#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxe s GLN 544 N 0.00 0.45 -0.00 -1.08 2.00 -1.09 -5.03 119.66 114.90 3dxe s GLN 544 Ca 0.00 0.76 0.02 0.00 -2.00 0.00 0.00 55.36 54.14 3dxe s GLN 544 Cb 0.00 0.08 -0.03 0.00 0.80 0.00 0.00 33.01 33.85 3dxe s GLN 544 CO 0.00 -0.13 -0.04 0.08 -0.50 0.00 0.00 175.29 174.70 3dxe s VAL 545 N 1.04 3.83 -0.08 1.34 1.01 -1.25 -1.08 120.40 125.21 3dxe s VAL 545 Ca -0.06 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3dxe s VAL 545 Cb -0.06 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3dxe s VAL 545 CO -0.09 0.40 -0.18 -0.31 0.00 0.00 0.00 175.10 174.92 3dxe s TYR 546 N -1.02 2.02 -0.14 5.22 1.51 0.26 -1.22 117.35 123.98 3dxe s TYR 546 Ca 0.18 -0.79 -0.28 0.00 -1.01 0.00 0.00 57.07 55.16 3dxe s TYR 546 Cb -0.11 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3dxe s TYR 546 CO 0.08 -0.34 0.97 -0.47 -1.11 0.00 0.00 175.55 174.68 3dxe s TYR 547 N 0.47 3.47 -0.95 2.71 5.04 0.24 -1.32 117.35 127.01 3dxe s TYR 547 Ca -0.16 1.50 0.24 0.00 -2.44 0.00 0.00 57.07 56.21 3dxe s TYR 547 Cb -0.17 -3.16 0.32 0.00 0.35 0.00 0.00 41.96 39.31 3dxe s TYR 547 CO 0.06 -0.26 1.28 1.28 -1.34 0.00 0.00 175.55 176.57 3dxe n LEU 548 N 5.24 0.61 0.00 6.97 4.77 0.96 -3.05 117.00 132.49 3dxe n LEU 548 Ca 0.08 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dxe n LEU 548 Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3dxe n LEU 548 CO 0.51 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3dxe n GLY 549 N 1.48 -1.32 3.07 -0.72 0.00 -1.23 -4.94 105.19 101.53 3dxe n GLY 549 Ca 0.05 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 3dxe n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxe s ASN 550 N -4.00 0.63 0.02 1.61 2.20 -1.26 -1.37 114.94 112.77 3dxe s ASN 550 Ca 0.00 -0.75 -0.04 0.00 -0.94 0.00 0.00 52.86 51.13 3dxe s ASN 550 Cb 0.00 0.11 -0.01 0.00 -2.00 0.00 0.00 41.25 39.35 3dxe s ASN 550 CO 0.00 -0.39 0.06 0.68 -2.94 0.00 0.00 177.10 174.50 3dxe s VAL 551 N -2.56 0.11 0.46 3.54 -7.23 -0.31 -4.95 120.40 109.46 3dxe s VAL 551 Ca -0.03 -0.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.97 3dxe s VAL 551 Cb -0.02 -0.56 -0.07 0.00 0.56 0.00 0.00 36.38 36.29 3dxe s VAL 551 CO -0.04 -0.52 1.20 -2.84 -0.31 0.00 0.00 175.10 172.59 3dxe s PRO 552 N -1.89 3.74 0.20 4.82 0.02 -1.26 -0.25 135.00 140.38 3dxe s PRO 552 Ca -0.11 1.86 0.05 0.00 0.02 0.00 0.00 61.00 62.82 3dxe s PRO 552 Cb -0.06 -2.45 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 3dxe s PRO 552 CO -0.02 -0.59 -0.07 0.14 -0.33 0.00 0.00 177.00 176.13 3dxe s VAL 553 N -1.48 1.29 -0.30 3.83 -7.23 -0.29 -4.81 120.40 111.40 3dxe s VAL 553 Ca 0.63 -2.09 0.23 0.00 -1.81 0.00 0.00 61.98 58.94 3dxe s VAL 553 Cb -0.31 -2.12 0.11 0.00 0.56 0.00 0.00 36.38 34.62 3dxe s VAL 553 CO 0.38 -0.53 1.22 0.00 -0.31 0.00 0.00 175.10 175.86 3dxe h ALA 554 N 2.58 0.66 -2.84 1.32 0.00 -1.97 -3.36 119.26 115.65 3dxe h ALA 554 Ca -0.38 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 3dxe h ALA 554 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 3dxe h ALA 554 CO 0.64 0.00 -0.73 0.15 0.00 0.00 0.00 179.25 179.31 3dxe s LYS 555 N -3.32 0.73 0.41 0.00 1.02 -1.26 -4.97 119.74 112.35 3dxe s LYS 555 Ca 0.02 -1.04 0.27 0.00 0.02 0.00 0.00 55.97 55.24 3dxe s LYS 555 Cb 0.08 -0.41 0.77 0.00 -0.52 0.00 0.00 37.83 37.76 3dxe s LYS 555 CO 0.75 0.06 1.75 -1.00 -0.92 0.00 0.00 175.35 175.99 3dxe h PRO 556 N 3.83 0.00 -4.28 -1.68 0.13 -1.96 -3.48 132.00 124.55 3dxe h PRO 556 Ca -0.37 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.62 3dxe h PRO 556 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 3dxe h PRO 556 CO 0.50 0.00 -0.69 0.14 -0.23 0.00 0.00 178.00 177.72 3dxe s VAL 557 N -3.32 0.29 0.00 1.56 -7.23 -1.26 -3.79 120.40 106.64 3dxe s VAL 557 Ca 0.06 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3dxe s VAL 557 Cb 0.08 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.61 3dxe s VAL 557 CO 0.59 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 3dxe n GLY 558 N 0.26 3.76 0.26 2.32 0.00 -1.26 -4.71 105.19 105.81 3dxe n GLY 558 Ca -0.15 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.93 3dxe n GLY 558 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dxe h VAL 559 N 0.00 1.12 -0.87 1.61 -1.51 -1.99 -1.85 116.25 112.76 3dxe h VAL 559 Ca 0.00 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 3dxe h VAL 559 Cb 0.00 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 3dxe h VAL 559 CO 0.00 0.16 0.52 -2.24 -1.23 0.00 0.00 177.57 174.77 3dxe h ASP 560 N 0.26 1.05 -0.19 4.19 2.03 -1.99 -0.94 116.42 120.82 3dxe h ASP 560 Ca 0.06 -0.06 -0.07 0.00 -0.73 0.00 0.00 57.03 56.22 3dxe h ASP 560 Cb 0.18 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.42 3dxe h ASP 560 CO 0.00 0.81 -0.16 0.58 -1.03 0.00 0.00 179.24 179.44 3dxe h VAL 561 N 1.20 1.33 -0.04 4.15 2.07 -1.64 -1.76 116.25 121.57 3dxe h VAL 561 Ca 0.31 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 3dxe h VAL 561 Cb -0.04 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3dxe h VAL 561 CO -0.06 0.39 -0.60 0.16 0.02 0.00 0.00 177.57 177.48 3dxe h ILE 562 N 0.12 1.41 -0.07 4.57 -0.00 -1.26 -1.58 117.51 120.70 3dxe h ILE 562 Ca 0.03 -2.02 -0.16 0.00 -0.00 0.00 0.00 64.86 62.72 3dxe h ILE 562 Cb 0.69 2.05 -0.01 0.00 -0.00 0.00 0.00 36.82 39.55 3dxe h ILE 562 CO 0.04 0.59 -0.66 0.78 -0.00 0.00 0.00 178.15 178.90 3dxe h ASN 563 N 0.09 0.35 -0.20 2.16 2.35 -1.14 -0.95 115.58 118.25 3dxe h ASN 563 Ca -0.01 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3dxe h ASN 563 Cb 1.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3dxe h ASN 563 CO 0.09 0.91 0.12 1.23 -1.65 0.00 0.00 177.43 178.13 3dxe h GLY 564 N 1.44 0.27 0.97 2.83 0.00 -1.15 -1.11 103.07 106.32 3dxe h GLY 564 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3dxe h GLY 564 CO 0.11 0.09 0.34 0.00 0.00 0.00 0.00 176.54 177.08 3dxe h ALA 565 N 1.08 0.68 -0.23 3.60 0.00 -1.12 -2.34 119.26 120.92 3dxe h ALA 565 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3dxe h ALA 565 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dxe h ALA 565 CO -0.03 0.09 0.08 -0.07 0.00 0.00 0.00 179.25 179.32 3dxe h LEU 566 N 0.69 0.33 -0.53 0.00 3.38 -1.03 -2.01 115.31 116.14 3dxe h LEU 566 Ca 0.20 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3dxe h LEU 566 Cb -0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3dxe h LEU 566 CO -0.06 0.44 0.12 -0.33 0.09 0.00 0.00 178.44 178.71 3dxe h GLU 567 N 0.21 0.26 0.16 1.13 5.08 -1.18 0.98 114.58 121.21 3dxe h GLU 567 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dxe h GLU 567 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3dxe h GLU 567 CO -0.00 0.17 -0.12 0.77 -1.00 0.00 0.00 179.01 178.83 3dxe h SER 568 N 0.27 -0.32 -0.52 1.42 0.02 -1.21 -0.75 113.55 112.46 3dxe h SER 568 Ca 0.27 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3dxe h SER 568 Cb 0.37 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3dxe h SER 568 CO -0.34 -0.19 0.12 1.62 -1.14 0.00 0.00 176.83 176.90 3dxe h VAL 569 N -0.29 1.24 -0.98 2.27 3.04 -1.27 -2.69 116.25 117.57 3dxe h VAL 569 Ca -0.01 -0.87 0.04 0.00 -1.01 0.00 0.00 66.70 64.85 3dxe h VAL 569 Cb 0.26 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 30.30 3dxe h VAL 569 CO -0.01 0.32 0.64 -0.07 -1.01 0.00 0.00 177.57 177.44 3dxe h LEU 570 N 0.73 1.07 -1.66 3.16 3.38 -0.64 -2.65 115.31 118.70 3dxe h LEU 570 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3dxe h LEU 570 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dxe h LEU 570 CO 0.00 0.73 -0.17 0.77 0.09 0.00 0.00 178.44 179.87 3dxe h SER 571 N 1.24 0.00 -0.37 -0.43 4.64 -0.81 -3.24 113.55 114.58 3dxe h SER 571 Ca 0.39 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3dxe h SER 571 Cb 0.01 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3dxe h SER 571 CO -0.12 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 3dxe n SER 572 N -4.34 3.60 -4.08 4.97 3.41 -1.01 -4.96 113.62 111.22 3dxe n SER 572 Ca -0.02 -2.45 -0.07 0.00 -0.26 0.00 0.00 58.87 56.06 3dxe n SER 572 Cb 0.23 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 3dxe n SER 572 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dxe s SER 573 N -1.33 0.47 0.26 4.04 1.04 -1.16 -5.08 113.70 111.94 3dxe s SER 573 Ca 0.35 -0.98 0.10 0.00 0.48 0.00 0.00 55.95 55.90 3dxe s SER 573 Cb 0.24 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3dxe s SER 573 CO 0.15 -0.61 -0.05 -0.94 0.98 0.00 0.00 173.24 172.77 3dxe s SER 574 N -2.92 4.35 0.54 7.02 1.04 -1.26 -4.91 113.70 117.57 3dxe s SER 574 Ca 0.07 -0.70 0.25 0.00 0.48 0.00 0.00 55.95 56.06 3dxe s SER 574 Cb 0.08 -0.74 1.43 0.00 0.10 0.00 0.00 66.02 66.88 3dxe s SER 574 CO -0.10 0.02 2.01 0.03 0.98 0.00 0.00 173.24 176.18 3dxe h ARG 575 N 2.10 0.00 0.00 4.02 3.08 -1.98 -0.91 114.38 120.69 3dxe h ARG 575 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 3dxe h ARG 575 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dxe h ARG 575 CO 0.59 0.00 -0.07 0.93 -1.07 0.00 0.00 179.97 180.35 3dxe h GLU 576 N 0.00 0.00 0.00 0.04 5.08 -2.06 -2.38 114.58 115.26 3dxe h GLU 576 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dxe h GLU 576 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3dxe h GLU 576 CO -0.00 0.07 -0.33 1.96 -1.00 0.00 0.00 179.01 179.71 3dxe h GLN 577 N 0.00 0.00 -6.65 2.33 4.20 -1.57 -3.47 115.11 109.95 3dxe h GLN 577 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3dxe h GLN 577 Cb 0.16 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.97 3dxe h GLN 577 CO 0.01 0.00 0.72 -1.58 -0.67 0.00 0.00 178.83 177.31 3dxe s TRP 578 N -3.19 3.18 -0.46 2.96 0.51 -0.90 -4.96 118.94 116.07 3dxe s TRP 578 Ca 0.07 1.04 -0.25 0.00 -2.12 0.00 0.00 56.10 54.83 3dxe s TRP 578 Cb 0.10 -3.71 0.03 0.00 -0.81 0.00 0.00 33.47 29.08 3dxe s TRP 578 CO 0.68 -2.36 0.92 0.99 -0.51 0.00 0.00 176.95 176.67 3dxe s THR 579 N 0.46 4.47 0.32 2.01 2.01 -1.17 -4.93 115.64 118.81 3dxe s THR 579 Ca 0.61 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 3dxe s THR 579 Cb -0.39 -4.44 -0.11 0.00 0.01 0.00 0.00 72.50 67.57 3dxe s THR 579 CO 0.36 -0.84 1.57 -0.81 -0.69 0.00 0.00 174.62 174.21 3dxe n PRO 580 N 7.16 2.71 -3.83 4.92 -0.04 -1.26 -0.59 135.00 144.07 3dxe n PRO 580 Ca 0.06 0.96 -0.07 0.00 -0.04 0.00 0.00 63.50 64.41 3dxe n PRO 580 Cb 0.48 -2.73 0.02 0.00 -0.04 0.00 0.00 33.50 31.23 3dxe n PRO 580 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dxe s SER 581 N 0.34 -0.03 0.06 3.54 1.04 -0.36 -2.09 113.70 116.20 3dxe s SER 581 Ca 0.61 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 3dxe s SER 581 Cb -0.49 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 3dxe s SER 581 CO 0.52 -1.44 0.10 -1.38 0.98 0.00 0.00 173.24 172.02 3dxe s HIS 582 N -2.47 0.27 -0.20 5.02 -3.43 -0.74 -3.79 115.29 109.95 3dxe s HIS 582 Ca 0.16 -0.70 -0.03 0.00 -0.80 0.00 0.00 55.06 53.69 3dxe s HIS 582 Cb -0.04 -0.18 -0.01 0.00 -1.43 0.00 0.00 32.58 30.91 3dxe s HIS 582 CO 0.09 -0.44 -0.05 0.08 -2.00 0.00 0.00 174.74 172.42 3dxe s VAL 583 N -3.52 3.43 -0.42 -5.38 1.01 -1.26 -1.65 120.40 112.61 3dxe s VAL 583 Ca 0.03 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 3dxe s VAL 583 Cb 0.04 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3dxe s VAL 583 CO -0.09 0.44 0.84 -0.55 0.00 0.00 0.00 175.10 175.75 3dxe s SER 584 N 1.19 6.50 -0.25 3.32 0.15 0.01 -4.94 113.70 119.69 3dxe s SER 584 Ca 0.02 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.74 3dxe s SER 584 Cb -0.14 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3dxe s SER 584 CO -0.01 -0.90 0.10 -0.69 1.20 0.00 0.00 173.24 172.93 3dxe s VAL 585 N 3.41 4.65 0.09 4.45 1.01 -1.26 -0.83 120.40 131.91 3dxe s VAL 585 Ca 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3dxe s VAL 585 Cb -0.12 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3dxe s VAL 585 CO 0.22 0.34 -0.09 0.00 0.00 0.00 0.00 175.10 175.56 3dxe s ALA 586 N 1.44 0.99 0.50 5.51 0.00 -0.17 -5.03 121.76 125.00 3dxe s ALA 586 Ca 0.06 -1.13 0.27 0.00 0.00 0.00 0.00 51.96 51.16 3dxe s ALA 586 Cb -0.15 0.05 1.36 0.00 0.00 0.00 0.00 23.12 24.37 3dxe s ALA 586 CO 0.05 -0.05 1.90 -1.35 0.00 0.00 0.00 175.76 176.30 3dxe h PRO 587 N 3.68 0.11 0.01 0.00 0.11 -1.93 -2.71 132.00 131.27 3dxe h PRO 587 Ca -0.37 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 3dxe h PRO 587 Cb 1.19 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dxe h PRO 587 CO 0.52 0.08 -0.38 0.00 -0.21 0.00 0.00 178.00 178.01 3dxe h ALA 588 N 1.60 0.03 -2.65 -0.75 0.00 -1.96 -3.41 119.26 112.11 3dxe h ALA 588 Ca 0.41 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3dxe h ALA 588 Cb 1.45 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 19.08 3dxe h ALA 588 CO -0.06 0.18 -0.49 0.95 0.00 0.00 0.00 179.25 179.83 3dxe s THR 589 N -3.03 0.11 -0.17 0.00 -4.23 -1.02 -0.86 115.64 106.44 3dxe s THR 589 Ca -0.15 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 3dxe s THR 589 Cb 0.01 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 3dxe s THR 589 CO 0.77 -0.50 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.55 3dxe s LEU 590 N -1.84 3.22 -0.21 4.79 1.43 0.48 -1.00 118.68 125.54 3dxe s LEU 590 Ca -0.09 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3dxe s LEU 590 Cb -0.04 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 3dxe s LEU 590 CO -0.02 0.14 -0.08 -0.89 0.23 0.00 0.00 176.35 175.73 3dxe s THR 591 N 0.54 3.06 -0.20 5.49 2.01 -0.01 -0.70 115.64 125.83 3dxe s THR 591 Ca -0.03 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3dxe s THR 591 Cb -0.14 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3dxe s THR 591 CO 0.03 0.45 0.66 -0.63 -0.69 0.00 0.00 174.62 174.44 3dxe s ILE 592 N 1.37 5.00 -0.07 1.82 1.01 -0.29 -0.81 121.20 129.24 3dxe s ILE 592 Ca 0.05 1.24 0.04 0.00 0.00 0.00 0.00 60.65 61.98 3dxe s ILE 592 Cb -0.14 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3dxe s ILE 592 CO -0.05 0.10 -0.18 -0.76 0.00 0.00 0.00 174.94 174.04 3dxe s LEU 593 N 1.97 1.90 0.32 2.97 1.43 -0.66 0.17 118.68 126.78 3dxe s LEU 593 Ca 0.30 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3dxe s LEU 593 Cb -0.16 -1.10 -0.12 0.00 0.03 0.00 0.00 46.19 44.84 3dxe s LEU 593 CO 0.10 0.13 1.44 1.57 0.23 0.00 0.00 176.35 179.82 3dxe n HIS 594 N 3.46 2.60 -0.19 0.29 -0.00 -0.03 -1.79 115.22 119.55 3dxe n HIS 594 Ca -0.20 0.43 -0.05 0.00 -0.00 0.00 0.00 57.72 57.90 3dxe n HIS 594 Cb 0.52 -2.50 -0.04 0.00 -0.00 0.00 0.00 29.99 27.97 3dxe n HIS 594 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 3dxe n GLN 595 N 1.18 -0.20 -0.09 1.57 7.27 -0.89 -1.39 117.38 124.83 3dxe n GLN 595 Ca 0.06 1.21 -0.23 0.00 0.07 0.00 0.00 57.00 58.11 3dxe n GLN 595 Cb 0.36 -1.80 -0.12 0.00 2.41 0.00 0.00 30.24 31.09 3dxe n GLN 595 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 3dxe n GLN 596 N -4.00 0.63 0.24 3.69 -0.06 -1.26 -4.37 117.38 112.25 3dxe n GLN 596 Ca 0.01 0.36 0.14 0.00 -2.00 0.00 0.00 57.00 55.51 3dxe n GLN 596 Cb 0.12 -1.64 0.44 0.00 -4.06 0.00 0.00 30.24 25.09 3dxe n GLN 596 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 3dxe h THR 597 N -0.60 0.11 -1.50 1.69 1.35 -1.99 -3.47 112.91 108.51 3dxe h THR 597 Ca -0.49 -0.85 -0.41 0.00 -0.55 0.00 0.00 66.41 64.11 3dxe h THR 597 Cb 1.64 1.77 -0.13 0.00 -1.73 0.00 0.00 68.15 69.70 3dxe h THR 597 CO -0.18 0.05 -0.42 -0.62 -0.25 0.00 0.00 175.52 174.11 3dxe n GLU 598 N -3.14 -1.48 -1.96 4.72 -0.58 -0.49 -4.97 120.64 112.75 3dxe n GLU 598 Ca 0.02 1.16 -0.41 0.00 -0.42 0.00 0.00 57.16 57.51 3dxe n GLU 598 Cb 0.42 -5.60 -0.01 0.00 -0.57 0.00 0.00 31.44 25.69 3dxe n GLU 598 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxe s ALA 599 N -2.83 3.54 -0.22 0.62 0.00 -1.26 -4.59 121.76 117.02 3dxe s ALA 599 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3dxe s ALA 599 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3dxe s ALA 599 CO 0.00 -0.86 1.15 0.08 0.00 0.00 0.00 175.76 176.14 3dxe s VAL 600 N -1.13 4.47 -0.08 0.00 1.01 -1.26 -0.86 120.40 122.54 3dxe s VAL 600 Ca 0.51 1.76 0.21 0.00 0.00 0.00 0.00 61.98 64.46 3dxe s VAL 600 Cb -0.43 -4.18 -0.28 0.00 0.00 0.00 0.00 36.38 31.49 3dxe s VAL 600 CO 0.58 -0.21 0.49 0.18 0.00 0.00 0.00 175.10 176.14 3dxe n LEU 601 N 6.58 0.13 -3.56 3.92 4.77 0.13 -4.96 117.00 124.00 3dxe n LEU 601 Ca 0.13 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 3dxe n LEU 601 Cb 0.46 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3dxe n LEU 601 CO 0.55 0.07 0.88 -0.83 -1.33 0.00 0.00 177.39 176.73 3dxe s GLY 602 N -4.67 -0.36 -0.02 -0.72 0.00 -1.17 -4.97 107.32 95.40 3dxe s GLY 602 Ca -0.07 1.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.98 3dxe s GLY 602 CO 0.88 0.44 0.03 1.85 0.00 0.00 0.00 173.10 176.30 3dxe s GLU 603 N -2.71 -0.03 -0.07 2.90 2.12 -1.26 -1.13 118.70 118.52 3dxe s GLU 603 Ca 0.08 0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.63 3dxe s GLU 603 Cb -0.01 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.15 3dxe s GLU 603 CO -0.06 -0.17 -0.15 0.00 -0.54 0.00 0.00 175.26 174.35 3dxe s ARG 605 N 0.55 4.51 0.38 0.00 0.52 -1.26 -0.39 118.95 123.25 3dxe s ARG 605 Ca -0.14 1.44 0.04 0.00 -0.52 0.00 0.00 55.73 56.55 3dxe s ARG 605 Cb -0.16 -3.48 0.73 0.00 0.52 0.00 0.00 34.95 32.57 3dxe s ARG 605 CO 0.04 -0.15 2.03 0.28 0.02 0.00 0.00 175.30 177.52 3dxe h VAL 606 N 4.88 1.13 0.00 3.52 2.07 -1.24 -1.77 116.25 124.85 3dxe h VAL 606 Ca -0.38 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3dxe h VAL 606 Cb 1.20 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3dxe h VAL 606 CO 0.79 0.13 -0.01 0.08 0.02 0.00 0.00 177.57 178.59 3dxe h ARG 607 N 0.73 0.00 -0.57 1.57 0.11 -1.84 -2.03 114.38 112.35 3dxe h ARG 607 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3dxe h ARG 607 Cb -0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.02 3dxe h ARG 607 CO -0.05 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.22 3dxe n PHE 608 N -3.59 0.76 -2.53 4.08 3.72 -0.67 -4.89 117.46 114.34 3dxe n PHE 608 Ca -0.03 -0.49 -0.43 0.00 -0.05 0.00 0.00 57.45 56.45 3dxe n PHE 608 Cb 0.09 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 3dxe n PHE 608 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dxe s LEU 609 N -1.01 3.99 -0.04 4.37 0.20 -0.76 0.01 118.68 125.45 3dxe s LEU 609 Ca 0.38 1.28 0.07 0.00 0.69 0.00 0.00 54.13 56.55 3dxe s LEU 609 Cb 0.20 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 42.18 3dxe s LEU 609 CO 0.26 -0.88 0.68 0.77 -0.29 0.00 0.00 176.35 176.89 3dxe h SER 610 N 8.36 0.12 -5.00 3.68 4.64 -1.38 -3.48 113.55 120.50 3dxe h SER 610 Ca -0.23 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 3dxe h SER 610 Cb 1.08 -0.04 -0.19 0.00 -0.31 0.00 0.00 62.40 62.94 3dxe h SER 610 CO 1.01 1.22 0.03 0.12 -0.87 0.00 0.00 176.83 178.34 3dxe s PHE 611 N -2.60 -0.48 0.09 4.77 5.36 -1.21 -4.91 117.98 119.00 3dxe s PHE 611 Ca -0.08 0.76 -0.10 0.00 -0.96 0.00 0.00 56.93 56.56 3dxe s PHE 611 Cb 0.08 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 3dxe s PHE 611 CO 0.82 -0.56 0.22 -0.48 -1.46 0.00 0.00 175.22 173.76 3dxe s LEU 612 N -1.39 1.29 0.00 6.12 0.05 -1.26 -0.76 118.68 122.73 3dxe s LEU 612 Ca -0.11 -0.60 -0.28 0.00 0.05 0.00 0.00 54.13 53.19 3dxe s LEU 612 Cb -0.02 1.14 0.10 0.00 -2.05 0.00 0.00 46.19 45.36 3dxe s LEU 612 CO 0.06 -0.74 0.84 0.00 -0.55 0.00 0.00 176.35 175.96 3dxe s ALA 613 N -3.83 -1.80 -0.02 1.48 0.00 -0.48 -5.01 121.76 112.10 3dxe s ALA 613 Ca 0.04 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 3dxe s ALA 613 Cb 0.04 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3dxe s ALA 613 CO -0.11 -0.64 0.57 0.08 0.00 0.00 0.00 175.76 175.67 3dxe s VAL 614 N -2.87 4.95 1.17 0.00 1.01 -1.26 -1.42 120.40 121.98 3dxe s VAL 614 Ca 0.03 1.19 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 3dxe s VAL 614 Cb -0.01 -3.91 0.27 0.00 0.00 0.00 0.00 36.38 32.74 3dxe s VAL 614 CO -0.07 0.42 1.05 -0.83 0.00 0.00 0.00 175.10 175.66 3dxe s GLY 615 N -0.14 1.53 0.38 4.51 0.00 -0.87 -4.95 107.32 107.78 3dxe s GLY 615 Ca 0.30 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.59 3dxe s GLY 615 CO 0.16 0.25 1.88 3.21 0.00 0.00 0.00 173.10 178.61 3dxe h ARG 616 N -2.55 0.18 -5.99 2.90 2.47 -1.96 -3.34 114.38 106.10 3dxe h ARG 616 Ca -0.53 -0.05 -0.59 0.00 -1.26 0.00 0.00 59.98 57.55 3dxe h ARG 616 Cb 1.33 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.54 3dxe h ARG 616 CO 0.46 0.39 0.59 0.34 0.56 0.00 0.00 179.97 182.30 3dxe s ASP 617 N -6.90 6.78 0.36 7.04 -1.08 -1.26 -4.95 116.67 116.67 3dxe s ASP 617 Ca -0.05 0.84 0.15 0.00 -0.52 0.00 0.00 52.55 52.97 3dxe s ASP 617 Cb 0.15 -2.46 0.84 0.00 -1.46 0.00 0.00 42.92 39.98 3dxe s ASP 617 CO 0.73 -0.72 1.39 1.62 0.52 0.00 0.00 175.17 178.71 3dxe h VAL 618 N 5.64 0.00 0.00 1.11 3.04 -1.96 0.42 116.25 124.50 3dxe h VAL 618 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3dxe h VAL 618 Cb 1.08 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3dxe h VAL 618 CO 0.95 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 177.96 3dxe h HIS 619 N 0.00 0.00 -3.34 3.17 3.86 -1.86 -0.69 115.15 116.29 3dxe h HIS 619 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3dxe h HIS 619 Cb 0.57 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 3dxe h HIS 619 CO 0.00 0.00 0.04 0.95 0.86 0.00 0.00 177.93 179.78 3dxe s THR 620 N -3.21 4.66 0.02 2.45 -4.23 0.14 0.02 115.64 115.48 3dxe s THR 620 Ca 0.07 1.39 0.04 0.00 -1.18 0.00 0.00 61.69 62.01 3dxe s THR 620 Cb 0.06 -3.99 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 3dxe s THR 620 CO 0.65 0.51 -0.11 0.12 -0.54 0.00 0.00 174.62 175.25 3dxe s PHE 621 N -0.90 0.98 -0.04 3.99 5.36 -0.78 -2.05 117.98 124.54 3dxe s PHE 621 Ca 0.32 -0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 55.90 3dxe s PHE 621 Cb -0.20 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3dxe s PHE 621 CO 0.21 -0.00 0.25 0.00 -1.46 0.00 0.00 175.22 174.22 3dxe s ALA 622 N -0.60 -0.63 0.06 11.12 0.00 -0.51 -1.17 121.76 130.03 3dxe s ALA 622 Ca 0.01 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.38 3dxe s ALA 622 Cb -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3dxe s ALA 622 CO 0.00 -0.20 -0.15 -0.59 0.00 0.00 0.00 175.76 174.82 3dxe s PHE 623 N -0.85 1.26 -0.17 0.00 -0.71 -0.65 -1.39 117.98 115.47 3dxe s PHE 623 Ca -0.09 -0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 55.32 3dxe s PHE 623 Cb -0.05 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 3dxe s PHE 623 CO 0.02 0.05 0.09 0.42 -1.34 0.00 0.00 175.22 174.46 3dxe s ILE 624 N -1.04 5.03 -0.09 -4.49 1.01 0.06 -0.93 121.20 120.74 3dxe s ILE 624 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3dxe s ILE 624 Cb -0.09 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3dxe s ILE 624 CO 0.02 0.49 -0.04 -0.04 0.00 0.00 0.00 174.94 175.37 3dxe s MET 625 N 0.08 3.05 -0.77 2.79 -1.94 0.35 -1.12 119.30 121.73 3dxe s MET 625 Ca 0.07 -0.50 -0.24 0.00 -1.71 0.00 0.00 55.69 53.31 3dxe s MET 625 Cb -0.12 -2.73 0.06 0.00 2.01 0.00 0.00 34.83 34.05 3dxe s MET 625 CO 0.00 0.57 1.18 0.00 -0.01 0.00 0.00 175.02 176.76 3dxe s ALA 626 N -0.54 2.93 0.00 3.03 0.00 0.10 -1.36 121.76 125.93 3dxe s ALA 626 Ca 0.08 -1.81 0.16 0.00 0.00 0.00 0.00 51.96 50.40 3dxe s ALA 626 Cb -0.12 -4.14 0.30 0.00 0.00 0.00 0.00 23.12 19.16 3dxe s ALA 626 CO 0.02 -3.13 1.55 0.00 0.00 0.00 0.00 175.76 174.20 3dxe h ALA 627 N 9.72 0.78 -2.97 0.00 0.00 -0.44 -3.46 119.26 122.88 3dxe h ALA 627 Ca -0.17 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 3dxe h ALA 627 Cb 1.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3dxe h ALA 627 CO 1.25 0.62 0.13 0.20 0.00 0.00 0.00 179.25 181.45 3dxe s GLY 628 N -4.44 0.54 0.31 0.00 0.00 -0.86 -4.97 107.32 97.91 3dxe s GLY 628 Ca 0.02 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 43.97 3dxe s GLY 628 CO 0.73 -0.45 1.70 -2.55 0.00 0.00 0.00 173.10 172.53 3dxe h PRO 629 N 2.05 0.44 -0.14 2.90 0.11 -2.02 -1.96 132.00 133.38 3dxe h PRO 629 Ca -0.29 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 3dxe h PRO 629 Cb 1.25 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 3dxe h PRO 629 CO 0.37 0.29 -0.75 0.00 -0.21 0.00 0.00 178.00 177.69 3dxe n ALA 630 N -2.39 3.37 -3.72 -0.75 0.00 -1.26 -5.02 120.51 110.75 3dxe n ALA 630 Ca 0.26 -3.04 -0.19 0.00 0.00 0.00 0.00 53.44 50.46 3dxe n ALA 630 Cb 0.76 -0.50 -0.17 0.00 0.00 0.00 0.00 19.45 19.54 3dxe n ALA 630 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxe s SER 631 N -2.97 0.95 -0.04 0.00 0.15 -0.74 -5.09 113.70 105.97 3dxe s SER 631 Ca 0.38 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 57.05 3dxe s SER 631 Cb 0.38 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3dxe s SER 631 CO -0.08 -0.17 -0.13 -0.36 1.20 0.00 0.00 173.24 173.69 3dxe s PHE 632 N 1.64 1.38 -0.05 3.44 0.08 -1.26 0.31 117.98 123.52 3dxe s PHE 632 Ca -0.01 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3dxe s PHE 632 Cb -0.13 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3dxe s PHE 632 CO -0.03 -0.16 -0.08 0.00 -0.10 0.00 0.00 175.22 174.86 3dxe s HIS 635 N 1.12 3.23 0.04 0.00 3.76 -0.11 -1.16 115.29 122.17 3dxe s HIS 635 Ca 0.03 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 3dxe s HIS 635 Cb -0.14 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 3dxe s HIS 635 CO 0.02 0.12 -0.12 -1.64 -0.85 0.00 0.00 174.74 172.28 3dxe s MET 636 N 0.42 0.79 0.02 1.40 -1.94 -0.47 -1.64 119.30 117.89 3dxe s MET 636 Ca 0.03 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.27 3dxe s MET 636 Cb -0.13 -0.75 -0.02 0.00 2.01 0.00 0.00 34.83 35.94 3dxe s MET 636 CO 0.01 0.18 -0.00 -0.06 -0.01 0.00 0.00 175.02 175.13 3dxe s PHE 637 N -0.93 0.27 -0.14 -0.03 0.40 -0.31 -0.03 117.98 117.22 3dxe s PHE 637 Ca -0.01 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 3dxe s PHE 637 Cb -0.08 -0.20 -0.01 0.00 0.51 0.00 0.00 43.02 43.24 3dxe s PHE 637 CO 0.01 -0.25 -0.16 -0.46 0.70 0.00 0.00 175.22 175.06 3dxe s TRP 638 N -1.93 2.75 -0.08 0.36 -0.11 -0.43 -1.87 118.94 117.62 3dxe s TRP 638 Ca -0.11 -0.91 0.03 0.00 1.22 0.00 0.00 56.10 56.33 3dxe s TRP 638 Cb -0.06 -1.84 0.01 0.00 -1.50 0.00 0.00 33.47 30.07 3dxe s TRP 638 CO -0.02 -0.38 -0.18 0.00 -4.62 0.00 0.00 176.95 171.75 3dxe s GLU 640 N 0.47 2.80 0.53 0.00 0.41 -0.24 -2.80 118.70 119.87 3dxe s GLU 640 Ca -0.16 -0.63 0.32 0.00 -0.41 0.00 0.00 54.97 54.09 3dxe s GLU 640 Cb -0.17 -2.53 1.24 0.00 -1.78 0.00 0.00 34.13 30.89 3dxe s GLU 640 CO 0.06 0.55 1.94 -1.00 -0.49 0.00 0.00 175.26 176.32 3dxe h PRO 641 N 5.60 0.00 -2.69 0.39 0.13 -1.97 -2.89 132.00 130.56 3dxe h PRO 641 Ca -0.43 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.80 3dxe h PRO 641 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3dxe h PRO 641 CO 0.53 0.02 0.42 0.54 -0.23 0.00 0.00 178.00 179.27 3dxe s ASN 642 N -5.79 -0.07 0.00 1.44 2.20 -1.12 -4.78 114.94 106.82 3dxe s ASN 642 Ca 0.02 -0.75 0.25 0.00 -0.94 0.00 0.00 52.86 51.44 3dxe s ASN 642 Cb 0.09 0.64 0.95 0.00 -2.00 0.00 0.00 41.25 40.92 3dxe s ASN 642 CO 0.56 -1.23 1.67 0.00 -2.94 0.00 0.00 177.10 175.16 3dxe n ALA 643 N -0.56 2.55 0.17 3.54 0.00 -0.27 -4.56 120.51 121.39 3dxe n ALA 643 Ca -0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 3dxe n ALA 643 Cb 0.60 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 3dxe n ALA 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxe h ALA 644 N 4.20 -0.50 -0.69 0.00 0.00 -1.94 -1.29 119.26 119.04 3dxe h ALA 644 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3dxe h ALA 644 Cb 0.47 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3dxe h ALA 644 CO 0.00 -0.81 0.17 0.66 0.00 0.00 0.00 179.25 179.27 3dxe h SER 645 N -0.52 1.03 -0.18 0.00 4.64 -2.00 -1.32 113.55 115.21 3dxe h SER 645 Ca -0.01 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 3dxe h SER 645 Cb 0.48 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3dxe h SER 645 CO -0.05 0.98 -0.20 0.25 -0.87 0.00 0.00 176.83 176.94 3dxe h LEU 646 N 1.03 0.48 -0.83 5.97 5.85 -1.86 -1.31 115.31 124.64 3dxe h LEU 646 Ca 0.22 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3dxe h LEU 646 Cb 0.36 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3dxe h LEU 646 CO 0.00 0.88 0.55 0.77 -0.34 0.00 0.00 178.44 180.30 3dxe h SER 647 N 0.10 0.95 -0.41 1.25 4.64 -1.10 -0.86 113.55 118.11 3dxe h SER 647 Ca 0.02 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3dxe h SER 647 Cb 0.75 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3dxe h SER 647 CO 0.05 0.68 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.17 3dxe h GLU 648 N 1.12 0.91 -0.24 4.77 5.08 -1.23 -0.27 114.58 124.71 3dxe h GLU 648 Ca 0.31 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3dxe h GLU 648 Cb -0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3dxe h GLU 648 CO -0.07 1.02 0.11 0.00 -1.00 0.00 0.00 179.01 179.07 3dxe h ALA 649 N 0.98 0.28 -0.56 3.43 0.00 -0.85 -0.63 119.26 121.92 3dxe h ALA 649 Ca 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3dxe h ALA 649 Cb 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3dxe h ALA 649 CO 0.06 -0.29 -0.03 0.28 0.00 0.00 0.00 179.25 179.26 3dxe h VAL 650 N 0.24 1.26 -0.78 0.00 2.07 -1.03 -1.43 116.25 116.59 3dxe h VAL 650 Ca 0.10 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3dxe h VAL 650 Cb 0.03 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3dxe h VAL 650 CO -0.07 0.41 0.51 -0.61 0.02 0.00 0.00 177.57 177.83 3dxe h GLN 651 N 0.90 1.00 -0.97 1.57 4.15 -0.86 -2.15 115.11 118.74 3dxe h GLN 651 Ca 0.16 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.53 3dxe h GLN 651 Cb 0.56 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 3dxe h GLN 651 CO 0.03 0.66 0.64 0.00 -1.93 0.00 0.00 178.83 178.23 3dxe h ALA 652 N 1.30 1.23 -0.18 3.38 0.00 -0.60 -0.40 119.26 123.99 3dxe h ALA 652 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3dxe h ALA 652 Cb -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 3dxe h ALA 652 CO -0.08 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.83 3dxe h ALA 653 N 1.35 0.18 -0.88 0.00 0.00 -0.83 -1.77 119.26 117.32 3dxe h ALA 653 Ca 0.35 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.36 3dxe h ALA 653 Cb -0.15 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3dxe h ALA 653 CO -0.08 -0.40 0.55 0.00 0.00 0.00 0.00 179.25 179.33 3dxe h MET 655 N 1.02 0.40 -0.34 0.00 2.86 -0.58 -0.79 114.93 117.51 3dxe h MET 655 Ca 0.38 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.81 3dxe h MET 655 Cb 0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3dxe h MET 655 CO -0.16 0.40 -0.37 -0.07 1.06 0.00 0.00 176.91 177.77 3dxe h LEU 656 N 0.31 0.86 -0.76 1.22 3.38 -1.20 -2.36 115.31 116.76 3dxe h LEU 656 Ca 0.10 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3dxe h LEU 656 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3dxe h LEU 656 CO -0.01 1.13 0.27 -0.09 0.09 0.00 0.00 178.44 179.83 3dxe h ARG 657 N 0.67 1.17 -0.23 1.13 9.65 -0.76 -1.98 114.38 124.03 3dxe h ARG 657 Ca 0.06 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3dxe h ARG 657 Cb 0.93 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3dxe h ARG 657 CO 0.09 0.97 0.14 -0.92 2.80 0.00 0.00 179.97 183.05 3dxe h TYR 658 N 1.12 0.30 -0.57 2.20 3.20 -1.04 -1.99 116.97 120.20 3dxe h TYR 658 Ca 0.25 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.23 3dxe h TYR 658 Cb 0.26 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 3dxe h TYR 658 CO 0.02 0.22 0.10 0.37 -1.64 0.00 0.00 178.16 177.24 3dxe h GLN 659 N 0.29 0.23 -0.70 1.82 5.75 -1.25 -1.54 115.11 119.71 3dxe h GLN 659 Ca 0.08 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.72 3dxe h GLN 659 Cb 0.01 -0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.40 3dxe h GLN 659 CO -0.02 0.15 0.15 0.87 -2.65 0.00 0.00 178.83 177.34 3dxe h LYS 660 N 0.23 0.25 -0.98 1.69 1.57 -1.04 0.24 116.57 118.53 3dxe h LYS 660 Ca 0.30 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3dxe h LYS 660 Cb 0.44 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3dxe h LYS 660 CO -0.40 0.17 0.64 0.00 -0.57 0.00 0.00 179.45 179.29 3dxe h LEU 662 N 1.19 0.80 -1.71 0.00 3.38 -0.57 -3.13 115.31 115.28 3dxe h LEU 662 Ca 0.41 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3dxe h LEU 662 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dxe h LEU 662 CO -0.15 1.13 -0.00 0.44 0.09 0.00 0.00 178.44 179.95 3dxe h ASP 663 N 0.49 0.16 0.50 -0.43 3.32 -0.18 -1.66 116.42 118.61 3dxe h ASP 663 Ca 0.04 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3dxe h ASP 663 Cb 0.93 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3dxe h ASP 663 CO 0.08 0.20 -0.38 0.00 -1.72 0.00 0.00 179.24 177.42 3dxe h ALA 664 N 1.83 1.24 -0.09 3.45 0.00 -0.96 -3.19 119.26 121.54 3dxe h ALA 664 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dxe h ALA 664 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dxe h ALA 664 CO 0.00 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.27 3dxe n ARG 665 N -3.90 2.07 0.00 0.00 1.74 -1.06 -5.11 116.66 110.41 3dxe n ARG 665 Ca -0.01 -1.43 0.04 0.00 -0.77 0.00 0.00 57.85 55.67 3dxe n ARG 665 Cb 0.44 -1.08 0.25 0.00 -1.02 0.00 0.00 32.46 31.05 3dxe n ARG 665 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98