#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxe s GLU 538 N 0.00 2.00 0.03 1.20 -1.05 -1.26 -4.31 118.70 115.31 3dxe s GLU 538 Ca 0.00 1.70 0.09 0.00 -0.15 0.00 0.00 54.97 56.61 3dxe s GLU 538 Cb 0.00 -1.82 -0.23 0.00 -0.44 0.00 0.00 34.13 31.64 3dxe s GLU 538 CO 0.00 -1.93 0.92 -0.07 0.95 0.00 0.00 175.26 175.14 3dxe h LEU 539 N -0.53 0.03 -7.96 1.83 3.38 0.50 -3.47 115.31 109.08 3dxe h LEU 539 Ca -0.47 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 3dxe h LEU 539 Cb 1.29 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.91 3dxe h LEU 539 CO 0.49 1.04 -0.25 0.68 0.09 0.00 0.00 178.44 180.48 3dxe s VAL 540 N -2.64 0.07 0.42 1.22 -7.23 -1.24 -5.08 120.40 105.91 3dxe s VAL 540 Ca -0.03 -1.23 -0.25 0.00 -1.81 0.00 0.00 61.98 58.65 3dxe s VAL 540 Cb 0.09 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 3dxe s VAL 540 CO 0.82 -0.30 1.29 0.00 -0.31 0.00 0.00 175.10 176.61 3dxe n GLN 541 N -0.22 1.98 -1.55 4.82 6.02 -1.26 -4.52 117.38 122.64 3dxe n GLN 541 Ca -0.09 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 57.24 3dxe n GLN 541 Cb 0.63 -2.42 0.07 0.00 1.02 0.00 0.00 30.24 29.54 3dxe n GLN 541 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dxe n LYS 542 N 0.01 0.79 -3.57 -1.09 5.02 -1.26 -4.90 118.16 113.16 3dxe n LYS 542 Ca 0.06 0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 3dxe n LYS 542 Cb 0.40 -2.27 -0.09 0.00 -0.02 0.00 0.00 35.03 33.05 3dxe n LYS 542 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3dxe s PHE 543 N -1.60 3.35 -0.44 2.13 0.08 -0.76 -4.84 117.98 115.90 3dxe s PHE 543 Ca 0.77 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.98 3dxe s PHE 543 Cb -0.38 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3dxe s PHE 543 CO 0.46 0.08 0.76 -0.65 -0.10 0.00 0.00 175.22 175.77 3dxe s GLN 544 N 1.03 3.43 0.26 0.44 -1.52 -1.26 -0.76 119.66 121.27 3dxe s GLN 544 Ca 0.12 -0.10 0.01 0.00 -1.95 0.00 0.00 55.36 53.44 3dxe s GLN 544 Cb -0.14 -3.93 -0.00 0.00 -0.22 0.00 0.00 33.01 28.72 3dxe s GLN 544 CO 0.05 -1.07 0.31 1.33 -0.25 0.00 0.00 175.29 175.66 3dxe n VAL 545 N 6.06 0.00 -4.10 1.09 0.24 0.10 -4.73 118.33 117.00 3dxe n VAL 545 Ca 0.02 -1.52 -0.34 0.00 -2.04 0.00 0.00 64.34 60.45 3dxe n VAL 545 Cb 0.48 0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 33.60 3dxe n VAL 545 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3dxe s TYR 546 N -3.27 3.18 -0.25 6.34 1.51 -0.32 -0.38 117.35 124.16 3dxe s TYR 546 Ca 0.25 -0.05 -0.21 0.00 -1.01 0.00 0.00 57.07 56.05 3dxe s TYR 546 Cb 0.00 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3dxe s TYR 546 CO 0.18 0.08 0.66 -0.47 -1.11 0.00 0.00 175.55 174.89 3dxe s TYR 547 N 0.42 3.29 -0.76 2.71 5.04 0.10 -0.86 117.35 127.30 3dxe s TYR 547 Ca 0.01 0.88 0.25 0.00 -2.44 0.00 0.00 57.07 55.77 3dxe s TYR 547 Cb -0.13 -2.87 0.49 0.00 0.35 0.00 0.00 41.96 39.80 3dxe s TYR 547 CO 0.01 -0.33 1.43 1.28 -1.34 0.00 0.00 175.55 176.60 3dxe n LEU 548 N 5.71 0.61 0.00 6.97 4.77 0.12 -2.74 117.00 132.44 3dxe n LEU 548 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3dxe n LEU 548 Cb 0.49 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3dxe n LEU 548 CO 0.44 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3dxe n GLY 549 N 1.38 -0.90 3.11 -0.72 0.00 -1.22 -4.93 105.19 101.91 3dxe n GLY 549 Ca 0.04 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.82 1.20 0.03 1.61 2.20 -1.26 -1.39 114.94 114.51 3dxe s ASN 550 Ca 0.00 -0.57 -0.01 0.00 -0.94 0.00 0.00 52.86 51.34 3dxe s ASN 550 Cb 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 41.25 39.23 3dxe s ASN 550 CO 0.00 -0.14 -0.01 0.68 -2.94 0.00 0.00 177.10 174.68 3dxe s VAL 551 N -1.30 0.13 0.43 3.54 -7.23 -0.57 -4.95 120.40 110.46 3dxe s VAL 551 Ca -0.06 -1.06 -0.25 0.00 -1.81 0.00 0.00 61.98 58.80 3dxe s VAL 551 Cb -0.10 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.24 3dxe s VAL 551 CO 0.01 -0.58 1.26 -2.16 -0.31 0.00 0.00 175.10 173.32 3dxe s PRO 552 N -1.94 3.83 0.18 4.82 0.04 -1.26 0.82 135.00 141.49 3dxe s PRO 552 Ca -0.11 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.01 3dxe s PRO 552 Cb -0.06 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 3dxe s PRO 552 CO -0.03 -0.57 -0.05 0.14 0.04 0.00 0.00 177.00 176.53 3dxe s VAL 553 N -1.35 1.08 -0.22 -0.36 -7.23 -0.59 -4.80 120.40 106.94 3dxe s VAL 553 Ca 0.60 -2.05 0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3dxe s VAL 553 Cb -0.35 -2.07 0.07 0.00 0.56 0.00 0.00 36.38 34.58 3dxe s VAL 553 CO 0.44 -0.56 1.27 0.00 -0.31 0.00 0.00 175.10 175.95 3dxe h ALA 554 N 2.65 0.71 -2.89 1.32 0.00 -1.97 -3.35 119.26 115.73 3dxe h ALA 554 Ca -0.37 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 53.87 3dxe h ALA 554 Cb 1.20 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.84 3dxe h ALA 554 CO 0.64 0.45 -0.73 0.15 0.00 0.00 0.00 179.25 179.76 3dxe s LYS 555 N -3.07 0.72 0.49 0.00 1.02 -1.26 -4.94 119.74 112.70 3dxe s LYS 555 Ca 0.02 -1.01 0.30 0.00 0.02 0.00 0.00 55.97 55.30 3dxe s LYS 555 Cb 0.08 -0.42 1.11 0.00 -0.52 0.00 0.00 37.83 38.08 3dxe s LYS 555 CO 0.75 0.07 1.88 -1.00 -0.92 0.00 0.00 175.35 176.13 3dxe h PRO 556 N 3.90 0.00 -4.22 -1.68 0.13 -1.97 -3.47 132.00 124.69 3dxe h PRO 556 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 3dxe h PRO 556 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3dxe h PRO 556 CO 0.49 0.00 -0.66 0.14 -0.23 0.00 0.00 178.00 177.73 3dxe s VAL 557 N -3.53 0.22 0.00 1.56 -7.23 -1.26 -3.92 120.40 106.23 3dxe s VAL 557 Ca 0.03 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 3dxe s VAL 557 Cb 0.08 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3dxe s VAL 557 CO 0.56 -0.98 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 3dxe n GLY 558 N 0.10 4.11 0.23 2.32 0.00 -1.26 -4.73 105.19 105.97 3dxe n GLY 558 Ca -0.14 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 0.98 -0.69 1.61 -1.51 -1.99 -2.51 116.25 112.14 3dxe h VAL 559 Ca 0.00 -0.63 -0.05 0.00 -1.23 0.00 0.00 66.70 64.79 3dxe h VAL 559 Cb 0.00 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 30.49 3dxe h VAL 559 CO 0.00 0.17 0.23 -2.24 -1.23 0.00 0.00 177.57 174.50 3dxe h ASP 560 N 0.00 0.98 0.15 4.19 2.03 -1.99 -1.42 116.42 120.36 3dxe h ASP 560 Ca -0.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 57.03 56.09 3dxe h ASP 560 Cb 0.34 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 3dxe h ASP 560 CO 0.02 0.92 -0.07 0.58 -1.03 0.00 0.00 179.24 179.66 3dxe h VAL 561 N 0.99 0.91 -0.44 4.15 2.07 -1.75 -1.41 116.25 120.77 3dxe h VAL 561 Ca 0.22 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3dxe h VAL 561 Cb 0.27 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3dxe h VAL 561 CO -0.01 0.06 -0.15 0.16 0.02 0.00 0.00 177.57 177.65 3dxe h ILE 562 N -0.31 1.26 -0.01 4.57 -0.00 -1.44 -1.94 117.51 119.64 3dxe h ILE 562 Ca -0.02 -1.24 -0.08 0.00 -0.00 0.00 0.00 64.86 63.52 3dxe h ILE 562 Cb 0.24 1.08 -0.01 0.00 -0.00 0.00 0.00 36.82 38.13 3dxe h ILE 562 CO 0.03 0.42 -0.35 0.78 -0.00 0.00 0.00 178.15 179.03 3dxe h ASN 563 N 0.73 0.02 -0.32 2.16 2.35 -1.22 -0.56 115.58 118.73 3dxe h ASN 563 Ca 0.12 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3dxe h ASN 563 Cb 0.65 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3dxe h ASN 563 CO 0.05 0.37 -0.18 1.23 -1.65 0.00 0.00 177.43 177.25 3dxe h GLY 564 N 1.07 0.76 0.96 2.83 0.00 -1.03 -1.80 103.07 105.86 3dxe h GLY 564 Ca -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 3dxe h GLY 564 CO 0.05 0.63 0.16 0.00 0.00 0.00 0.00 176.54 177.38 3dxe h ALA 565 N 0.76 0.36 -0.17 3.60 0.00 -1.12 -2.29 119.26 120.40 3dxe h ALA 565 Ca 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dxe h ALA 565 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3dxe h ALA 565 CO 0.05 -0.12 0.01 -0.07 0.00 0.00 0.00 179.25 179.12 3dxe h LEU 566 N 0.34 -0.04 -0.50 0.00 3.38 -1.05 -1.76 115.31 115.69 3dxe h LEU 566 Ca 0.10 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3dxe h LEU 566 Cb 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3dxe h LEU 566 CO -0.02 0.00 0.32 -0.33 0.09 0.00 0.00 178.44 178.51 3dxe h GLU 567 N 0.07 0.64 0.52 1.13 5.08 -1.26 -0.24 114.58 120.51 3dxe h GLU 567 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3dxe h GLU 567 Cb 0.09 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3dxe h GLU 567 CO -0.12 0.42 -0.32 0.77 -1.00 0.00 0.00 179.01 178.76 3dxe h SER 568 N 0.66 -0.79 -0.66 1.42 0.02 -1.22 -1.14 113.55 111.83 3dxe h SER 568 Ca 0.19 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3dxe h SER 568 Cb -0.06 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3dxe h SER 568 CO -0.05 -0.50 0.38 1.62 -1.14 0.00 0.00 176.83 177.14 3dxe h VAL 569 N -0.79 1.00 -0.06 2.27 3.04 -1.25 -2.61 116.25 117.85 3dxe h VAL 569 Ca -0.06 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 65.32 3dxe h VAL 569 Cb 0.64 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 3dxe h VAL 569 CO 0.06 0.13 -0.27 -0.07 -1.01 0.00 0.00 177.57 176.42 3dxe h LEU 570 N 0.71 0.10 -0.74 3.16 3.38 -0.90 -2.48 115.31 118.54 3dxe h LEU 570 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dxe h LEU 570 Cb 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dxe h LEU 570 CO -0.16 0.37 0.00 0.77 0.09 0.00 0.00 178.44 179.51 3dxe h SER 571 N 0.09 0.00 -0.12 -0.43 4.64 -0.83 -3.29 113.55 113.62 3dxe h SER 571 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dxe h SER 571 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dxe h SER 571 CO 0.04 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 3dxe n SER 572 N -2.81 2.72 -3.96 4.97 3.41 -0.95 -5.01 113.62 111.98 3dxe n SER 572 Ca 0.02 -2.59 -0.09 0.00 -0.26 0.00 0.00 58.87 55.96 3dxe n SER 572 Cb 0.37 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.82 0.25 0.17 4.04 1.04 -1.08 -5.06 113.70 111.24 3dxe s SER 573 Ca 0.24 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 56.12 3dxe s SER 573 Cb 0.19 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3dxe s SER 573 CO 0.06 -0.53 -0.15 -0.94 0.98 0.00 0.00 173.24 172.66 3dxe s SER 574 N -2.31 3.97 0.63 7.02 1.04 -1.26 -4.88 113.70 117.91 3dxe s SER 574 Ca -0.02 -0.65 0.30 0.00 0.48 0.00 0.00 55.95 56.06 3dxe s SER 574 Cb 0.01 -0.57 1.60 0.00 0.10 0.00 0.00 66.02 67.16 3dxe s SER 574 CO -0.06 0.12 1.95 0.03 0.98 0.00 0.00 173.24 176.26 3dxe h ARG 575 N 3.16 0.00 0.00 4.02 3.08 -1.98 0.24 114.38 122.90 3dxe h ARG 575 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3dxe h ARG 575 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3dxe h ARG 575 CO 0.51 0.00 -0.27 0.93 -1.07 0.00 0.00 179.97 180.07 3dxe h GLU 576 N 0.00 0.00 0.00 0.04 5.08 -2.06 -3.10 114.58 114.54 3dxe h GLU 576 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dxe h GLU 576 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3dxe h GLU 576 CO -0.00 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.97 3dxe h GLN 577 N 0.00 0.00 -6.99 2.33 4.20 -0.92 -3.47 115.11 110.27 3dxe h GLN 577 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3dxe h GLN 577 Cb 0.85 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.71 3dxe h GLN 577 CO 0.00 0.00 0.56 -1.58 -0.67 0.00 0.00 178.83 177.14 3dxe s TRP 578 N -3.35 2.73 -0.45 2.96 0.51 -1.17 -4.97 118.94 115.20 3dxe s TRP 578 Ca 0.05 1.46 -0.17 0.00 -2.12 0.00 0.00 56.10 55.32 3dxe s TRP 578 Cb 0.07 -3.58 0.04 0.00 -0.81 0.00 0.00 33.47 29.19 3dxe s TRP 578 CO 0.61 -2.02 0.43 0.99 -0.51 0.00 0.00 176.95 176.45 3dxe s THR 579 N -1.38 5.12 0.27 2.01 2.01 -1.11 -4.94 115.64 117.63 3dxe s THR 579 Ca 0.63 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3dxe s THR 579 Cb -0.35 -4.09 -0.11 0.00 0.01 0.00 0.00 72.50 67.96 3dxe s THR 579 CO 0.43 -0.52 1.53 -2.16 -0.69 0.00 0.00 174.62 173.21 3dxe s PRO 580 N 1.99 4.18 0.30 4.92 0.04 -1.26 -0.72 135.00 144.45 3dxe s PRO 580 Ca 0.09 2.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 3dxe s PRO 580 Cb -0.20 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.34 3dxe s PRO 580 CO 0.11 -0.55 0.89 -1.54 0.04 0.00 0.00 177.00 175.95 3dxe s SER 581 N 0.47 -0.01 0.03 6.66 1.04 0.49 -1.94 113.70 120.43 3dxe s SER 581 Ca 0.62 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3dxe s SER 581 Cb -0.45 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 3dxe s SER 581 CO 0.45 -1.39 -0.03 -1.38 0.98 0.00 0.00 173.24 171.87 3dxe s HIS 582 N -2.33 0.31 -0.21 5.02 -3.43 0.23 0.03 115.29 114.90 3dxe s HIS 582 Ca 0.18 -0.63 -0.05 0.00 -0.80 0.00 0.00 55.06 53.76 3dxe s HIS 582 Cb -0.04 -0.23 -0.02 0.00 -1.43 0.00 0.00 32.58 30.86 3dxe s HIS 582 CO 0.09 -0.22 0.00 0.08 -2.00 0.00 0.00 174.74 172.68 3dxe s VAL 583 N -1.90 3.91 -0.25 -5.38 1.01 0.06 0.17 120.40 118.01 3dxe s VAL 583 Ca -0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3dxe s VAL 583 Cb -0.07 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3dxe s VAL 583 CO -0.03 0.42 0.27 -0.55 0.00 0.00 0.00 175.10 175.21 3dxe s SER 584 N 1.11 6.19 -0.37 3.32 0.15 0.15 -1.83 113.70 122.41 3dxe s SER 584 Ca 0.02 0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.75 3dxe s SER 584 Cb -0.14 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 3dxe s SER 584 CO 0.01 -0.06 0.24 -0.69 1.20 0.00 0.00 173.24 173.94 3dxe s VAL 585 N 1.56 4.96 0.39 4.45 1.01 -1.26 -1.60 120.40 129.90 3dxe s VAL 585 Ca 0.11 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3dxe s VAL 585 Cb -0.15 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3dxe s VAL 585 CO 0.08 -0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.06 3dxe s ALA 586 N 1.64 3.31 0.28 5.51 0.00 -0.53 0.11 121.76 132.08 3dxe s ALA 586 Ca 0.04 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 49.90 3dxe s ALA 586 Cb -0.18 -0.20 0.64 0.00 0.00 0.00 0.00 23.12 23.37 3dxe s ALA 586 CO 0.09 -0.07 1.73 -1.00 0.00 0.00 0.00 175.76 176.50 3dxe h PRO 587 N 1.68 0.48 0.00 0.00 0.13 -1.92 -3.27 132.00 129.09 3dxe h PRO 587 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3dxe h PRO 587 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dxe h PRO 587 CO 0.72 0.32 -1.09 0.00 -0.23 0.00 0.00 178.00 177.72 3dxe n ALA 588 N -2.47 2.74 -2.86 -0.56 0.00 -1.26 -4.75 120.51 111.35 3dxe n ALA 588 Ca 0.20 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 3dxe n ALA 588 Cb 0.55 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 3dxe n ALA 588 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dxe s THR 589 N -2.43 0.12 -0.15 0.00 -4.23 -1.23 -0.87 115.64 106.85 3dxe s THR 589 Ca -0.01 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3dxe s THR 589 Cb 0.07 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 3dxe s THR 589 CO 0.42 -0.54 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.17 3dxe s LEU 590 N -1.76 3.32 -0.09 4.79 1.43 0.39 -1.46 118.68 125.31 3dxe s LEU 590 Ca -0.10 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3dxe s LEU 590 Cb -0.05 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3dxe s LEU 590 CO -0.02 0.19 -0.24 -0.89 0.23 0.00 0.00 176.35 175.62 3dxe s THR 591 N 0.24 2.08 -0.28 5.49 2.01 -0.63 -0.55 115.64 124.00 3dxe s THR 591 Ca -0.02 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 3dxe s THR 591 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 3dxe s THR 591 CO 0.03 0.56 0.15 -0.63 -0.69 0.00 0.00 174.62 174.04 3dxe s ILE 592 N 0.22 4.89 -0.02 1.82 1.01 0.81 0.33 121.20 130.25 3dxe s ILE 592 Ca -0.15 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.53 3dxe s ILE 592 Cb -0.17 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3dxe s ILE 592 CO 0.08 0.24 -0.22 -0.76 0.00 0.00 0.00 174.94 174.28 3dxe s LEU 593 N 1.69 2.04 0.69 2.97 1.43 0.13 0.15 118.68 127.77 3dxe s LEU 593 Ca 0.06 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 3dxe s LEU 593 Cb -0.16 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.91 3dxe s LEU 593 CO 0.08 0.27 1.13 1.57 0.23 0.00 0.00 176.35 179.63 3dxe n HIS 594 N 2.58 1.28 -0.21 0.29 -0.00 0.19 0.74 115.22 120.09 3dxe n HIS 594 Ca -0.16 0.41 -0.08 0.00 0.46 0.00 0.00 57.72 58.36 3dxe n HIS 594 Cb 0.52 -2.17 0.03 0.00 -0.12 0.00 0.00 29.99 28.25 3dxe n HIS 594 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3dxe h GLN 595 N 0.05 0.88 0.00 1.57 4.15 -1.69 -0.15 115.11 119.93 3dxe h GLN 595 Ca -0.49 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 58.66 3dxe h GLN 595 Cb 1.34 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 3dxe h GLN 595 CO 0.50 0.77 -1.36 0.94 -1.93 0.00 0.00 178.83 177.75 3dxe n GLN 596 N -4.46 0.14 0.06 1.69 -0.06 -1.26 -4.63 117.38 108.87 3dxe n GLN 596 Ca 0.03 0.05 0.14 0.00 -2.00 0.00 0.00 57.00 55.22 3dxe n GLN 596 Cb 0.18 -0.89 0.63 0.00 -4.06 0.00 0.00 30.24 26.10 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 -0.14 0.86 -0.87 1.69 1.35 -1.99 -3.46 112.91 110.35 3dxe h THR 597 Ca -0.15 -0.04 -0.37 0.00 -0.55 0.00 0.00 66.41 65.30 3dxe h THR 597 Cb 1.17 0.75 -0.15 0.00 -1.73 0.00 0.00 68.15 68.19 3dxe h THR 597 CO -0.07 0.02 -0.34 -0.62 -0.25 0.00 0.00 175.52 174.26 3dxe n GLU 598 N -4.45 -1.42 -1.62 4.72 1.02 -0.07 -4.98 120.64 113.85 3dxe n GLU 598 Ca 0.06 1.14 -0.41 0.00 -0.02 0.00 0.00 57.16 57.93 3dxe n GLU 598 Cb 0.38 -5.49 0.02 0.00 -0.02 0.00 0.00 31.44 26.32 3dxe n GLU 598 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxe n ALA 599 N 1.34 0.26 -2.62 0.62 0.00 -1.26 -4.59 120.51 114.26 3dxe n ALA 599 Ca -0.18 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 3dxe n ALA 599 Cb 0.64 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 3dxe n ALA 599 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dxe s VAL 600 N -1.30 4.48 -0.41 0.00 1.01 -1.26 0.54 120.40 123.45 3dxe s VAL 600 Ca 0.64 1.70 0.22 0.00 0.00 0.00 0.00 61.98 64.55 3dxe s VAL 600 Cb -0.54 -4.40 -0.19 0.00 0.00 0.00 0.00 36.38 31.25 3dxe s VAL 600 CO 0.56 -0.48 0.82 0.18 0.00 0.00 0.00 175.10 176.18 3dxe n LEU 601 N 6.92 0.48 -3.59 3.92 4.77 0.38 -4.93 117.00 124.96 3dxe n LEU 601 Ca 0.12 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3dxe n LEU 601 Cb 0.47 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3dxe n LEU 601 CO 0.59 0.03 0.94 -0.83 -1.33 0.00 0.00 177.39 176.79 3dxe s GLY 602 N -3.96 -0.19 0.00 -0.72 0.00 -1.02 -4.96 107.32 96.48 3dxe s GLY 602 Ca -0.00 2.07 0.00 0.00 0.00 0.00 0.00 44.72 46.79 3dxe s GLY 602 CO 0.85 0.87 -0.01 1.85 0.00 0.00 0.00 173.10 176.66 3dxe s GLU 603 N -1.58 0.08 -0.08 2.90 2.12 -1.26 -0.14 118.70 120.75 3dxe s GLU 603 Ca 0.05 -0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.25 3dxe s GLU 603 Cb -0.01 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.39 3dxe s GLU 603 CO -0.04 0.01 0.16 0.00 -0.54 0.00 0.00 175.26 174.85 3dxe s ARG 605 N 1.85 4.60 0.28 0.00 0.52 -1.26 -0.46 118.95 124.47 3dxe s ARG 605 Ca -0.02 1.64 0.01 0.00 -0.52 0.00 0.00 55.73 56.84 3dxe s ARG 605 Cb -0.12 -3.32 0.53 0.00 0.52 0.00 0.00 34.95 32.56 3dxe s ARG 605 CO -0.06 0.06 1.84 0.28 0.02 0.00 0.00 175.30 177.44 3dxe h VAL 606 N 3.98 0.94 0.00 3.52 2.07 -1.34 -1.32 116.25 124.10 3dxe h VAL 606 Ca -0.43 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dxe h VAL 606 Cb 1.21 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3dxe h VAL 606 CO 0.74 0.19 -0.01 0.08 0.02 0.00 0.00 177.57 178.59 3dxe h ARG 607 N 1.02 0.00 -0.45 1.57 0.11 -1.93 -1.56 114.38 113.15 3dxe h ARG 607 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 3dxe h ARG 607 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3dxe h ARG 607 CO -0.25 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.01 3dxe n PHE 608 N -3.14 0.59 -2.78 4.08 3.72 -0.51 -4.86 117.46 114.55 3dxe n PHE 608 Ca -0.02 -0.35 -0.43 0.00 -0.05 0.00 0.00 57.45 56.60 3dxe n PHE 608 Cb 0.13 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.20 3.95 0.04 4.37 0.20 -0.59 -0.57 118.68 124.88 3dxe s LEU 609 Ca 0.36 0.07 0.10 0.00 0.69 0.00 0.00 54.13 55.36 3dxe s LEU 609 Cb 0.20 -3.17 -0.21 0.00 -0.43 0.00 0.00 46.19 42.58 3dxe s LEU 609 CO 0.28 -1.13 0.95 0.77 -0.29 0.00 0.00 176.35 176.92 3dxe h SER 610 N 9.17 0.00 -4.86 3.68 4.64 -1.40 -3.49 113.55 121.29 3dxe h SER 610 Ca -0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 3dxe h SER 610 Cb 1.07 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.97 3dxe h SER 610 CO 1.06 0.98 0.16 0.12 -0.87 0.00 0.00 176.83 178.27 3dxe s PHE 611 N -2.66 -0.65 0.11 4.77 5.36 -1.19 -4.89 117.98 118.82 3dxe s PHE 611 Ca -0.02 1.19 -0.03 0.00 -0.96 0.00 0.00 56.93 57.11 3dxe s PHE 611 Cb 0.09 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 43.11 3dxe s PHE 611 CO 0.82 -0.57 0.09 -0.48 -1.46 0.00 0.00 175.22 173.62 3dxe s LEU 612 N -0.98 1.81 -0.03 6.12 0.05 -1.26 -0.28 118.68 124.10 3dxe s LEU 612 Ca -0.10 -1.02 -0.30 0.00 0.05 0.00 0.00 54.13 52.76 3dxe s LEU 612 Cb -0.01 0.51 0.11 0.00 -2.05 0.00 0.00 46.19 44.75 3dxe s LEU 612 CO 0.08 -0.72 1.00 0.00 -0.55 0.00 0.00 176.35 176.17 3dxe s ALA 613 N -3.97 -1.89 -0.07 1.48 0.00 -0.65 -5.01 121.76 111.65 3dxe s ALA 613 Ca 0.15 1.00 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 3dxe s ALA 613 Cb 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3dxe s ALA 613 CO -0.04 -0.74 0.15 0.08 0.00 0.00 0.00 175.76 175.21 3dxe s VAL 614 N -2.93 5.38 0.95 0.00 1.01 -1.26 -2.01 120.40 121.55 3dxe s VAL 614 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 3dxe s VAL 614 Cb -0.01 -3.41 0.19 0.00 0.00 0.00 0.00 36.38 33.16 3dxe s VAL 614 CO -0.06 0.49 1.31 -0.83 0.00 0.00 0.00 175.10 176.01 3dxe s GLY 615 N -1.41 1.77 0.39 4.51 0.00 -0.87 -4.95 107.32 106.76 3dxe s GLY 615 Ca 0.20 -1.16 0.08 0.00 0.00 0.00 0.00 44.72 43.84 3dxe s GLY 615 CO 0.10 -0.41 1.97 3.21 0.00 0.00 0.00 173.10 177.97 3dxe h ARG 616 N -1.62 0.38 -6.06 2.90 2.47 -1.96 -3.36 114.38 107.14 3dxe h ARG 616 Ca -0.45 -0.06 -0.57 0.00 -1.26 0.00 0.00 59.98 57.64 3dxe h ARG 616 Cb 1.24 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.44 3dxe h ARG 616 CO 0.40 0.38 0.48 0.34 0.56 0.00 0.00 179.97 182.13 3dxe s ASP 617 N -6.80 7.06 0.27 7.04 -1.08 -1.26 -4.95 116.67 116.95 3dxe s ASP 617 Ca -0.07 1.31 0.22 0.00 -0.52 0.00 0.00 52.55 53.48 3dxe s ASP 617 Cb 0.16 -2.49 1.01 0.00 -1.46 0.00 0.00 42.92 40.14 3dxe s ASP 617 CO 0.73 -0.44 1.66 1.33 0.52 0.00 0.00 175.17 178.97 3dxe n VAL 618 N 4.72 0.96 0.23 1.11 0.24 -1.26 -1.06 118.33 123.27 3dxe n VAL 618 Ca 0.06 0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.92 3dxe n VAL 618 Cb 0.48 -1.40 0.37 0.00 -1.47 0.00 0.00 33.84 31.82 3dxe n VAL 618 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3dxe h HIS 619 N 0.00 0.00 -3.24 6.34 3.86 -1.86 0.09 115.15 120.34 3dxe h HIS 619 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3dxe h HIS 619 Cb 0.20 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 3dxe h HIS 619 CO 0.00 0.13 -0.04 0.95 0.86 0.00 0.00 177.93 179.83 3dxe s THR 620 N -3.41 4.78 0.01 2.45 -4.23 -0.22 -0.06 115.64 114.95 3dxe s THR 620 Ca 0.03 1.21 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 3dxe s THR 620 Cb 0.08 -3.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3dxe s THR 620 CO 0.64 0.53 -0.13 0.12 -0.54 0.00 0.00 174.62 175.24 3dxe s PHE 621 N -0.96 1.12 0.03 3.99 5.36 -0.59 -2.06 117.98 124.87 3dxe s PHE 621 Ca 0.29 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 3dxe s PHE 621 Cb -0.19 -0.69 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3dxe s PHE 621 CO 0.18 0.00 -0.04 0.00 -1.46 0.00 0.00 175.22 173.91 3dxe s ALA 622 N -0.55 0.22 0.08 11.12 0.00 -0.85 -0.93 121.76 130.85 3dxe s ALA 622 Ca 0.03 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3dxe s ALA 622 Cb -0.06 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3dxe s ALA 622 CO 0.00 -0.14 -0.10 -0.59 0.00 0.00 0.00 175.76 174.93 3dxe s PHE 623 N -1.50 0.99 -0.15 0.00 -0.12 -0.67 -1.64 117.98 114.90 3dxe s PHE 623 Ca -0.14 -0.57 -0.04 0.00 -0.05 0.00 0.00 56.93 56.13 3dxe s PHE 623 Cb -0.10 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 3dxe s PHE 623 CO -0.01 -0.01 -0.01 0.42 -0.05 0.00 0.00 175.22 175.56 3dxe s ILE 624 N -1.89 4.17 -0.03 -4.49 1.01 0.61 -1.01 121.20 119.57 3dxe s ILE 624 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3dxe s ILE 624 Cb -0.06 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3dxe s ILE 624 CO 0.01 0.51 -0.04 -0.04 0.00 0.00 0.00 174.94 175.37 3dxe s MET 625 N 0.09 2.73 -0.63 2.79 -1.94 0.40 -1.14 119.30 121.60 3dxe s MET 625 Ca 0.01 -0.59 -0.27 0.00 -1.71 0.00 0.00 55.69 53.13 3dxe s MET 625 Cb -0.13 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.13 3dxe s MET 625 CO 0.02 0.64 1.17 0.00 -0.01 0.00 0.00 175.02 176.85 3dxe s ALA 626 N -0.94 2.95 0.35 3.03 0.00 0.27 -1.08 121.76 126.34 3dxe s ALA 626 Ca 0.15 -1.10 0.14 0.00 0.00 0.00 0.00 51.96 51.15 3dxe s ALA 626 Cb -0.11 -4.05 0.73 0.00 0.00 0.00 0.00 23.12 19.69 3dxe s ALA 626 CO 0.05 -2.82 1.82 0.00 0.00 0.00 0.00 175.76 174.81 3dxe h ALA 627 N 9.66 1.31 -3.19 0.00 0.00 -0.83 -3.46 119.26 122.76 3dxe h ALA 627 Ca -0.26 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 3dxe h ALA 627 Cb 1.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3dxe h ALA 627 CO 1.20 0.47 0.03 0.41 0.00 0.00 0.00 179.25 181.36 3dxe n GLY 628 N -0.37 1.90 0.31 0.00 0.00 -1.14 -5.01 105.19 100.88 3dxe n GLY 628 Ca -0.02 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.72 3dxe n GLY 628 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxe h PRO 629 N 0.00 0.48 -0.60 1.61 0.11 -2.02 -2.89 132.00 128.69 3dxe h PRO 629 Ca -0.21 -0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.44 3dxe h PRO 629 Cb 0.85 -0.11 -0.38 0.00 0.11 0.00 0.00 31.00 31.47 3dxe h PRO 629 CO 0.28 0.32 -0.85 0.00 -0.21 0.00 0.00 178.00 177.54 3dxe n ALA 630 N -2.47 4.38 -3.63 -0.75 0.00 -1.26 -5.03 120.51 111.75 3dxe n ALA 630 Ca 0.19 -3.52 -0.18 0.00 0.00 0.00 0.00 53.44 49.93 3dxe n ALA 630 Cb 0.54 -0.44 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.56 1.09 -0.03 0.00 0.15 -1.09 -5.09 113.70 105.17 3dxe s SER 631 Ca 0.45 0.09 0.06 0.00 0.70 0.00 0.00 55.95 57.25 3dxe s SER 631 Cb 0.39 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3dxe s SER 631 CO 0.01 -0.27 -0.20 -0.36 1.20 0.00 0.00 173.24 173.62 3dxe s PHE 632 N 2.27 2.53 -0.05 3.44 0.08 -1.26 -0.11 117.98 124.89 3dxe s PHE 632 Ca 0.04 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.83 3dxe s PHE 632 Cb -0.13 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3dxe s PHE 632 CO -0.07 0.10 -0.12 0.00 -0.10 0.00 0.00 175.22 175.02 3dxe s HIS 635 N 1.43 3.53 0.04 0.00 3.76 -0.18 -1.51 115.29 122.36 3dxe s HIS 635 Ca 0.05 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.50 3dxe s HIS 635 Cb -0.15 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 3dxe s HIS 635 CO 0.00 0.53 -0.11 -1.64 -0.85 0.00 0.00 174.74 172.66 3dxe s MET 636 N -0.41 0.76 -0.00 1.40 -1.94 -0.48 -1.66 119.30 116.97 3dxe s MET 636 Ca 0.13 -0.71 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3dxe s MET 636 Cb -0.12 -0.71 -0.00 0.00 2.01 0.00 0.00 34.83 36.01 3dxe s MET 636 CO 0.03 0.17 0.11 -0.06 -0.01 0.00 0.00 175.02 175.25 3dxe s PHE 637 N -0.93 0.06 -0.16 -0.03 0.40 -0.10 -0.70 117.98 116.51 3dxe s PHE 637 Ca -0.02 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3dxe s PHE 637 Cb -0.08 -0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 3dxe s PHE 637 CO 0.01 -0.24 -0.09 -0.46 0.70 0.00 0.00 175.22 175.14 3dxe s TRP 638 N -1.21 2.90 -0.06 0.36 -0.11 -0.04 -1.54 118.94 119.24 3dxe s TRP 638 Ca -0.13 -0.69 0.05 0.00 1.22 0.00 0.00 56.10 56.55 3dxe s TRP 638 Cb -0.07 -1.95 -0.01 0.00 -1.50 0.00 0.00 33.47 29.95 3dxe s TRP 638 CO 0.01 -0.29 -0.22 0.00 -4.62 0.00 0.00 176.95 171.82 3dxe s GLU 640 N 0.00 2.78 0.36 0.00 0.41 -1.26 -3.20 118.70 117.80 3dxe s GLU 640 Ca -0.07 -0.79 0.19 0.00 -0.41 0.00 0.00 54.97 53.90 3dxe s GLU 640 Cb -0.14 -2.35 0.45 0.00 -1.78 0.00 0.00 34.13 30.31 3dxe s GLU 640 CO 0.04 0.40 1.62 -1.00 -0.49 0.00 0.00 175.26 175.83 3dxe h PRO 641 N 6.06 0.00 0.00 0.39 0.13 -1.99 -3.48 132.00 133.11 3dxe h PRO 641 Ca -0.34 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 3dxe h PRO 641 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3dxe h PRO 641 CO 0.50 0.34 0.13 0.27 -0.23 0.00 0.00 178.00 179.01 3dxe n ASN 642 N -3.29 -1.48 -0.37 1.44 0.23 -1.19 -4.76 115.26 105.84 3dxe n ASN 642 Ca 0.01 -2.17 0.08 0.00 -0.53 0.00 0.00 54.58 51.97 3dxe n ASN 642 Cb 0.59 2.51 0.31 0.00 -2.08 0.00 0.00 39.78 41.11 3dxe n ASN 642 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxe n ALA 643 N -1.30 2.52 0.12 -2.53 0.00 0.02 -4.55 120.51 114.79 3dxe n ALA 643 Ca -0.11 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 3dxe n ALA 643 Cb 0.42 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 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 3.69 -0.24 -0.33 0.00 0.00 -1.95 -1.65 119.26 118.79 3dxe h ALA 644 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3dxe h ALA 644 Cb 0.30 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3dxe h ALA 644 CO 0.00 -0.59 -0.17 0.66 0.00 0.00 0.00 179.25 179.15 3dxe h SER 645 N -0.31 0.59 -0.10 0.00 4.64 -2.00 -1.72 113.55 114.65 3dxe h SER 645 Ca -0.02 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 3dxe h SER 645 Cb 0.24 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dxe h SER 645 CO 0.04 0.78 -0.08 0.25 -0.87 0.00 0.00 176.83 176.95 3dxe h LEU 646 N 0.54 0.24 -1.07 5.97 5.85 -1.85 -2.54 115.31 122.45 3dxe h LEU 646 Ca 0.09 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3dxe h LEU 646 Cb 0.60 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3dxe h LEU 646 CO 0.04 0.65 0.53 0.77 -0.34 0.00 0.00 178.44 180.09 3dxe h SER 647 N -0.18 1.02 -0.55 1.25 4.64 -1.16 -1.42 113.55 117.16 3dxe h SER 647 Ca 0.02 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dxe h SER 647 Cb 0.58 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3dxe h SER 647 CO 0.02 0.78 0.35 -0.33 -0.87 0.00 0.00 176.83 176.78 3dxe h GLU 648 N 1.18 0.73 -0.46 4.77 5.08 -1.27 0.42 114.58 125.04 3dxe h GLU 648 Ca 0.31 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3dxe h GLU 648 Cb -0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3dxe h GLU 648 CO -0.06 0.51 0.05 0.00 -1.00 0.00 0.00 179.01 178.51 3dxe h ALA 649 N 1.18 0.61 -0.21 3.43 0.00 -0.99 1.00 119.26 124.28 3dxe h ALA 649 Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dxe h ALA 649 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dxe h ALA 649 CO -0.04 0.36 -0.08 0.28 0.00 0.00 0.00 179.25 179.77 3dxe h VAL 650 N 0.63 1.30 -0.74 0.00 2.07 -1.21 -1.73 116.25 116.58 3dxe h VAL 650 Ca 0.14 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3dxe h VAL 650 Cb 0.42 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3dxe h VAL 650 CO 0.01 0.34 0.45 -0.61 0.02 0.00 0.00 177.57 177.79 3dxe h GLN 651 N 0.14 0.84 -0.73 1.57 4.15 -0.82 -2.15 115.11 118.11 3dxe h GLN 651 Ca 0.05 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3dxe h GLN 651 Cb 0.56 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 3dxe h GLN 651 CO 0.03 0.55 0.44 0.00 -1.93 0.00 0.00 178.83 177.92 3dxe h ALA 652 N 1.34 0.93 -0.51 3.38 0.00 -0.74 -2.22 119.26 121.44 3dxe h ALA 652 Ca 0.31 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3dxe h ALA 652 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3dxe h ALA 652 CO -0.14 0.40 0.26 0.00 0.00 0.00 0.00 179.25 179.78 3dxe h ALA 653 N 1.23 0.65 -0.74 0.00 0.00 -1.04 -1.42 119.26 117.94 3dxe h ALA 653 Ca 0.26 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3dxe h ALA 653 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3dxe h ALA 653 CO -0.05 -0.08 0.47 0.00 0.00 0.00 0.00 179.25 179.59 3dxe h MET 655 N 0.91 0.69 -0.39 0.00 2.86 -1.17 -1.79 114.93 116.04 3dxe h MET 655 Ca 0.30 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3dxe h MET 655 Cb 0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3dxe h MET 655 CO -0.11 0.96 0.15 -0.07 1.06 0.00 0.00 176.91 178.90 3dxe h LEU 656 N 0.44 0.55 -0.64 1.22 3.38 -1.21 -2.92 115.31 116.12 3dxe h LEU 656 Ca 0.05 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dxe h LEU 656 Cb 0.82 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3dxe h LEU 656 CO 0.07 0.58 0.41 -0.09 0.09 0.00 0.00 178.44 179.49 3dxe h ARG 657 N 0.48 0.80 -0.23 1.13 9.65 -1.20 -0.61 114.38 124.40 3dxe h ARG 657 Ca 0.13 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3dxe h ARG 657 Cb 0.21 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3dxe h ARG 657 CO -0.01 0.53 0.14 -0.92 2.80 0.00 0.00 179.97 182.51 3dxe h TYR 658 N 0.82 0.27 -0.13 2.20 3.20 -1.31 -0.87 116.97 121.14 3dxe h TYR 658 Ca 0.24 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3dxe h TYR 658 Cb -0.04 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3dxe h TYR 658 CO -0.04 0.17 0.07 0.37 -1.64 0.00 0.00 178.16 177.09 3dxe h GLN 659 N 0.29 0.15 -0.91 1.82 5.75 -1.32 -1.05 115.11 119.84 3dxe h GLN 659 Ca 0.09 -0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.70 3dxe h GLN 659 Cb -0.02 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.41 3dxe h GLN 659 CO -0.03 0.10 0.53 0.87 -2.65 0.00 0.00 178.83 177.65 3dxe h LYS 660 N 0.15 0.81 -0.41 1.69 1.57 -0.98 -1.21 116.57 118.20 3dxe h LYS 660 Ca 0.05 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3dxe h LYS 660 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3dxe h LYS 660 CO -0.03 0.54 -0.02 0.00 -0.57 0.00 0.00 179.45 179.37 3dxe h LEU 662 N 0.55 1.09 -0.15 0.00 3.38 -0.89 -2.54 115.31 116.76 3dxe h LEU 662 Ca 0.11 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3dxe h LEU 662 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dxe h LEU 662 CO 0.02 0.84 -0.14 0.44 0.09 0.00 0.00 178.44 179.69 3dxe h ASP 663 N 1.25 0.38 -0.87 -0.43 3.32 -1.17 0.97 116.42 119.88 3dxe h ASP 663 Ca 0.33 -0.47 0.15 0.00 0.02 0.00 0.00 57.03 57.05 3dxe h ASP 663 Cb -0.05 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.30 3dxe h ASP 663 CO -0.06 0.78 0.46 0.00 -1.72 0.00 0.00 179.24 178.70 3dxe h ALA 664 N 0.62 1.33 -0.02 3.45 0.00 -1.17 -2.48 119.26 120.98 3dxe h ALA 664 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3dxe h ALA 664 Cb 0.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3dxe h ALA 664 CO 0.04 -0.07 -0.65 -0.09 0.00 0.00 0.00 179.25 178.47 3dxe h ARG 665 N 0.65 0.48 0.00 0.00 2.43 -1.35 -3.51 114.38 113.08 3dxe h ARG 665 Ca 0.48 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3dxe h ARG 665 Cb 0.67 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3dxe h ARG 665 CO -0.36 1.13 0.00 -1.13 -1.51 0.00 0.00 179.97 178.10