#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdz n ARG 538 N 0.00 0.00 0.00 -0.78 3.00 -1.26 -3.59 116.66 114.03 3hdz n ARG 538 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3hdz n ARG 538 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 32.46 32.76 3hdz n ARG 538 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3hdz h GLU 539 N 0.00 0.51 -0.27 -0.14 4.81 -2.04 -2.59 114.58 114.87 3hdz h GLU 539 Ca 0.00 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3hdz h GLU 539 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hdz h GLU 539 CO 0.00 0.54 0.14 1.25 -0.73 0.00 0.00 179.01 180.21 3hdz h LEU 540 N 0.50 0.34 -0.67 1.64 5.85 -1.95 0.13 115.31 121.14 3hdz h LEU 540 Ca 0.11 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hdz h LEU 540 Cb 0.32 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hdz h LEU 540 CO 0.01 0.34 0.42 1.56 -0.34 0.00 0.00 178.44 180.43 3hdz h GLN 541 N 0.31 0.81 -0.32 1.25 4.20 -1.83 0.29 115.11 119.82 3hdz h GLN 541 Ca 0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3hdz h GLN 541 Cb 0.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hdz h GLN 541 CO -0.01 0.53 -0.07 0.77 -0.67 0.00 0.00 178.83 179.38 3hdz h SER 542 N 0.83 0.63 -0.07 1.46 0.02 -1.24 -2.08 113.55 113.10 3hdz h SER 542 Ca 0.26 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3hdz h SER 542 Cb -0.00 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3hdz h SER 542 CO -0.10 0.84 -0.02 0.25 -1.14 0.00 0.00 176.83 176.67 3hdz h LEU 543 N 0.40 0.13 -1.22 5.07 6.46 -0.46 -2.99 115.31 122.70 3hdz h LEU 543 Ca 0.08 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 3hdz h LEU 543 Cb 0.57 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 3hdz h LEU 543 CO 0.03 0.47 0.02 0.00 -0.62 0.00 0.00 178.44 178.34 3hdz h ALA 544 N 0.67 1.37 0.00 1.25 0.00 -0.47 -2.86 119.26 119.22 3hdz h ALA 544 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3hdz h ALA 544 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hdz h ALA 544 CO 0.01 0.44 -0.53 0.00 0.00 0.00 0.00 179.25 179.17 3hdz h ALA 545 N 1.50 1.00 -2.88 0.00 0.00 -1.37 -3.47 119.26 114.04 3hdz h ALA 545 Ca 0.12 -0.48 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 3hdz h ALA 545 Cb 0.31 -0.09 0.08 0.00 0.00 0.00 0.00 17.79 18.10 3hdz h ALA 545 CO 0.01 0.66 0.64 0.00 0.00 0.00 0.00 179.25 180.56 3hdz s ALA 546 N -3.63 3.38 0.05 0.00 0.00 -1.08 -4.99 121.76 115.49 3hdz s ALA 546 Ca -0.01 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3hdz s ALA 546 Cb 0.12 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3hdz s ALA 546 CO 0.74 -0.78 1.13 0.08 0.00 0.00 0.00 175.76 176.92 3hdz s VAL 547 N -1.20 4.28 -0.29 0.00 1.01 -1.26 -5.00 120.40 117.94 3hdz s VAL 547 Ca 0.53 1.64 -0.21 0.00 0.00 0.00 0.00 61.98 63.95 3hdz s VAL 547 Cb -0.40 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 3hdz s VAL 547 CO 0.52 0.13 0.65 -0.69 0.00 0.00 0.00 175.10 175.72 3hdz s VAL 548 N 1.01 4.93 0.90 2.92 1.01 -1.26 -5.04 120.40 124.87 3hdz s VAL 548 Ca 0.56 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 3hdz s VAL 548 Cb -0.27 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.24 3hdz s VAL 548 CO 0.29 -0.10 1.11 -2.84 0.00 0.00 0.00 175.10 173.56 3hdz s PRO 549 N 2.62 1.21 0.79 2.72 0.02 -1.26 -4.98 135.00 136.12 3hdz s PRO 549 Ca 0.27 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 3hdz s PRO 549 Cb -0.15 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.66 3hdz s PRO 549 CO 0.11 -2.40 1.09 -1.54 -0.33 0.00 0.00 177.00 173.93 3hdz s SER 550 N -3.00 4.38 0.24 2.53 1.04 -1.26 -4.84 113.70 112.79 3hdz s SER 550 Ca 0.65 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.82 3hdz s SER 550 Cb -0.21 -2.50 0.29 0.00 0.10 0.00 0.00 66.02 63.71 3hdz s SER 550 CO 0.58 -2.11 1.87 0.00 0.98 0.00 0.00 173.24 174.55 3hdz h ALA 551 N -1.18 1.15 -0.22 5.32 0.00 -1.93 -1.53 119.26 120.86 3hdz h ALA 551 Ca -0.44 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3hdz h ALA 551 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hdz h ALA 551 CO 0.51 0.35 0.11 -0.56 0.00 0.00 0.00 179.25 179.65 3hdz h GLN 552 N 1.03 0.22 -0.80 0.00 3.07 -1.97 -0.30 115.11 116.35 3hdz h GLN 552 Ca 0.35 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 59.10 3hdz h GLN 552 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.54 3hdz h GLN 552 CO -0.14 0.15 0.53 1.15 0.09 0.00 0.00 178.83 180.60 3hdz h THR 553 N 0.23 1.18 0.00 1.86 2.02 -1.85 -2.84 112.91 113.50 3hdz h THR 553 Ca 0.09 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3hdz h THR 553 Cb 0.02 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3hdz h THR 553 CO -0.06 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.20 3hdz n LEU 554 N -4.55 0.18 -0.97 2.58 4.77 -0.60 -4.93 117.00 113.48 3hdz n LEU 554 Ca 0.09 0.52 -0.13 0.00 -0.03 0.00 0.00 56.01 56.46 3hdz n LEU 554 Cb 0.04 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 3hdz n LEU 554 CO 0.35 -0.05 -0.12 0.29 -1.33 0.00 0.00 177.39 176.53 3hdz n LYS 555 N -1.67 -1.17 0.00 3.23 5.02 -0.16 -4.89 118.16 118.52 3hdz n LYS 555 Ca 0.07 0.92 0.10 0.00 -2.02 0.00 0.00 58.31 57.38 3hdz n LYS 555 Cb 0.35 -5.08 0.46 0.00 -0.02 0.00 0.00 35.03 30.75 3hdz n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hdz n ILE 556 N -2.49 0.51 0.70 -0.18 -5.35 -1.20 -2.08 119.36 109.27 3hdz n ILE 556 Ca -0.13 0.13 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 3hdz n ILE 556 Cb 0.49 -0.76 0.45 0.00 -1.74 0.00 0.00 39.64 38.08 3hdz n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3hdz n THR 557 N -1.49 0.48 -2.73 7.28 -1.04 -1.26 -4.12 114.28 111.39 3hdz n THR 557 Ca 0.05 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 3hdz n THR 557 Cb 0.25 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 3hdz n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hdz s ASP 558 N -4.23 7.20 0.52 8.00 1.01 -0.88 -4.53 116.67 123.77 3hdz s ASP 558 Ca 0.11 1.47 0.19 0.00 0.71 0.00 0.00 52.55 55.04 3hdz s ASP 558 Cb 0.14 -2.54 1.31 0.00 1.01 0.00 0.00 42.92 42.84 3hdz s ASP 558 CO 0.58 -0.41 2.09 -0.26 0.21 0.00 0.00 175.17 177.38 3hdz h PHE 559 N 7.09 0.01 -0.20 4.23 0.04 -1.89 -2.42 116.94 123.80 3hdz h PHE 559 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3hdz h PHE 559 Cb 1.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3hdz h PHE 559 CO 0.71 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 177.29 3hdz n SER 560 N -4.48 1.20 -4.52 2.17 3.41 -1.26 -4.89 113.62 105.25 3hdz n SER 560 Ca 0.02 -1.91 -0.44 0.00 -0.26 0.00 0.00 58.87 56.28 3hdz n SER 560 Cb 0.28 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3hdz n SER 560 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hdz n PHE 561 N 0.12 0.53 -4.93 7.33 7.35 -0.91 -4.77 117.46 122.17 3hdz n PHE 561 Ca 0.09 0.72 -0.29 0.00 -0.76 0.00 0.00 57.45 57.21 3hdz n PHE 561 Cb 0.20 -2.13 -0.17 0.00 0.35 0.00 0.00 39.48 37.73 3hdz n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hdz s SER 562 N -0.75 2.60 0.21 -2.13 0.15 -1.26 -5.02 113.70 107.50 3hdz s SER 562 Ca 0.61 -0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.04 3hdz s SER 562 Cb -0.71 -1.19 0.44 0.00 -1.71 0.00 0.00 66.02 62.85 3hdz s SER 562 CO 0.59 0.10 1.47 -2.24 1.20 0.00 0.00 173.24 174.36 3hdz h ASP 563 N 6.87 0.00 -0.83 5.45 2.03 -1.97 -3.41 116.42 124.56 3hdz h ASP 563 Ca -0.24 -0.09 0.16 0.00 -0.73 0.00 0.00 57.03 56.13 3hdz h ASP 563 Cb 1.22 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.66 3hdz h ASP 563 CO 0.48 0.04 0.55 0.15 -1.03 0.00 0.00 179.24 179.43 3hdz h PHE 564 N 0.00 0.59 -0.01 4.15 3.57 -2.01 -0.45 116.94 122.79 3hdz h PHE 564 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hdz h PHE 564 Cb 0.82 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3hdz h PHE 564 CO 0.00 0.21 -0.12 0.39 -2.23 0.00 0.00 178.31 176.56 3hdz n GLU 565 N -4.51 0.98 -3.73 1.11 4.71 -1.26 -4.90 120.64 113.05 3hdz n GLU 565 Ca 0.16 -0.45 -0.34 0.00 -0.01 0.00 0.00 57.16 56.52 3hdz n GLU 565 Cb 0.56 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 3hdz n GLU 565 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hdz s LEU 566 N -2.33 4.35 0.78 -4.62 1.43 -0.18 -5.10 118.68 113.01 3hdz s LEU 566 Ca 0.31 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 3hdz s LEU 566 Cb 0.20 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.64 3hdz s LEU 566 CO 0.45 0.20 1.10 -0.94 0.23 0.00 0.00 176.35 177.39 3hdz s SER 567 N -1.87 4.66 0.20 2.29 1.04 -1.26 -4.87 113.70 113.88 3hdz s SER 567 Ca 0.31 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 3hdz s SER 567 Cb -0.13 -2.01 0.24 0.00 0.10 0.00 0.00 66.02 64.22 3hdz s SER 567 CO 0.18 -1.86 1.73 0.44 0.98 0.00 0.00 173.24 174.71 3hdz h ASP 568 N -1.01 0.10 -0.72 7.02 3.45 -1.99 -0.93 116.42 122.34 3hdz h ASP 568 Ca -0.47 0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.14 3hdz h ASP 568 Cb 1.27 0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 40.08 3hdz h ASP 568 CO 0.60 0.07 0.43 0.25 -1.57 0.00 0.00 179.24 179.02 3hdz h LEU 569 N 0.31 0.65 -0.76 1.55 5.85 -1.99 -1.38 115.31 119.55 3hdz h LEU 569 Ca 0.28 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3hdz h LEU 569 Cb 0.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hdz h LEU 569 CO -0.33 0.43 0.25 -0.33 -0.34 0.00 0.00 178.44 178.12 3hdz h GLU 570 N 0.79 1.17 -0.30 1.25 5.08 -1.68 -0.72 114.58 120.17 3hdz h GLU 570 Ca 0.32 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3hdz h GLU 570 Cb 0.16 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hdz h GLU 570 CO -0.17 0.98 -0.06 1.79 -1.00 0.00 0.00 179.01 180.56 3hdz h THR 571 N 1.12 1.21 -0.39 1.13 1.35 -0.72 -1.12 112.91 115.49 3hdz h THR 571 Ca 0.25 -0.87 -0.04 0.00 -0.55 0.00 0.00 66.41 65.19 3hdz h THR 571 Cb 0.29 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 3hdz h THR 571 CO -0.01 0.29 0.07 0.00 -0.25 0.00 0.00 175.52 175.62 3hdz h ALA 572 N 1.48 0.52 -0.61 6.62 0.00 -0.58 -1.40 119.26 125.30 3hdz h ALA 572 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hdz h ALA 572 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hdz h ALA 572 CO 0.02 0.23 0.39 -0.07 0.00 0.00 0.00 179.25 179.82 3hdz h LEU 573 N 0.50 0.67 -0.79 0.00 3.38 -0.89 -1.39 115.31 116.80 3hdz h LEU 573 Ca 0.12 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3hdz h LEU 573 Cb 0.36 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3hdz h LEU 573 CO 0.01 0.48 0.44 0.00 0.09 0.00 0.00 178.44 179.45 3hdz h THR 575 N 0.74 1.25 -0.75 0.00 2.02 -0.71 -1.35 112.91 114.12 3hdz h THR 575 Ca 0.38 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.66 3hdz h THR 575 Cb 0.35 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3hdz h THR 575 CO -0.25 0.33 0.44 0.40 0.37 0.00 0.00 175.52 176.82 3hdz h ILE 576 N 0.60 0.99 -0.69 3.11 2.04 -0.90 -2.45 117.51 120.22 3hdz h ILE 576 Ca 0.13 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3hdz h ILE 576 Cb 0.43 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3hdz h ILE 576 CO 0.02 0.15 0.35 -0.09 0.00 0.00 0.00 178.15 178.57 3hdz h ARG 577 N 0.80 0.97 -0.30 2.37 9.65 -0.76 -0.91 114.38 126.20 3hdz h ARG 577 Ca 0.33 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3hdz h ARG 577 Cb 0.19 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3hdz h ARG 577 CO -0.18 0.74 0.18 0.52 2.80 0.00 0.00 179.97 184.03 3hdz h MET 578 N 0.97 0.41 -0.28 0.20 2.86 -0.80 0.44 114.93 118.73 3hdz h MET 578 Ca 0.24 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3hdz h MET 578 Cb 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3hdz h MET 578 CO -0.03 0.32 0.18 0.74 1.06 0.00 0.00 176.91 179.17 3hdz h PHE 579 N 0.39 0.36 0.00 -0.22 -1.00 -1.13 -2.19 116.94 113.16 3hdz h PHE 579 Ca 0.11 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 3hdz h PHE 579 Cb 0.01 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.45 3hdz h PHE 579 CO -0.04 0.24 -0.00 1.15 -1.61 0.00 0.00 178.31 178.05 3hdz h THR 580 N 0.37 1.05 -0.00 -1.55 2.02 -0.95 -2.22 112.91 111.64 3hdz h THR 580 Ca 0.10 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3hdz h THR 580 Cb -0.02 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3hdz h THR 580 CO -0.02 0.04 -0.06 0.47 0.37 0.00 0.00 175.52 176.32 3hdz n ASP 581 N -5.06 0.12 -1.38 4.18 9.92 0.12 -2.17 116.55 122.28 3hdz n ASP 581 Ca -0.07 0.02 0.08 0.00 -0.53 0.00 0.00 54.79 54.28 3hdz n ASP 581 Cb 0.06 -0.29 0.30 0.00 -0.64 0.00 0.00 41.12 40.55 3hdz n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hdz n LEU 582 N -1.33 4.07 -3.38 0.64 4.77 -0.83 -4.96 117.00 115.98 3hdz n LEU 582 Ca 0.11 -2.05 -0.22 0.00 -0.03 0.00 0.00 56.01 53.81 3hdz n LEU 582 Cb 0.29 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3hdz n LEU 582 CO 0.26 0.68 0.23 -3.20 -1.33 0.00 0.00 177.39 174.02 3hdz n ASN 583 N 0.87 -6.12 -0.09 -1.43 5.15 -0.92 -4.90 115.26 107.82 3hdz n ASN 583 Ca 0.21 -0.50 -0.09 0.00 -0.60 0.00 0.00 54.58 53.60 3hdz n ASN 583 Cb 0.77 -4.75 -0.14 0.00 -0.53 0.00 0.00 39.78 35.13 3hdz n ASN 583 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hdz n LEU 584 N -4.70 0.11 0.17 1.20 4.32 -0.84 -4.15 117.00 113.11 3hdz n LEU 584 Ca 0.01 -0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3hdz n LEU 584 Cb 0.56 0.41 -0.04 0.00 -1.62 0.00 0.00 43.42 42.72 3hdz n LEU 584 CO 0.60 0.47 0.24 0.58 -1.22 0.00 0.00 177.39 178.06 3hdz h VAL 585 N 0.00 0.09 -0.36 4.08 2.07 -1.84 -2.55 116.25 117.73 3hdz h VAL 585 Ca -0.50 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.23 3hdz h VAL 585 Cb 2.12 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3hdz h VAL 585 CO 0.02 0.02 -0.34 1.56 0.02 0.00 0.00 177.57 178.86 3hdz h GLN 586 N -1.12 0.86 -0.70 1.57 4.20 -1.87 0.53 115.11 118.58 3hdz h GLN 586 Ca -0.05 -0.45 0.13 0.00 0.06 0.00 0.00 58.65 58.34 3hdz h GLN 586 Cb 0.43 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 3hdz h GLN 586 CO 0.09 1.09 0.24 -0.97 -0.67 0.00 0.00 178.83 178.61 3hdz h ASN 587 N 0.66 0.19 -0.32 1.46 -0.73 -1.72 -2.52 115.58 112.60 3hdz h ASN 587 Ca 0.06 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.34 3hdz h ASN 587 Cb 0.92 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.62 3hdz h ASN 587 CO 0.08 0.08 0.00 0.49 -0.37 0.00 0.00 177.43 177.71 3hdz n PHE 588 N -5.04 0.89 -3.83 0.67 3.01 -0.96 -4.98 117.46 107.22 3hdz n PHE 588 Ca 0.12 -0.74 -0.27 0.00 1.01 0.00 0.00 57.45 57.57 3hdz n PHE 588 Cb 0.37 -0.24 0.03 0.00 -0.01 0.00 0.00 39.48 39.64 3hdz n PHE 588 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3hdz n GLN 589 N -0.06 -5.42 -2.31 -1.08 3.00 -0.53 -4.33 117.38 106.65 3hdz n GLN 589 Ca 0.19 0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 57.37 3hdz n GLN 589 Cb 0.77 -5.39 -0.03 0.00 0.00 0.00 0.00 30.24 25.59 3hdz n GLN 589 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3hdz s MET 590 N -6.40 4.37 0.17 -1.09 -1.94 0.07 -4.82 119.30 109.66 3hdz s MET 590 Ca 0.44 1.89 -0.30 0.00 -1.71 0.00 0.00 55.69 56.01 3hdz s MET 590 Cb -0.22 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.20 3hdz s MET 590 CO 0.82 -0.36 1.10 0.15 -0.01 0.00 0.00 175.02 176.72 3hdz s LYS 591 N 1.27 4.59 0.20 2.03 3.01 -1.26 -4.81 119.74 124.76 3hdz s LYS 591 Ca 0.61 1.71 -0.11 0.00 -1.01 0.00 0.00 55.97 57.17 3hdz s LYS 591 Cb -0.32 -3.28 0.23 0.00 -1.01 0.00 0.00 37.83 33.45 3hdz s LYS 591 CO 0.29 0.06 1.74 1.25 0.51 0.00 0.00 175.35 179.21 3hdz h HIS 592 N 5.19 0.35 -0.41 3.18 2.76 -1.99 -0.86 115.15 123.37 3hdz h HIS 592 Ca -0.44 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 57.67 3hdz h HIS 592 Cb 1.21 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 3hdz h HIS 592 CO 0.63 0.10 -0.11 0.93 -1.30 0.00 0.00 177.93 178.17 3hdz h GLU 593 N 0.38 0.73 -0.28 5.26 3.07 -1.95 -1.06 114.58 120.73 3hdz h GLU 593 Ca 0.28 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 3hdz h GLU 593 Cb 0.33 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3hdz h GLU 593 CO -0.28 0.82 -0.19 0.28 -1.40 0.00 0.00 179.01 178.24 3hdz h VAL 594 N 0.66 1.30 -0.39 3.13 2.07 -1.61 -0.68 116.25 120.74 3hdz h VAL 594 Ca 0.11 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3hdz h VAL 594 Cb 0.58 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3hdz h VAL 594 CO 0.04 0.42 0.20 0.25 0.02 0.00 0.00 177.57 178.49 3hdz h LEU 595 N 0.36 0.50 -0.54 2.57 5.85 -0.98 0.19 115.31 123.26 3hdz h LEU 595 Ca 0.06 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hdz h LEU 595 Cb 0.72 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hdz h LEU 595 CO 0.05 0.48 0.33 0.00 -0.34 0.00 0.00 178.44 178.96 3hdz h ARG 597 N 0.66 0.67 -0.20 0.00 2.43 -0.72 -1.93 114.38 115.29 3hdz h ARG 597 Ca 0.22 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hdz h ARG 597 Cb 0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3hdz h ARG 597 CO -0.09 0.62 0.14 2.35 -1.51 0.00 0.00 179.97 181.47 3hdz h TRP 598 N 0.58 0.26 -0.57 2.20 7.01 -0.72 0.30 115.95 125.00 3hdz h TRP 598 Ca 0.15 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.21 3hdz h TRP 598 Cb 0.20 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 3hdz h TRP 598 CO 0.00 0.16 0.29 0.82 -2.79 0.00 0.00 178.44 176.92 3hdz h ILE 599 N 0.28 0.94 -0.58 2.65 2.04 -0.98 0.31 117.51 122.17 3hdz h ILE 599 Ca 0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3hdz h ILE 599 Cb -0.03 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3hdz h ILE 599 CO -0.02 0.10 0.04 -0.07 0.00 0.00 0.00 178.15 178.21 3hdz h LEU 600 N 0.55 0.93 -0.47 1.44 3.38 -1.01 -1.00 115.31 119.13 3hdz h LEU 600 Ca 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hdz h LEU 600 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3hdz h LEU 600 CO -0.18 0.96 0.22 0.28 0.09 0.00 0.00 178.44 179.81 3hdz h SER 601 N 0.90 0.62 0.14 -0.43 0.02 -0.26 0.14 113.55 114.67 3hdz h SER 601 Ca 0.17 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hdz h SER 601 Cb 0.47 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hdz h SER 601 CO 0.02 0.59 -0.09 0.58 -1.14 0.00 0.00 176.83 176.78 3hdz h VAL 602 N 0.61 0.80 -0.47 2.27 2.07 -0.77 -1.89 116.25 118.87 3hdz h VAL 602 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 3hdz h VAL 602 Cb 0.14 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3hdz h VAL 602 CO -0.02 0.00 0.11 0.50 0.02 0.00 0.00 177.57 178.18 3hdz h LYS 603 N -0.23 0.24 -0.22 1.57 3.64 -1.03 -2.34 116.57 118.21 3hdz h LYS 603 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hdz h LYS 603 Cb 0.19 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hdz h LYS 603 CO 0.01 0.16 0.06 -0.22 -2.27 0.00 0.00 179.45 177.18 3hdz h LYS 604 N 0.25 0.30 -0.29 1.90 3.64 -0.77 -2.77 116.57 118.83 3hdz h LYS 604 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3hdz h LYS 604 Cb 0.30 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3hdz h LYS 604 CO -0.30 0.28 0.00 0.09 -2.27 0.00 0.00 179.45 177.26 3hdz n ASN 605 N -4.42 1.65 -4.85 4.20 3.02 -0.73 -4.72 115.26 109.42 3hdz n ASN 605 Ca 0.00 -1.94 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 3hdz n ASN 605 Cb 0.14 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3hdz n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hdz s TYR 606 N -1.62 3.53 -0.51 3.10 1.51 -1.05 -0.91 117.35 121.41 3hdz s TYR 606 Ca 0.23 1.08 -0.24 0.00 -1.01 0.00 0.00 57.07 57.13 3hdz s TYR 606 Cb 0.12 -2.40 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3hdz s TYR 606 CO 0.17 0.33 0.88 1.03 -1.11 0.00 0.00 175.55 176.84 3hdz s ARG 607 N -2.32 3.36 0.54 -0.62 0.52 -1.26 -4.83 118.95 114.34 3hdz s ARG 607 Ca 0.43 -0.21 0.24 0.00 -0.52 0.00 0.00 55.73 55.67 3hdz s ARG 607 Cb -0.14 -4.01 1.49 0.00 0.52 0.00 0.00 34.95 32.81 3hdz s ARG 607 CO 0.20 -1.34 2.15 1.57 0.02 0.00 0.00 175.30 177.90 3hdz h LYS 608 N 9.17 0.00 -0.01 3.54 2.10 -1.92 -1.77 116.57 127.69 3hdz h LYS 608 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3hdz h LYS 608 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3hdz h LYS 608 CO 1.04 0.06 -0.16 0.09 -2.00 0.00 0.00 179.45 178.48 3hdz n ASN 609 N -4.03 0.71 -4.72 7.07 3.02 -1.26 -4.76 115.26 111.30 3hdz n ASN 609 Ca -0.03 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 3hdz n ASN 609 Cb 0.15 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3hdz n ASN 609 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hdz s VAL 610 N -2.47 4.21 0.14 2.41 1.01 -0.67 -4.95 120.40 120.09 3hdz s VAL 610 Ca 0.28 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.81 3hdz s VAL 610 Cb 0.20 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3hdz s VAL 610 CO 0.49 0.18 1.53 0.00 0.00 0.00 0.00 175.10 177.30 3hdz h ALA 611 N 6.28 0.61 0.00 5.51 0.00 -1.87 -3.39 119.26 126.41 3hdz h ALA 611 Ca -0.42 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 3hdz h ALA 611 Cb 1.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hdz h ALA 611 CO 0.77 0.56 -1.40 0.98 0.00 0.00 0.00 179.25 180.15 3hdz n TYR 612 N -4.21 0.00 -1.76 0.00 4.19 -1.26 -4.83 117.16 109.29 3hdz n TYR 612 Ca -0.01 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.78 3hdz n TYR 612 Cb 0.42 -0.37 0.00 0.00 0.49 0.00 0.00 39.34 39.88 3hdz n TYR 612 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3hdz n HIS 613 N -3.57 3.52 -4.27 2.98 8.25 -1.26 -4.27 115.22 116.59 3hdz n HIS 613 Ca -0.19 -2.97 -0.13 0.00 -0.26 0.00 0.00 57.72 54.16 3hdz n HIS 613 Cb 0.57 -2.53 -0.04 0.00 1.12 0.00 0.00 29.99 29.11 3hdz n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hdz n ASN 614 N 6.01 1.31 -0.36 0.41 0.23 -1.26 -4.52 115.26 117.07 3hdz n ASN 614 Ca 0.51 -2.12 0.11 0.00 -0.53 0.00 0.00 54.58 52.56 3hdz n ASN 614 Cb 0.39 0.48 0.29 0.00 -2.08 0.00 0.00 39.78 38.87 3hdz n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hdz h TRP 615 N 1.32 1.09 -0.22 -2.53 2.91 -1.86 -1.92 115.95 114.74 3hdz h TRP 615 Ca -0.17 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.84 3hdz h TRP 615 Cb 0.63 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 3hdz h TRP 615 CO 0.00 0.30 -0.07 0.00 -1.03 0.00 0.00 178.44 177.64 3hdz h ARG 616 N 0.84 0.34 -0.41 2.65 2.47 -1.97 0.80 114.38 119.09 3hdz h ARG 616 Ca 0.55 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 59.09 3hdz h ARG 616 Cb 0.77 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 3hdz h ARG 616 CO -0.35 0.43 -0.19 1.25 0.56 0.00 0.00 179.97 181.67 3hdz h HIS 617 N 0.32 0.99 -0.25 3.04 -0.00 -1.53 -0.10 115.15 117.63 3hdz h HIS 617 Ca 0.07 -0.24 -0.04 0.00 -0.00 0.00 0.00 60.37 60.16 3hdz h HIS 617 Cb 0.34 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3hdz h HIS 617 CO 0.01 1.02 0.01 0.00 -0.00 0.00 0.00 177.93 178.97 3hdz h ALA 618 N 0.82 0.33 -0.45 5.26 0.00 -1.24 -0.26 119.26 123.72 3hdz h ALA 618 Ca 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hdz h ALA 618 Cb 0.75 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3hdz h ALA 618 CO 0.06 0.05 0.17 0.35 0.00 0.00 0.00 179.25 179.88 3hdz h PHE 619 N 0.22 0.30 -0.31 0.00 3.57 -0.85 -1.04 116.94 118.83 3hdz h PHE 619 Ca 0.07 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3hdz h PHE 619 Cb 0.38 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3hdz h PHE 619 CO 0.03 0.12 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.18 3hdz h ASN 620 N 0.35 0.52 -0.40 0.41 2.35 -0.79 0.98 115.58 119.00 3hdz h ASN 620 Ca 0.21 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hdz h ASN 620 Cb 0.20 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3hdz h ASN 620 CO -0.21 0.68 0.14 0.74 -1.65 0.00 0.00 177.43 177.14 3hdz h THR 621 N 0.49 1.21 -0.53 2.81 2.02 -0.68 -0.82 112.91 117.41 3hdz h THR 621 Ca 0.09 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 3hdz h THR 621 Cb 0.52 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3hdz h THR 621 CO 0.03 0.24 -0.00 0.00 0.37 0.00 0.00 175.52 176.16 3hdz h ALA 622 N 0.98 0.99 -0.59 6.16 0.00 -0.80 -1.45 119.26 124.56 3hdz h ALA 622 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hdz h ALA 622 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hdz h ALA 622 CO -0.01 0.62 0.30 0.37 0.00 0.00 0.00 179.25 180.53 3hdz h GLN 623 N 0.84 0.84 -0.77 0.00 -0.00 -0.58 0.15 115.11 115.59 3hdz h GLN 623 Ca 0.16 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.65 58.65 3hdz h GLN 623 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 3hdz h GLN 623 CO 0.02 0.67 0.31 0.00 0.00 0.00 0.00 178.83 179.83 3hdz h MET 625 N 1.11 -0.24 -0.42 0.00 1.85 -0.85 0.24 114.93 116.62 3hdz h MET 625 Ca 0.26 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.43 3hdz h MET 625 Cb 0.21 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.24 3hdz h MET 625 CO -0.02 -0.16 0.07 0.35 -0.40 0.00 0.00 176.91 176.74 3hdz h PHE 626 N -0.25 0.10 -0.60 1.39 3.04 -0.64 -0.53 116.94 119.46 3hdz h PHE 626 Ca 0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 3hdz h PHE 626 Cb 0.31 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 3hdz h PHE 626 CO -0.20 -0.01 0.32 0.00 -2.02 0.00 0.00 178.31 176.40 3hdz h ALA 627 N 1.33 0.77 -0.67 2.41 0.00 -0.63 -0.51 119.26 121.96 3hdz h ALA 627 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hdz h ALA 627 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hdz h ALA 627 CO -0.29 0.30 0.37 0.00 0.00 0.00 0.00 179.25 179.62 3hdz h ALA 628 N 1.14 0.86 -0.47 0.00 0.00 -0.12 0.21 119.26 120.88 3hdz h ALA 628 Ca 0.21 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3hdz h ALA 628 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hdz h ALA 628 CO -0.03 0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 179.43 3hdz h LEU 629 N 0.91 0.83 0.00 0.00 3.38 -0.85 -2.19 115.31 117.38 3hdz h LEU 629 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hdz h LEU 629 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hdz h LEU 629 CO -0.04 0.94 0.00 0.29 0.09 0.00 0.00 178.44 179.73 3hdz n LYS 630 N -4.17 0.00 -0.23 1.13 4.76 -0.22 -1.63 118.16 117.80 3hdz n LYS 630 Ca 0.02 0.03 -0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3hdz n LYS 630 Cb 0.36 -0.32 0.22 0.00 -1.84 0.00 0.00 35.03 33.45 3hdz n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hdz h ALA 631 N -2.00 1.40 -0.00 7.82 0.00 -0.85 -1.90 119.26 123.73 3hdz h ALA 631 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hdz h ALA 631 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3hdz h ALA 631 CO 0.00 0.53 -0.00 0.41 0.00 0.00 0.00 179.25 180.19 3hdz n GLY 632 N -1.34 -1.37 2.45 0.00 0.00 -0.60 -4.73 105.19 99.61 3hdz n GLY 632 Ca 0.08 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 3hdz n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hdz n LYS 633 N -1.37 -2.07 0.15 1.61 5.02 -0.72 -4.23 118.16 116.55 3hdz n LYS 633 Ca 0.11 0.84 0.07 0.00 -2.02 0.00 0.00 58.31 57.31 3hdz n LYS 633 Cb 0.28 -5.34 0.06 0.00 -0.02 0.00 0.00 35.03 30.00 3hdz n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hdz h ILE 634 N -0.28 0.38 -0.28 -0.18 2.04 -1.22 -3.39 117.51 114.58 3hdz h ILE 634 Ca -0.43 -1.58 0.07 0.00 1.00 0.00 0.00 64.86 63.92 3hdz h ILE 634 Cb 1.31 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 39.40 3hdz h ILE 634 CO 0.49 0.22 -0.24 -0.61 0.00 0.00 0.00 178.15 178.01 3hdz h GLN 635 N 0.00 -0.22 0.00 2.37 4.15 -1.54 -1.14 115.11 118.73 3hdz h GLN 635 Ca -0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hdz h GLN 635 Cb 1.22 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.96 3hdz h GLN 635 CO 0.03 -0.14 0.00 0.09 -1.93 0.00 0.00 178.83 176.88 3hdz n ASN 636 N -5.38 0.13 -0.05 -0.69 5.03 -1.26 -1.84 115.26 111.20 3hdz n ASN 636 Ca -0.00 0.54 0.13 0.00 0.87 0.00 0.00 54.58 56.12 3hdz n ASN 636 Cb 0.29 -0.57 0.46 0.00 -1.02 0.00 0.00 39.78 38.95 3hdz n ASN 636 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hdz n LYS 637 N -1.65 0.26 -4.45 3.52 5.02 -0.43 -4.94 118.16 115.48 3hdz n LYS 637 Ca 0.02 -0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 3hdz n LYS 637 Cb 0.12 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 3hdz n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hdz s LEU 638 N -2.81 2.58 0.72 -0.35 1.43 -0.77 -5.07 118.68 114.42 3hdz s LEU 638 Ca 0.18 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 3hdz s LEU 638 Cb 0.19 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.38 3hdz s LEU 638 CO 0.58 0.02 1.09 0.42 0.23 0.00 0.00 176.35 178.69 3hdz s THR 639 N -2.54 3.47 0.23 5.49 -4.23 -1.26 -4.92 115.64 111.88 3hdz s THR 639 Ca 0.29 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 3hdz s THR 639 Cb -0.05 -3.40 0.20 0.00 1.34 0.00 0.00 72.50 70.60 3hdz s THR 639 CO 0.14 -0.62 1.89 0.44 -0.54 0.00 0.00 174.62 175.92 3hdz h ASP 640 N -0.75 0.94 -0.65 3.99 3.45 -1.99 -1.98 116.42 119.43 3hdz h ASP 640 Ca -0.45 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 56.90 3hdz h ASP 640 Cb 1.25 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3hdz h ASP 640 CO 0.62 0.66 0.06 -0.07 -1.57 0.00 0.00 179.24 178.94 3hdz h LEU 641 N 1.10 1.07 -0.64 1.55 4.07 -1.98 -0.59 115.31 119.89 3hdz h LEU 641 Ca 0.33 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3hdz h LEU 641 Cb -0.06 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.36 3hdz h LEU 641 CO -0.09 1.09 0.35 -0.33 -1.08 0.00 0.00 178.44 178.37 3hdz h GLU 642 N 1.02 0.90 -0.31 1.13 5.08 -1.87 -0.26 114.58 120.28 3hdz h GLU 642 Ca 0.19 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3hdz h GLU 642 Cb 0.50 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3hdz h GLU 642 CO 0.02 0.68 0.07 0.82 -1.00 0.00 0.00 179.01 179.60 3hdz h ILE 643 N 0.88 1.22 -0.43 3.13 2.04 -1.08 -0.17 117.51 123.10 3hdz h ILE 643 Ca 0.23 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3hdz h ILE 643 Cb 0.05 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3hdz h ILE 643 CO -0.04 0.25 0.13 0.25 0.00 0.00 0.00 178.15 178.74 3hdz h LEU 644 N 0.33 0.10 -0.43 1.44 5.85 -0.97 -1.99 115.31 119.63 3hdz h LEU 644 Ca 0.09 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3hdz h LEU 644 Cb 0.31 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hdz h LEU 644 CO 0.00 0.09 -0.14 0.00 -0.34 0.00 0.00 178.44 178.05 3hdz h ALA 645 N 1.30 0.60 -0.58 1.25 0.00 -0.81 -2.56 119.26 118.47 3hdz h ALA 645 Ca 0.21 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hdz h ALA 645 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hdz h ALA 645 CO -0.23 0.52 0.19 -0.07 0.00 0.00 0.00 179.25 179.65 3hdz h LEU 646 N 0.69 0.83 -0.31 0.00 3.38 -0.85 0.18 115.31 119.24 3hdz h LEU 646 Ca 0.11 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3hdz h LEU 646 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hdz h LEU 646 CO 0.05 0.81 -0.03 0.25 0.09 0.00 0.00 178.44 179.61 3hdz h LEU 647 N 0.81 0.56 -0.47 1.67 5.85 -1.32 0.14 115.31 122.55 3hdz h LEU 647 Ca 0.19 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3hdz h LEU 647 Cb 0.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3hdz h LEU 647 CO -0.01 0.76 0.23 0.40 -0.34 0.00 0.00 178.44 179.48 3hdz h ILE 648 N 0.35 1.18 -0.18 4.05 2.04 -1.38 -2.44 117.51 121.13 3hdz h ILE 648 Ca 0.08 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3hdz h ILE 648 Cb 0.49 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hdz h ILE 648 CO 0.02 0.20 0.10 0.00 0.00 0.00 0.00 178.15 178.48 3hdz h ALA 649 N 1.07 0.23 -0.45 1.87 0.00 -0.50 -0.95 119.26 120.53 3hdz h ALA 649 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hdz h ALA 649 Cb 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3hdz h ALA 649 CO -0.02 -0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.06 3hdz h ALA 650 N 1.01 0.49 -0.10 0.00 0.00 -0.63 0.20 119.26 120.23 3hdz h ALA 650 Ca 0.06 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hdz h ALA 650 Cb 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hdz h ALA 650 CO -0.01 -0.32 -0.39 -0.07 0.00 0.00 0.00 179.25 178.46 3hdz h LEU 651 N 0.22 0.21 -0.59 0.00 3.38 -1.26 -3.24 115.31 114.04 3hdz h LEU 651 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hdz h LEU 651 Cb 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hdz h LEU 651 CO -0.29 0.59 -0.57 -1.20 0.09 0.00 0.00 178.44 177.05 3hdz n SER 652 N -4.05 1.49 0.23 -0.43 7.64 -0.38 -4.71 113.62 113.42 3hdz n SER 652 Ca -0.01 -1.18 0.16 0.00 1.01 0.00 0.00 58.87 58.84 3hdz n SER 652 Cb 0.46 0.53 0.67 0.00 -1.01 0.00 0.00 64.21 64.86 3hdz n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3hdz h HIS 653 N 1.43 0.00 0.00 1.43 2.07 -0.64 -2.56 115.15 116.88 3hdz h HIS 653 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hdz h HIS 653 Cb 0.63 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.61 3hdz h HIS 653 CO 0.00 0.00 -0.14 -0.25 -3.07 0.00 0.00 177.93 174.47 3hdz n ASP 654 N -2.78 2.14 -4.64 3.10 8.00 -1.26 -4.81 116.55 116.29 3hdz n ASP 654 Ca 0.01 -3.25 -0.46 0.00 0.71 0.00 0.00 54.79 51.79 3hdz n ASP 654 Cb 0.24 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3hdz n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hdz n LEU 655 N -1.32 2.60 -2.58 0.64 4.77 -0.97 -1.69 117.00 118.46 3hdz n LEU 655 Ca 0.16 1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 57.08 3hdz n LEU 655 Cb 0.66 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3hdz n LEU 655 CO -0.00 -0.71 -0.18 -0.67 -1.33 0.00 0.00 177.39 174.50 3hdz n ASP 656 N 2.31 -5.48 -4.70 -1.43 2.03 -0.09 -4.38 116.55 104.82 3hdz n ASP 656 Ca 0.14 -0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.98 3hdz n ASP 656 Cb 0.28 -4.54 -0.03 0.00 -0.72 0.00 0.00 41.12 36.11 3hdz n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hdz s HIS 657 N -2.98 2.36 -1.69 -0.67 5.65 -0.68 -4.89 115.29 112.38 3hdz s HIS 657 Ca 0.08 0.09 0.29 0.00 0.25 0.00 0.00 55.06 55.77 3hdz s HIS 657 Cb -0.04 -4.16 1.61 0.00 -1.18 0.00 0.00 32.58 28.81 3hdz s HIS 657 CO 0.10 -4.68 2.05 -0.35 -0.65 0.00 0.00 174.74 171.21 3hdz n PRO 658 N 5.22 0.65 -1.04 2.88 -0.04 -1.26 -4.60 135.00 136.81 3hdz n PRO 658 Ca 0.17 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 3hdz n PRO 658 Cb 0.37 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 3hdz n PRO 658 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hdz n GLY 659 N 1.02 0.50 3.19 0.55 0.00 -1.26 -5.03 105.19 104.17 3hdz n GLY 659 Ca 0.18 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3hdz n GLY 659 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hdz s VAL 660 N -2.03 0.75 0.67 1.61 -7.23 -1.26 -4.61 120.40 108.30 3hdz s VAL 660 Ca 0.00 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 3hdz s VAL 660 Cb 0.00 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.19 3hdz s VAL 660 CO 0.00 -0.78 0.98 -0.94 -0.31 0.00 0.00 175.10 174.05 3hdz s SER 661 N -3.09 5.08 0.22 4.85 1.04 -1.26 -4.89 113.70 115.65 3hdz s SER 661 Ca 0.15 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.04 3hdz s SER 661 Cb 0.05 -1.31 0.29 0.00 0.10 0.00 0.00 66.02 65.15 3hdz s SER 661 CO -0.02 -1.42 1.81 0.78 0.98 0.00 0.00 173.24 175.36 3hdz h ASN 662 N -0.46 0.57 -0.69 7.02 2.35 -2.00 -1.57 115.58 120.81 3hdz h ASN 662 Ca -0.45 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3hdz h ASN 662 Cb 1.30 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.56 3hdz h ASN 662 CO 0.60 0.35 0.45 1.56 -1.65 0.00 0.00 177.43 178.74 3hdz h GLN 663 N 0.70 0.87 -0.52 0.81 7.50 -1.97 -0.35 115.11 122.15 3hdz h GLN 663 Ca 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.41 3hdz h GLN 663 Cb 0.24 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 3hdz h GLN 663 CO -0.21 0.58 0.27 0.35 -1.50 0.00 0.00 178.83 178.32 3hdz h PHE 664 N 0.90 0.72 -0.86 2.96 3.04 -1.78 -0.43 116.94 121.50 3hdz h PHE 664 Ca 0.26 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 3hdz h PHE 664 Cb -0.06 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 3hdz h PHE 664 CO -0.03 0.54 0.49 -0.07 -2.02 0.00 0.00 178.31 177.22 3hdz h LEU 665 N 0.69 1.05 -0.27 0.59 3.38 -0.69 -0.33 115.31 119.73 3hdz h LEU 665 Ca 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hdz h LEU 665 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hdz h LEU 665 CO -0.03 0.83 0.03 0.40 0.09 0.00 0.00 178.44 179.76 3hdz h ILE 666 N 1.19 1.24 0.00 1.22 2.04 -0.73 -0.33 117.51 122.15 3hdz h ILE 666 Ca 0.30 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hdz h ILE 666 Cb -0.00 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3hdz h ILE 666 CO -0.05 0.27 0.00 0.78 0.00 0.00 0.00 178.15 179.15 3hdz h ASN 667 N 0.25 0.00 -0.43 1.72 2.35 -0.64 -2.80 115.58 116.04 3hdz h ASN 667 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3hdz h ASN 667 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3hdz h ASN 667 CO 0.01 0.00 0.01 0.35 -1.65 0.00 0.00 177.43 176.15 3hdz n THR 668 N -3.09 2.55 -3.58 2.81 -2.24 -0.17 -4.97 114.28 105.59 3hdz n THR 668 Ca 0.02 -1.68 -0.23 0.00 -2.27 0.00 0.00 64.05 59.88 3hdz n THR 668 Cb 0.38 -0.27 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 3hdz n THR 668 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hdz n ASN 669 N -0.00 -6.28 -4.75 3.42 3.02 -1.06 -4.90 115.26 104.70 3hdz n ASN 669 Ca 0.25 -0.53 -0.41 0.00 -0.03 0.00 0.00 54.58 53.86 3hdz n ASN 669 Cb 1.06 -4.96 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 3hdz n ASN 669 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hdz s SER 670 N -3.32 6.38 0.39 6.41 0.15 -0.15 -4.88 113.70 118.68 3hdz s SER 670 Ca 0.57 2.93 0.12 0.00 0.70 0.00 0.00 55.95 60.27 3hdz s SER 670 Cb -0.25 -2.63 0.92 0.00 -1.71 0.00 0.00 66.02 62.34 3hdz s SER 670 CO 0.72 -0.91 1.91 -0.08 1.20 0.00 0.00 173.24 176.08 3hdz h GLU 671 N 4.94 0.55 -0.63 5.44 4.81 -1.90 -1.92 114.58 125.88 3hdz h GLU 671 Ca -0.47 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3hdz h GLU 671 Cb 1.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hdz h GLU 671 CO 0.80 0.36 0.28 -0.07 -0.73 0.00 0.00 179.01 179.66 3hdz h LEU 672 N 0.57 0.83 -0.86 1.64 4.07 -1.94 0.08 115.31 119.69 3hdz h LEU 672 Ca 0.39 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 3hdz h LEU 672 Cb 0.70 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3hdz h LEU 672 CO -0.15 0.75 0.13 0.00 -1.08 0.00 0.00 178.44 178.09 3hdz h ALA 673 N 1.12 1.07 -0.00 1.53 0.00 -1.66 -0.86 119.26 120.46 3hdz h ALA 673 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hdz h ALA 673 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hdz h ALA 673 CO -0.02 0.61 0.00 1.25 0.00 0.00 0.00 179.25 181.09 3hdz h LEU 674 N 0.93 0.01 -0.89 0.00 5.85 -1.22 0.15 115.31 120.14 3hdz h LEU 674 Ca 0.20 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.78 3hdz h LEU 674 Cb 0.36 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 3hdz h LEU 674 CO 0.00 0.27 0.50 0.24 -0.34 0.00 0.00 178.44 179.12 3hdz h MET 675 N -0.26 0.74 -0.35 1.25 2.86 -0.73 -2.95 114.93 115.47 3hdz h MET 675 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3hdz h MET 675 Cb 0.27 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3hdz h MET 675 CO 0.00 0.49 0.01 0.66 1.06 0.00 0.00 176.91 179.13 3hdz n TYR 676 N -4.77 1.26 -4.39 -0.22 4.02 -0.35 -4.97 117.16 107.74 3hdz n TYR 676 Ca 0.17 -0.90 -0.36 0.00 -0.01 0.00 0.00 57.90 56.80 3hdz n TYR 676 Cb 0.39 -0.38 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 3hdz n TYR 676 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3hdz n ASN 677 N -0.30 -0.31 -0.38 7.72 0.23 -0.52 -1.63 115.26 120.07 3hdz n ASN 677 Ca 0.24 -1.25 -0.05 0.00 -0.53 0.00 0.00 54.58 52.99 3hdz n ASN 677 Cb 0.99 -1.69 -0.02 0.00 -2.08 0.00 0.00 39.78 36.98 3hdz n ASN 677 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hdz n ASP 678 N -2.72 -5.18 -4.35 0.53 8.00 -0.07 -4.96 116.55 107.79 3hdz n ASP 678 Ca -0.14 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.12 3hdz n ASP 678 Cb 0.60 -3.12 -0.13 0.00 -0.02 0.00 0.00 41.12 38.45 3hdz n ASP 678 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hdz s GLU 679 N -2.10 3.33 -1.44 -1.24 2.02 -0.65 -4.63 118.70 114.00 3hdz s GLU 679 Ca 0.00 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 3hdz s GLU 679 Cb 0.00 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3hdz s GLU 679 CO 0.00 -0.29 0.29 0.43 0.02 0.00 0.00 175.26 175.71 3hdz n SER 680 N 4.85 -0.30 0.31 -0.19 7.64 -1.26 -4.81 113.62 119.86 3hdz n SER 680 Ca -0.16 -1.13 -0.17 0.00 1.01 0.00 0.00 58.87 58.41 3hdz n SER 680 Cb 0.50 -2.41 -0.08 0.00 -1.01 0.00 0.00 64.21 61.21 3hdz n SER 680 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hdz h VAL 681 N -1.87 0.33 -0.65 0.44 2.07 -1.89 -0.04 116.25 114.64 3hdz h VAL 681 Ca -0.65 0.00 0.11 0.00 0.82 0.00 0.00 66.70 66.98 3hdz h VAL 681 Cb 1.39 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 3hdz h VAL 681 CO 0.64 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 178.40 3hdz h LEU 681 N -0.82 0.22 -0.57 2.57 3.38 -1.94 -2.25 115.31 115.89 3hdz h LEU 681 Ca -0.07 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3hdz h LEU 681 Cb 0.67 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hdz h LEU 681 CO 0.07 0.12 -0.57 -0.33 0.09 0.00 0.00 178.44 177.82 3hdz h GLU 682 N 0.41 0.43 -0.95 1.13 3.07 -1.80 0.15 114.58 117.02 3hdz h GLU 682 Ca 0.33 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3hdz h GLU 682 Cb 0.44 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 3hdz h GLU 682 CO -0.34 0.88 0.58 0.45 -1.40 0.00 0.00 179.01 179.18 3hdz h HIS 683 N 0.32 1.25 -0.54 4.33 3.86 -0.84 -0.92 115.15 122.61 3hdz h HIS 683 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3hdz h HIS 683 Cb 1.10 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3hdz h HIS 683 CO 0.04 0.82 0.07 1.25 0.86 0.00 0.00 177.93 180.97 3hdz h HIS 684 N 1.31 0.98 -0.77 2.45 -0.00 -0.59 -0.62 115.15 117.90 3hdz h HIS 684 Ca 0.34 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3hdz h HIS 684 Cb -0.07 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.04 3hdz h HIS 684 CO 0.00 0.87 0.35 0.45 -0.00 0.00 0.00 177.93 179.61 3hdz h HIS 685 N 0.80 1.14 -0.52 5.26 3.86 -0.53 -1.07 115.15 124.09 3hdz h HIS 685 Ca 0.16 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 3hdz h HIS 685 Cb 0.43 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3hdz h HIS 685 CO 0.03 0.84 0.17 0.35 0.86 0.00 0.00 177.93 180.18 3hdz h PHE 686 N 1.10 0.83 -0.39 2.45 3.57 -0.95 0.19 116.94 123.74 3hdz h PHE 686 Ca 0.26 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3hdz h PHE 686 Cb 0.15 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3hdz h PHE 686 CO 0.01 0.71 0.03 0.22 -2.23 0.00 0.00 178.31 177.06 3hdz h ASP 687 N 0.71 -0.09 -0.62 0.41 3.58 -0.67 -1.12 116.42 118.61 3hdz h ASP 687 Ca 0.17 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 3hdz h ASP 687 Cb 0.27 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 3hdz h ASP 687 CO -0.01 -0.01 0.14 1.56 -2.88 0.00 0.00 179.24 178.04 3hdz h GLN 688 N 0.14 1.00 -0.11 0.28 1.08 -1.07 -1.40 115.11 115.04 3hdz h GLN 688 Ca 0.19 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3hdz h GLN 688 Cb 0.25 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 3hdz h GLN 688 CO -0.29 0.92 -0.13 0.00 -0.95 0.00 0.00 178.83 178.37 3hdz h LEU 690 N -0.17 0.14 -0.72 0.00 4.07 -1.10 -1.68 115.31 115.85 3hdz h LEU 690 Ca 0.08 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.16 3hdz h LEU 690 Cb 0.29 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 3hdz h LEU 690 CO -0.21 0.12 0.39 -0.03 -1.08 0.00 0.00 178.44 177.62 3hdz h MET 691 N 0.28 0.67 -0.21 1.13 4.05 -0.91 -0.53 114.93 119.41 3hdz h MET 691 Ca 0.17 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.37 3hdz h MET 691 Cb 0.15 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3hdz h MET 691 CO -0.18 0.44 -0.56 0.82 0.23 0.00 0.00 176.91 177.66 3hdz h ILE 692 N 0.69 1.30 -0.03 1.77 2.04 -1.19 -1.90 117.51 120.18 3hdz h ILE 692 Ca 0.34 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.43 3hdz h ILE 692 Cb 0.28 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3hdz h ILE 692 CO -0.22 0.56 0.02 -0.07 0.00 0.00 0.00 178.15 178.44 3hdz h LEU 693 N 0.49 0.00 -0.46 1.44 3.38 -0.81 -2.12 115.31 117.23 3hdz h LEU 693 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hdz h LEU 693 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hdz h LEU 693 CO 0.12 0.00 -0.49 0.59 0.09 0.00 0.00 178.44 178.75 3hdz n ASN 694 N -4.44 1.20 -4.74 -0.43 3.02 -0.25 -4.06 115.26 105.56 3hdz n ASN 694 Ca -0.02 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.15 3hdz n ASN 694 Cb 0.12 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 3hdz n ASN 694 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3hdz s SER 695 N -2.67 6.69 0.14 6.41 0.01 -0.73 -4.93 113.70 118.62 3hdz s SER 695 Ca 0.17 2.59 -0.34 0.00 1.31 0.00 0.00 55.95 59.68 3hdz s SER 695 Cb 0.18 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 63.64 3hdz s SER 695 CO 0.63 -0.70 1.28 -2.65 0.41 0.00 0.00 173.24 172.21 3hdz n PRO 696 N 2.85 1.30 -0.16 12.44 -0.02 -1.26 -1.25 135.00 148.90 3hdz n PRO 696 Ca 0.09 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hdz n PRO 696 Cb 0.40 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3hdz n PRO 696 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hdz n GLY 697 N 2.34 2.10 0.38 -1.23 0.00 -1.26 -4.84 105.19 102.68 3hdz n GLY 697 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3hdz n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hdz n ASN 698 N 0.00 2.39 -4.00 1.61 4.13 -0.38 -4.41 115.26 114.60 3hdz n ASN 698 Ca 0.00 -1.85 -0.43 0.00 1.68 0.00 0.00 54.58 53.98 3hdz n ASN 698 Cb 0.00 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 3hdz n ASN 698 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hdz n GLN 699 N 0.20 3.18 0.11 3.52 6.02 -1.24 -4.64 117.38 124.52 3hdz n GLN 699 Ca 0.07 -3.11 0.10 0.00 -0.01 0.00 0.00 57.00 54.05 3hdz n GLN 699 Cb 0.32 -3.20 0.45 0.00 1.02 0.00 0.00 30.24 28.83 3hdz n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3hdz n ILE 700 N 4.80 0.97 -0.26 5.09 -5.35 -1.26 -1.72 119.36 121.63 3hdz n ILE 700 Ca 0.47 0.35 0.11 0.00 -0.27 0.00 0.00 62.75 63.40 3hdz n ILE 700 Cb 0.40 -1.27 0.29 0.00 -1.74 0.00 0.00 39.64 37.32 3hdz n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3hdz n LEU 701 N -2.08 3.78 0.30 7.28 4.77 -1.26 -4.54 117.00 125.25 3hdz n LEU 701 Ca 0.02 -1.92 0.19 0.00 -0.03 0.00 0.00 56.01 54.26 3hdz n LEU 701 Cb 0.17 -0.43 0.96 0.00 -2.33 0.00 0.00 43.42 41.79 3hdz n LEU 701 CO 0.16 0.93 1.09 0.77 -1.33 0.00 0.00 177.39 179.00 3hdz h SER 702 N 4.08 0.00 1.22 -1.43 4.64 -1.69 -2.42 113.55 117.95 3hdz h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hdz h SER 702 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3hdz h SER 702 CO 0.00 0.02 -0.09 0.61 -0.87 0.00 0.00 176.83 176.51 3hdz n GLY 703 N -0.70 -1.59 3.78 -0.77 0.00 -1.26 -4.90 105.19 99.75 3hdz n GLY 703 Ca -0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3hdz n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hdz s LEU 704 N -3.95 4.07 0.96 0.99 1.43 -0.91 -4.93 118.68 116.34 3hdz s LEU 704 Ca 0.11 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3hdz s LEU 704 Cb 0.15 -4.24 0.17 0.00 0.03 0.00 0.00 46.19 42.30 3hdz s LEU 704 CO 0.59 -0.65 1.09 -0.94 0.23 0.00 0.00 176.35 176.68 3hdz s SER 705 N -1.55 2.77 0.21 2.29 1.04 -1.26 -4.72 113.70 112.48 3hdz s SER 705 Ca 0.60 1.66 -0.09 0.00 0.48 0.00 0.00 55.95 58.60 3hdz s SER 705 Cb -0.23 -2.30 0.20 0.00 0.10 0.00 0.00 66.02 63.79 3hdz s SER 705 CO 0.29 -3.11 1.85 0.40 0.98 0.00 0.00 173.24 173.66 3hdz h ILE 706 N -1.87 1.10 -0.16 -1.02 2.04 -1.99 0.85 117.51 116.46 3hdz h ILE 706 Ca -0.51 -0.31 -0.21 0.00 1.00 0.00 0.00 64.86 64.83 3hdz h ILE 706 Cb 1.29 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3hdz h ILE 706 CO 0.50 0.17 -0.73 -0.33 0.00 0.00 0.00 178.15 177.76 3hdz h GLU 707 N 0.90 0.73 -0.50 2.37 4.39 -2.00 -2.09 114.58 118.38 3hdz h GLU 707 Ca 0.29 -0.57 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 3hdz h GLU 707 Cb 0.02 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3hdz h GLU 707 CO -0.11 1.19 -0.02 0.93 -1.16 0.00 0.00 179.01 179.84 3hdz h GLU 708 N 0.51 0.85 0.10 2.33 5.08 -1.85 -1.86 114.58 119.75 3hdz h GLU 708 Ca -0.04 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3hdz h GLU 708 Cb 1.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hdz h GLU 708 CO 0.15 0.86 -0.05 -0.92 -1.00 0.00 0.00 179.01 178.05 3hdz h TYR 709 N 0.79 -0.12 -0.42 4.33 3.20 -0.77 -0.79 116.97 123.17 3hdz h TYR 709 Ca 0.15 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.10 3hdz h TYR 709 Cb 0.50 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 3hdz h TYR 709 CO 0.03 0.03 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.33 3hdz h LYS 710 N -0.26 0.07 -0.38 1.82 3.64 -1.31 -0.87 116.57 119.28 3hdz h LYS 710 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hdz h LYS 710 Cb 0.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3hdz h LYS 710 CO 0.02 0.05 0.23 1.15 -2.27 0.00 0.00 179.45 178.63 3hdz h THR 711 N 0.07 1.12 -0.22 1.00 2.02 -1.14 -2.58 112.91 113.19 3hdz h THR 711 Ca 0.21 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3hdz h THR 711 Cb 0.31 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3hdz h THR 711 CO -0.38 0.12 0.06 0.74 0.37 0.00 0.00 175.52 176.44 3hdz h THR 712 N 0.49 1.20 -0.64 3.16 2.02 -0.79 -2.35 112.91 115.99 3hdz h THR 712 Ca 0.14 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hdz h THR 712 Cb 0.00 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3hdz h THR 712 CO -0.03 0.20 0.40 -0.07 0.37 0.00 0.00 175.52 176.40 3hdz h LEU 713 N 0.18 0.75 -0.48 2.58 -0.00 -1.08 -0.44 115.31 116.82 3hdz h LEU 713 Ca 0.07 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 3hdz h LEU 713 Cb 0.25 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 3hdz h LEU 713 CO -0.00 0.57 0.07 0.50 -0.00 0.00 0.00 178.44 179.58 3hdz h LYS 714 N 0.88 0.80 -0.52 1.13 3.64 -1.28 -1.52 116.57 119.70 3hdz h LYS 714 Ca 0.23 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3hdz h LYS 714 Cb -0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3hdz h LYS 714 CO -0.05 0.81 0.20 0.82 -2.27 0.00 0.00 179.45 178.96 3hdz h ILE 715 N 0.67 1.22 -0.04 2.00 2.04 -0.86 -2.36 117.51 120.19 3hdz h ILE 715 Ca 0.15 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hdz h ILE 715 Cb 0.40 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hdz h ILE 715 CO 0.01 0.26 -0.10 0.40 0.00 0.00 0.00 178.15 178.73 3hdz h ILE 716 N 0.71 0.74 -0.19 -0.67 2.04 -0.93 0.39 117.51 119.60 3hdz h ILE 716 Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3hdz h ILE 716 Cb 0.22 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3hdz h ILE 716 CO -0.01 0.00 -0.29 0.50 0.00 0.00 0.00 178.15 178.35 3hdz h LYS 717 N -0.15 -0.31 -0.90 2.37 3.64 -1.20 0.05 116.57 120.07 3hdz h LYS 717 Ca 0.05 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3hdz h LYS 717 Cb 0.22 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3hdz h LYS 717 CO -0.13 -0.21 0.49 1.96 -2.27 0.00 0.00 179.45 179.29 3hdz h GLN 718 N -0.33 1.25 -0.35 1.90 4.20 -1.20 -0.63 115.11 119.96 3hdz h GLN 718 Ca 0.12 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hdz h GLN 718 Cb 0.51 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3hdz h GLN 718 CO -0.37 0.92 0.12 0.00 -0.67 0.00 0.00 178.83 178.82 3hdz h ALA 719 N 1.27 0.46 -0.26 3.87 0.00 -0.44 -0.37 119.26 123.79 3hdz h ALA 719 Ca 0.32 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hdz h ALA 719 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hdz h ALA 719 CO -0.05 0.09 -0.09 0.82 0.00 0.00 0.00 179.25 180.02 3hdz h ILE 720 N 0.42 1.29 -0.64 0.00 2.04 -0.80 -2.99 117.51 116.82 3hdz h ILE 720 Ca 0.11 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3hdz h ILE 720 Cb 0.24 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3hdz h ILE 720 CO -0.00 0.36 0.37 -0.07 0.00 0.00 0.00 178.15 178.80 3hdz h LEU 721 N 0.26 0.77 -2.08 1.44 3.38 -1.06 -2.31 115.31 115.71 3hdz h LEU 721 Ca 0.06 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3hdz h LEU 721 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hdz h LEU 721 CO 0.03 0.61 0.31 0.00 0.09 0.00 0.00 178.44 179.48 3hdz h ALA 722 N 1.53 2.10 0.00 1.53 0.00 -0.91 -1.90 119.26 121.60 3hdz h ALA 722 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hdz h ALA 722 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hdz h ALA 722 CO -0.04 -0.48 0.00 0.25 0.00 0.00 0.00 179.25 178.98 3hdz n THR 723 N -3.97 0.21 -2.03 0.00 -2.24 -0.87 -4.30 114.28 101.08 3hdz n THR 723 Ca 0.05 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3hdz n THR 723 Cb 0.48 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3hdz n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hdz s ASP 724 N -2.44 5.99 0.55 3.42 -1.08 -0.72 -4.88 116.67 117.52 3hdz s ASP 724 Ca 0.25 1.34 0.27 0.00 -0.52 0.00 0.00 52.55 53.89 3hdz s ASP 724 Cb 0.16 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.55 3hdz s ASP 724 CO 0.33 -1.63 1.99 -0.07 0.52 0.00 0.00 175.17 176.31 3hdz h LEU 725 N 13.30 0.00 -0.89 -1.34 3.38 -1.90 0.18 115.31 128.04 3hdz h LEU 725 Ca -0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3hdz h LEU 725 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3hdz h LEU 725 CO 1.03 0.00 0.58 0.00 0.09 0.00 0.00 178.44 180.14 3hdz h ALA 726 N 1.67 1.16 -0.12 1.53 0.00 -1.93 -1.35 119.26 120.22 3hdz h ALA 726 Ca 0.22 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3hdz h ALA 726 Cb 1.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hdz h ALA 726 CO -0.00 0.47 -0.63 -0.07 0.00 0.00 0.00 179.25 179.01 3hdz h LEU 727 N 1.15 0.51 0.07 0.00 4.07 -0.97 -2.15 115.31 117.98 3hdz h LEU 727 Ca 0.34 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hdz h LEU 727 Cb -0.05 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.54 3hdz h LEU 727 CO -0.10 1.01 -0.03 0.22 -1.08 0.00 0.00 178.44 178.46 3hdz h TYR 728 N 0.32 -0.08 -0.77 1.13 5.03 -1.14 -1.26 116.97 120.21 3hdz h TYR 728 Ca -0.01 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3hdz h TYR 728 Cb 1.18 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.45 3hdz h TYR 728 CO 0.04 -0.01 0.49 0.82 -1.32 0.00 0.00 178.16 178.18 3hdz h ILE 729 N -0.13 1.21 -0.50 1.81 2.04 -1.24 0.53 117.51 121.23 3hdz h ILE 729 Ca -0.01 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 3hdz h ILE 729 Cb 0.11 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3hdz h ILE 729 CO 0.01 0.21 -0.11 0.50 0.00 0.00 0.00 178.15 178.76 3hdz h LYS 730 N 1.05 0.92 0.00 2.37 3.64 -1.18 -3.35 116.57 120.02 3hdz h LYS 730 Ca 0.28 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hdz h LYS 730 Cb -0.08 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3hdz h LYS 730 CO -0.06 0.98 -1.61 0.54 -2.27 0.00 0.00 179.45 177.03 3hdz n ARG 731 N -4.15 0.65 0.20 1.90 1.74 -0.49 -4.54 116.66 111.96 3hdz n ARG 731 Ca 0.01 -0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.01 3hdz n ARG 731 Cb 0.39 -1.44 0.41 0.00 -1.02 0.00 0.00 32.46 30.80 3hdz n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3hdz h ARG 732 N 0.00 0.00 -0.51 5.56 0.11 -1.04 -2.84 114.38 115.66 3hdz h ARG 732 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 3hdz h ARG 732 Cb 0.76 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 3hdz h ARG 732 CO 0.00 0.33 0.15 0.78 0.10 0.00 0.00 179.97 181.34 3hdz h GLY 733 N 1.20 0.66 0.74 0.08 0.00 -1.80 0.40 103.07 104.35 3hdz h GLY 733 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hdz h GLY 733 CO 0.04 -0.02 0.20 -2.09 0.00 0.00 0.00 176.54 174.67 3hdz h GLU 734 N 0.31 0.40 -0.03 4.80 4.81 -1.81 -0.37 114.58 122.69 3hdz h GLU 734 Ca 0.25 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3hdz h GLU 734 Cb 0.30 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3hdz h GLU 734 CO -0.28 0.26 0.02 0.35 -0.73 0.00 0.00 179.01 178.63 3hdz h PHE 735 N 0.41 0.04 -0.67 0.92 3.57 -1.38 -1.31 116.94 118.52 3hdz h PHE 735 Ca 0.19 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3hdz h PHE 735 Cb 0.12 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3hdz h PHE 735 CO -0.11 0.08 0.24 0.74 -2.23 0.00 0.00 178.31 177.03 3hdz h PHE 736 N -0.01 1.03 -0.22 0.41 0.05 -0.78 -2.43 116.94 114.98 3hdz h PHE 736 Ca 0.01 -0.08 -0.03 0.00 3.82 0.00 0.00 57.97 61.70 3hdz h PHE 736 Cb 0.05 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.69 3hdz h PHE 736 CO -0.06 0.80 0.03 0.93 -0.18 0.00 0.00 178.31 179.83 3hdz h GLU 737 N 0.98 0.36 -0.52 1.51 5.08 -0.89 0.26 114.58 121.36 3hdz h GLU 737 Ca 0.22 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3hdz h GLU 737 Cb 0.23 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3hdz h GLU 737 CO -0.01 0.51 0.20 -0.07 -1.00 0.00 0.00 179.01 178.63 3hdz h LEU 738 N 0.16 0.22 -0.34 1.33 4.07 -1.11 0.01 115.31 119.65 3hdz h LEU 738 Ca 0.07 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 3hdz h LEU 738 Cb 0.32 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3hdz h LEU 738 CO 0.00 0.15 -0.00 0.40 -1.08 0.00 0.00 178.44 177.91 3hdz h ILE 739 N 0.39 1.26 -0.40 1.22 1.08 -1.24 0.27 117.51 120.09 3hdz h ILE 739 Ca 0.25 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 3hdz h ILE 739 Cb 0.26 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 3hdz h ILE 739 CO -0.24 0.32 0.16 -0.09 -0.69 0.00 0.00 178.15 177.61 3hdz h ARG 740 N 0.41 0.56 -0.32 2.37 2.43 -0.52 -2.22 114.38 117.09 3hdz h ARG 740 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hdz h ARG 740 Cb 0.46 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hdz h ARG 740 CO 0.02 0.46 0.00 1.63 -1.51 0.00 0.00 179.97 180.57 3hdz n LYS 741 N -4.38 1.95 -3.87 0.20 5.02 -0.05 -4.93 118.16 112.10 3hdz n LYS 741 Ca 0.03 -1.46 -0.28 0.00 -2.02 0.00 0.00 58.31 54.58 3hdz n LYS 741 Cb 0.14 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3hdz n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hdz n ASN 742 N 0.68 -3.85 -0.22 4.39 3.02 -0.84 -4.88 115.26 113.56 3hdz n ASN 742 Ca 0.16 -0.80 0.05 0.00 -0.03 0.00 0.00 54.58 53.96 3hdz n ASN 742 Cb 0.38 -3.89 -0.00 0.00 -0.61 0.00 0.00 39.78 35.65 3hdz n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hdz n GLN 743 N -4.59 2.15 -2.29 3.52 6.02 0.91 -5.03 117.38 118.08 3hdz n GLN 743 Ca -0.05 -0.58 -0.42 0.00 -0.01 0.00 0.00 57.00 55.94 3hdz n GLN 743 Cb 0.56 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.72 3hdz n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3hdz s PHE 744 N -1.38 3.16 -0.24 1.08 5.36 -1.08 -4.95 117.98 119.93 3hdz s PHE 744 Ca 0.08 1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 57.04 3hdz s PHE 744 Cb 0.08 -3.58 0.08 0.00 -0.34 0.00 0.00 43.02 39.26 3hdz s PHE 744 CO 0.26 -2.00 0.10 1.21 -1.46 0.00 0.00 175.22 173.33 3hdz s ASN 745 N 1.40 3.03 0.62 6.13 2.47 -1.26 -5.01 114.94 122.32 3hdz s ASN 745 Ca 0.62 -1.00 0.41 0.00 0.42 0.00 0.00 52.86 53.31 3hdz s ASN 745 Cb -0.32 -0.35 2.10 0.00 -1.45 0.00 0.00 41.25 41.23 3hdz s ASN 745 CO 0.28 -0.39 2.25 -0.07 -3.72 0.00 0.00 177.10 175.44 3hdz h LEU 746 N 8.38 0.00 -0.66 3.21 3.38 -1.93 -2.15 115.31 125.53 3hdz h LEU 746 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hdz h LEU 746 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hdz h LEU 746 CO 0.37 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.57 3hdz h GLU 747 N 0.00 0.00 -6.14 1.13 5.08 -1.97 -3.38 114.58 109.30 3hdz h GLU 747 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3hdz h GLU 747 Cb 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3hdz h GLU 747 CO 0.00 0.00 0.82 0.34 -1.00 0.00 0.00 179.01 179.17 3hdz s ASP 748 N -5.28 7.04 0.27 1.42 -1.08 -0.81 -4.94 116.67 113.30 3hdz s ASP 748 Ca 0.05 1.55 0.00 0.00 -0.52 0.00 0.00 52.55 53.64 3hdz s ASP 748 Cb 0.09 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 3hdz s ASP 748 CO 0.55 -0.68 1.71 -0.65 0.52 0.00 0.00 175.17 176.62 3hdz h PRO 749 N 7.73 0.43 -0.50 4.34 0.11 -1.87 0.07 132.00 142.32 3hdz h PRO 749 Ca -0.24 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3hdz h PRO 749 Cb 1.09 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3hdz h PRO 749 CO 0.96 0.28 0.04 1.25 -0.21 0.00 0.00 178.00 180.32 3hdz h HIS 750 N 0.44 0.91 -0.13 0.65 -0.00 -1.94 -2.10 115.15 112.99 3hdz h HIS 750 Ca 0.50 -0.14 -0.13 0.00 -0.00 0.00 0.00 60.37 60.59 3hdz h HIS 750 Cb 0.86 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 3hdz h HIS 750 CO -0.15 0.85 -0.50 0.93 -0.00 0.00 0.00 177.93 179.06 3hdz h GLU 751 N 0.72 0.35 -0.16 5.26 5.08 -1.61 -0.48 114.58 123.75 3hdz h GLU 751 Ca 0.15 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3hdz h GLU 751 Cb 0.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3hdz h GLU 751 CO 0.02 0.78 0.04 -0.22 -1.00 0.00 0.00 179.01 178.62 3hdz h LYS 752 N 0.28 0.10 -0.20 2.33 1.63 -0.91 0.48 116.57 120.27 3hdz h LYS 752 Ca 0.01 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.67 3hdz h LYS 752 Cb 0.99 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 3hdz h LYS 752 CO 0.08 0.07 -0.45 1.05 -3.45 0.00 0.00 179.45 176.75 3hdz h GLU 753 N 0.10 0.50 -0.45 1.90 4.11 -1.16 -0.57 114.58 119.02 3hdz h GLU 753 Ca 0.07 -0.27 0.04 0.00 0.07 0.00 0.00 59.36 59.27 3hdz h GLU 753 Cb 0.05 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3hdz h GLU 753 CO -0.09 0.85 0.22 1.25 0.07 0.00 0.00 179.01 181.31 3hdz h LEU 754 N 0.40 0.31 -0.61 3.06 5.85 -0.96 -1.25 115.31 122.11 3hdz h LEU 754 Ca 0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hdz h LEU 754 Cb 0.94 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3hdz h LEU 754 CO 0.08 0.22 0.37 0.15 -0.34 0.00 0.00 178.44 178.92 3hdz h PHE 755 N 0.44 0.81 -0.83 1.25 3.57 -0.48 -2.03 116.94 119.66 3hdz h PHE 755 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3hdz h PHE 755 Cb 0.11 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3hdz h PHE 755 CO -0.11 0.55 0.55 -0.07 -2.23 0.00 0.00 178.31 177.01 3hdz h LEU 756 N 0.83 0.95 -0.56 0.59 3.38 -0.81 0.95 115.31 120.64 3hdz h LEU 756 Ca 0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hdz h LEU 756 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hdz h LEU 756 CO -0.04 0.68 0.22 0.00 0.09 0.00 0.00 178.44 179.39 3hdz h ALA 757 N 1.49 0.73 -0.47 1.53 0.00 -0.82 -1.12 119.26 120.59 3hdz h ALA 757 Ca 0.31 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3hdz h ALA 757 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3hdz h ALA 757 CO -0.07 0.35 -0.18 0.52 0.00 0.00 0.00 179.25 179.87 3hdz h MET 758 N 0.77 0.95 -0.83 0.00 2.86 -0.79 -2.40 114.93 115.50 3hdz h MET 758 Ca 0.19 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3hdz h MET 758 Cb 0.21 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3hdz h MET 758 CO -0.01 1.06 0.50 1.25 1.06 0.00 0.00 176.91 180.77 3hdz h LEU 759 N 0.80 0.99 -0.32 1.22 5.85 -0.70 -0.37 115.31 122.78 3hdz h LEU 759 Ca 0.11 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hdz h LEU 759 Cb 0.75 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3hdz h LEU 759 CO 0.06 0.76 0.11 0.24 -0.34 0.00 0.00 178.44 179.27 3hdz h MET 760 N 1.13 0.24 -0.72 1.25 2.86 -1.01 -1.55 114.93 117.14 3hdz h MET 760 Ca 0.30 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hdz h MET 760 Cb -0.05 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3hdz h MET 760 CO -0.06 0.16 0.44 1.15 1.06 0.00 0.00 176.91 179.66 3hdz h THR 761 N 0.25 1.20 -0.72 2.22 2.02 -1.02 0.11 112.91 116.97 3hdz h THR 761 Ca 0.14 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.92 3hdz h THR 761 Cb 0.11 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 3hdz h THR 761 CO -0.14 0.21 0.44 0.00 0.37 0.00 0.00 175.52 176.40 3hdz h ALA 762 N 1.23 0.95 -0.29 6.16 0.00 -0.74 -0.66 119.26 125.91 3hdz h ALA 762 Ca 0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3hdz h ALA 762 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hdz h ALA 762 CO -0.05 0.20 -0.52 0.00 0.00 0.00 0.00 179.25 178.88 3hdz h ASP 764 N 0.66 0.95 -0.47 0.00 -0.00 -0.29 -2.25 116.42 115.02 3hdz h ASP 764 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 3hdz h ASP 764 Cb 1.12 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 40.21 3hdz h ASP 764 CO 0.12 0.71 0.00 0.18 -0.00 0.00 0.00 179.24 180.25 3hdz n LEU 765 N -4.39 2.84 -0.08 2.28 4.77 -0.30 -4.66 117.00 117.46 3hdz n LEU 765 Ca 0.09 -1.43 0.19 0.00 -0.03 0.00 0.00 56.01 54.83 3hdz n LEU 765 Cb 0.05 -0.37 0.61 0.00 -2.33 0.00 0.00 43.42 41.37 3hdz n LEU 765 CO 0.37 0.62 1.20 0.77 -1.33 0.00 0.00 177.39 179.02 3hdz h SER 766 N 2.80 0.17 -0.35 -1.43 4.64 -1.21 -1.13 113.55 117.05 3hdz h SER 766 Ca 0.00 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3hdz h SER 766 Cb 0.78 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 3hdz h SER 766 CO 0.05 0.09 0.25 0.00 -0.87 0.00 0.00 176.83 176.35 3hdz h ALA 767 N 1.68 2.28 0.00 5.18 0.00 -1.84 -0.05 119.26 126.51 3hdz h ALA 767 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hdz h ALA 767 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hdz h ALA 767 CO -0.05 -0.38 0.00 0.97 0.00 0.00 0.00 179.25 179.79 3hdz h ILE 768 N 0.04 0.00 -0.01 0.00 6.09 -1.57 -2.57 117.51 119.49 3hdz h ILE 768 Ca 0.17 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 3hdz h ILE 768 Cb 0.61 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.76 3hdz h ILE 768 CO -0.01 0.00 -0.73 0.35 -3.07 0.00 0.00 178.15 174.69 3hdz n THR 769 N -2.45 0.00 -1.59 2.19 -2.24 -0.03 -4.10 114.28 106.05 3hdz n THR 769 Ca -0.00 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 3hdz n THR 769 Cb 0.15 1.06 0.06 0.00 -2.10 0.00 0.00 70.33 69.49 3hdz n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hdz s LYS 770 N -2.76 2.75 0.40 -0.78 -0.14 -0.97 -4.01 119.74 114.23 3hdz s LYS 770 Ca 0.13 0.84 -0.24 0.00 -1.36 0.00 0.00 55.97 55.35 3hdz s LYS 770 Cb 0.17 -1.98 -0.12 0.00 -1.68 0.00 0.00 37.83 34.22 3hdz s LYS 770 CO 0.72 -1.20 0.72 -2.30 -0.76 0.00 0.00 175.35 172.53 3hdz n PRO 771 N -3.18 0.83 -0.26 -1.68 -0.02 -1.26 -4.40 135.00 125.02 3hdz n PRO 771 Ca 0.07 0.30 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 3hdz n PRO 771 Cb 0.54 -1.66 0.18 0.00 -0.02 0.00 0.00 33.50 32.54 3hdz n PRO 771 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hdz h TRP 772 N 1.13 0.03 -0.42 6.00 2.91 -1.94 -0.40 115.95 123.26 3hdz h TRP 772 Ca -0.41 0.05 -0.05 0.00 1.13 0.00 0.00 58.89 59.62 3hdz h TRP 772 Cb 1.38 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 30.12 3hdz h TRP 772 CO 0.40 -0.23 0.07 -1.35 -1.03 0.00 0.00 178.44 176.30 3hdz h PRO 773 N 0.13 0.65 0.08 2.65 0.11 -1.99 0.31 132.00 133.94 3hdz h PRO 773 Ca 0.43 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3hdz h PRO 773 Cb 0.78 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3hdz h PRO 773 CO -0.65 0.62 -0.04 0.82 -0.21 0.00 0.00 178.00 178.53 3hdz h ILE 774 N 0.62 1.17 -0.77 4.15 2.04 -1.46 -2.42 117.51 120.84 3hdz h ILE 774 Ca 0.14 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hdz h ILE 774 Cb 0.29 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3hdz h ILE 774 CO 0.00 0.24 0.50 -0.61 0.00 0.00 0.00 178.15 178.29 3hdz h GLN 775 N -0.58 0.97 -0.61 2.37 -0.00 -0.99 -1.74 115.11 114.54 3hdz h GLN 775 Ca -0.01 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.54 3hdz h GLN 775 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 3hdz h GLN 775 CO 0.02 0.64 0.22 0.37 0.00 0.00 0.00 178.83 180.09 3hdz h GLN 776 N 1.00 0.92 -0.35 1.69 4.15 -0.44 0.24 115.11 122.32 3hdz h GLN 776 Ca 0.30 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hdz h GLN 776 Cb -0.05 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 3hdz h GLN 776 CO -0.09 0.80 0.21 -0.09 -1.93 0.00 0.00 178.83 177.73 3hdz h ARG 777 N 0.85 0.48 -0.18 1.69 2.43 -1.15 -2.34 114.38 116.17 3hdz h ARG 777 Ca 0.20 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 3hdz h ARG 777 Cb 0.23 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3hdz h ARG 777 CO -0.01 0.37 -0.54 0.82 -1.51 0.00 0.00 179.97 179.09 3hdz h ILE 778 N 0.45 1.32 -0.76 1.20 2.04 -1.04 -2.61 117.51 118.12 3hdz h ILE 778 Ca 0.13 -1.79 0.09 0.00 1.00 0.00 0.00 64.86 64.29 3hdz h ILE 778 Cb 0.01 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3hdz h ILE 778 CO -0.02 0.55 0.50 0.00 0.00 0.00 0.00 178.15 179.18 3hdz h ALA 779 N 1.00 1.77 -0.54 1.87 0.00 -0.40 -1.33 119.26 121.63 3hdz h ALA 779 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hdz h ALA 779 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hdz h ALA 779 CO 0.10 0.08 0.06 0.93 0.00 0.00 0.00 179.25 180.42 3hdz h GLU 780 N 0.71 0.88 -0.39 0.00 5.08 -1.03 -1.36 114.58 118.46 3hdz h GLU 780 Ca 0.35 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hdz h GLU 780 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3hdz h GLU 780 CO -0.13 0.84 0.10 -0.07 -1.00 0.00 0.00 179.01 178.75 3hdz h LEU 781 N 0.83 0.58 -0.25 1.33 3.38 -1.17 -0.02 115.31 119.98 3hdz h LEU 781 Ca 0.17 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hdz h LEU 781 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hdz h LEU 781 CO 0.01 0.65 0.09 0.58 0.09 0.00 0.00 178.44 179.86 3hdz h VAL 782 N 0.48 0.94 -0.60 1.22 2.07 -1.02 -1.15 116.25 118.18 3hdz h VAL 782 Ca 0.12 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3hdz h VAL 782 Cb 0.29 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hdz h VAL 782 CO -0.00 0.04 0.11 0.00 0.02 0.00 0.00 177.57 177.74 3hdz h ALA 783 N 1.15 0.80 -0.33 1.67 0.00 -1.21 -1.27 119.26 120.07 3hdz h ALA 783 Ca 0.11 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hdz h ALA 783 Cb 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3hdz h ALA 783 CO -0.11 0.54 0.04 1.15 0.00 0.00 0.00 179.25 180.87 3hdz h THR 784 N 0.89 0.80 -0.28 0.00 2.02 -0.58 0.13 112.91 115.89 3hdz h THR 784 Ca 0.18 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3hdz h THR 784 Cb 0.41 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3hdz h THR 784 CO 0.01 0.03 0.10 -0.08 0.37 0.00 0.00 175.52 175.95 3hdz h GLU 785 N 0.14 0.42 -0.75 6.66 4.81 -1.00 -0.86 114.58 123.99 3hdz h GLU 785 Ca 0.16 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3hdz h GLU 785 Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3hdz h GLU 785 CO -0.23 0.46 0.49 0.74 -0.73 0.00 0.00 179.01 179.74 3hdz h PHE 786 N 0.29 0.94 -0.14 0.92 0.04 -0.95 -1.78 116.94 116.26 3hdz h PHE 786 Ca 0.09 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 3hdz h PHE 786 Cb 0.20 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3hdz h PHE 786 CO -0.00 0.58 -0.38 0.74 -0.60 0.00 0.00 178.31 178.65 3hdz h PHE 787 N 1.01 0.36 -0.47 -0.55 0.04 -0.59 -1.82 116.94 114.91 3hdz h PHE 787 Ca 0.28 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3hdz h PHE 787 Cb -0.10 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3hdz h PHE 787 CO -0.02 0.65 0.26 0.22 -0.60 0.00 0.00 178.31 178.82 3hdz h ASP 788 N 0.26 0.58 -0.45 2.17 3.58 -0.72 -1.20 116.42 120.63 3hdz h ASP 788 Ca 0.03 -0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.43 3hdz h ASP 788 Cb 0.79 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 3hdz h ASP 788 CO 0.06 0.50 0.23 -0.61 -2.88 0.00 0.00 179.24 176.53 3hdz h GLN 789 N 0.61 0.44 -0.76 0.28 4.15 -1.04 -2.35 115.11 116.43 3hdz h GLN 789 Ca 0.16 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.68 3hdz h GLN 789 Cb 0.04 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 27.55 3hdz h GLN 789 CO -0.03 0.29 0.36 0.78 -1.93 0.00 0.00 178.83 178.30 3hdz h GLY 790 N 0.45 1.18 0.53 2.39 0.00 -0.92 0.21 103.07 106.92 3hdz h GLY 790 Ca 0.20 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.39 3hdz h GLY 790 CO -0.14 -0.02 0.16 -0.55 0.00 0.00 0.00 176.54 175.99 3hdz h ASP 791 N 0.55 0.15 -0.70 0.19 3.32 -0.80 -1.16 116.42 117.97 3hdz h ASP 791 Ca 0.40 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3hdz h ASP 791 Cb 0.54 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3hdz h ASP 791 CO -0.34 0.12 0.22 0.03 -1.72 0.00 0.00 179.24 177.54 3hdz h ARG 792 N 0.33 1.08 -0.70 3.56 2.47 -0.64 -2.45 114.38 118.03 3hdz h ARG 792 Ca 0.23 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hdz h ARG 792 Cb 0.24 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3hdz h ARG 792 CO -0.24 0.93 0.38 0.93 0.56 0.00 0.00 179.97 182.53 3hdz h GLU 793 N 1.02 0.98 -0.64 0.04 5.08 -0.22 0.51 114.58 121.35 3hdz h GLU 793 Ca 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3hdz h GLU 793 Cb 0.30 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3hdz h GLU 793 CO -0.01 0.74 0.35 0.00 -1.00 0.00 0.00 179.01 179.09 3hdz h ARG 794 N 0.97 0.88 0.01 2.33 3.08 -1.03 -0.41 114.38 120.23 3hdz h ARG 794 Ca 0.25 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3hdz h ARG 794 Cb 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3hdz h ARG 794 CO -0.04 0.67 -0.20 0.87 -1.07 0.00 0.00 179.97 180.20 3hdz h LYS 795 N 0.87 0.11 0.00 0.04 1.57 -1.08 -2.59 116.57 115.49 3hdz h LYS 795 Ca 0.22 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 3hdz h LYS 795 Cb 0.04 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3hdz h LYS 795 CO -0.04 0.95 -1.33 0.93 -0.57 0.00 0.00 179.45 179.39 3hdz h GLU 796 N -0.67 0.00 -0.00 3.15 5.08 -0.04 -3.37 114.58 118.72 3hdz h GLU 796 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hdz h GLU 796 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hdz h GLU 796 CO 0.04 0.73 -0.24 1.28 -1.00 0.00 0.00 179.01 179.81 3hdz n LEU 797 N -3.19 0.42 -3.88 1.33 4.77 -0.22 -5.01 117.00 111.22 3hdz n LEU 797 Ca -0.08 -0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 55.05 3hdz n LEU 797 Cb 0.98 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.10 3hdz n LEU 797 CO 0.46 0.10 0.10 -3.20 -1.33 0.00 0.00 177.39 173.52 3hdz n ASN 798 N -0.96 -4.59 -4.46 -1.43 5.15 -0.85 -4.98 115.26 103.13 3hdz n ASN 798 Ca 0.01 -0.77 -0.28 0.00 -0.60 0.00 0.00 54.58 52.94 3hdz n ASN 798 Cb 0.10 -3.96 -0.12 0.00 -0.53 0.00 0.00 39.78 35.28 3hdz n ASN 798 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hdz s ILE 799 N -3.33 2.62 -0.06 -1.44 -4.36 -1.20 -5.00 121.20 108.42 3hdz s ILE 799 Ca 0.61 -1.73 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 3hdz s ILE 799 Cb -0.30 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 3hdz s ILE 799 CO 0.82 0.01 1.13 -0.70 0.24 0.00 0.00 174.94 176.45 3hdz s GLU 800 N -2.35 4.38 0.74 0.37 2.12 -1.26 -3.73 118.70 118.97 3hdz s GLU 800 Ca 0.19 1.58 -0.13 0.00 0.36 0.00 0.00 54.97 56.97 3hdz s GLU 800 Cb -0.09 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.80 3hdz s GLU 800 CO 0.10 -0.39 1.12 -2.14 -0.54 0.00 0.00 175.26 173.41 3hdz s PRO 801 N 2.07 2.29 0.96 4.30 0.02 -1.26 -5.01 135.00 138.38 3hdz s PRO 801 Ca 0.54 1.37 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 3hdz s PRO 801 Cb -0.23 -1.89 0.17 0.00 0.02 0.00 0.00 34.50 32.58 3hdz s PRO 801 CO 0.21 -1.64 1.10 -0.08 -0.33 0.00 0.00 177.00 176.26 3hdz s THR 802 N -2.54 2.30 0.24 0.99 -1.32 -1.26 -4.68 115.64 109.37 3hdz s THR 802 Ca 0.66 0.10 -0.05 0.00 -1.21 0.00 0.00 61.69 61.19 3hdz s THR 802 Cb -0.21 -2.27 0.22 0.00 -1.51 0.00 0.00 72.50 68.73 3hdz s THR 802 CO 0.49 -0.13 1.71 0.44 -2.21 0.00 0.00 174.62 174.92 3hdz h ASP 803 N -1.94 0.14 -0.93 8.08 3.32 -1.95 -0.14 116.42 123.01 3hdz h ASP 803 Ca -0.49 0.13 0.17 0.00 0.02 0.00 0.00 57.03 56.85 3hdz h ASP 803 Cb 1.29 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.90 3hdz h ASP 803 CO 0.47 0.03 0.59 0.25 -1.72 0.00 0.00 179.24 178.87 3hdz h LEU 804 N 0.35 0.64 -2.57 1.55 5.85 -1.93 -1.53 115.31 117.66 3hdz h LEU 804 Ca 0.41 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3hdz h LEU 804 Cb 0.66 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3hdz h LEU 804 CO -0.45 0.29 0.00 0.23 -0.34 0.00 0.00 178.44 178.17 3hdz n MET 805 N -4.60 2.58 -3.61 1.25 2.81 -0.17 -4.47 117.12 110.91 3hdz n MET 805 Ca 0.19 -2.37 -0.40 0.00 -1.81 0.00 0.00 57.70 53.32 3hdz n MET 805 Cb 0.54 -1.48 -0.09 0.00 -0.71 0.00 0.00 33.22 31.48 3hdz n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hdz s ASN 806 N -1.16 5.62 0.40 7.83 3.84 -0.57 -3.56 114.94 127.34 3hdz s ASN 806 Ca 0.39 -2.17 0.16 0.00 0.21 0.00 0.00 52.86 51.45 3hdz s ASN 806 Cb 0.22 -1.96 1.03 0.00 -0.55 0.00 0.00 41.25 39.98 3hdz s ASN 806 CO 0.29 -0.60 1.84 -0.09 -2.79 0.00 0.00 177.10 175.75 3hdz h ARG 807 N 8.06 0.45 0.00 0.43 2.43 -1.85 0.25 114.38 124.15 3hdz h ARG 807 Ca -0.13 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 3hdz h ARG 807 Cb 1.04 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3hdz h ARG 807 CO 0.79 0.30 -0.13 0.93 -1.51 0.00 0.00 179.97 180.35 3hdz h GLU 808 N 0.47 0.00 -0.77 0.20 5.08 -1.95 -2.14 114.58 115.46 3hdz h GLU 808 Ca 0.50 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.42 3hdz h GLU 808 Cb 1.16 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.16 3hdz h GLU 808 CO -0.22 0.13 0.36 1.63 -1.00 0.00 0.00 179.01 179.91 3hdz n LYS 809 N -4.17 2.29 0.29 2.33 4.76 0.07 -4.69 118.16 119.03 3hdz n LYS 809 Ca -0.02 -3.20 0.20 0.00 -2.87 0.00 0.00 58.31 52.41 3hdz n LYS 809 Cb 0.21 -2.09 1.03 0.00 -1.84 0.00 0.00 35.03 32.34 3hdz n LYS 809 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3hdz h LYS 810 N 1.26 0.00 0.00 1.97 2.10 -1.29 -1.16 116.57 119.45 3hdz h LYS 810 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 3hdz h LYS 810 Cb 2.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.35 3hdz h LYS 810 CO 0.94 0.00 0.15 -2.95 -2.00 0.00 0.00 179.45 175.59 3hdz h ASN 811 N 0.00 0.00 0.82 7.07 7.08 -1.86 -2.01 115.58 126.68 3hdz h ASN 811 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3hdz h ASN 811 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 3hdz h ASN 811 CO 0.00 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 175.64 3hdz n LYS 812 N -2.84 0.07 -0.01 4.14 4.76 -0.44 -4.37 118.16 119.48 3hdz n LYS 812 Ca -0.02 0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 3hdz n LYS 812 Cb 0.20 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3hdz n LYS 812 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3hdz h ILE 813 N 0.00 0.57 -0.54 -0.18 2.04 -1.59 -0.37 117.51 117.45 3hdz h ILE 813 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3hdz h ILE 813 Cb 0.41 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3hdz h ILE 813 CO 0.00 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.81 3hdz h PRO 814 N -0.19 0.58 -0.55 2.37 0.11 -1.84 0.15 132.00 132.63 3hdz h PRO 814 Ca 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3hdz h PRO 814 Cb 0.34 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 3hdz h PRO 814 CO -0.26 0.39 0.13 0.66 -0.21 0.00 0.00 178.00 178.70 3hdz h SER 815 N 0.60 0.79 -0.15 -2.05 4.64 -1.77 -1.63 113.55 113.98 3hdz h SER 815 Ca 0.22 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 3hdz h SER 815 Cb 0.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3hdz h SER 815 CO -0.12 0.78 -0.39 0.24 -0.87 0.00 0.00 176.83 176.48 3hdz h MET 816 N 0.82 0.68 -0.36 4.77 2.86 -0.60 -1.40 114.93 121.70 3hdz h MET 816 Ca 0.18 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3hdz h MET 816 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3hdz h MET 816 CO -0.00 0.95 0.13 1.96 1.06 0.00 0.00 176.91 181.01 3hdz h GLN 817 N 0.56 0.54 -0.53 1.72 1.08 -0.39 0.08 115.11 118.17 3hdz h GLN 817 Ca 0.05 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3hdz h GLN 817 Cb 0.91 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.23 3hdz h GLN 817 CO 0.08 0.54 0.34 0.28 -0.95 0.00 0.00 178.83 179.13 3hdz h VAL 818 N 0.42 1.12 -0.72 -0.54 2.07 -1.21 -0.37 116.25 117.02 3hdz h VAL 818 Ca 0.12 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3hdz h VAL 818 Cb 0.21 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hdz h VAL 818 CO -0.01 0.13 0.24 1.23 0.02 0.00 0.00 177.57 179.18 3hdz h GLY 819 N 0.70 1.20 0.89 2.17 0.00 -1.05 -1.12 103.07 105.85 3hdz h GLY 819 Ca 0.20 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3hdz h GLY 819 CO -0.06 0.65 -0.10 -2.75 0.00 0.00 0.00 176.54 174.29 3hdz h PHE 820 N 1.06 0.65 -0.58 5.60 3.57 -0.79 0.56 116.94 127.01 3hdz h PHE 820 Ca 0.23 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3hdz h PHE 820 Cb 0.29 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3hdz h PHE 820 CO 0.02 0.79 0.38 0.82 -2.23 0.00 0.00 178.31 178.09 3hdz h ILE 821 N 0.33 1.12 -0.23 1.41 2.04 -0.90 0.07 117.51 121.35 3hdz h ILE 821 Ca 0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3hdz h ILE 821 Cb 0.60 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3hdz h ILE 821 CO 0.03 0.14 0.03 0.44 0.00 0.00 0.00 178.15 178.79 3hdz h ASP 822 N 0.76 0.37 0.42 1.72 3.32 -1.13 -0.08 116.42 121.79 3hdz h ASP 822 Ca 0.22 -0.27 -0.28 0.00 0.02 0.00 0.00 57.03 56.73 3hdz h ASP 822 Cb -0.05 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.42 3hdz h ASP 822 CO -0.07 0.54 -1.22 0.00 -1.72 0.00 0.00 179.24 176.78 3hdz h ALA 823 N 0.84 0.09 0.00 3.45 0.00 -0.70 -3.41 119.26 119.53 3hdz h ALA 823 Ca 0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 3hdz h ALA 823 Cb 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hdz h ALA 823 CO 0.01 0.84 -1.43 -0.89 0.00 0.00 0.00 179.25 177.78 3hdz n ILE 824 N -3.65 0.43 -0.09 0.00 2.08 -0.01 -4.93 119.36 113.20 3hdz n ILE 824 Ca -0.10 -0.16 -0.14 0.00 0.56 0.00 0.00 62.75 62.91 3hdz n ILE 824 Cb 0.99 -0.92 -0.08 0.00 -0.75 0.00 0.00 39.64 38.88 3hdz n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hdz h LEU 826 N -1.00 0.06 -1.39 0.00 4.07 -1.25 -1.83 115.31 113.96 3hdz h LEU 826 Ca -0.19 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 3hdz h LEU 826 Cb 0.95 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 3hdz h LEU 826 CO -0.12 0.06 0.22 1.56 -1.08 0.00 0.00 178.44 179.08 3hdz h GLN 827 N 0.27 0.64 -0.02 1.13 4.20 -1.83 0.08 115.11 119.58 3hdz h GLN 827 Ca 0.24 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3hdz h GLN 827 Cb 0.31 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3hdz h GLN 827 CO -0.30 0.49 -0.02 1.25 -0.67 0.00 0.00 178.83 179.59 3hdz h LEU 828 N 0.64 0.05 -1.02 1.46 5.85 -1.52 -1.30 115.31 119.46 3hdz h LEU 828 Ca 0.16 -0.49 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 3hdz h LEU 828 Cb 0.07 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hdz h LEU 828 CO -0.02 0.53 -0.47 1.88 -0.34 0.00 0.00 178.44 180.01 3hdz h TYR 829 N -0.42 0.00 -0.10 1.25 0.05 -1.24 -0.14 116.97 116.37 3hdz h TYR 829 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3hdz h TYR 829 Cb 0.51 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 3hdz h TYR 829 CO 0.09 0.47 0.04 0.93 -1.05 0.00 0.00 178.16 178.64 3hdz h GLU 830 N 0.00 0.15 -0.66 4.88 5.08 -1.00 -2.01 114.58 121.02 3hdz h GLU 830 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hdz h GLU 830 Cb 0.87 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3hdz h GLU 830 CO 0.06 0.28 0.34 0.00 -1.00 0.00 0.00 179.01 178.69 3hdz h ALA 831 N 0.86 0.85 -0.82 3.43 0.00 -0.87 -1.28 119.26 121.43 3hdz h ALA 831 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hdz h ALA 831 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hdz h ALA 831 CO -0.00 0.39 0.37 1.25 0.00 0.00 0.00 179.25 181.26 3hdz h LEU 832 N 0.91 1.09 -1.06 0.00 5.85 -1.02 -1.94 115.31 119.14 3hdz h LEU 832 Ca 0.23 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3hdz h LEU 832 Cb 0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3hdz h LEU 832 CO -0.03 0.94 -0.10 0.74 -0.34 0.00 0.00 178.44 179.65 3hdz h THR 833 N 1.17 1.23 -0.80 1.05 2.02 -1.08 0.37 112.91 116.86 3hdz h THR 833 Ca 0.28 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3hdz h THR 833 Cb 0.15 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3hdz h THR 833 CO -0.03 0.33 0.51 -0.74 0.37 0.00 0.00 175.52 175.96 3hdz h HIS 834 N 0.52 1.04 -0.29 3.16 -0.00 -0.72 -1.72 115.15 117.12 3hdz h HIS 834 Ca 0.10 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.36 3hdz h HIS 834 Cb 0.48 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 3hdz h HIS 834 CO 0.02 0.67 -0.27 0.28 -0.00 0.00 0.00 177.93 178.63 3hdz h VAL 835 N 1.10 1.30 -2.75 5.26 2.07 -0.65 -3.41 116.25 119.17 3hdz h VAL 835 Ca 0.29 -1.43 -0.38 0.00 0.82 0.00 0.00 66.70 66.00 3hdz h VAL 835 Cb -0.09 1.56 -0.38 0.00 -1.52 0.00 0.00 31.29 30.87 3hdz h VAL 835 CO -0.06 0.46 -0.68 -0.55 0.02 0.00 0.00 177.57 176.76 3hdz s SER 836 N -6.52 1.79 0.45 0.57 0.15 0.05 -5.03 113.70 105.17 3hdz s SER 836 Ca -0.12 -0.39 0.23 0.00 0.70 0.00 0.00 55.95 56.36 3hdz s SER 836 Cb 0.09 0.11 1.22 0.00 -1.71 0.00 0.00 66.02 65.73 3hdz s SER 836 CO 0.83 -0.34 1.85 1.05 1.20 0.00 0.00 173.24 177.83 3hdz h GLU 837 N 8.36 0.26 0.00 5.44 4.11 -1.57 -0.47 114.58 130.71 3hdz h GLU 837 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3hdz h GLU 837 Cb 1.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hdz h GLU 837 CO 0.29 0.17 0.00 -0.25 0.07 0.00 0.00 179.01 179.29 3hdz n ASP 838 N -4.45 0.00 -0.26 3.06 8.00 -1.26 -1.03 116.55 120.61 3hdz n ASP 838 Ca 0.20 0.44 0.14 0.00 0.71 0.00 0.00 54.79 56.28 3hdz n ASP 838 Cb 0.83 -0.46 0.67 0.00 -0.02 0.00 0.00 41.12 42.15 3hdz n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hdz h PHE 840 N 1.23 0.95 -0.59 0.00 3.57 -1.26 -2.14 116.94 118.69 3hdz h PHE 840 Ca 0.00 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.71 3hdz h PHE 840 Cb 0.26 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3hdz h PHE 840 CO 0.01 0.02 0.46 -1.35 -2.23 0.00 0.00 178.31 175.21 3hdz h PRO 841 N 0.52 0.00 -0.24 6.41 0.11 -1.85 0.12 132.00 137.07 3hdz h PRO 841 Ca 0.64 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.71 3hdz h PRO 841 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3hdz h PRO 841 CO -0.50 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.19 3hdz h LEU 842 N 0.00 0.45 -0.15 2.35 3.38 -1.73 -1.22 115.31 118.39 3hdz h LEU 842 Ca 0.28 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hdz h LEU 842 Cb 1.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hdz h LEU 842 CO -0.00 0.68 0.10 0.25 0.09 0.00 0.00 178.44 179.55 3hdz h LEU 843 N 0.21 0.18 -0.12 1.67 6.46 -1.15 -1.16 115.31 121.39 3hdz h LEU 843 Ca 0.07 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 3hdz h LEU 843 Cb 0.47 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 3hdz h LEU 843 CO 0.02 0.14 -0.15 -0.78 -0.62 0.00 0.00 178.44 177.05 3hdz h ASP 844 N 0.19 -0.47 -0.85 1.25 3.58 -0.84 -0.63 116.42 118.65 3hdz h ASP 844 Ca 0.05 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.60 3hdz h ASP 844 Cb -0.00 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 3hdz h ASP 844 CO -0.01 -0.20 0.56 1.23 -2.88 0.00 0.00 179.24 177.94 3hdz h GLY 845 N -0.19 1.20 0.97 -0.78 0.00 -1.15 -1.16 103.07 101.96 3hdz h GLY 845 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3hdz h GLY 845 CO -0.23 0.44 0.22 0.00 0.00 0.00 0.00 176.54 176.97 3hdz h ARG 847 N 0.53 1.00 -0.78 0.00 3.08 -0.76 -0.89 114.38 116.56 3hdz h ARG 847 Ca 0.14 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3hdz h ARG 847 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3hdz h ARG 847 CO -0.02 0.95 0.45 0.87 -1.07 0.00 0.00 179.97 181.14 3hdz h LYS 848 N 0.93 1.08 -0.33 0.04 1.57 -1.06 -1.97 116.57 116.83 3hdz h LYS 848 Ca 0.18 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3hdz h LYS 848 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hdz h LYS 848 CO 0.02 0.78 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.51 3hdz h ASN 849 N 1.08 0.67 -0.48 0.86 2.35 -0.91 -2.47 115.58 116.68 3hdz h ASN 849 Ca 0.28 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3hdz h ASN 849 Cb -0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3hdz h ASN 849 CO -0.05 0.91 0.29 -0.09 -1.65 0.00 0.00 177.43 176.84 3hdz h ARG 850 N 0.58 0.57 -0.51 0.81 2.43 -0.79 -0.81 114.38 116.67 3hdz h ARG 850 Ca 0.08 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3hdz h ARG 850 Cb 0.74 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3hdz h ARG 850 CO 0.06 0.38 0.26 0.37 -1.51 0.00 0.00 179.97 179.53 3hdz h GLN 851 N 0.59 0.50 -0.17 0.20 4.15 -1.18 -0.06 115.11 119.14 3hdz h GLN 851 Ca 0.19 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3hdz h GLN 851 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3hdz h GLN 851 CO -0.08 0.33 0.08 0.87 -1.93 0.00 0.00 178.83 178.10 3hdz h LYS 852 N 0.52 0.25 -0.47 1.69 1.79 -1.09 -1.68 116.57 117.58 3hdz h LYS 852 Ca 0.22 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3hdz h LYS 852 Cb 0.11 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3hdz h LYS 852 CO -0.15 0.31 0.19 -1.49 -1.08 0.00 0.00 179.45 177.24 3hdz h TRP 853 N 0.14 0.71 -0.48 -1.35 4.06 -1.00 -2.78 115.95 115.23 3hdz h TRP 853 Ca 0.06 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 3hdz h TRP 853 Cb 0.15 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 3hdz h TRP 853 CO -0.02 0.60 0.27 0.37 -3.56 0.00 0.00 178.44 176.09 3hdz h GLN 854 N 0.62 0.66 -0.59 0.49 5.75 -0.90 0.54 115.11 121.67 3hdz h GLN 854 Ca 0.16 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3hdz h GLN 854 Cb 0.18 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3hdz h GLN 854 CO -0.01 0.49 0.18 0.00 -2.65 0.00 0.00 178.83 176.83 3hdz h ALA 855 N 1.63 1.20 -0.15 3.38 0.00 -1.12 -1.50 119.26 122.69 3hdz h ALA 855 Ca 0.17 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3hdz h ALA 855 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hdz h ALA 855 CO -0.03 0.56 -0.60 -0.07 0.00 0.00 0.00 179.25 179.12 3hdz h LEU 856 N 0.87 0.57 -0.41 0.00 3.38 -0.99 -3.31 115.31 115.42 3hdz h LEU 856 Ca 0.20 -0.32 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 3hdz h LEU 856 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3hdz h LEU 856 CO -0.01 1.04 -0.79 0.00 0.09 0.00 0.00 178.44 178.77 3hdz h ALA 857 N 0.97 0.65 -0.02 1.53 0.00 -0.57 -3.49 119.26 118.33 3hdz h ALA 857 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hdz h ALA 857 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hdz h ALA 857 CO 0.11 0.90 0.00 -0.85 0.00 0.00 0.00 179.25 179.41