4.23 119.74 113.61 2h42 s LYS 770 Ca 0.18 1.48 -0.34 0.00 -1.36 0.00 0.00 55.97 55.92 2h42 s LYS 770 Cb 0.16 -1.84 -0.15 0.00 -1.68 0.00 0.00 37.83 34.31 2h42 s LYS 770 CO 0.44 -1.90 1.29 -2.30 -0.76 0.00 0.00 175.35 172.13 2h42 n PRO 771 N -3.30 1.41 -0.31 -1.68 -0.02 -1.26 -4.21 135.00 125.63 2h42 n PRO 771 Ca 0.11 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 2h42 n PRO 771 Cb 0.52 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.03 -0.33 0.29 6.00 -0.00 -1.26 0.96 117.44 125.13 2h42 n TRP 772 Ca 0.15 0.93 0.18 0.00 -0.00 0.00 0.00 57.50 58.77 2h42 n TRP 772 Cb 0.25 -0.56 0.97 0.00 -0.00 0.00 0.00 31.31 31.97 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 0.00 0.08 5.87 0.13 -2.00 0.13 132.00 136.21 2h42 h PRO 773 Ca 0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 2h42 h PRO 773 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2h42 h PRO 773 CO -0.70 0.00 -0.83 0.82 -0.23 0.00 0.00 178.00 177.06 2h42 h ILE 774 N 0.00 1.37 -1.01 -3.56 2.04 0.28 -3.06 117.51 113.58 2h42 h ILE 774 Ca 0.03 -2.40 0.04 0.00 1.00 0.00 0.00 64.86 63.53 2h42 h ILE 774 Cb 0.24 2.99 -0.06 0.00 -0.74 0.00 0.00 36.82 39.25 2h42 h ILE 774 CO -0.00 0.63 0.66 -0.61 0.00 0.00 0.00 178.15 178.83 2h42 h GLN 775 N -0.60 1.22 -0.63 2.37 5.75 -0.34 -0.44 115.11 122.44 2h42 h GLN 775 Ca -0.18 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.19 2h42 h GLN 775 Cb 1.47 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 2h42 h GLN 775 CO 0.04 0.81 0.18 0.37 -2.65 0.00 0.00 178.83 177.57 2h42 h GLN 776 N 1.25 0.96 -0.36 1.69 4.15 -0.89 0.24 115.11 122.16 2h42 h GLN 776 Ca 0.41 -0.20 -0.16 0.00 0.77 0.00 0.00 58.65 59.47 2h42 h GLN 776 Cb 0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2h42 h GLN 776 CO -0.13 0.84 -0.39 0.00 -1.93 0.00 0.00 178.83 177.21 2h42 h ARG 777 N 0.93 0.88 -0.43 1.69 3.08 -1.17 -2.47 114.38 116.89 2h42 h ARG 777 Ca 0.20 -0.46 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 2h42 h ARG 777 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2h42 h ARG 777 CO -0.00 1.11 -0.14 0.82 -1.07 0.00 0.00 179.97 180.69 2h42 h ILE 778 N 0.72 1.27 -0.60 2.04 2.04 -0.67 -2.55 117.51 119.77 2h42 h ILE 778 Ca 0.06 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.71 2h42 h ILE 778 Cb 0.97 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2h42 h ILE 778 CO 0.09 0.43 0.40 0.00 0.00 0.00 0.00 178.15 179.07 2h42 h ALA 779 N 0.85 1.78 -0.24 1.87 0.00 -0.50 0.14 119.26 123.16 2h42 h ALA 779 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2h42 h ALA 779 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2h42 h ALA 779 CO 0.05 0.13 -0.24 1.49 0.00 0.00 0.00 179.25 180.68 2h42 h GLU 780 N 0.61 0.45 -0.47 0.00 4.81 -1.05 -1.55 114.58 117.39 2h42 h GLU 780 Ca 0.25 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 2h42 h GLU 780 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2h42 h GLU 780 CO -0.07 0.67 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.60 2h42 h LEU 781 N 0.41 0.99 0.17 1.64 3.38 -0.40 -0.83 115.31 120.67 2h42 h LEU 781 Ca 0.06 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2h42 h LEU 781 Cb 0.64 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2h42 h LEU 781 CO 0.05 1.16 -0.08 0.58 0.09 0.00 0.00 178.44 180.23 2h42 h VAL 782 N 0.81 0.88 -0.98 1.22 2.07 -1.02 -1.65 116.25 117.58 2h42 h VAL 782 Ca 0.11 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2h42 h VAL 782 Cb 0.78 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2h42 h VAL 782 CO 0.06 0.05 0.64 0.00 0.02 0.00 0.00 177.57 178.35 2h42 h ALA 783 N 0.47 1.41 -0.85 1.67 0.00 -1.24 -1.05 119.26 119.67 2h42 h ALA 783 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2h42 h ALA 783 Cb 0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2h42 h ALA 783 CO 0.04 0.45 0.42 1.15 0.00 0.00 0.00 179.25 181.31 2h42 h THR 784 N 1.17 1.26 -0.56 0.00 2.02 -0.89 0.20 112.91 116.11 2h42 h THR 784 Ca 0.42 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 2h42 h THR 784 Cb 0.14 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2h42 h THR 784 CO -0.16 0.31 -0.09 -0.08 0.37 0.00 0.00 175.52 175.88 2h42 h GLU 785 N 1.21 1.05 -0.15 6.66 4.81 -0.27 0.69 114.58 128.57 2h42 h GLU 785 Ca 0.29 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2h42 h GLU 785 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2h42 h GLU 785 CO -0.04 1.07 0.06 0.74 -0.73 0.00 0.00 179.01 180.11 2h42 h PHE 786 N 0.93 0.23 -0.41 0.92 0.05 -0.68 -2.28 116.94 115.71 2h42 h PHE 786 Ca 0.15 -0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.84 2h42 h PHE 786 Cb 0.65 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.52 2h42 h PHE 786 CO 0.04 0.31 -0.07 0.74 -0.18 0.00 0.00 178.31 179.15 2h42 h PHE 787 N 0.09 0.76 -0.94 -0.55 0.04 -0.49 -1.42 116.94 114.43 2h42 h PHE 787 Ca 0.05 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2h42 h PHE 787 Cb 0.17 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 2h42 h PHE 787 CO -0.01 0.75 0.55 -0.44 -0.60 0.00 0.00 178.31 178.56 2h42 h ASP 788 N 0.65 1.14 -0.55 2.17 3.32 -0.70 0.94 116.42 123.39 2h42 h ASP 788 Ca 0.12 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2h42 h ASP 788 Cb 0.51 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2h42 h ASP 788 CO 0.03 0.88 0.01 -0.61 -1.72 0.00 0.00 179.24 177.83 2h42 h GLN 789 N 1.30 0.96 -0.12 3.56 4.15 -0.93 -0.73 115.11 123.28 2h42 h GLN 789 Ca 0.33 -0.30 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2h42 h GLN 789 Cb -0.03 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2h42 h GLN 789 CO -0.06 0.96 0.00 0.78 -1.93 0.00 0.00 178.83 178.58 2h42 h GLY 790 N 0.84 0.12 1.04 2.39 0.00 -0.18 0.71 103.07 107.99 2h42 h GLY 790 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2h42 h GLY 790 CO 0.03 -0.02 0.36 -0.55 0.00 0.00 0.00 176.54 176.36 2h42 h ASP 791 N 0.05 1.09 -0.76 0.19 3.32 -0.72 -2.40 116.42 117.19 2h42 h ASP 791 Ca 0.06 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2h42 h ASP 791 Cb 0.06 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 2h42 h ASP 791 CO -0.09 0.94 0.38 -0.09 -1.72 0.00 0.00 179.24 178.66 2h42 h ARG 792 N 1.17 1.08 -0.05 3.56 2.43 -0.63 -2.54 114.38 119.40 2h42 h ARG 792 Ca 0.28 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2h42 h ARG 792 Cb 0.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2h42 h ARG 792 CO -0.03 0.83 -0.59 0.93 -1.51 0.00 0.00 179.97 179.60 2h42 h GLU 793 N 1.06 0.16 -0.32 0.20 5.08 -0.61 -0.77 114.58 119.38 2h42 h GLU 793 Ca 0.26 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2h42 h GLU 793 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2h42 h GLU 793 CO -0.04 0.70 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.43 2h42 h ARG 794 N 0.12 0.56 0.17 2.33 2.43 -1.21 0.45 114.38 119.24 2h42 h ARG 794 Ca -0.00 -0.18 -0.32 0.00 -0.81 0.00 0.00 59.98 58.67 2h42 h ARG 794 Cb 1.07 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2h42 h ARG 794 CO 0.09 0.69 -1.34 -0.22 -1.51 0.00 0.00 179.97 177.68 2h42 h LYS 795 N 0.51 0.59 0.07 0.20 3.64 -1.23 -2.27 116.57 118.09 2h42 h LYS 795 Ca 0.09 -0.87 -0.28 0.00 -1.27 0.00 0.00 60.65 58.31 2h42 h LYS 795 Cb 0.56 0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2h42 h LYS 795 CO 0.04 1.41 -1.52 0.93 -2.27 0.00 0.00 179.45 178.04 2h42 h GLU 796 N 0.23 0.15 -0.01 1.90 5.08 -1.06 -3.39 114.58 117.48 2h42 h GLU 796 Ca -0.22 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2h42 h GLU 796 Cb 2.02 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2h42 h GLU 796 CO 0.25 1.12 -0.52 1.28 -1.00 0.00 0.00 179.01 180.15 2h42 n LEU 797 N -3.99 1.82 -3.27 1.33 4.77 0.15 -4.97 117.00 112.83 2h42 n LEU 797 Ca -0.30 -0.73 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 2h42 n LEU 797 Cb 0.86 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 2h42 n LEU 797 CO 0.33 0.35 -0.00 -3.20 -1.33 0.00 0.00 177.39 173.53 2h42 n ASN 798 N -0.23 -4.87 -4.60 -1.43 4.05 -0.35 -4.95 115.26 102.87 2h42 n ASN 798 Ca 0.08 -0.38 -0.27 0.00 0.45 0.00 0.00 54.58 54.46 2h42 n ASN 798 Cb 0.43 -3.96 -0.09 0.00 1.23 0.00 0.00 39.78 37.39 2h42 n ASN 798 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2h42 s ILE 799 N -3.07 3.39 0.34 -1.44 -4.36 -1.21 -4.95 121.20 109.91 2h42 s ILE 799 Ca 0.38 -1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 59.03 2h42 s ILE 799 Cb -0.19 -2.68 -0.10 0.00 1.25 0.00 0.00 42.46 40.75 2h42 s ILE 799 CO 0.47 -0.08 0.90 -1.61 0.24 0.00 0.00 174.94 174.87 2h42 s GLU 800 N -2.77 4.38 0.48 0.37 0.41 -1.26 -3.43 118.70 116.87 2h42 s GLU 800 Ca 0.25 1.14 -0.21 0.00 -0.41 0.00 0.00 54.97 55.75 2h42 s GLU 800 Cb -0.09 -2.60 -0.08 0.00 -1.78 0.00 0.00 34.13 29.58 2h42 s GLU 800 CO 0.16 0.19 1.05 -1.25 -0.49 0.00 0.00 175.26 174.93 2h42 s PRO 801 N -2.45 3.81 0.81 0.39 0.04 -1.26 -5.01 135.00 131.32 2h42 s PRO 801 Ca 0.53 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2h42 s PRO 801 Cb -0.15 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.31 2h42 s PRO 801 CO 0.20 -0.43 1.09 0.95 0.04 0.00 0.00 177.00 178.85 2h42 s THR 802 N -1.91 3.09 0.20 1.26 -4.23 -1.26 -4.72 115.64 108.07 2h42 s THR 802 Ca 0.66 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.36 2h42 s THR 802 Cb -0.18 -3.04 0.19 0.00 1.34 0.00 0.00 72.50 70.81 2h42 s THR 802 CO 0.22 -0.46 1.61 0.44 -0.54 0.00 0.00 174.62 175.88 2h42 h ASP 803 N -1.14 -0.81 -1.09 3.99 3.32 -1.96 -0.53 116.42 118.19 2h42 h ASP 803 Ca -0.47 0.20 0.30 0.00 0.02 0.00 0.00 57.03 57.08 2h42 h ASP 803 Cb 1.26 0.46 -0.10 0.00 0.22 0.00 0.00 39.33 41.18 2h42 h ASP 803 CO 0.58 -0.25 0.70 0.25 -1.72 0.00 0.00 179.24 178.80 2h42 h LEU 804 N -0.08 0.39 -3.25 1.55 5.85 -1.94 -0.78 115.31 117.05 2h42 h LEU 804 Ca 0.27 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 2h42 h LEU 804 Cb 0.51 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2h42 h LEU 804 CO -0.66 0.03 -0.01 0.23 -0.34 0.00 0.00 178.44 177.70 2h42 n MET 805 N -4.62 2.54 -3.54 1.25 2.81 -0.27 -4.58 117.12 110.70 2h42 n MET 805 Ca 0.27 -2.88 -0.42 0.00 -1.81 0.00 0.00 57.70 52.86 2h42 n MET 805 Cb 0.98 -1.81 -0.10 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.15 5.82 0.54 7.83 3.84 -0.30 -3.95 114.94 126.57 2h42 s ASN 806 Ca 0.42 -1.25 0.27 0.00 0.21 0.00 0.00 52.86 52.51 2h42 s ASN 806 Cb 0.35 -2.06 1.44 0.00 -0.55 0.00 0.00 41.25 40.43 2h42 s ASN 806 CO 0.07 -0.51 1.97 -0.09 -2.79 0.00 0.00 177.10 175.74 2h42 h ARG 807 N 8.51 0.00 0.00 0.43 2.43 -1.88 0.24 114.38 124.12 2h42 h ARG 807 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 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 0.75 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 179.60 2h42 n GLU 808 N -4.26 0.06 -0.72 0.20 -0.58 -1.26 -2.77 120.64 111.32 2h42 n GLU 808 Ca 0.11 0.28 0.02 0.00 -0.42 0.00 0.00 57.16 57.15 2h42 n GLU 808 Cb 0.68 -1.61 0.27 0.00 -0.57 0.00 0.00 31.44 30.21 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 -1.73 3.04 -0.29 3.49 4.76 0.84 -4.67 118.16 123.60 2h42 n LYS 809 Ca 0.03 -3.01 0.26 0.00 -2.87 0.00 0.00 58.31 52.73 2h42 n LYS 809 Cb 0.21 -1.97 0.60 0.00 -1.84 0.00 0.00 35.03 32.02 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 2.00 0.23 0.00 1.97 1.57 -1.62 -0.51 116.57 120.21 2h42 h LYS 810 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2h42 h LYS 810 Cb 1.79 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2h42 h LYS 810 CO 0.43 0.15 0.00 0.27 -0.57 0.00 0.00 179.45 179.73 2h42 n ASN 811 N -4.45 0.00 0.00 0.86 6.94 -1.26 -1.60 115.26 115.75 2h42 n ASN 811 Ca 0.24 0.33 0.11 0.00 -0.02 0.00 0.00 54.58 55.23 2h42 n ASN 811 Cb 0.96 -0.36 0.01 0.00 -2.36 0.00 0.00 39.78 38.03 2h42 n ASN 811 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2h42 n LYS 812 N -1.36 0.05 -0.15 -3.83 5.02 -0.20 -4.48 118.16 113.20 2h42 n LYS 812 Ca 0.02 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 2h42 n LYS 812 Cb 0.04 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.00 0.27 -0.17 -0.18 2.04 -1.46 -0.90 117.51 117.10 2h42 h ILE 813 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2h42 h ILE 813 Cb 0.54 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 2h42 h ILE 813 CO 0.00 0.00 -0.43 -0.65 0.00 0.00 0.00 178.15 177.07 2h42 h PRO 814 N -0.17 -0.46 -0.41 2.37 0.11 -1.81 0.36 132.00 132.00 2h42 h PRO 814 Ca 0.21 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 2h42 h PRO 814 Cb 0.51 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2h42 h PRO 814 CO -0.58 -0.31 0.16 0.66 -0.21 0.00 0.00 178.00 177.73 2h42 h SER 815 N -0.48 0.52 0.13 -2.05 4.64 -1.75 -1.51 113.55 113.06 2h42 h SER 815 Ca 0.08 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 2h42 h SER 815 Cb 0.62 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2h42 h SER 815 CO -0.43 0.48 -0.50 0.24 -0.87 0.00 0.00 176.83 175.75 2h42 h MET 816 N 0.58 0.42 -0.56 4.77 2.86 -0.10 -1.56 114.93 121.35 2h42 h MET 816 Ca 0.14 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 2h42 h MET 816 Cb 0.12 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2h42 h MET 816 CO -0.01 0.83 0.10 1.96 1.06 0.00 0.00 176.91 180.84 2h42 h GLN 817 N 0.34 0.92 -0.42 1.72 1.08 0.40 -0.69 115.11 118.46 2h42 h GLN 817 Ca 0.01 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 2h42 h GLN 817 Cb 1.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2h42 h GLN 817 CO 0.09 0.88 0.24 0.28 -0.95 0.00 0.00 178.83 179.37 2h42 h VAL 818 N 0.81 1.15 -0.44 -0.54 2.07 -1.08 -0.97 116.25 117.25 2h42 h VAL 818 Ca 0.17 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2h42 h VAL 818 Cb 0.40 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2h42 h VAL 818 CO 0.01 0.16 -0.09 1.23 0.02 0.00 0.00 177.57 178.89 2h42 h GLY 819 N 0.55 0.85 1.00 2.17 0.00 -1.12 -0.76 103.07 105.75 2h42 h GLY 819 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2h42 h GLY 819 CO -0.02 0.58 0.35 -2.75 0.00 0.00 0.00 176.54 174.70 2h42 h PHE 820 N 0.71 0.81 -0.66 5.60 3.57 -0.76 0.22 116.94 126.43 2h42 h PHE 820 Ca 0.12 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2h42 h PHE 820 Cb 0.57 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2h42 h PHE 820 CO 0.03 0.57 0.09 0.82 -2.23 0.00 0.00 178.31 177.58 2h42 h ILE 821 N 0.82 1.26 -0.18 1.41 2.04 -0.82 -0.90 117.51 121.15 2h42 h ILE 821 Ca 0.22 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 2h42 h ILE 821 Cb 0.00 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2h42 h ILE 821 CO -0.04 0.40 -0.15 0.44 0.00 0.00 0.00 178.15 178.80 2h42 h ASP 822 N 1.02 0.44 0.89 1.72 3.32 -0.55 -1.12 116.42 122.15 2h42 h ASP 822 Ca 0.20 -0.46 -0.18 0.00 0.02 0.00 0.00 57.03 56.61 2h42 h ASP 822 Cb 0.46 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2h42 h ASP 822 CO 0.02 0.81 -0.84 0.00 -1.72 0.00 0.00 179.24 177.51 2h42 h ALA 823 N 0.65 0.59 0.00 3.45 0.00 -0.57 -3.43 119.26 119.94 2h42 h ALA 823 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2h42 h ALA 823 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2h42 h ALA 823 CO 0.04 1.05 -0.96 -0.89 0.00 0.00 0.00 179.25 178.49 2h42 n ILE 824 N -3.50 0.00 0.02 0.00 2.08 -0.35 -4.99 119.36 112.62 2h42 n ILE 824 Ca -0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2h42 n ILE 824 Cb 0.81 -1.41 -0.06 0.00 -0.75 0.00 0.00 39.64 38.23 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 -0.96 -0.62 -0.97 0.00 3.38 -1.48 -1.50 115.31 113.16 2h42 h LEU 826 Ca -0.02 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2h42 h LEU 826 Cb 0.46 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2h42 h LEU 826 CO 0.03 -0.21 0.46 1.56 0.09 0.00 0.00 178.44 180.36 2h42 h GLN 827 N -0.01 1.18 0.18 1.13 4.20 -1.83 0.17 115.11 120.12 2h42 h GLN 827 Ca 0.30 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2h42 h GLN 827 Cb 0.46 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2h42 h GLN 827 CO -0.64 0.87 -0.09 1.25 -0.67 0.00 0.00 178.83 179.55 2h42 h LEU 828 N 1.19 -0.20 -1.27 1.46 5.85 -1.45 0.51 115.31 121.39 2h42 h LEU 828 Ca 0.30 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2h42 h LEU 828 Cb 0.04 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2h42 h LEU 828 CO -0.05 -0.00 -0.31 1.88 -0.34 0.00 0.00 178.44 179.62 2h42 h TYR 829 N -0.40 0.09 -0.30 1.25 0.99 -1.15 0.10 116.97 117.56 2h42 h TYR 829 Ca -0.02 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.63 2h42 h TYR 829 Cb 0.31 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 2h42 h TYR 829 CO -0.02 0.39 -0.05 0.93 -0.00 0.00 0.00 178.16 179.41 2h42 h GLU 830 N 0.07 0.56 -0.06 4.88 5.08 -0.82 -1.66 114.58 122.63 2h42 h GLU 830 Ca 0.01 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2h42 h GLU 830 Cb 0.60 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2h42 h GLU 830 CO 0.04 0.74 0.03 0.00 -1.00 0.00 0.00 179.01 178.83 2h42 h ALA 831 N 0.80 0.08 -0.94 3.43 0.00 -0.26 -2.14 119.26 120.23 2h42 h ALA 831 Ca 0.08 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2h42 h ALA 831 Cb 0.52 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2h42 h ALA 831 CO 0.03 -0.38 0.61 1.25 0.00 0.00 0.00 179.25 180.75 2h42 h LEU 832 N 0.01 0.91 -1.39 0.00 5.85 -0.78 -0.71 115.31 119.20 2h42 h LEU 832 Ca 0.02 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2h42 h LEU 832 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2h42 h LEU 832 CO -0.00 0.55 -0.25 0.74 -0.34 0.00 0.00 178.44 179.14 2h42 h THR 833 N 1.01 1.20 -0.09 1.05 2.02 -0.88 -0.20 112.91 117.02 2h42 h THR 833 Ca 0.43 -0.95 -0.16 0.00 0.77 0.00 0.00 66.41 66.50 2h42 h THR 833 Cb 0.32 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2h42 h THR 833 CO -0.19 0.28 -0.63 -0.74 0.37 0.00 0.00 175.52 174.61 2h42 h HIS 834 N 0.08 0.43 -0.36 3.16 -0.00 -0.51 -1.91 115.15 116.05 2h42 h HIS 834 Ca 0.01 -0.17 -0.12 0.00 -0.00 0.00 0.00 60.37 60.09 2h42 h HIS 834 Cb 0.48 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2h42 h HIS 834 CO 0.00 0.87 -0.25 0.28 -0.00 0.00 0.00 177.93 178.84 2h42 h VAL 835 N 0.24 1.28 -2.09 5.26 2.07 -0.67 -3.41 116.25 118.93 2h42 h VAL 835 Ca -0.01 -1.40 -0.27 0.00 0.82 0.00 0.00 66.70 65.84 2h42 h VAL 835 Cb 1.16 1.39 -0.32 0.00 -1.52 0.00 0.00 31.29 32.00 2h42 h VAL 835 CO 0.10 0.46 -0.59 -0.55 0.02 0.00 0.00 177.57 177.01 2h42 s SER 836 N -6.59 1.17 0.56 0.57 0.15 -0.17 -5.02 113.70 104.37 2h42 s SER 836 Ca -0.12 -0.43 0.31 0.00 0.70 0.00 0.00 55.95 56.40 2h42 s SER 836 Cb 0.10 0.69 1.47 0.00 -1.71 0.00 0.00 66.02 66.57 2h42 s SER 836 CO 0.84 -0.36 1.86 1.05 1.20 0.00 0.00 173.24 177.84 2h42 h GLU 837 N 8.24 0.00 0.00 5.44 4.11 -1.60 0.25 114.58 131.02 2h42 h GLU 837 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2h42 h GLU 837 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2h42 h GLU 837 CO 0.30 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.13 2h42 n ASP 838 N -4.04 0.00 -0.65 3.06 8.00 -1.26 -1.08 116.55 120.57 2h42 n ASP 838 Ca 0.16 0.11 0.13 0.00 0.71 0.00 0.00 54.79 55.89 2h42 n ASP 838 Cb 0.91 -0.29 0.35 0.00 -0.02 0.00 0.00 41.12 42.07 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 3.20 0.62 -1.11 0.00 3.57 -1.27 -0.77 116.94 121.18 2h42 h PHE 840 Ca 0.00 0.05 0.32 0.00 3.53 0.00 0.00 57.97 61.86 2h42 h PHE 840 Cb 0.69 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2h42 h PHE 840 CO 0.00 -0.27 0.79 -1.35 -2.23 0.00 0.00 178.31 175.25 2h42 h PRO 841 N 0.20 0.05 -0.22 6.41 0.11 -1.84 0.21 132.00 136.92 2h42 h PRO 841 Ca 0.68 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.69 2h42 h PRO 841 Cb 1.55 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.64 2h42 h PRO 841 CO -0.69 0.03 -0.25 -0.07 -0.21 0.00 0.00 178.00 176.81 2h42 h LEU 842 N 0.05 0.60 -0.36 2.35 3.38 -1.49 -1.08 115.31 118.75 2h42 h LEU 842 Ca 0.54 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2h42 h LEU 842 Cb 2.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2h42 h LEU 842 CO -0.04 0.97 0.08 0.25 0.09 0.00 0.00 178.44 179.79 2h42 h LEU 843 N 0.24 0.56 -0.26 1.67 5.85 -0.81 -1.95 115.31 120.61 2h42 h LEU 843 Ca 0.03 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2h42 h LEU 843 Cb 0.82 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2h42 h LEU 843 CO 0.06 0.65 0.09 -0.78 -0.34 0.00 0.00 178.44 178.12 2h42 h ASP 844 N 0.44 0.09 -0.61 1.25 -0.00 -0.80 -0.84 116.42 115.96 2h42 h ASP 844 Ca 0.11 0.03 -0.04 0.00 -0.00 0.00 0.00 57.03 57.13 2h42 h ASP 844 Cb 0.32 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.64 2h42 h ASP 844 CO 0.00 0.09 0.24 1.23 -0.00 0.00 0.00 179.24 180.79 2h42 h GLY 845 N 0.20 1.02 0.86 -0.78 0.00 -1.12 -1.66 103.07 101.59 2h42 h GLY 845 Ca 0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2h42 h GLY 845 CO -0.12 0.51 0.03 0.00 0.00 0.00 0.00 176.54 176.96 2h42 h ARG 847 N -0.04 0.25 -0.71 0.00 3.08 -0.96 -0.61 114.38 115.40 2h42 h ARG 847 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2h42 h ARG 847 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2h42 h ARG 847 CO -0.00 0.17 0.35 0.87 -1.07 0.00 0.00 179.97 180.28 2h42 h LYS 848 N 0.26 1.01 -0.16 0.04 1.57 -1.19 -2.40 116.57 115.70 2h42 h LYS 848 Ca 0.13 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2h42 h LYS 848 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2h42 h LYS 848 CO -0.12 0.79 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.31 2h42 h ASN 849 N 0.98 0.34 -0.83 0.86 2.35 -0.85 -1.80 115.58 116.63 2h42 h ASN 849 Ca 0.24 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2h42 h ASN 849 Cb 0.11 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2h42 h ASN 849 CO -0.03 0.65 0.51 -0.09 -1.65 0.00 0.00 177.43 176.82 2h42 h ARG 850 N 0.29 1.13 -0.63 0.81 2.43 -0.71 -0.22 114.38 117.47 2h42 h ARG 850 Ca 0.04 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2h42 h ARG 850 Cb 0.72 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2h42 h ARG 850 CO 0.06 0.79 0.06 0.37 -1.51 0.00 0.00 179.97 179.73 2h42 h GLN 851 N 1.14 1.07 -0.08 0.20 5.75 -1.05 -0.01 115.11 122.12 2h42 h GLN 851 Ca 0.30 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2h42 h GLN 851 Cb -0.05 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 2h42 h GLN 851 CO -0.06 1.01 0.05 0.87 -2.65 0.00 0.00 178.83 178.05 2h42 h LYS 852 N 0.99 0.11 -0.67 1.69 1.79 -0.61 -0.55 116.57 119.32 2h42 h LYS 852 Ca 0.19 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 2h42 h LYS 852 Cb 0.48 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2h42 h LYS 852 CO 0.02 0.11 0.27 -1.49 -1.08 0.00 0.00 179.45 177.28 2h42 h TRP 853 N 0.09 1.02 -0.78 -1.35 4.06 -0.82 -2.42 115.95 115.75 2h42 h TRP 853 Ca 0.03 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2h42 h TRP 853 Cb 0.02 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 27.84 2h42 h TRP 853 CO -0.06 0.80 0.50 1.96 -3.56 0.00 0.00 178.44 178.08 2h42 h GLN 854 N 0.95 1.03 -0.77 0.49 1.08 -0.77 0.27 115.11 117.40 2h42 h GLN 854 Ca 0.22 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.46 2h42 h GLN 854 Cb 0.21 -0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 2h42 h GLN 854 CO -0.02 0.70 0.40 0.00 -0.95 0.00 0.00 178.83 178.96 2h42 h ALA 855 N 1.27 1.09 -0.03 3.87 0.00 -0.65 0.16 119.26 124.98 2h42 h ALA 855 Ca 0.28 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 2h42 h ALA 855 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2h42 h ALA 855 CO -0.06 -0.02 -0.70 -0.07 0.00 0.00 0.00 179.25 178.40 2h42 h LEU 856 N 0.65 0.18 -0.26 0.00 3.38 -0.86 -2.62 115.31 115.79 2h42 h LEU 856 Ca 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2h42 h LEU 856 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2h42 h LEU 856 CO -0.28 0.83 0.14 0.00 0.09 0.00 0.00 178.44 179.21 2h42 h ALA 857 N 1.17 0.33 0.00 1.53 0.00 0.18 0.20 119.26 122.66 2h42 h ALA 857 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2h42 h ALA 857 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2h42 h ALA 857 CO 0.10 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.15 2h42 h GLU 858 N 0.30 0.00 -4.05 0.00 5.08 -0.79 -3.48 114.58 111.64 2h42 h GLU 858 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h42 h GLU 858 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2h42 h GLU 858 CO -0.01 0.00 -0.87 1.04 -1.00 0.00 0.00 179.01 178.17 2h42 n GLN 859 N -2.31 -3.12 0.00 2.33 6.02 0.06 -5.10 117.38 115.26 2h42 n GLN 859 Ca 0.01 2.49 0.09 0.00 -0.01 0.00 0.00 57.00 59.58 2h42 n GLN 859 Cb 0.20 -3.45 0.53 0.00 1.02 0.00 0.00 30.24 28.55 2h42 n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09