#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hc8 h THR 537 N 0.00 1.26 -0.65 6.31 1.03 -2.05 -2.82 112.91 115.99 3hc8 h THR 537 Ca 0.00 -1.19 -0.01 0.00 -0.01 0.00 0.00 66.41 65.20 3hc8 h THR 537 Cb 0.00 0.94 -0.03 0.00 -1.07 0.00 0.00 68.15 67.99 3hc8 h THR 537 CO 0.00 0.42 0.35 -0.09 -0.01 0.00 0.00 175.52 176.19 3hc8 h ARG 538 N 0.84 0.91 -0.64 0.00 2.43 -2.05 -0.93 114.38 114.95 3hc8 h ARG 538 Ca 0.14 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hc8 h ARG 538 Cb 0.60 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3hc8 h ARG 538 CO 0.04 0.70 0.06 0.93 -1.51 0.00 0.00 179.97 180.18 3hc8 h GLU 539 N 0.89 1.09 -0.43 0.20 5.08 -1.98 0.57 114.58 120.00 3hc8 h GLU 539 Ca 0.23 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3hc8 h GLU 539 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3hc8 h GLU 539 CO -0.04 1.02 0.28 1.25 -1.00 0.00 0.00 179.01 180.53 3hc8 h LEU 540 N 1.00 0.48 -0.66 1.33 5.85 -1.23 -2.01 115.31 120.08 3hc8 h LEU 540 Ca 0.19 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3hc8 h LEU 540 Cb 0.50 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3hc8 h LEU 540 CO 0.02 0.35 -0.24 1.56 -0.34 0.00 0.00 178.44 179.79 3hc8 h GLN 541 N 0.57 0.79 -0.22 1.25 4.20 -0.68 -0.32 115.11 120.71 3hc8 h GLN 541 Ca 0.16 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.54 3hc8 h GLN 541 Cb -0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3hc8 h GLN 541 CO -0.04 0.95 0.13 0.77 -0.67 0.00 0.00 178.83 179.97 3hc8 h SER 542 N 0.69 0.22 -0.24 1.46 0.02 -0.79 -1.71 113.55 113.20 3hc8 h SER 542 Ca 0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3hc8 h SER 542 Cb 0.76 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3hc8 h SER 542 CO 0.06 0.16 0.04 0.25 -1.14 0.00 0.00 176.83 176.20 3hc8 h LEU 543 N 0.27 0.38 -1.28 5.07 5.85 -1.09 -2.29 115.31 122.22 3hc8 h LEU 543 Ca 0.08 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 3hc8 h LEU 543 Cb -0.02 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hc8 h LEU 543 CO -0.03 0.55 -0.33 0.00 -0.34 0.00 0.00 178.44 178.29 3hc8 h ALA 544 N 0.85 1.24 0.00 1.25 0.00 -1.01 -2.67 119.26 118.91 3hc8 h ALA 544 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hc8 h ALA 544 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hc8 h ALA 544 CO 0.01 0.41 -0.46 0.00 0.00 0.00 0.00 179.25 179.21 3hc8 n ALA 545 N -2.38 3.00 -1.78 0.00 0.00 -0.65 -4.92 120.51 113.79 3hc8 n ALA 545 Ca -0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 3hc8 n ALA 545 Cb 0.41 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3hc8 n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hc8 s ALA 546 N -3.09 3.17 0.23 0.00 0.00 -0.87 -5.02 121.76 116.18 3hc8 s ALA 546 Ca 0.09 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3hc8 s ALA 546 Cb 0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 3hc8 s ALA 546 CO 0.68 -0.20 1.23 0.08 0.00 0.00 0.00 175.76 177.56 3hc8 s VAL 547 N -1.52 3.29 -0.40 0.00 1.01 -1.26 -5.01 120.40 116.51 3hc8 s VAL 547 Ca 0.54 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 3hc8 s VAL 547 Cb -0.25 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3hc8 s VAL 547 CO 0.31 0.21 0.33 -0.69 0.00 0.00 0.00 175.10 175.26 3hc8 s VAL 548 N -0.37 5.22 1.07 2.92 1.01 -1.26 -5.06 120.40 123.93 3hc8 s VAL 548 Ca 0.52 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3hc8 s VAL 548 Cb -0.35 -3.93 0.23 0.00 0.00 0.00 0.00 36.38 32.34 3hc8 s VAL 548 CO 0.41 -0.29 1.08 -2.84 0.00 0.00 0.00 175.10 173.45 3hc8 s PRO 549 N 1.80 -0.20 0.76 2.72 0.02 -1.26 -4.97 135.00 133.86 3hc8 s PRO 549 Ca 0.07 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 3hc8 s PRO 549 Cb -0.18 -1.61 0.05 0.00 0.02 0.00 0.00 34.50 32.78 3hc8 s PRO 549 CO 0.11 -3.34 1.08 -1.54 -0.33 0.00 0.00 177.00 172.98 3hc8 s SER 550 N -2.51 4.67 0.38 2.53 1.04 -1.26 -4.85 113.70 113.69 3hc8 s SER 550 Ca 0.68 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.84 3hc8 s SER 550 Cb -0.25 -2.44 0.75 0.00 0.10 0.00 0.00 66.02 64.19 3hc8 s SER 550 CO 0.62 -1.91 2.02 0.00 0.98 0.00 0.00 173.24 174.95 3hc8 h ALA 551 N -1.04 1.65 0.57 5.32 0.00 -1.93 -1.33 119.26 122.49 3hc8 h ALA 551 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3hc8 h ALA 551 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hc8 h ALA 551 CO 0.54 0.31 -0.40 0.37 0.00 0.00 0.00 179.25 180.07 3hc8 h GLN 552 N 0.71 -0.90 -0.80 0.00 4.15 -1.97 -0.63 115.11 115.68 3hc8 h GLN 552 Ca 0.21 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.78 3hc8 h GLN 552 Cb -0.02 0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 3hc8 h GLN 552 CO -0.05 -0.60 0.45 1.15 -1.93 0.00 0.00 178.83 177.85 3hc8 h THR 553 N -0.93 0.92 0.00 2.39 2.02 -1.86 -1.98 112.91 113.47 3hc8 h THR 553 Ca -0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hc8 h THR 553 Cb 0.78 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3hc8 h THR 553 CO 0.03 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.24 3hc8 n LEU 554 N -4.75 0.10 -1.60 2.58 4.77 -0.53 -4.91 117.00 112.67 3hc8 n LEU 554 Ca 0.13 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 3hc8 n LEU 554 Cb 0.25 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3hc8 n LEU 554 CO 0.27 -0.04 -0.19 0.29 -1.33 0.00 0.00 177.39 176.39 3hc8 n LYS 555 N -1.60 -1.37 0.00 3.23 5.02 -0.26 -4.88 118.16 118.31 3hc8 n LYS 555 Ca 0.07 1.13 0.09 0.00 -2.02 0.00 0.00 58.31 57.58 3hc8 n LYS 555 Cb 0.34 -5.49 0.42 0.00 -0.02 0.00 0.00 35.03 30.28 3hc8 n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hc8 n ILE 556 N -2.72 0.63 1.03 -0.18 -5.35 -1.16 -2.38 119.36 109.23 3hc8 n ILE 556 Ca -0.20 0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.57 3hc8 n ILE 556 Cb 0.64 -0.83 0.50 0.00 -1.74 0.00 0.00 39.64 38.21 3hc8 n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3hc8 n THR 557 N -1.45 0.00 -2.77 7.28 -1.04 -1.26 -4.22 114.28 110.82 3hc8 n THR 557 Ca 0.06 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 3hc8 n THR 557 Cb 0.21 -0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.45 3hc8 n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hc8 s ASP 558 N -2.97 7.20 0.43 8.00 1.01 -1.00 -4.64 116.67 124.71 3hc8 s ASP 558 Ca 0.14 1.46 0.10 0.00 0.71 0.00 0.00 52.55 54.96 3hc8 s ASP 558 Cb 0.19 -2.52 0.95 0.00 1.01 0.00 0.00 42.92 42.54 3hc8 s ASP 558 CO 0.58 -0.34 2.06 -0.26 0.21 0.00 0.00 175.17 177.42 3hc8 h PHE 559 N 7.01 0.42 -0.03 4.23 0.04 -1.89 -2.66 116.94 124.06 3hc8 h PHE 559 Ca -0.35 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.43 3hc8 h PHE 559 Cb 1.17 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3hc8 h PHE 559 CO 0.70 0.25 0.00 0.43 -0.60 0.00 0.00 178.31 179.09 3hc8 n SER 560 N -4.48 0.28 -4.42 2.17 7.64 -1.26 -4.93 113.62 108.62 3hc8 n SER 560 Ca 0.03 -1.43 -0.46 0.00 1.01 0.00 0.00 58.87 58.02 3hc8 n SER 560 Cb 0.11 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 3hc8 n SER 560 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hc8 n PHE 561 N -0.62 -0.45 -4.50 1.43 7.35 -1.01 -4.80 117.46 114.87 3hc8 n PHE 561 Ca 0.15 0.84 -0.21 0.00 -0.76 0.00 0.00 57.45 57.48 3hc8 n PHE 561 Cb 0.11 -1.98 -0.15 0.00 0.35 0.00 0.00 39.48 37.81 3hc8 n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hc8 s SER 562 N -0.93 1.37 0.00 -2.13 0.15 -1.26 -5.03 113.70 105.87 3hc8 s SER 562 Ca 0.62 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.29 3hc8 s SER 562 Cb -0.82 -0.24 0.10 0.00 -1.71 0.00 0.00 66.02 63.35 3hc8 s SER 562 CO 0.58 0.12 1.13 -0.90 1.20 0.00 0.00 173.24 175.37 3hc8 n ASP 563 N 2.98 0.96 -0.29 5.45 5.68 -1.26 -4.60 116.55 125.47 3hc8 n ASP 563 Ca -0.16 -0.82 0.18 0.00 -0.50 0.00 0.00 54.79 53.49 3hc8 n ASP 563 Cb 0.55 0.64 0.45 0.00 -1.14 0.00 0.00 41.12 41.62 3hc8 n ASP 563 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3hc8 h PHE 564 N 0.37 0.72 -0.05 2.11 3.57 -2.01 -0.08 116.94 121.57 3hc8 h PHE 564 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hc8 h PHE 564 Cb 0.53 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3hc8 h PHE 564 CO 0.00 0.17 0.00 0.39 -2.23 0.00 0.00 178.31 176.64 3hc8 n GLU 565 N -4.60 1.74 -3.74 1.11 4.71 -1.26 -4.90 120.64 113.70 3hc8 n GLU 565 Ca 0.21 -1.08 -0.36 0.00 -0.01 0.00 0.00 57.16 55.92 3hc8 n GLU 565 Cb 0.68 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.59 3hc8 n GLU 565 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hc8 s LEU 566 N -1.92 4.39 0.72 -4.62 1.43 -0.05 -5.09 118.68 113.54 3hc8 s LEU 566 Ca 0.36 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 3hc8 s LEU 566 Cb 0.20 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.91 3hc8 s LEU 566 CO 0.32 0.30 1.08 -0.94 0.23 0.00 0.00 176.35 177.34 3hc8 s SER 567 N -1.45 5.29 0.22 2.29 1.04 -1.26 -4.88 113.70 114.95 3hc8 s SER 567 Ca 0.24 1.29 -0.08 0.00 0.48 0.00 0.00 55.95 57.88 3hc8 s SER 567 Cb -0.13 -2.12 0.32 0.00 0.10 0.00 0.00 66.02 64.19 3hc8 s SER 567 CO 0.13 -1.46 1.76 0.44 0.98 0.00 0.00 173.24 175.09 3hc8 h ASP 568 N -0.73 0.34 -0.54 7.02 3.32 -1.98 -0.60 116.42 123.25 3hc8 h ASP 568 Ca -0.45 0.07 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3hc8 h ASP 568 Cb 1.24 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 3hc8 h ASP 568 CO 0.61 0.19 0.20 0.25 -1.72 0.00 0.00 179.24 178.77 3hc8 h LEU 569 N 0.50 0.21 -1.05 1.55 5.85 -1.99 -1.40 115.31 118.98 3hc8 h LEU 569 Ca 0.33 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 3hc8 h LEU 569 Cb 0.39 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3hc8 h LEU 569 CO -0.29 0.14 0.27 -0.33 -0.34 0.00 0.00 178.44 177.89 3hc8 h GLU 570 N 0.38 0.95 -0.34 1.25 5.08 -1.63 -0.22 114.58 120.06 3hc8 h GLU 570 Ca 0.26 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3hc8 h GLU 570 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hc8 h GLU 570 CO -0.26 0.76 0.05 1.79 -1.00 0.00 0.00 179.01 180.35 3hc8 h THR 571 N 0.93 1.18 -0.26 1.13 1.35 -0.16 -0.97 112.91 116.11 3hc8 h THR 571 Ca 0.22 -0.65 -0.15 0.00 -0.55 0.00 0.00 66.41 65.28 3hc8 h THR 571 Cb 0.16 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3hc8 h THR 571 CO -0.02 0.23 -0.42 0.00 -0.25 0.00 0.00 175.52 175.06 3hc8 h ALA 572 N 1.57 0.40 -0.77 6.62 0.00 -0.62 -1.80 119.26 124.64 3hc8 h ALA 572 Ca 0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hc8 h ALA 572 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hc8 h ALA 572 CO 0.00 0.52 0.47 -0.07 0.00 0.00 0.00 179.25 180.17 3hc8 h LEU 573 N 0.48 0.93 -0.56 0.00 3.38 -0.66 -1.54 115.31 117.33 3hc8 h LEU 573 Ca 0.02 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hc8 h LEU 573 Cb 1.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3hc8 h LEU 573 CO 0.10 0.72 0.31 0.00 0.09 0.00 0.00 178.44 179.65 3hc8 h THR 575 N 0.59 0.89 -0.72 0.00 2.02 -0.75 -0.34 112.91 114.60 3hc8 h THR 575 Ca 0.24 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.54 3hc8 h THR 575 Cb 0.12 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 3hc8 h THR 575 CO -0.15 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.46 3hc8 h ILE 576 N -0.11 0.75 -0.55 3.11 2.04 -0.97 -0.80 117.51 120.98 3hc8 h ILE 576 Ca 0.00 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3hc8 h ILE 576 Cb 0.10 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3hc8 h ILE 576 CO -0.01 0.09 0.22 -0.09 0.00 0.00 0.00 178.15 178.36 3hc8 h ARG 577 N 0.51 0.80 -0.22 2.37 9.65 -0.70 -0.65 114.38 126.14 3hc8 h ARG 577 Ca 0.38 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 59.14 3hc8 h ARG 577 Cb 0.50 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3hc8 h ARG 577 CO -0.34 0.66 0.14 0.52 2.80 0.00 0.00 179.97 183.75 3hc8 h MET 578 N 0.79 0.30 -0.79 0.20 2.86 0.34 0.46 114.93 119.10 3hc8 h MET 578 Ca 0.19 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3hc8 h MET 578 Cb 0.16 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3hc8 h MET 578 CO -0.02 0.23 0.47 0.74 1.06 0.00 0.00 176.91 179.39 3hc8 h PHE 579 N 0.28 1.05 0.13 -0.22 -1.00 -1.02 -2.54 116.94 113.62 3hc8 h PHE 579 Ca 0.08 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3hc8 h PHE 579 Cb 0.01 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.23 3hc8 h PHE 579 CO -0.05 0.71 -0.06 1.15 -1.61 0.00 0.00 178.31 178.45 3hc8 h THR 580 N 1.08 1.05 0.00 -1.55 2.02 -0.84 -1.75 112.91 112.92 3hc8 h THR 580 Ca 0.28 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3hc8 h THR 580 Cb -0.02 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3hc8 h THR 580 CO -0.05 0.23 0.00 0.47 0.37 0.00 0.00 175.52 176.54 3hc8 n ASP 581 N -4.95 0.01 -0.88 4.18 9.92 0.13 -1.28 116.55 123.69 3hc8 n ASP 581 Ca -0.09 0.50 0.08 0.00 -0.53 0.00 0.00 54.79 54.76 3hc8 n ASP 581 Cb 0.26 -0.50 0.22 0.00 -0.64 0.00 0.00 41.12 40.45 3hc8 n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hc8 n LEU 582 N -1.51 2.55 -2.17 0.64 4.77 -0.96 -4.94 117.00 115.38 3hc8 n LEU 582 Ca 0.05 -1.26 -0.19 0.00 -0.03 0.00 0.00 56.01 54.58 3hc8 n LEU 582 Cb 0.24 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3hc8 n LEU 582 CO 0.19 0.63 -0.24 0.59 -1.33 0.00 0.00 177.39 177.23 3hc8 n ASN 583 N 0.89 -5.49 0.02 -1.43 4.13 -0.40 -4.90 115.26 108.08 3hc8 n ASN 583 Ca 0.16 -0.01 -0.16 0.00 1.68 0.00 0.00 54.58 56.25 3hc8 n ASN 583 Cb 0.41 -4.54 -0.14 0.00 -1.54 0.00 0.00 39.78 33.97 3hc8 n ASN 583 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3hc8 h LEU 584 N 0.00 0.28 -0.55 3.41 3.38 -1.48 -2.17 115.31 118.17 3hc8 h LEU 584 Ca -0.45 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 56.86 3hc8 h LEU 584 Cb 1.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hc8 h LEU 584 CO 0.53 1.44 -0.51 0.58 0.09 0.00 0.00 178.44 180.57 3hc8 h VAL 585 N 0.05 1.32 0.35 1.22 2.07 -1.83 -2.48 116.25 116.95 3hc8 h VAL 585 Ca -0.31 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 3hc8 h VAL 585 Cb 2.02 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3hc8 h VAL 585 CO 0.11 0.54 -0.17 -0.61 0.02 0.00 0.00 177.57 177.47 3hc8 h GLN 586 N 0.44 -0.45 -0.85 1.57 5.75 -1.89 -2.52 115.11 117.16 3hc8 h GLN 586 Ca 0.02 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.76 3hc8 h GLN 586 Cb 1.04 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 29.56 3hc8 h GLN 586 CO 0.10 -0.30 0.24 -0.97 -2.65 0.00 0.00 178.83 175.24 3hc8 h ASN 587 N -1.09 0.04 -0.32 -0.69 -0.73 -1.45 -2.50 115.58 108.83 3hc8 h ASN 587 Ca -0.05 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3hc8 h ASN 587 Cb 0.36 0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.19 3hc8 h ASN 587 CO 0.08 -0.11 0.00 0.49 -0.37 0.00 0.00 177.43 177.52 3hc8 n PHE 588 N -5.19 0.62 -3.86 0.67 3.72 -0.93 -5.00 117.46 107.49 3hc8 n PHE 588 Ca 0.20 -0.62 -0.29 0.00 -0.05 0.00 0.00 57.45 56.69 3hc8 n PHE 588 Cb 0.63 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3hc8 n PHE 588 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hc8 n GLN 589 N 0.20 -2.43 -2.73 -1.08 6.02 -0.94 -4.59 117.38 111.83 3hc8 n GLN 589 Ca 0.15 0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 3hc8 n GLN 589 Cb 0.57 -4.28 -0.04 0.00 1.02 0.00 0.00 30.24 27.52 3hc8 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hc8 s MET 590 N -6.40 4.65 0.25 -1.09 -1.94 -0.98 -4.81 119.30 108.99 3hc8 s MET 590 Ca 0.19 1.43 -0.30 0.00 -1.71 0.00 0.00 55.69 55.31 3hc8 s MET 590 Cb -0.08 -3.40 -0.09 0.00 2.01 0.00 0.00 34.83 33.27 3hc8 s MET 590 CO 0.88 0.14 1.25 0.15 -0.01 0.00 0.00 175.02 177.44 3hc8 s LYS 591 N 0.28 4.44 0.18 2.03 1.02 -1.26 -4.94 119.74 121.49 3hc8 s LYS 591 Ca 0.48 2.03 -0.13 0.00 0.02 0.00 0.00 55.97 58.38 3hc8 s LYS 591 Cb -0.23 -3.16 0.13 0.00 -0.52 0.00 0.00 37.83 34.05 3hc8 s LYS 591 CO 0.29 -0.12 1.82 1.25 -0.92 0.00 0.00 175.35 177.67 3hc8 h HIS 592 N 4.43 0.62 -0.13 3.18 -0.00 -1.99 -1.66 115.15 119.60 3hc8 h HIS 592 Ca -0.46 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 59.80 3hc8 h HIS 592 Cb 1.22 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 3hc8 h HIS 592 CO 0.59 0.35 -0.48 1.49 -0.00 0.00 0.00 177.93 179.89 3hc8 h GLU 593 N 0.66 0.34 -0.30 5.26 4.81 -1.94 -1.40 114.58 122.01 3hc8 h GLU 593 Ca 0.23 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3hc8 h GLU 593 Cb 0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hc8 h GLU 593 CO -0.10 0.75 0.01 0.28 -0.73 0.00 0.00 179.01 179.22 3hc8 h VAL 594 N 0.28 1.25 -0.68 0.32 2.07 -1.69 -1.04 116.25 116.76 3hc8 h VAL 594 Ca 0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hc8 h VAL 594 Cb 0.95 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3hc8 h VAL 594 CO 0.08 0.30 0.43 0.25 0.02 0.00 0.00 177.57 178.65 3hc8 h LEU 595 N 0.32 0.79 -0.25 2.57 5.85 -1.13 -1.28 115.31 122.19 3hc8 h LEU 595 Ca 0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hc8 h LEU 595 Cb 0.42 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hc8 h LEU 595 CO 0.01 0.60 0.12 0.00 -0.34 0.00 0.00 178.44 178.83 3hc8 h ARG 597 N 0.27 1.05 -0.37 0.00 2.43 -0.98 -2.00 114.38 114.79 3hc8 h ARG 597 Ca 0.09 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hc8 h ARG 597 Cb 0.12 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3hc8 h ARG 597 CO -0.01 0.74 0.14 2.35 -1.51 0.00 0.00 179.97 181.68 3hc8 h TRP 598 N 1.05 0.57 -0.18 2.20 7.01 -0.97 0.16 115.95 125.79 3hc8 h TRP 598 Ca 0.27 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.25 3hc8 h TRP 598 Cb -0.03 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3hc8 h TRP 598 CO -0.01 0.53 0.04 0.82 -2.79 0.00 0.00 178.44 177.03 3hc8 h ILE 599 N 0.45 0.93 -0.20 2.65 2.04 -0.98 0.19 117.51 122.59 3hc8 h ILE 599 Ca 0.12 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 3hc8 h ILE 599 Cb 0.21 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hc8 h ILE 599 CO -0.01 0.02 -0.21 -0.07 0.00 0.00 0.00 178.15 177.89 3hc8 h LEU 600 N 0.12 0.35 -0.25 1.44 3.38 -1.15 -0.28 115.31 118.90 3hc8 h LEU 600 Ca 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3hc8 h LEU 600 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hc8 h LEU 600 CO -0.10 0.57 -0.00 0.28 0.09 0.00 0.00 178.44 179.28 3hc8 h SER 601 N 0.32 0.44 -0.16 -0.43 0.02 -0.19 -1.07 113.55 112.49 3hc8 h SER 601 Ca 0.06 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3hc8 h SER 601 Cb 0.55 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3hc8 h SER 601 CO 0.04 0.64 -0.09 0.58 -1.14 0.00 0.00 176.83 176.86 3hc8 h VAL 602 N 0.22 0.73 -0.54 2.27 2.07 -0.30 -2.70 116.25 118.01 3hc8 h VAL 602 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3hc8 h VAL 602 Cb 0.42 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3hc8 h VAL 602 CO 0.01 0.00 0.31 0.50 0.02 0.00 0.00 177.57 178.42 3hc8 h LYS 603 N -0.08 0.60 0.00 1.57 3.64 -0.95 -2.00 116.57 119.35 3hc8 h LYS 603 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hc8 h LYS 603 Cb 0.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3hc8 h LYS 603 CO -0.21 0.40 0.00 1.57 -2.27 0.00 0.00 179.45 178.94 3hc8 h LYS 604 N 0.62 0.00 -0.64 1.90 2.10 -1.11 -2.85 116.57 116.59 3hc8 h LYS 604 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3hc8 h LYS 604 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3hc8 h LYS 604 CO -0.11 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.43 3hc8 n ASN 605 N -2.45 4.54 -4.89 7.07 3.02 -0.75 -4.79 115.26 117.01 3hc8 n ASN 605 Ca 0.02 -2.57 -0.32 0.00 -0.03 0.00 0.00 54.58 51.68 3hc8 n ASN 605 Cb 0.28 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 3hc8 n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hc8 s TYR 606 N -2.13 3.48 0.03 3.10 2.02 -1.08 -0.11 117.35 122.67 3hc8 s TYR 606 Ca 0.45 0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 57.18 3hc8 s TYR 606 Cb 0.31 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 3hc8 s TYR 606 CO 0.17 0.60 0.69 1.03 -1.57 0.00 0.00 175.55 176.47 3hc8 s ARG 607 N -2.28 4.42 0.07 -0.62 0.52 -1.26 -4.86 118.95 114.94 3hc8 s ARG 607 Ca 0.31 0.93 0.27 0.00 -0.52 0.00 0.00 55.73 56.72 3hc8 s ARG 607 Cb -0.13 -3.35 1.06 0.00 0.52 0.00 0.00 34.95 33.06 3hc8 s ARG 607 CO 0.24 0.34 1.84 1.63 0.02 0.00 0.00 175.30 179.37 3hc8 n LYS 608 N 2.68 0.08 -0.59 3.54 5.02 -1.26 -3.44 118.16 124.20 3hc8 n LYS 608 Ca -0.05 0.10 0.10 0.00 -2.02 0.00 0.00 58.31 56.44 3hc8 n LYS 608 Cb 0.50 -1.60 0.36 0.00 -0.02 0.00 0.00 35.03 34.27 3hc8 n LYS 608 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3hc8 n ASN 609 N -1.75 4.67 -4.46 4.39 0.23 -1.26 -4.86 115.26 112.22 3hc8 n ASN 609 Ca 0.06 -2.39 -0.36 0.00 -0.53 0.00 0.00 54.58 51.36 3hc8 n ASN 609 Cb 0.35 -0.57 -0.12 0.00 -2.08 0.00 0.00 39.78 37.35 3hc8 n ASN 609 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3hc8 s VAL 610 N -1.75 4.25 0.18 3.53 1.01 -1.22 -5.02 120.40 121.38 3hc8 s VAL 610 Ca 0.51 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 3hc8 s VAL 610 Cb 0.32 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.83 3hc8 s VAL 610 CO 0.26 0.37 1.75 0.00 0.00 0.00 0.00 175.10 177.49 3hc8 h ALA 611 N 7.90 0.81 0.00 5.51 0.00 -1.89 -3.40 119.26 128.19 3hc8 h ALA 611 Ca -0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3hc8 h ALA 611 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hc8 h ALA 611 CO 0.60 0.40 -1.11 0.98 0.00 0.00 0.00 179.25 180.11 3hc8 n TYR 612 N -4.47 0.00 -1.78 0.00 9.36 -1.26 -4.82 117.16 114.19 3hc8 n TYR 612 Ca 0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.84 3hc8 n TYR 612 Cb 0.15 -0.28 -0.00 0.00 -0.63 0.00 0.00 39.34 38.57 3hc8 n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hc8 n HIS 613 N -3.58 3.41 -4.21 2.98 8.25 -1.26 -4.24 115.22 116.56 3hc8 n HIS 613 Ca -0.14 -2.96 -0.10 0.00 -0.26 0.00 0.00 57.72 54.26 3hc8 n HIS 613 Cb 0.47 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.08 3hc8 n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hc8 n ASN 614 N 5.68 1.40 -0.14 0.41 2.04 -1.26 -4.56 115.26 118.83 3hc8 n ASN 614 Ca 0.52 -1.82 0.04 0.00 -0.44 0.00 0.00 54.58 52.89 3hc8 n ASN 614 Cb 0.38 0.33 0.34 0.00 -2.53 0.00 0.00 39.78 38.30 3hc8 n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3hc8 h TRP 615 N 1.22 0.74 -0.40 -2.53 2.91 -1.86 -2.01 115.95 114.01 3hc8 h TRP 615 Ca -0.13 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.84 3hc8 h TRP 615 Cb 0.46 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 3hc8 h TRP 615 CO 0.00 0.43 -0.05 0.00 -1.03 0.00 0.00 178.44 177.80 3hc8 h ARG 616 N 0.77 0.66 -0.16 2.65 2.47 -1.97 0.19 114.38 119.00 3hc8 h ARG 616 Ca 0.26 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 3hc8 h ARG 616 Cb 0.07 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3hc8 h ARG 616 CO -0.07 0.72 -0.02 1.25 0.56 0.00 0.00 179.97 182.40 3hc8 h HIS 617 N 0.62 0.33 -0.46 3.04 2.76 -1.56 0.31 115.15 120.19 3hc8 h HIS 617 Ca 0.12 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3hc8 h HIS 617 Cb 0.46 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 3hc8 h HIS 617 CO 0.02 0.55 0.16 0.00 -1.30 0.00 0.00 177.93 177.36 3hc8 h ALA 618 N 0.73 0.54 -0.35 5.26 0.00 -1.14 0.18 119.26 124.49 3hc8 h ALA 618 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hc8 h ALA 618 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hc8 h ALA 618 CO 0.01 -0.24 0.21 0.35 0.00 0.00 0.00 179.25 179.59 3hc8 h PHE 619 N 0.32 0.46 -0.72 0.00 3.57 -0.52 -0.73 116.94 119.33 3hc8 h PHE 619 Ca 0.22 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3hc8 h PHE 619 Cb 0.22 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3hc8 h PHE 619 CO -0.16 0.34 0.34 -0.91 -2.23 0.00 0.00 178.31 175.69 3hc8 h ASN 620 N 0.45 0.93 -0.04 0.41 -0.26 -0.56 0.18 115.58 116.70 3hc8 h ASN 620 Ca 0.13 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hc8 h ASN 620 Cb 0.01 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 3hc8 h ASN 620 CO -0.02 0.79 0.02 0.74 -1.06 0.00 0.00 177.43 177.90 3hc8 h THR 621 N 1.02 1.02 -0.67 2.81 2.02 -0.11 -1.15 112.91 117.85 3hc8 h THR 621 Ca 0.25 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.41 3hc8 h THR 621 Cb 0.12 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3hc8 h THR 621 CO -0.03 0.02 0.41 0.00 0.37 0.00 0.00 175.52 176.28 3hc8 h ALA 622 N 1.00 0.88 -0.81 6.16 0.00 -0.86 -1.82 119.26 123.81 3hc8 h ALA 622 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hc8 h ALA 622 Cb 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hc8 h ALA 622 CO -0.00 0.15 0.36 0.37 0.00 0.00 0.00 179.25 180.13 3hc8 h GLN 623 N 0.78 1.18 -0.57 0.00 -0.00 -0.75 -0.43 115.11 115.33 3hc8 h GLN 623 Ca 0.28 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.65 58.67 3hc8 h GLN 623 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.31 3hc8 h GLN 623 CO -0.12 0.93 0.09 0.00 0.00 0.00 0.00 178.83 179.73 3hc8 h MET 625 N 0.87 0.22 -0.29 0.00 1.85 -0.82 0.30 114.93 117.06 3hc8 h MET 625 Ca 0.18 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.29 3hc8 h MET 625 Cb 0.38 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 3hc8 h MET 625 CO 0.01 0.15 0.10 0.35 -0.40 0.00 0.00 176.91 177.11 3hc8 h PHE 626 N 0.23 0.17 -0.33 1.39 3.57 -0.71 0.98 116.94 122.25 3hc8 h PHE 626 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3hc8 h PHE 626 Cb 0.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3hc8 h PHE 626 CO -0.12 0.08 0.17 0.00 -2.23 0.00 0.00 178.31 176.20 3hc8 h ALA 627 N 1.18 0.42 -0.73 2.41 0.00 -0.87 0.17 119.26 121.85 3hc8 h ALA 627 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hc8 h ALA 627 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hc8 h ALA 627 CO -0.13 -0.02 0.48 0.00 0.00 0.00 0.00 179.25 179.57 3hc8 h ALA 628 N 1.02 0.93 -0.24 0.00 0.00 -0.16 -0.40 119.26 120.41 3hc8 h ALA 628 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hc8 h ALA 628 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hc8 h ALA 628 CO -0.02 0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 179.46 3hc8 h LEU 629 N 0.97 0.45 0.00 0.00 3.38 -0.41 -2.49 115.31 117.22 3hc8 h LEU 629 Ca 0.27 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hc8 h LEU 629 Cb -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3hc8 h LEU 629 CO -0.06 0.69 0.00 0.29 0.09 0.00 0.00 178.44 179.44 3hc8 n LYS 630 N -4.59 0.00 0.12 1.13 4.76 0.58 -1.62 118.16 118.53 3hc8 n LYS 630 Ca -0.04 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.44 3hc8 n LYS 630 Cb 0.27 -0.47 0.43 0.00 -1.84 0.00 0.00 35.03 33.42 3hc8 n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hc8 h ALA 631 N -2.00 1.60 -0.00 7.82 0.00 -1.35 -1.35 119.26 123.98 3hc8 h ALA 631 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hc8 h ALA 631 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hc8 h ALA 631 CO 0.00 0.30 -0.09 0.41 0.00 0.00 0.00 179.25 179.86 3hc8 n GLY 632 N -1.05 -1.02 2.62 0.00 0.00 -0.38 -4.75 105.19 100.60 3hc8 n GLY 632 Ca -0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 3hc8 n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hc8 n LYS 633 N -1.04 -2.83 0.15 1.61 5.02 -0.51 -4.30 118.16 116.26 3hc8 n LYS 633 Ca 0.14 0.98 0.05 0.00 -2.02 0.00 0.00 58.31 57.46 3hc8 n LYS 633 Cb 0.27 -5.72 0.05 0.00 -0.02 0.00 0.00 35.03 29.61 3hc8 n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hc8 h ILE 634 N -0.49 0.55 -0.89 -0.18 1.08 -1.07 -3.31 117.51 113.20 3hc8 h ILE 634 Ca -0.51 -1.81 0.15 0.00 -0.39 0.00 0.00 64.86 62.30 3hc8 h ILE 634 Cb 1.37 2.22 -0.09 0.00 -3.07 0.00 0.00 36.82 37.25 3hc8 h ILE 634 CO 0.58 0.32 0.48 -0.61 -0.69 0.00 0.00 178.15 178.23 3hc8 h GLN 635 N 0.00 0.67 -0.01 2.37 4.15 -1.54 -0.92 115.11 119.84 3hc8 h GLN 635 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hc8 h GLN 635 Cb 1.28 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3hc8 h GLN 635 CO 0.04 0.44 0.02 -0.91 -1.93 0.00 0.00 178.83 176.49 3hc8 h ASN 636 N 0.69 0.00 0.01 -0.69 2.35 -1.82 -2.05 115.58 114.08 3hc8 h ASN 636 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3hc8 h ASN 636 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hc8 h ASN 636 CO -0.35 0.00 -0.30 0.29 -1.65 0.00 0.00 177.43 175.42 3hc8 n LYS 637 N -3.39 1.47 -4.36 0.81 5.02 -0.35 -4.97 118.16 112.38 3hc8 n LYS 637 Ca -0.03 -1.16 -0.20 0.00 -2.02 0.00 0.00 58.31 54.89 3hc8 n LYS 637 Cb 0.09 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 3hc8 n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hc8 s LEU 638 N -2.33 2.52 0.76 -0.35 1.43 -0.77 -5.04 118.68 114.90 3hc8 s LEU 638 Ca 0.23 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 3hc8 s LEU 638 Cb 0.19 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.67 3hc8 s LEU 638 CO 0.48 -0.09 1.12 0.42 0.23 0.00 0.00 176.35 178.51 3hc8 s THR 639 N -2.60 2.51 0.19 5.49 -4.23 -1.26 -4.93 115.64 110.81 3hc8 s THR 639 Ca 0.22 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 3hc8 s THR 639 Cb -0.03 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.78 3hc8 s THR 639 CO 0.08 -0.18 1.79 0.44 -0.54 0.00 0.00 174.62 176.21 3hc8 h ASP 640 N -0.84 0.88 -0.56 3.99 3.32 -1.97 -2.28 116.42 118.95 3hc8 h ASP 640 Ca -0.45 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.49 3hc8 h ASP 640 Cb 1.30 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3hc8 h ASP 640 CO 0.64 0.74 0.37 -0.07 -1.72 0.00 0.00 179.24 179.21 3hc8 h LEU 641 N 0.94 0.64 -0.70 1.55 3.38 -1.99 0.05 115.31 119.18 3hc8 h LEU 641 Ca 0.24 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hc8 h LEU 641 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hc8 h LEU 641 CO -0.03 0.46 0.43 -0.33 0.09 0.00 0.00 178.44 179.06 3hc8 h GLU 642 N 0.76 0.95 -0.23 1.13 5.08 -1.89 -0.13 114.58 120.25 3hc8 h GLU 642 Ca 0.21 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3hc8 h GLU 642 Cb -0.08 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3hc8 h GLU 642 CO -0.05 0.67 0.05 0.82 -1.00 0.00 0.00 179.01 179.50 3hc8 h ILE 643 N 0.96 1.21 -0.29 3.13 2.04 -1.15 0.11 117.51 123.53 3hc8 h ILE 643 Ca 0.25 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3hc8 h ILE 643 Cb -0.04 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3hc8 h ILE 643 CO -0.05 0.22 -0.10 0.25 0.00 0.00 0.00 178.15 178.47 3hc8 h LEU 644 N 0.19 -0.35 -0.50 1.44 5.85 -0.75 -0.24 115.31 120.94 3hc8 h LEU 644 Ca 0.07 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3hc8 h LEU 644 Cb 0.28 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3hc8 h LEU 644 CO 0.00 -0.13 0.11 0.00 -0.34 0.00 0.00 178.44 178.08 3hc8 h ALA 645 N 1.23 0.67 -0.75 1.25 0.00 -0.81 -1.92 119.26 118.92 3hc8 h ALA 645 Ca 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hc8 h ALA 645 Cb 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hc8 h ALA 645 CO -0.32 0.37 0.48 -0.07 0.00 0.00 0.00 179.25 179.71 3hc8 h LEU 646 N 0.70 0.80 -0.18 0.00 3.38 -0.43 0.11 115.31 119.71 3hc8 h LEU 646 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hc8 h LEU 646 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hc8 h LEU 646 CO 0.00 0.56 0.02 0.25 0.09 0.00 0.00 178.44 179.37 3hc8 h LEU 647 N 0.95 0.29 -0.38 1.67 5.85 -0.84 -0.25 115.31 122.59 3hc8 h LEU 647 Ca 0.29 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hc8 h LEU 647 Cb -0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3hc8 h LEU 647 CO -0.09 0.49 0.25 0.40 -0.34 0.00 0.00 178.44 179.15 3hc8 h ILE 648 N 0.07 1.09 -0.55 4.05 2.04 -1.25 -2.17 117.51 120.79 3hc8 h ILE 648 Ca 0.05 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3hc8 h ILE 648 Cb 0.33 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3hc8 h ILE 648 CO 0.01 0.09 0.26 0.00 0.00 0.00 0.00 178.15 178.50 3hc8 h ALA 649 N 1.14 0.71 -0.19 1.87 0.00 -0.66 -0.67 119.26 121.46 3hc8 h ALA 649 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hc8 h ALA 649 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hc8 h ALA 649 CO -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.48 3hc8 h ALA 650 N 1.09 0.15 -0.49 0.00 0.00 -0.85 0.54 119.26 119.71 3hc8 h ALA 650 Ca 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hc8 h ALA 650 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hc8 h ALA 650 CO -0.02 -0.45 0.14 -0.07 0.00 0.00 0.00 179.25 178.85 3hc8 h LEU 651 N 0.04 0.68 -0.67 0.00 3.38 -1.25 -3.28 115.31 114.22 3hc8 h LEU 651 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hc8 h LEU 651 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hc8 h LEU 651 CO -0.16 0.66 -0.45 -1.20 0.09 0.00 0.00 178.44 177.37 3hc8 n SER 652 N -4.31 1.48 0.07 -0.43 7.64 -0.27 -4.67 113.62 113.14 3hc8 n SER 652 Ca 0.04 -1.17 0.12 0.00 1.01 0.00 0.00 58.87 58.86 3hc8 n SER 652 Cb 0.20 0.39 0.45 0.00 -1.01 0.00 0.00 64.21 64.25 3hc8 n SER 652 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hc8 n HIS 653 N -0.47 0.53 -1.37 1.43 1.44 0.13 -2.16 115.22 114.75 3hc8 n HIS 653 Ca 0.10 0.18 0.08 0.00 -2.01 0.00 0.00 57.72 56.06 3hc8 n HIS 653 Cb 0.40 -0.79 0.16 0.00 0.12 0.00 0.00 29.99 29.88 3hc8 n HIS 653 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hc8 n ASP 654 N -1.96 1.94 -4.64 4.39 8.00 -1.26 -4.84 116.55 118.18 3hc8 n ASP 654 Ca 0.04 -3.31 -0.47 0.00 0.71 0.00 0.00 54.79 51.75 3hc8 n ASP 654 Cb 0.30 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 3hc8 n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hc8 n LEU 655 N -1.18 2.57 -3.32 0.64 4.77 -0.92 -1.53 117.00 118.03 3hc8 n LEU 655 Ca 0.16 1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 57.01 3hc8 n LEU 655 Cb 0.68 -1.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.46 3hc8 n LEU 655 CO -0.01 -0.64 0.06 -0.67 -1.33 0.00 0.00 177.39 174.80 3hc8 n ASP 656 N 2.71 -5.62 -4.71 -1.43 2.03 0.85 -4.37 116.55 106.01 3hc8 n ASP 656 Ca 0.16 -0.42 -0.42 0.00 0.52 0.00 0.00 54.79 54.62 3hc8 n ASP 656 Cb 0.27 -4.51 -0.03 0.00 -0.72 0.00 0.00 41.12 36.12 3hc8 n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hc8 s HIS 657 N -3.18 2.93 -1.97 -0.67 5.65 -0.58 -4.90 115.29 112.57 3hc8 s HIS 657 Ca 0.43 0.62 0.30 0.00 0.25 0.00 0.00 55.06 56.67 3hc8 s HIS 657 Cb -0.20 -3.88 1.56 0.00 -1.18 0.00 0.00 32.58 28.88 3hc8 s HIS 657 CO 0.53 -3.29 2.04 -0.35 -0.65 0.00 0.00 174.74 173.03 3hc8 n PRO 658 N 4.42 1.02 -0.81 2.88 -0.04 -1.26 -4.57 135.00 136.64 3hc8 n PRO 658 Ca 0.14 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3hc8 n PRO 658 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3hc8 n PRO 658 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hc8 n GLY 659 N 1.12 0.59 3.29 0.55 0.00 -1.26 -4.94 105.19 104.54 3hc8 n GLY 659 Ca 0.20 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3hc8 n GLY 659 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hc8 s VAL 660 N -2.00 1.60 0.74 1.61 -7.23 -1.26 -4.52 120.40 109.33 3hc8 s VAL 660 Ca 0.00 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3hc8 s VAL 660 Cb 0.00 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.26 3hc8 s VAL 660 CO 0.00 -0.36 1.12 -0.94 -0.31 0.00 0.00 175.10 174.61 3hc8 s SER 661 N -2.58 5.16 0.27 4.85 1.04 -1.26 -4.92 113.70 116.26 3hc8 s SER 661 Ca 0.13 1.02 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 3hc8 s SER 661 Cb -0.05 -1.73 0.58 0.00 0.10 0.00 0.00 66.02 64.93 3hc8 s SER 661 CO 0.05 -1.51 1.69 0.78 0.98 0.00 0.00 173.24 175.23 3hc8 h ASN 662 N -0.78 0.17 -0.80 7.02 -0.26 -2.00 -2.19 115.58 116.74 3hc8 h ASN 662 Ca -0.45 0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.41 3hc8 h ASN 662 Cb 1.28 0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 38.66 3hc8 h ASN 662 CO 0.64 -0.01 0.40 1.56 -1.06 0.00 0.00 177.43 178.96 3hc8 h GLN 663 N 0.34 1.15 -0.45 0.81 7.50 -1.97 -0.82 115.11 121.67 3hc8 h GLN 663 Ca 0.48 -0.16 0.03 0.00 0.50 0.00 0.00 58.65 59.51 3hc8 h GLN 663 Cb 0.86 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 28.14 3hc8 h GLN 663 CO -0.52 0.88 0.24 0.35 -1.50 0.00 0.00 178.83 178.28 3hc8 h PHE 664 N 1.15 0.44 -0.52 2.96 3.04 -1.77 0.65 116.94 122.89 3hc8 h PHE 664 Ca 0.28 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.15 3hc8 h PHE 664 Cb 0.09 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3hc8 h PHE 664 CO 0.01 0.23 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.39 3hc8 h LEU 665 N 0.48 0.92 0.31 0.59 3.38 -1.07 0.19 115.31 120.10 3hc8 h LEU 665 Ca 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hc8 h LEU 665 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hc8 h LEU 665 CO -0.12 1.02 -0.15 0.40 0.09 0.00 0.00 178.44 179.67 3hc8 h ILE 666 N 0.84 0.71 -0.90 1.22 2.04 -1.02 -0.34 117.51 120.06 3hc8 h ILE 666 Ca 0.14 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3hc8 h ILE 666 Cb 0.60 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3hc8 h ILE 666 CO 0.04 0.03 0.59 0.78 0.00 0.00 0.00 178.15 179.58 3hc8 h ASN 667 N -0.49 0.93 -0.29 1.72 -0.26 -0.46 -1.47 115.58 115.26 3hc8 h ASN 667 Ca -0.04 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3hc8 h ASN 667 Cb 0.37 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3hc8 h ASN 667 CO 0.07 0.62 0.00 0.35 -1.06 0.00 0.00 177.43 177.41 3hc8 n THR 668 N -4.47 0.70 -4.05 2.81 -2.24 0.02 -4.91 114.28 102.14 3hc8 n THR 668 Ca 0.13 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 3hc8 n THR 668 Cb 0.15 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 3hc8 n THR 668 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hc8 n ASN 669 N 0.36 -3.14 -4.77 3.42 3.02 -0.55 -4.91 115.26 108.68 3hc8 n ASN 669 Ca 0.11 -0.93 -0.38 0.00 -0.03 0.00 0.00 54.58 53.35 3hc8 n ASN 669 Cb 0.41 -3.23 -0.00 0.00 -0.61 0.00 0.00 39.78 36.35 3hc8 n ASN 669 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hc8 s SER 670 N -3.54 6.14 0.52 6.41 1.04 -0.16 -4.90 113.70 119.22 3hc8 s SER 670 Ca 0.55 2.40 0.19 0.00 0.48 0.00 0.00 55.95 59.57 3hc8 s SER 670 Cb -0.29 -2.61 1.31 0.00 0.10 0.00 0.00 66.02 64.53 3hc8 s SER 670 CO 0.88 -0.94 2.10 -0.33 0.98 0.00 0.00 173.24 175.94 3hc8 h GLU 671 N 2.15 0.00 -0.35 4.02 5.08 -1.91 -1.84 114.58 121.74 3hc8 h GLU 671 Ca -0.49 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3hc8 h GLU 671 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hc8 h GLU 671 CO 0.60 0.00 0.22 -0.07 -1.00 0.00 0.00 179.01 178.77 3hc8 h LEU 672 N 0.00 0.38 -1.59 1.33 3.38 -1.94 -0.83 115.31 116.05 3hc8 h LEU 672 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hc8 h LEU 672 Cb 0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hc8 h LEU 672 CO -0.00 0.28 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 3hc8 h ALA 673 N 1.14 1.67 -0.05 1.53 0.00 -1.63 -2.36 119.26 119.56 3hc8 h ALA 673 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hc8 h ALA 673 Cb -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hc8 h ALA 673 CO -0.04 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.69 3hc8 h LEU 674 N 0.25 0.10 -1.37 0.00 5.85 -1.30 -0.55 115.31 118.29 3hc8 h LEU 674 Ca 0.06 -0.43 0.18 0.00 0.84 0.00 0.00 57.88 58.52 3hc8 h LEU 674 Cb 0.18 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3hc8 h LEU 674 CO 0.00 0.51 0.59 0.24 -0.34 0.00 0.00 178.44 179.45 3hc8 h MET 675 N -0.31 0.54 -0.09 1.25 2.86 -0.82 -3.13 114.93 115.23 3hc8 h MET 675 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3hc8 h MET 675 Cb 0.48 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3hc8 h MET 675 CO 0.01 0.36 -0.05 0.66 1.06 0.00 0.00 176.91 178.94 3hc8 n TYR 676 N -4.56 0.32 -3.51 -0.22 4.01 -0.92 -4.99 117.16 107.28 3hc8 n TYR 676 Ca 0.19 -1.05 -0.26 0.00 -0.16 0.00 0.00 57.90 56.63 3hc8 n TYR 676 Cb 0.59 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.43 3hc8 n TYR 676 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hc8 n ASN 677 N -1.14 -5.28 -0.56 7.72 3.02 -0.81 -1.65 115.26 116.57 3hc8 n ASN 677 Ca 0.19 -0.53 -0.07 0.00 -0.03 0.00 0.00 54.58 54.14 3hc8 n ASN 677 Cb 0.74 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.64 3hc8 n ASN 677 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hc8 n ASP 678 N -2.68 -5.45 -4.36 6.41 8.00 -0.28 -4.97 116.55 113.21 3hc8 n ASP 678 Ca -0.01 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 3hc8 n ASP 678 Cb 0.56 -3.59 -0.14 0.00 -0.02 0.00 0.00 41.12 37.93 3hc8 n ASP 678 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hc8 s GLU 679 N -2.46 3.46 -1.43 -1.24 2.02 -0.66 -4.64 118.70 113.75 3hc8 s GLU 679 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 3hc8 s GLU 679 Cb 0.00 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.26 3hc8 s GLU 679 CO 0.00 -0.07 0.25 0.43 0.02 0.00 0.00 175.26 175.88 3hc8 n SER 680 N 4.45 -0.81 0.15 -0.19 7.64 -1.26 -4.82 113.62 118.78 3hc8 n SER 680 Ca -0.18 -1.28 -0.14 0.00 1.01 0.00 0.00 58.87 58.29 3hc8 n SER 680 Cb 0.51 -1.68 -0.08 0.00 -1.01 0.00 0.00 64.21 61.96 3hc8 n SER 680 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hc8 h VAL 681 N -2.08 0.80 -0.83 0.44 2.07 -1.90 -0.78 116.25 113.97 3hc8 h VAL 681 Ca -0.68 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hc8 h VAL 681 Cb 1.40 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3hc8 h VAL 681 CO 0.64 0.05 0.41 -0.07 0.02 0.00 0.00 177.57 178.62 3hc8 h LEU 681 N -0.42 1.07 -0.43 2.57 3.38 -1.95 -2.09 115.31 117.44 3hc8 h LEU 681 Ca -0.03 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hc8 h LEU 681 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hc8 h LEU 681 CO 0.05 0.89 -0.15 -0.33 0.09 0.00 0.00 178.44 179.00 3hc8 h GLU 682 N 1.17 0.87 -0.48 1.13 3.07 -1.83 0.43 114.58 118.94 3hc8 h GLU 682 Ca 0.29 -0.35 0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3hc8 h GLU 682 Cb 0.10 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.92 3hc8 h GLU 682 CO -0.04 0.99 0.20 0.45 -1.40 0.00 0.00 179.01 179.22 3hc8 h HIS 683 N 0.69 0.36 -0.42 4.33 3.86 -1.04 -0.66 115.15 122.27 3hc8 h HIS 683 Ca 0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3hc8 h HIS 683 Cb 0.70 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 3hc8 h HIS 683 CO 0.05 0.15 0.27 1.25 0.86 0.00 0.00 177.93 180.52 3hc8 h HIS 684 N 0.40 0.53 -0.58 2.45 -0.00 -0.59 0.20 115.15 117.57 3hc8 h HIS 684 Ca 0.22 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.68 3hc8 h HIS 684 Cb 0.19 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.36 3hc8 h HIS 684 CO -0.13 0.35 0.23 0.45 -0.00 0.00 0.00 177.93 178.83 3hc8 h HIS 685 N 0.57 0.41 -0.72 5.26 3.86 0.14 -0.44 115.15 124.24 3hc8 h HIS 685 Ca 0.15 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3hc8 h HIS 685 Cb -0.05 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3hc8 h HIS 685 CO -0.04 0.13 0.27 0.35 0.86 0.00 0.00 177.93 179.50 3hc8 h PHE 686 N 0.43 1.11 -0.33 2.45 3.57 -0.35 -0.34 116.94 123.48 3hc8 h PHE 686 Ca 0.29 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3hc8 h PHE 686 Cb 0.32 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3hc8 h PHE 686 CO -0.15 0.86 0.11 0.22 -2.23 0.00 0.00 178.31 177.12 3hc8 h ASP 687 N 1.04 0.11 -0.68 0.41 3.58 -0.29 -0.17 116.42 120.42 3hc8 h ASP 687 Ca 0.24 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.75 3hc8 h ASP 687 Cb 0.23 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3hc8 h ASP 687 CO -0.02 0.10 0.42 1.56 -2.88 0.00 0.00 179.24 178.43 3hc8 h GLN 688 N 0.25 0.81 -0.29 0.28 1.08 -0.84 -0.30 115.11 116.10 3hc8 h GLN 688 Ca 0.15 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 3hc8 h GLN 688 Cb 0.13 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3hc8 h GLN 688 CO -0.16 0.53 0.13 0.00 -0.95 0.00 0.00 178.83 178.38 3hc8 h LEU 690 N 0.28 0.27 -0.83 0.00 3.38 -0.73 -1.31 115.31 116.36 3hc8 h LEU 690 Ca 0.12 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3hc8 h LEU 690 Cb 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3hc8 h LEU 690 CO -0.10 0.30 0.45 -0.03 0.09 0.00 0.00 178.44 179.14 3hc8 h MET 691 N 0.22 0.67 -0.17 1.13 4.05 -0.85 0.15 114.93 120.13 3hc8 h MET 691 Ca 0.07 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 3hc8 h MET 691 Cb 0.10 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3hc8 h MET 691 CO -0.01 0.44 -0.24 0.82 0.23 0.00 0.00 176.91 178.16 3hc8 h ILE 692 N 0.69 1.35 -0.02 1.77 2.04 -1.15 -2.34 117.51 119.85 3hc8 h ILE 692 Ca 0.43 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3hc8 h ILE 692 Cb 0.53 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3hc8 h ILE 692 CO -0.31 0.43 0.02 -0.07 0.00 0.00 0.00 178.15 178.22 3hc8 h LEU 693 N 0.10 0.00 -0.19 1.44 3.38 -0.56 -0.84 115.31 118.64 3hc8 h LEU 693 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hc8 h LEU 693 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hc8 h LEU 693 CO 0.06 0.00 -0.43 0.59 0.09 0.00 0.00 178.44 178.75 3hc8 n ASN 694 N -4.02 0.72 -4.75 -0.43 5.03 0.45 -4.19 115.26 108.07 3hc8 n ASN 694 Ca -0.03 -0.51 -0.41 0.00 0.87 0.00 0.00 54.58 54.50 3hc8 n ASN 694 Cb 0.10 0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 39.06 3hc8 n ASN 694 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3hc8 s SER 695 N -2.82 7.18 0.09 6.41 0.01 -0.32 -4.94 113.70 119.32 3hc8 s SER 695 Ca 0.16 2.25 -0.36 0.00 1.31 0.00 0.00 55.95 59.30 3hc8 s SER 695 Cb 0.18 -2.62 -0.17 0.00 0.21 0.00 0.00 66.02 63.63 3hc8 s SER 695 CO 0.64 -0.25 1.28 -2.65 0.41 0.00 0.00 173.24 172.66 3hc8 n PRO 696 N 1.82 1.04 -0.51 12.44 -0.02 -1.26 -1.01 135.00 147.50 3hc8 n PRO 696 Ca 0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3hc8 n PRO 696 Cb 0.45 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3hc8 n PRO 696 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hc8 n GLY 697 N 2.34 1.91 0.49 -1.23 0.00 -1.26 -4.84 105.19 102.59 3hc8 n GLY 697 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3hc8 n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hc8 n ASN 698 N 0.00 2.57 -4.00 1.61 3.02 -0.18 -4.51 115.26 113.78 3hc8 n ASN 698 Ca 0.00 -1.90 -0.43 0.00 -0.03 0.00 0.00 54.58 52.23 3hc8 n ASN 698 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3hc8 n ASN 698 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hc8 n GLN 699 N 0.34 3.29 0.03 3.52 6.02 -1.24 -4.61 117.38 124.73 3hc8 n GLN 699 Ca 0.09 -3.25 0.06 0.00 -0.01 0.00 0.00 57.00 53.89 3hc8 n GLN 699 Cb 0.36 -3.13 0.28 0.00 1.02 0.00 0.00 30.24 28.77 3hc8 n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3hc8 n ILE 700 N 4.45 1.23 -0.09 5.09 -5.35 -1.26 -1.80 119.36 121.63 3hc8 n ILE 700 Ca 0.44 0.35 0.08 0.00 -0.27 0.00 0.00 62.75 63.35 3hc8 n ILE 700 Cb 0.39 -1.20 0.20 0.00 -1.74 0.00 0.00 39.64 37.29 3hc8 n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3hc8 n LEU 701 N -1.67 3.22 0.29 7.28 4.77 -1.26 -4.55 117.00 125.08 3hc8 n LEU 701 Ca 0.02 -1.82 0.15 0.00 -0.03 0.00 0.00 56.01 54.33 3hc8 n LEU 701 Cb 0.13 -0.29 0.86 0.00 -2.33 0.00 0.00 43.42 41.79 3hc8 n LEU 701 CO 0.11 0.77 1.06 0.77 -1.33 0.00 0.00 177.39 178.77 3hc8 h SER 702 N 3.11 0.00 -0.00 -1.43 4.64 -1.74 -1.79 113.55 116.34 3hc8 h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hc8 h SER 702 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3hc8 h SER 702 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3hc8 n GLY 703 N -0.96 -0.81 3.86 -0.77 0.00 -1.26 -4.89 105.19 100.37 3hc8 n GLY 703 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3hc8 n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hc8 s LEU 704 N -1.99 3.78 0.87 0.99 1.02 -0.67 -4.90 118.68 117.78 3hc8 s LEU 704 Ca 0.46 1.28 -0.11 0.00 0.02 0.00 0.00 54.13 55.78 3hc8 s LEU 704 Cb 0.22 -4.18 0.11 0.00 0.02 0.00 0.00 46.19 42.36 3hc8 s LEU 704 CO 0.36 -0.44 1.09 -0.94 0.02 0.00 0.00 176.35 176.44 3hc8 s SER 705 N -3.06 3.75 0.16 2.29 1.04 -1.26 -4.79 113.70 111.82 3hc8 s SER 705 Ca 0.54 1.44 -0.14 0.00 0.48 0.00 0.00 55.95 58.27 3hc8 s SER 705 Cb -0.10 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 63.93 3hc8 s SER 705 CO 0.30 -2.46 1.73 0.40 0.98 0.00 0.00 173.24 174.19 3hc8 h ILE 706 N -1.43 1.21 -0.52 -1.02 2.04 -1.98 -0.33 117.51 115.47 3hc8 h ILE 706 Ca -0.49 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 64.78 3hc8 h ILE 706 Cb 1.28 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3hc8 h ILE 706 CO 0.56 0.24 0.31 -0.33 0.00 0.00 0.00 178.15 178.93 3hc8 h GLU 707 N 0.70 0.60 -0.45 2.37 5.08 -2.00 -1.54 114.58 119.34 3hc8 h GLU 707 Ca 0.18 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3hc8 h GLU 707 Cb 0.16 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3hc8 h GLU 707 CO -0.02 0.40 0.08 0.93 -1.00 0.00 0.00 179.01 179.40 3hc8 h GLU 708 N 0.62 0.73 0.28 2.33 5.08 -1.88 -2.04 114.58 119.70 3hc8 h GLU 708 Ca 0.21 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hc8 h GLU 708 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3hc8 h GLU 708 CO -0.10 0.75 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.49 3hc8 h TYR 709 N 0.60 -0.68 -0.52 4.33 3.20 -0.81 0.27 116.97 123.36 3hc8 h TYR 709 Ca 0.14 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.10 3hc8 h TYR 709 Cb 0.37 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.82 3hc8 h TYR 709 CO 0.02 -0.38 0.09 0.87 -1.64 0.00 0.00 178.16 177.13 3hc8 h LYS 710 N -0.56 0.22 -0.39 1.82 1.57 -1.31 -0.47 116.57 117.45 3hc8 h LYS 710 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3hc8 h LYS 710 Cb 0.51 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3hc8 h LYS 710 CO -0.04 0.14 0.16 1.15 -0.57 0.00 0.00 179.45 180.30 3hc8 h THR 711 N 0.22 1.19 -0.35 -0.16 2.02 -0.99 -2.32 112.91 112.52 3hc8 h THR 711 Ca 0.26 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hc8 h THR 711 Cb 0.37 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3hc8 h THR 711 CO -0.35 0.21 0.23 0.74 0.37 0.00 0.00 175.52 176.71 3hc8 h THR 712 N 0.48 1.10 -0.61 3.16 2.02 -0.13 -1.20 112.91 117.73 3hc8 h THR 712 Ca 0.13 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3hc8 h THR 712 Cb 0.17 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3hc8 h THR 712 CO -0.01 0.10 0.31 -0.07 0.37 0.00 0.00 175.52 176.22 3hc8 h LEU 713 N 0.47 0.77 -0.31 2.58 3.38 -1.01 -0.29 115.31 120.90 3hc8 h LEU 713 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3hc8 h LEU 713 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hc8 h LEU 713 CO -0.03 0.64 -0.11 0.50 0.09 0.00 0.00 178.44 179.54 3hc8 h LYS 714 N 0.86 0.62 -0.41 1.13 3.64 -1.04 -1.00 116.57 120.36 3hc8 h LYS 714 Ca 0.22 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hc8 h LYS 714 Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3hc8 h LYS 714 CO -0.03 0.83 0.27 0.82 -2.27 0.00 0.00 179.45 179.07 3hc8 h ILE 715 N 0.39 1.11 -0.29 2.00 2.04 -0.83 -1.72 117.51 120.20 3hc8 h ILE 715 Ca 0.07 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3hc8 h ILE 715 Cb 0.62 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hc8 h ILE 715 CO 0.04 0.10 0.10 0.40 0.00 0.00 0.00 178.15 178.79 3hc8 h ILE 716 N 0.56 0.92 -0.46 -0.67 2.04 -0.91 0.44 117.51 119.43 3hc8 h ILE 716 Ca 0.15 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hc8 h ILE 716 Cb -0.06 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3hc8 h ILE 716 CO -0.03 0.04 0.30 0.50 0.00 0.00 0.00 178.15 178.96 3hc8 h LYS 717 N 0.23 0.62 -0.39 2.37 3.11 -0.96 -0.66 116.57 120.90 3hc8 h LYS 717 Ca 0.13 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.80 3hc8 h LYS 717 Cb 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 3hc8 h LYS 717 CO -0.13 0.43 -0.26 1.96 -2.81 0.00 0.00 179.45 178.64 3hc8 h GLN 718 N 0.63 0.80 -0.40 1.90 4.20 -0.95 -0.70 115.11 120.58 3hc8 h GLN 718 Ca 0.17 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3hc8 h GLN 718 Cb -0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3hc8 h GLN 718 CO -0.03 0.96 0.03 0.00 -0.67 0.00 0.00 178.83 179.12 3hc8 h ALA 719 N 1.02 0.53 -0.08 3.87 0.00 -0.64 -0.31 119.26 123.66 3hc8 h ALA 719 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hc8 h ALA 719 Cb 0.78 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hc8 h ALA 719 CO 0.06 0.28 0.01 0.82 0.00 0.00 0.00 179.25 180.42 3hc8 h ILE 720 N 0.52 1.23 -0.94 0.00 2.04 -1.03 -3.03 117.51 116.30 3hc8 h ILE 720 Ca 0.12 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.41 3hc8 h ILE 720 Cb 0.42 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3hc8 h ILE 720 CO 0.01 0.20 0.60 -0.07 0.00 0.00 0.00 178.15 178.89 3hc8 h LEU 721 N -0.12 0.79 -2.26 1.44 3.38 -1.07 -1.71 115.31 115.77 3hc8 h LEU 721 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hc8 h LEU 721 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hc8 h LEU 721 CO 0.00 0.41 0.12 0.00 0.09 0.00 0.00 178.44 179.07 3hc8 h ALA 722 N 1.57 1.12 0.00 1.53 0.00 -0.92 -1.77 119.26 120.78 3hc8 h ALA 722 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3hc8 h ALA 722 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hc8 h ALA 722 CO -0.23 -0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.15 3hc8 n THR 723 N -2.80 0.05 -2.15 0.00 -2.24 -0.64 -4.39 114.28 102.12 3hc8 n THR 723 Ca -0.02 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3hc8 n THR 723 Cb 0.18 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 3hc8 n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hc8 s ASP 724 N -2.63 6.22 0.59 3.42 -1.08 -0.67 -4.90 116.67 117.62 3hc8 s ASP 724 Ca 0.26 1.30 0.29 0.00 -0.52 0.00 0.00 52.55 53.88 3hc8 s ASP 724 Cb 0.19 -2.53 1.78 0.00 -1.46 0.00 0.00 42.92 40.90 3hc8 s ASP 724 CO 0.45 -1.45 2.21 0.25 0.52 0.00 0.00 175.17 177.16 3hc8 h LEU 725 N 12.46 0.00 -0.43 -1.34 5.85 -1.89 0.10 115.31 130.06 3hc8 h LEU 725 Ca -0.32 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3hc8 h LEU 725 Cb 1.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3hc8 h LEU 725 CO 1.03 0.00 0.28 0.00 -0.34 0.00 0.00 178.44 179.41 3hc8 h ALA 726 N 1.93 0.54 -0.50 1.25 0.00 -1.94 -1.49 119.26 119.06 3hc8 h ALA 726 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3hc8 h ALA 726 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hc8 h ALA 726 CO -0.00 -0.01 -0.02 -0.07 0.00 0.00 0.00 179.25 179.15 3hc8 h LEU 727 N 0.57 0.81 -0.09 0.00 3.38 -1.15 -2.16 115.31 116.67 3hc8 h LEU 727 Ca 0.16 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hc8 h LEU 727 Cb -0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3hc8 h LEU 727 CO -0.04 0.89 -0.08 0.22 0.09 0.00 0.00 178.44 179.52 3hc8 h TYR 728 N 0.78 -0.19 -0.78 1.13 3.20 -1.15 -2.07 116.97 117.89 3hc8 h TYR 728 Ca 0.15 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hc8 h TYR 728 Cb 0.49 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3hc8 h TYR 728 CO 0.03 -0.12 0.50 0.82 -1.64 0.00 0.00 178.16 177.75 3hc8 h ILE 729 N -0.09 1.13 -0.16 1.81 2.04 -1.18 -0.77 117.51 120.28 3hc8 h ILE 729 Ca 0.06 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3hc8 h ILE 729 Cb 0.18 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3hc8 h ILE 729 CO -0.15 0.18 -0.07 0.50 0.00 0.00 0.00 178.15 178.61 3hc8 h LYS 730 N 0.99 0.24 0.00 2.37 3.64 -1.09 -3.32 116.57 119.39 3hc8 h LYS 730 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3hc8 h LYS 730 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3hc8 h LYS 730 CO -0.10 0.32 -0.49 0.54 -2.27 0.00 0.00 179.45 177.45 3hc8 n ARG 731 N -4.33 3.96 0.13 1.90 1.74 -0.81 -4.70 116.66 114.55 3hc8 n ARG 731 Ca -0.01 -0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 3hc8 n ARG 731 Cb 0.22 -0.90 0.24 0.00 -1.02 0.00 0.00 32.46 31.01 3hc8 n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3hc8 h ARG 732 N 0.00 0.12 -0.58 5.56 0.11 -1.25 -3.06 114.38 115.28 3hc8 h ARG 732 Ca 0.00 -0.06 0.06 0.00 0.10 0.00 0.00 59.98 60.08 3hc8 h ARG 732 Cb 0.20 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.23 3hc8 h ARG 732 CO 0.00 0.56 0.28 0.78 0.10 0.00 0.00 179.97 181.69 3hc8 h GLY 733 N 1.34 0.83 0.83 0.08 0.00 -1.84 -0.44 103.07 103.87 3hc8 h GLY 733 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3hc8 h GLY 733 CO 0.07 0.09 0.39 -2.09 0.00 0.00 0.00 176.54 174.99 3hc8 h GLU 734 N 0.53 0.73 0.16 4.80 4.81 -1.87 -0.89 114.58 122.86 3hc8 h GLU 734 Ca 0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3hc8 h GLU 734 Cb 0.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3hc8 h GLU 734 CO -0.20 0.48 -0.08 0.35 -0.73 0.00 0.00 179.01 178.83 3hc8 h PHE 735 N 0.75 -0.20 -0.77 0.92 3.57 -1.36 -0.81 116.94 119.04 3hc8 h PHE 735 Ca 0.27 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3hc8 h PHE 735 Cb 0.06 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3hc8 h PHE 735 CO -0.06 -0.12 0.51 0.74 -2.23 0.00 0.00 178.31 177.15 3hc8 h PHE 736 N -0.23 0.94 0.01 0.41 0.04 -0.92 -2.31 116.94 114.89 3hc8 h PHE 736 Ca -0.02 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 3hc8 h PHE 736 Cb 0.17 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3hc8 h PHE 736 CO -0.06 0.58 -0.91 0.93 -0.60 0.00 0.00 178.31 178.24 3hc8 h GLU 737 N 1.00 0.19 -0.80 1.51 4.39 -0.89 -0.33 114.58 119.66 3hc8 h GLU 737 Ca 0.29 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3hc8 h GLU 737 Cb -0.06 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3hc8 h GLU 737 CO -0.07 0.98 0.43 -0.07 -1.16 0.00 0.00 179.01 179.11 3hc8 h LEU 738 N 0.10 1.01 -0.27 1.33 3.38 -0.80 -1.06 115.31 118.99 3hc8 h LEU 738 Ca -0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3hc8 h LEU 738 Cb 1.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3hc8 h LEU 738 CO 0.14 0.82 -0.16 0.40 0.09 0.00 0.00 178.44 179.73 3hc8 h ILE 739 N 1.11 1.30 -0.87 1.22 2.04 -1.30 0.70 117.51 121.72 3hc8 h ILE 739 Ca 0.28 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3hc8 h ILE 739 Cb 0.05 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3hc8 h ILE 739 CO -0.04 0.40 0.55 -0.09 0.00 0.00 0.00 178.15 178.97 3hc8 h ARG 740 N 0.32 1.15 -0.23 2.37 2.43 -0.83 -2.34 114.38 117.26 3hc8 h ARG 740 Ca 0.06 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hc8 h ARG 740 Cb 0.69 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3hc8 h ARG 740 CO 0.05 0.78 0.00 1.63 -1.51 0.00 0.00 179.97 180.92 3hc8 n LYS 741 N -4.39 1.74 -2.90 0.20 5.02 -0.42 -4.92 118.16 112.49 3hc8 n LYS 741 Ca 0.10 -1.13 -0.21 0.00 -2.02 0.00 0.00 58.31 55.05 3hc8 n LYS 741 Cb 0.04 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3hc8 n LYS 741 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hc8 n ASN 742 N 0.37 -5.14 -0.93 4.39 5.15 -0.88 -4.87 115.26 113.35 3hc8 n ASN 742 Ca 0.14 -0.19 0.09 0.00 -0.60 0.00 0.00 54.58 54.03 3hc8 n ASN 742 Cb 0.31 -4.22 0.18 0.00 -0.53 0.00 0.00 39.78 35.52 3hc8 n ASN 742 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hc8 n GLN 743 N -3.59 2.27 -2.16 1.20 6.02 0.20 -4.96 117.38 116.37 3hc8 n GLN 743 Ca -0.12 -2.07 -0.43 0.00 -0.01 0.00 0.00 57.00 54.37 3hc8 n GLN 743 Cb 0.61 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 3hc8 n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3hc8 s PHE 744 N -1.24 2.21 -0.24 1.08 5.36 -0.97 -4.95 117.98 119.23 3hc8 s PHE 744 Ca 0.32 0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 56.81 3hc8 s PHE 744 Cb 0.18 -3.92 0.08 0.00 -0.34 0.00 0.00 43.02 39.02 3hc8 s PHE 744 CO 0.25 -2.83 0.11 1.21 -1.46 0.00 0.00 175.22 172.51 3hc8 s ASN 745 N 3.78 3.03 0.00 6.13 2.47 -1.26 -5.01 114.94 124.08 3hc8 s ASN 745 Ca 0.69 -1.00 0.10 0.00 0.42 0.00 0.00 52.86 53.07 3hc8 s ASN 745 Cb -0.25 -0.32 0.43 0.00 -1.45 0.00 0.00 41.25 39.66 3hc8 s ASN 745 CO 0.27 -0.40 1.32 0.18 -3.72 0.00 0.00 177.10 174.76 3hc8 n LEU 746 N 5.25 0.00 0.25 3.21 4.77 -1.26 -1.69 117.00 127.52 3hc8 n LEU 746 Ca -0.06 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 3hc8 n LEU 746 Cb 0.45 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.52 3hc8 n LEU 746 CO 0.07 -0.33 0.89 -0.33 -1.33 0.00 0.00 177.39 176.36 3hc8 h GLU 747 N 0.00 0.00 -6.22 3.23 5.08 -1.96 -3.40 114.58 111.30 3hc8 h GLU 747 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3hc8 h GLU 747 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3hc8 h GLU 747 CO 0.00 0.07 0.81 0.34 -1.00 0.00 0.00 179.01 179.23 3hc8 s ASP 748 N -5.96 6.99 0.24 1.42 -1.08 -0.68 -4.95 116.67 112.66 3hc8 s ASP 748 Ca 0.03 1.75 -0.04 0.00 -0.52 0.00 0.00 52.55 53.77 3hc8 s ASP 748 Cb 0.08 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 3hc8 s ASP 748 CO 0.60 -0.68 1.81 -0.65 0.52 0.00 0.00 175.17 176.77 3hc8 h PRO 749 N 7.88 0.75 -0.58 4.34 0.11 -1.87 -1.12 132.00 141.50 3hc8 h PRO 749 Ca -0.30 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 3hc8 h PRO 749 Cb 1.13 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3hc8 h PRO 749 CO 0.93 0.50 0.03 1.25 -0.21 0.00 0.00 178.00 180.50 3hc8 h HIS 750 N 0.78 1.09 -0.40 0.65 -0.00 -1.94 -2.50 115.15 112.82 3hc8 h HIS 750 Ca 0.39 -0.18 -0.12 0.00 -0.00 0.00 0.00 60.37 60.46 3hc8 h HIS 750 Cb 0.36 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 3hc8 h HIS 750 CO -0.06 0.97 -0.24 0.93 -0.00 0.00 0.00 177.93 179.52 3hc8 h GLU 751 N 0.90 0.83 -0.06 5.26 5.08 -1.74 -2.26 114.58 122.59 3hc8 h GLU 751 Ca 0.17 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3hc8 h GLU 751 Cb 0.51 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3hc8 h GLU 751 CO 0.02 0.98 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.62 3hc8 h LYS 752 N 0.72 -0.25 -0.68 2.33 1.63 -1.07 0.23 116.57 119.49 3hc8 h LYS 752 Ca 0.09 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 3hc8 h LYS 752 Cb 0.78 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.41 3hc8 h LYS 752 CO 0.06 -0.17 0.39 1.49 -3.45 0.00 0.00 179.45 177.77 3hc8 h GLU 753 N -0.26 0.70 -0.41 1.90 4.81 -1.38 -0.41 114.58 119.53 3hc8 h GLU 753 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3hc8 h GLU 753 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3hc8 h GLU 753 CO -0.21 0.46 0.23 1.25 -0.73 0.00 0.00 179.01 180.01 3hc8 h LEU 754 N 0.72 0.50 -0.81 1.64 5.85 -1.05 -1.83 115.31 120.33 3hc8 h LEU 754 Ca 0.30 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hc8 h LEU 754 Cb 0.16 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3hc8 h LEU 754 CO -0.17 0.43 0.49 0.15 -0.34 0.00 0.00 178.44 179.00 3hc8 h PHE 755 N 0.53 1.06 -0.69 1.25 3.57 0.10 -2.08 116.94 120.68 3hc8 h PHE 755 Ca 0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3hc8 h PHE 755 Cb 0.03 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 3hc8 h PHE 755 CO -0.03 0.71 0.22 -0.07 -2.23 0.00 0.00 178.31 176.91 3hc8 h LEU 756 N 1.11 0.98 -0.38 0.59 3.38 -0.79 -0.40 115.31 119.80 3hc8 h LEU 756 Ca 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hc8 h LEU 756 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3hc8 h LEU 756 CO -0.06 0.91 0.15 0.00 0.09 0.00 0.00 178.44 179.53 3hc8 h ALA 757 N 1.22 0.49 -0.46 1.53 0.00 -1.07 -1.45 119.26 119.52 3hc8 h ALA 757 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hc8 h ALA 757 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hc8 h ALA 757 CO -0.01 0.09 0.23 0.52 0.00 0.00 0.00 179.25 180.08 3hc8 h MET 758 N 0.46 0.66 -0.89 0.00 2.86 -1.08 -2.05 114.93 114.89 3hc8 h MET 758 Ca 0.12 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3hc8 h MET 758 Cb 0.19 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3hc8 h MET 758 CO -0.01 0.54 0.59 1.25 1.06 0.00 0.00 176.91 180.34 3hc8 h LEU 759 N 0.60 0.98 -0.47 1.22 5.85 -0.97 -0.96 115.31 121.56 3hc8 h LEU 759 Ca 0.16 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3hc8 h LEU 759 Cb 0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3hc8 h LEU 759 CO -0.02 0.68 0.15 0.24 -0.34 0.00 0.00 178.44 179.15 3hc8 h MET 760 N 1.14 0.73 -0.50 1.25 2.86 -0.79 -1.31 114.93 118.32 3hc8 h MET 760 Ca 0.35 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3hc8 h MET 760 Cb -0.02 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3hc8 h MET 760 CO -0.10 0.70 0.23 1.15 1.06 0.00 0.00 176.91 179.95 3hc8 h THR 761 N 0.63 1.20 -0.64 2.22 2.02 -1.05 0.29 112.91 117.57 3hc8 h THR 761 Ca 0.15 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.82 3hc8 h THR 761 Cb 0.27 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 3hc8 h THR 761 CO -0.00 0.22 0.35 0.00 0.37 0.00 0.00 175.52 176.45 3hc8 h ALA 762 N 1.07 0.85 -0.16 6.16 0.00 -0.98 -1.04 119.26 125.17 3hc8 h ALA 762 Ca 0.17 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3hc8 h ALA 762 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hc8 h ALA 762 CO -0.02 0.02 -0.44 0.00 0.00 0.00 0.00 179.25 178.81 3hc8 h ASP 764 N 0.22 0.75 -0.10 0.00 3.58 -0.63 -2.55 116.42 117.68 3hc8 h ASP 764 Ca -0.01 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3hc8 h ASP 764 Cb 1.06 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.94 3hc8 h ASP 764 CO 0.10 0.51 0.00 0.18 -2.88 0.00 0.00 179.24 177.14 3hc8 n LEU 765 N -4.46 2.40 0.14 2.28 4.77 -0.42 -4.59 117.00 117.12 3hc8 n LEU 765 Ca 0.09 -0.87 0.11 0.00 -0.03 0.00 0.00 56.01 55.31 3hc8 n LEU 765 Cb 0.14 -0.05 0.51 0.00 -2.33 0.00 0.00 43.42 41.69 3hc8 n LEU 765 CO 0.35 0.44 0.82 -1.54 -1.33 0.00 0.00 177.39 176.12 3hc8 n SER 766 N 0.85 0.55 0.00 -1.43 3.41 -0.96 -1.80 113.62 114.23 3hc8 n SER 766 Ca 0.17 0.71 0.06 0.00 -0.26 0.00 0.00 58.87 59.54 3hc8 n SER 766 Cb 0.48 -0.80 0.46 0.00 -0.26 0.00 0.00 64.21 64.10 3hc8 n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hc8 h ALA 767 N 2.11 1.80 0.00 7.33 0.00 -1.82 -1.34 119.26 127.34 3hc8 h ALA 767 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hc8 h ALA 767 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hc8 h ALA 767 CO 0.00 0.16 0.00 0.97 0.00 0.00 0.00 179.25 180.38 3hc8 h ILE 768 N 0.48 0.00 -0.11 0.00 2.10 -1.72 -1.78 117.51 116.48 3hc8 h ILE 768 Ca 0.16 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.96 3hc8 h ILE 768 Cb 0.07 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 3hc8 h ILE 768 CO -0.04 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.38 3hc8 n THR 769 N -2.40 0.12 -1.73 2.19 -2.24 -0.51 -4.45 114.28 105.25 3hc8 n THR 769 Ca 0.00 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 3hc8 n THR 769 Cb 0.15 1.20 0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3hc8 n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hc8 s LYS 770 N -1.88 3.17 0.31 -0.78 -0.14 -0.67 -4.15 119.74 115.59 3hc8 s LYS 770 Ca 0.32 0.80 -0.27 0.00 -1.36 0.00 0.00 55.97 55.45 3hc8 s LYS 770 Cb 0.21 -2.03 -0.14 0.00 -1.68 0.00 0.00 37.83 34.19 3hc8 s LYS 770 CO 0.31 -0.89 0.92 -2.30 -0.76 0.00 0.00 175.35 172.63 3hc8 n PRO 771 N -2.97 1.15 -0.35 -1.68 -0.02 -1.26 -4.34 135.00 125.53 3hc8 n PRO 771 Ca 0.07 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3hc8 n PRO 771 Cb 0.54 -1.75 0.12 0.00 -0.02 0.00 0.00 33.50 32.39 3hc8 n PRO 771 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hc8 h TRP 772 N 1.73 -0.60 -0.38 6.00 2.91 -1.94 0.14 115.95 123.80 3hc8 h TRP 772 Ca -0.39 0.09 -0.05 0.00 1.13 0.00 0.00 58.89 59.67 3hc8 h TRP 772 Cb 1.36 0.41 -0.02 0.00 -0.51 0.00 0.00 29.16 30.40 3hc8 h TRP 772 CO 0.45 -0.42 0.01 -1.35 -1.03 0.00 0.00 178.44 176.10 3hc8 h PRO 773 N -0.00 0.60 -0.05 2.65 0.11 -1.99 0.30 132.00 133.62 3hc8 h PRO 773 Ca 0.45 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 3hc8 h PRO 773 Cb 0.70 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3hc8 h PRO 773 CO -1.00 0.62 -0.05 0.82 -0.21 0.00 0.00 178.00 178.17 3hc8 h ILE 774 N 0.57 1.37 -0.75 4.15 2.04 -1.11 -2.66 117.51 121.12 3hc8 h ILE 774 Ca 0.12 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3hc8 h ILE 774 Cb 0.35 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3hc8 h ILE 774 CO 0.01 0.33 0.45 -0.61 0.00 0.00 0.00 178.15 178.33 3hc8 h GLN 775 N -0.31 1.02 -0.76 2.37 -0.00 -0.94 -1.90 115.11 114.59 3hc8 h GLN 775 Ca 0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 3hc8 h GLN 775 Cb 0.55 -0.21 -0.04 0.00 0.00 0.00 0.00 27.48 27.78 3hc8 h GLN 775 CO 0.01 0.73 0.42 0.37 0.00 0.00 0.00 178.83 180.36 3hc8 h GLN 776 N 1.03 1.06 -0.39 1.69 4.15 -0.45 0.12 115.11 122.32 3hc8 h GLN 776 Ca 0.27 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 3hc8 h GLN 776 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3hc8 h GLN 776 CO -0.05 0.79 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.41 3hc8 h ARG 777 N 1.05 0.77 -0.52 1.69 2.43 -1.14 -2.37 114.38 116.29 3hc8 h ARG 777 Ca 0.27 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3hc8 h ARG 777 Cb 0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hc8 h ARG 777 CO -0.04 0.93 -0.12 0.82 -1.51 0.00 0.00 179.97 180.05 3hc8 h ILE 778 N 0.58 1.27 -0.82 1.20 2.04 -1.21 -2.71 117.51 117.87 3hc8 h ILE 778 Ca 0.09 -1.27 0.12 0.00 1.00 0.00 0.00 64.86 64.80 3hc8 h ILE 778 Cb 0.67 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3hc8 h ILE 778 CO 0.05 0.45 0.53 0.00 0.00 0.00 0.00 178.15 179.18 3hc8 h ALA 779 N 0.91 1.86 -0.71 1.87 0.00 -0.67 -0.26 119.26 122.27 3hc8 h ALA 779 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hc8 h ALA 779 Cb 0.69 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3hc8 h ALA 779 CO 0.05 -0.06 0.25 0.93 0.00 0.00 0.00 179.25 180.42 3hc8 h GLU 780 N 0.65 1.07 -0.29 0.00 5.08 -1.10 -1.36 114.58 118.62 3hc8 h GLU 780 Ca 0.39 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3hc8 h GLU 780 Cb 0.62 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3hc8 h GLU 780 CO -0.16 0.89 0.05 -0.07 -1.00 0.00 0.00 179.01 178.72 3hc8 h LEU 781 N 1.03 0.46 -0.30 1.33 3.38 -0.99 -1.04 115.31 119.19 3hc8 h LEU 781 Ca 0.23 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hc8 h LEU 781 Cb 0.25 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3hc8 h LEU 781 CO -0.01 0.61 -0.09 0.58 0.09 0.00 0.00 178.44 179.62 3hc8 h VAL 782 N 0.30 0.67 -0.75 1.22 2.07 -0.83 -1.78 116.25 117.15 3hc8 h VAL 782 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3hc8 h VAL 782 Cb 0.34 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hc8 h VAL 782 CO 0.01 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.02 3hc8 h ALA 783 N 1.27 0.96 -0.25 1.67 0.00 -1.20 -2.01 119.26 119.68 3hc8 h ALA 783 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hc8 h ALA 783 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hc8 h ALA 783 CO -0.32 0.45 0.05 1.15 0.00 0.00 0.00 179.25 180.58 3hc8 h THR 784 N 1.03 0.88 -0.29 0.00 2.02 -0.75 0.29 112.91 116.08 3hc8 h THR 784 Ca 0.26 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3hc8 h THR 784 Cb 0.01 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3hc8 h THR 784 CO -0.05 0.03 0.12 -0.08 0.37 0.00 0.00 175.52 175.91 3hc8 h GLU 785 N 0.14 0.44 -0.79 6.66 4.81 -1.18 -0.37 114.58 124.29 3hc8 h GLU 785 Ca 0.12 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3hc8 h GLU 785 Cb 0.12 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 3hc8 h GLU 785 CO -0.15 0.46 0.48 0.74 -0.73 0.00 0.00 179.01 179.81 3hc8 h PHE 786 N 0.33 0.89 -0.02 0.92 0.04 -1.09 -1.98 116.94 116.03 3hc8 h PHE 786 Ca 0.10 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.74 3hc8 h PHE 786 Cb 0.19 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3hc8 h PHE 786 CO -0.01 0.45 -0.68 0.74 -0.60 0.00 0.00 178.31 178.21 3hc8 h PHE 787 N 0.89 0.12 -0.85 -0.55 0.04 -0.68 -2.32 116.94 113.59 3hc8 h PHE 787 Ca 0.35 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 3hc8 h PHE 787 Cb 0.16 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3hc8 h PHE 787 CO -0.04 0.74 0.41 0.22 -0.60 0.00 0.00 178.31 179.04 3hc8 h ASP 788 N 0.06 1.12 -0.39 2.17 1.82 -0.70 0.54 116.42 121.05 3hc8 h ASP 788 Ca -0.01 -0.13 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 3hc8 h ASP 788 Cb 1.21 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.92 3hc8 h ASP 788 CO 0.10 0.94 0.11 -0.61 -1.61 0.00 0.00 179.24 178.16 3hc8 h GLN 789 N 1.22 0.61 -0.88 0.28 4.15 -1.05 -2.10 115.11 117.34 3hc8 h GLN 789 Ca 0.29 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.62 3hc8 h GLN 789 Cb 0.11 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 3hc8 h GLN 789 CO -0.04 0.62 0.58 0.78 -1.93 0.00 0.00 178.83 178.84 3hc8 h GLY 790 N 0.48 1.26 0.85 2.39 0.00 -1.01 0.97 103.07 108.00 3hc8 h GLY 790 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3hc8 h GLY 790 CO -0.00 0.36 0.27 -0.55 0.00 0.00 0.00 176.54 176.61 3hc8 h ASP 791 N 1.07 0.42 -0.77 0.19 3.32 -0.57 -0.80 116.42 119.28 3hc8 h ASP 791 Ca 0.35 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 3hc8 h ASP 791 Cb 0.06 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3hc8 h ASP 791 CO -0.11 0.30 0.31 0.03 -1.72 0.00 0.00 179.24 178.05 3hc8 h ARG 792 N 0.53 1.16 -0.48 3.56 3.08 -0.61 -2.32 114.38 119.29 3hc8 h ARG 792 Ca 0.19 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3hc8 h ARG 792 Cb 0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hc8 h ARG 792 CO -0.10 0.94 0.13 0.93 -1.07 0.00 0.00 179.97 180.80 3hc8 h GLU 793 N 1.12 0.76 0.05 0.04 5.08 -0.43 0.33 114.58 121.53 3hc8 h GLU 793 Ca 0.26 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3hc8 h GLU 793 Cb 0.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3hc8 h GLU 793 CO -0.02 0.73 -0.16 0.00 -1.00 0.00 0.00 179.01 178.57 3hc8 h ARG 794 N 0.65 -0.27 0.16 2.33 3.08 -1.06 0.41 114.38 119.68 3hc8 h ARG 794 Ca 0.15 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3hc8 h ARG 794 Cb 0.30 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hc8 h ARG 794 CO -0.00 -0.18 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.42 3hc8 h LYS 795 N -0.29 -0.20 0.08 0.04 3.64 -1.23 -1.43 116.57 117.18 3hc8 h LYS 795 Ca 0.04 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 3hc8 h LYS 795 Cb 0.32 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hc8 h LYS 795 CO -0.12 0.18 -1.26 0.93 -2.27 0.00 0.00 179.45 176.91 3hc8 h GLU 796 N -0.64 0.17 -0.00 1.90 5.08 -0.41 -3.37 114.58 117.31 3hc8 h GLU 796 Ca -0.02 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3hc8 h GLU 796 Cb 0.47 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hc8 h GLU 796 CO 0.04 1.09 -0.33 1.28 -1.00 0.00 0.00 179.01 180.09 3hc8 n LEU 797 N -3.43 0.67 -3.95 1.33 4.77 0.06 -5.02 117.00 111.44 3hc8 n LEU 797 Ca -0.08 -0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 55.00 3hc8 n LEU 797 Cb 1.01 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.12 3hc8 n LEU 797 CO 0.51 0.15 0.09 -3.20 -1.33 0.00 0.00 177.39 173.60 3hc8 n ASN 798 N -0.87 -4.55 -4.66 -1.43 5.15 -0.54 -4.97 115.26 103.38 3hc8 n ASN 798 Ca 0.02 -0.81 -0.24 0.00 -0.60 0.00 0.00 54.58 52.96 3hc8 n ASN 798 Cb 0.16 -3.76 -0.07 0.00 -0.53 0.00 0.00 39.78 35.57 3hc8 n ASN 798 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hc8 s ILE 799 N -3.31 3.59 -0.04 -1.44 -4.36 -1.21 -4.99 121.20 109.43 3hc8 s ILE 799 Ca 0.66 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.01 3hc8 s ILE 799 Cb -0.33 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 3hc8 s ILE 799 CO 0.84 -0.30 1.18 -1.61 0.24 0.00 0.00 174.94 175.29 3hc8 s GLU 800 N -3.48 4.37 0.87 0.37 0.41 -1.26 -3.84 118.70 116.14 3hc8 s GLU 800 Ca 0.30 1.66 -0.11 0.00 -0.41 0.00 0.00 54.97 56.41 3hc8 s GLU 800 Cb -0.07 -3.53 0.12 0.00 -1.78 0.00 0.00 34.13 28.86 3hc8 s GLU 800 CO 0.20 -0.41 1.09 -2.14 -0.49 0.00 0.00 175.26 173.52 3hc8 s PRO 801 N 2.04 1.42 0.83 0.39 0.02 -1.26 -5.00 135.00 133.44 3hc8 s PRO 801 Ca 0.56 1.03 -0.11 0.00 0.02 0.00 0.00 61.00 62.49 3hc8 s PRO 801 Cb -0.25 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.56 3hc8 s PRO 801 CO 0.23 -2.18 1.15 0.95 -0.33 0.00 0.00 177.00 176.81 3hc8 s THR 802 N -2.86 2.46 0.27 0.99 -4.23 -1.26 -4.71 115.64 106.30 3hc8 s THR 802 Ca 0.63 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.31 3hc8 s THR 802 Cb -0.19 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.47 3hc8 s THR 802 CO 0.57 -0.18 1.69 0.44 -0.54 0.00 0.00 174.62 176.61 3hc8 h ASP 803 N -1.26 0.18 -0.86 3.99 3.32 -1.94 0.04 116.42 119.88 3hc8 h ASP 803 Ca -0.44 0.15 0.17 0.00 0.02 0.00 0.00 57.03 56.93 3hc8 h ASP 803 Cb 1.26 0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.92 3hc8 h ASP 803 CO 0.46 -0.02 0.56 0.25 -1.72 0.00 0.00 179.24 178.78 3hc8 h LEU 804 N 0.34 0.50 -2.02 1.55 5.85 -1.92 -2.17 115.31 117.44 3hc8 h LEU 804 Ca 0.50 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.25 3hc8 h LEU 804 Cb 0.90 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3hc8 h LEU 804 CO -0.53 0.23 0.00 0.23 -0.34 0.00 0.00 178.44 178.04 3hc8 n MET 805 N -4.53 2.34 -3.69 1.25 2.81 -0.06 -4.57 117.12 110.67 3hc8 n MET 805 Ca 0.17 -2.00 -0.38 0.00 -1.81 0.00 0.00 57.70 53.68 3hc8 n MET 805 Cb 0.57 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.50 3hc8 n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hc8 s ASN 806 N -1.86 5.42 0.44 7.83 3.84 -0.82 -3.48 114.94 126.31 3hc8 s ASN 806 Ca 0.30 -1.71 0.14 0.00 0.21 0.00 0.00 52.86 51.80 3hc8 s ASN 806 Cb 0.20 -1.90 1.04 0.00 -0.55 0.00 0.00 41.25 40.04 3hc8 s ASN 806 CO 0.30 -0.53 1.99 -0.09 -2.79 0.00 0.00 177.10 175.98 3hc8 h ARG 807 N 8.24 0.38 -0.01 0.43 2.43 -1.86 0.13 114.38 124.12 3hc8 h ARG 807 Ca -0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3hc8 h ARG 807 Cb 1.07 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3hc8 h ARG 807 CO 0.72 0.25 0.01 0.93 -1.51 0.00 0.00 179.97 180.37 3hc8 h GLU 808 N 0.39 0.00 -0.51 0.20 5.08 -1.95 -1.75 114.58 116.04 3hc8 h GLU 808 Ca 0.26 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 3hc8 h GLU 808 Cb 0.51 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.57 3hc8 h GLU 808 CO -0.07 0.00 -0.08 1.63 -1.00 0.00 0.00 179.01 179.49 3hc8 n LYS 809 N -3.82 2.23 0.32 2.33 5.02 0.43 -4.71 118.16 119.97 3hc8 n LYS 809 Ca -0.03 -3.37 0.20 0.00 -2.02 0.00 0.00 58.31 53.09 3hc8 n LYS 809 Cb 0.09 -1.96 1.04 0.00 -0.02 0.00 0.00 35.03 34.18 3hc8 n LYS 809 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3hc8 h LYS 810 N 1.30 0.00 0.00 1.97 2.10 -1.18 -0.73 116.57 120.04 3hc8 h LYS 810 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3hc8 h LYS 810 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 3hc8 h LYS 810 CO 0.61 0.00 0.12 -2.95 -2.00 0.00 0.00 179.45 175.23 3hc8 h ASN 811 N 0.00 0.00 1.26 7.07 7.08 -1.85 -1.55 115.58 127.59 3hc8 h ASN 811 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 3hc8 h ASN 811 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.51 3hc8 h ASN 811 CO -0.00 0.00 -0.09 0.29 -2.08 0.00 0.00 177.43 175.55 3hc8 n LYS 812 N -2.76 0.19 -0.05 4.14 4.76 -0.28 -4.40 118.16 119.77 3hc8 n LYS 812 Ca -0.02 0.14 -0.09 0.00 -2.87 0.00 0.00 58.31 55.47 3hc8 n LYS 812 Cb 0.17 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 3hc8 n LYS 812 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3hc8 h ILE 813 N 0.00 0.27 -0.30 -0.18 2.04 -1.48 -0.41 117.51 117.45 3hc8 h ILE 813 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3hc8 h ILE 813 Cb 0.67 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hc8 h ILE 813 CO 0.00 0.00 0.11 -0.65 0.00 0.00 0.00 178.15 177.61 3hc8 h PRO 814 N -0.33 0.23 -0.16 2.37 0.11 -1.82 0.22 132.00 132.62 3hc8 h PRO 814 Ca 0.13 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 3hc8 h PRO 814 Cb 0.54 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3hc8 h PRO 814 CO -0.42 0.15 -0.26 0.66 -0.21 0.00 0.00 178.00 177.92 3hc8 h SER 815 N 0.24 0.30 -0.31 -2.05 4.64 -1.78 -1.47 113.55 113.12 3hc8 h SER 815 Ca 0.13 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 3hc8 h SER 815 Cb 0.10 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3hc8 h SER 815 CO -0.14 0.56 -0.18 0.24 -0.87 0.00 0.00 176.83 176.45 3hc8 h MET 816 N 0.27 0.78 -0.56 4.77 2.86 -0.40 -1.00 114.93 121.65 3hc8 h MET 816 Ca 0.04 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3hc8 h MET 816 Cb 0.61 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3hc8 h MET 816 CO 0.04 0.90 -0.00 1.96 1.06 0.00 0.00 176.91 180.87 3hc8 h GLN 817 N 0.69 0.96 -0.10 1.72 1.08 -0.18 -1.53 115.11 117.74 3hc8 h GLN 817 Ca 0.10 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3hc8 h GLN 817 Cb 0.68 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3hc8 h GLN 817 CO 0.05 0.95 0.02 0.28 -0.95 0.00 0.00 178.83 179.18 3hc8 h VAL 818 N 0.88 1.20 -0.71 -0.54 2.07 -1.11 -0.75 116.25 117.30 3hc8 h VAL 818 Ca 0.16 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3hc8 h VAL 818 Cb 0.52 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3hc8 h VAL 818 CO 0.03 0.18 0.46 1.23 0.02 0.00 0.00 177.57 179.48 3hc8 h GLY 819 N -0.05 1.00 0.69 2.17 0.00 -1.13 -0.52 103.07 105.23 3hc8 h GLY 819 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3hc8 h GLY 819 CO 0.00 0.37 -0.20 -2.75 0.00 0.00 0.00 176.54 173.96 3hc8 h PHE 820 N 0.96 0.40 -0.45 5.60 3.57 -1.19 -0.44 116.94 125.40 3hc8 h PHE 820 Ca 0.26 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3hc8 h PHE 820 Cb -0.09 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3hc8 h PHE 820 CO 0.00 0.81 0.27 0.82 -2.23 0.00 0.00 178.31 177.99 3hc8 h ILE 821 N -0.12 1.06 -0.31 1.41 2.04 -0.90 -0.00 117.51 120.70 3hc8 h ILE 821 Ca 0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3hc8 h ILE 821 Cb 0.79 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3hc8 h ILE 821 CO 0.05 0.10 0.09 0.44 0.00 0.00 0.00 178.15 178.83 3hc8 h ASP 822 N 0.55 0.45 0.75 1.72 3.32 -1.06 0.51 116.42 122.67 3hc8 h ASP 822 Ca 0.17 -0.21 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 3hc8 h ASP 822 Cb -0.01 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3hc8 h ASP 822 CO -0.07 0.54 -1.36 0.00 -1.72 0.00 0.00 179.24 176.64 3hc8 h ALA 823 N 0.92 0.63 0.00 3.45 0.00 -0.98 -3.41 119.26 119.88 3hc8 h ALA 823 Ca 0.10 -1.12 -0.12 0.00 0.00 0.00 0.00 54.91 53.77 3hc8 h ALA 823 Cb 0.26 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hc8 h ALA 823 CO -0.00 1.30 -1.39 -0.89 0.00 0.00 0.00 179.25 178.26 3hc8 n ILE 824 N -3.12 0.39 -0.03 0.00 2.08 -0.04 -4.93 119.36 113.71 3hc8 n ILE 824 Ca -0.09 -0.10 -0.21 0.00 0.56 0.00 0.00 62.75 62.90 3hc8 n ILE 824 Cb 0.96 -1.49 -0.13 0.00 -0.75 0.00 0.00 39.64 38.22 3hc8 n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hc8 h LEU 826 N -0.53 0.41 -1.28 0.00 3.38 -1.14 -1.87 115.31 114.28 3hc8 h LEU 826 Ca -0.31 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3hc8 h LEU 826 Cb 1.59 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3hc8 h LEU 826 CO -0.03 0.38 0.12 1.56 0.09 0.00 0.00 178.44 180.57 3hc8 h GLN 827 N 0.41 0.62 -0.16 1.13 4.20 -1.82 -0.72 115.11 118.76 3hc8 h GLN 827 Ca 0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3hc8 h GLN 827 Cb 0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3hc8 h GLN 827 CO -0.02 0.55 0.03 1.25 -0.67 0.00 0.00 178.83 179.98 3hc8 h LEU 828 N 0.61 0.25 -0.75 1.46 5.85 -1.52 -0.67 115.31 120.52 3hc8 h LEU 828 Ca 0.14 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 3hc8 h LEU 828 Cb 0.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hc8 h LEU 828 CO -0.01 0.43 -0.52 1.88 -0.34 0.00 0.00 178.44 179.89 3hc8 h TYR 829 N 0.06 0.34 0.16 1.25 0.05 -1.01 -1.15 116.97 116.67 3hc8 h TYR 829 Ca 0.05 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.72 3hc8 h TYR 829 Cb 0.28 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3hc8 h TYR 829 CO 0.01 0.74 -0.17 0.93 -1.05 0.00 0.00 178.16 178.62 3hc8 h GLU 830 N 0.22 -0.35 -0.89 4.88 5.08 -1.08 -0.98 114.58 121.46 3hc8 h GLU 830 Ca 0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hc8 h GLU 830 Cb 0.99 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3hc8 h GLU 830 CO 0.08 -0.23 0.54 0.00 -1.00 0.00 0.00 179.01 178.40 3hc8 h ALA 831 N 0.44 1.27 -0.59 3.43 0.00 -0.93 0.10 119.26 122.98 3hc8 h ALA 831 Ca 0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3hc8 h ALA 831 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hc8 h ALA 831 CO -0.05 0.63 -0.02 1.25 0.00 0.00 0.00 179.25 181.06 3hc8 h LEU 832 N 1.23 1.04 -1.23 0.00 5.85 -1.13 -1.38 115.31 119.69 3hc8 h LEU 832 Ca 0.32 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3hc8 h LEU 832 Cb -0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3hc8 h LEU 832 CO -0.06 1.10 0.06 0.74 -0.34 0.00 0.00 178.44 179.94 3hc8 h THR 833 N 0.96 1.19 -0.76 1.05 2.02 -0.50 0.33 112.91 117.20 3hc8 h THR 833 Ca 0.17 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 3hc8 h THR 833 Cb 0.58 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3hc8 h THR 833 CO 0.03 0.26 0.34 0.45 0.37 0.00 0.00 175.52 176.97 3hc8 h HIS 834 N 0.58 1.12 -0.40 3.16 3.86 -0.47 -2.06 115.15 120.94 3hc8 h HIS 834 Ca 0.13 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 3hc8 h HIS 834 Cb 0.27 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 3hc8 h HIS 834 CO 0.01 0.84 -0.01 0.28 0.86 0.00 0.00 177.93 179.91 3hc8 h VAL 835 N 1.08 1.26 -2.30 2.45 2.07 -0.65 -3.42 116.25 116.74 3hc8 h VAL 835 Ca 0.26 -1.03 -0.27 0.00 0.82 0.00 0.00 66.70 66.47 3hc8 h VAL 835 Cb 0.16 1.13 -0.34 0.00 -1.52 0.00 0.00 31.29 30.73 3hc8 h VAL 835 CO -0.03 0.35 -0.59 -0.55 0.02 0.00 0.00 177.57 176.78 3hc8 s SER 836 N -6.23 1.09 0.55 0.57 0.15 0.05 -5.03 113.70 104.85 3hc8 s SER 836 Ca -0.13 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 56.62 3hc8 s SER 836 Cb 0.10 0.61 1.46 0.00 -1.71 0.00 0.00 66.02 66.48 3hc8 s SER 836 CO 0.80 -0.33 2.02 -0.08 1.20 0.00 0.00 173.24 176.85 3hc8 h GLU 837 N 8.27 0.00 0.00 5.44 4.57 -1.64 0.65 114.58 131.87 3hc8 h GLU 837 Ca -0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3hc8 h GLU 837 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3hc8 h GLU 837 CO 0.29 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.87 3hc8 n ASP 838 N -4.16 0.00 -0.21 1.04 8.00 -1.26 -1.64 116.55 118.32 3hc8 n ASP 838 Ca 0.07 0.37 0.15 0.00 0.71 0.00 0.00 54.79 56.09 3hc8 n ASP 838 Cb 0.52 -0.43 0.74 0.00 -0.02 0.00 0.00 41.12 41.93 3hc8 n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hc8 h PHE 840 N 1.03 0.17 -0.98 0.00 3.57 -1.48 -1.80 116.94 117.44 3hc8 h PHE 840 Ca 0.00 0.06 0.27 0.00 3.53 0.00 0.00 57.97 61.83 3hc8 h PHE 840 Cb 0.24 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 3hc8 h PHE 840 CO 0.00 -0.34 0.68 -1.35 -2.23 0.00 0.00 178.31 175.07 3hc8 h PRO 841 N 0.09 0.15 -0.43 6.41 0.11 -1.86 0.29 132.00 136.77 3hc8 h PRO 841 Ca 0.59 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.64 3hc8 h PRO 841 Cb 1.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hc8 h PRO 841 CO -0.79 0.10 0.09 -0.07 -0.21 0.00 0.00 178.00 177.12 3hc8 h LEU 842 N 0.16 0.66 -0.24 2.35 3.38 -1.67 -0.48 115.31 119.47 3hc8 h LEU 842 Ca 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3hc8 h LEU 842 Cb 1.67 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3hc8 h LEU 842 CO -0.10 0.74 0.05 0.25 0.09 0.00 0.00 178.44 179.47 3hc8 h LEU 843 N 0.56 0.37 -0.18 1.67 5.85 -0.64 -1.75 115.31 121.18 3hc8 h LEU 843 Ca 0.13 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3hc8 h LEU 843 Cb 0.35 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3hc8 h LEU 843 CO 0.00 0.52 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.76 3hc8 h ASP 844 N 0.21 -0.27 -0.69 1.25 3.58 -0.81 -0.92 116.42 118.77 3hc8 h ASP 844 Ca 0.07 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.63 3hc8 h ASP 844 Cb 0.30 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 3hc8 h ASP 844 CO 0.00 -0.10 0.42 1.23 -2.88 0.00 0.00 179.24 177.91 3hc8 h GLY 845 N -0.05 1.00 0.87 -0.78 0.00 -0.96 -1.28 103.07 101.87 3hc8 h GLY 845 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3hc8 h GLY 845 CO -0.22 0.24 0.04 0.00 0.00 0.00 0.00 176.54 176.61 3hc8 h ARG 847 N 0.02 0.54 -0.64 0.00 3.08 -0.81 -0.50 114.38 116.07 3hc8 h ARG 847 Ca 0.04 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3hc8 h ARG 847 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hc8 h ARG 847 CO -0.00 0.36 0.08 0.87 -1.07 0.00 0.00 179.97 180.21 3hc8 h LYS 848 N 0.56 1.08 -0.19 0.04 1.57 -1.08 -2.54 116.57 116.01 3hc8 h LYS 848 Ca 0.26 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3hc8 h LYS 848 Cb 0.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hc8 h LYS 848 CO -0.19 1.01 -0.47 -0.91 -0.57 0.00 0.00 179.45 178.32 3hc8 h ASN 849 N 1.00 0.54 -0.39 0.86 -0.26 -0.99 -2.35 115.58 113.99 3hc8 h ASN 849 Ca 0.19 -0.26 0.06 0.00 -0.56 0.00 0.00 56.30 55.73 3hc8 h ASN 849 Cb 0.47 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 3hc8 h ASN 849 CO 0.02 0.93 0.07 -0.09 -1.06 0.00 0.00 177.43 177.30 3hc8 h ARG 850 N 0.40 0.19 -0.55 0.81 1.12 -0.91 -0.29 114.38 115.16 3hc8 h ARG 850 Ca 0.02 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3hc8 h ARG 850 Cb 0.98 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.87 3hc8 h ARG 850 CO 0.09 0.13 0.33 0.37 -3.11 0.00 0.00 179.97 177.78 3hc8 h GLN 851 N 0.20 0.74 -0.01 0.20 -0.00 -1.30 0.17 115.11 115.12 3hc8 h GLN 851 Ca 0.19 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.77 3hc8 h GLN 851 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 3hc8 h GLN 851 CO -0.25 0.53 0.00 0.87 0.00 0.00 0.00 178.83 179.99 3hc8 h LYS 852 N 0.73 0.01 -0.93 1.69 1.79 -1.01 0.12 116.57 118.97 3hc8 h LYS 852 Ca 0.20 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3hc8 h LYS 852 Cb -0.02 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 3hc8 h LYS 852 CO -0.04 0.04 0.59 -1.49 -1.08 0.00 0.00 179.45 177.48 3hc8 h TRP 853 N -0.03 1.20 -0.60 -1.35 4.06 -0.88 -2.09 115.95 116.26 3hc8 h TRP 853 Ca 0.00 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 3hc8 h TRP 853 Cb 0.04 -0.40 -0.03 0.00 -1.00 0.00 0.00 29.16 27.77 3hc8 h TRP 853 CO -0.07 0.77 0.17 0.37 -3.56 0.00 0.00 178.44 176.12 3hc8 h GLN 854 N 1.27 0.91 -0.73 0.49 5.75 -0.19 -0.44 115.11 122.17 3hc8 h GLN 854 Ca 0.34 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3hc8 h GLN 854 Cb -0.11 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.27 3hc8 h GLN 854 CO -0.07 0.80 0.37 0.00 -2.65 0.00 0.00 178.83 177.29 3hc8 h ALA 855 N 1.30 1.28 -0.30 3.38 0.00 -0.20 0.76 119.26 125.49 3hc8 h ALA 855 Ca 0.19 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3hc8 h ALA 855 Cb 0.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hc8 h ALA 855 CO -0.00 0.57 -0.47 -0.07 0.00 0.00 0.00 179.25 179.28 3hc8 h LEU 856 N 1.03 0.85 -0.02 0.00 3.38 -0.83 -3.34 115.31 116.39 3hc8 h LEU 856 Ca 0.26 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 3hc8 h LEU 856 Cb 0.07 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hc8 h LEU 856 CO -0.04 1.18 -0.66 0.00 0.09 0.00 0.00 178.44 179.02 3hc8 h ALA 857 N 0.85 0.10 0.00 1.53 0.00 -0.49 -3.50 119.26 117.74 3hc8 h ALA 857 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hc8 h ALA 857 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hc8 h ALA 857 CO 0.10 0.41 0.00 -0.85 0.00 0.00 0.00 179.25 178.91