#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxc s GLU 538 N 0.00 2.52 -0.01 1.20 -1.05 -1.26 -4.21 118.70 115.89 3dxc s GLU 538 Ca 0.00 2.01 -0.01 0.00 -0.15 0.00 0.00 54.97 56.82 3dxc s GLU 538 Cb 0.00 -1.85 -0.27 0.00 -0.44 0.00 0.00 34.13 31.58 3dxc s GLU 538 CO 0.00 -1.60 0.79 -0.07 0.95 0.00 0.00 175.26 175.33 3dxc h LEU 539 N 0.46 0.32 -8.14 1.83 3.38 -0.23 -3.47 115.31 109.46 3dxc h LEU 539 Ca -0.50 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 56.86 3dxc h LEU 539 Cb 1.33 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 3dxc h LEU 539 CO 0.53 1.41 -0.62 0.68 0.09 0.00 0.00 178.44 180.53 3dxc s VAL 540 N -2.61 0.20 0.52 1.22 -7.23 -1.24 -5.10 120.40 106.16 3dxc s VAL 540 Ca -0.09 -1.63 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 3dxc s VAL 540 Cb 0.07 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.56 3dxc s VAL 540 CO 0.84 -0.90 1.39 -1.10 -0.31 0.00 0.00 175.10 175.02 3dxc s GLN 541 N -3.73 3.27 0.54 4.82 -0.21 -1.26 -4.40 119.66 118.69 3dxc s GLN 541 Ca 0.05 2.32 -0.21 0.00 0.02 0.00 0.00 55.36 57.54 3dxc s GLN 541 Cb 0.06 -2.37 -0.06 0.00 1.00 0.00 0.00 33.01 31.64 3dxc s GLN 541 CO -0.09 -1.12 1.16 1.63 -2.12 0.00 0.00 175.29 174.75 3dxc n LYS 542 N -0.81 1.36 -3.42 2.91 5.02 -1.26 -4.91 118.16 117.05 3dxc n LYS 542 Ca 0.09 0.51 -0.38 0.00 -2.02 0.00 0.00 58.31 56.51 3dxc n LYS 542 Cb 0.44 -2.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.03 3dxc n LYS 542 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3dxc s PHE 543 N -1.36 3.39 -0.63 2.13 0.08 -1.06 -4.80 117.98 115.72 3dxc s PHE 543 Ca 0.71 0.60 -0.21 0.00 0.12 0.00 0.00 56.93 58.15 3dxc s PHE 543 Cb -0.44 -2.49 0.08 0.00 -0.57 0.00 0.00 43.02 39.60 3dxc s PHE 543 CO 0.50 0.03 0.88 -0.65 -0.10 0.00 0.00 175.22 175.88 3dxc s GLN 544 N 1.16 3.09 0.33 0.44 -1.52 -1.26 -1.50 119.66 120.40 3dxc s GLN 544 Ca 0.18 -0.98 0.07 0.00 -1.95 0.00 0.00 55.36 52.68 3dxc s GLN 544 Cb -0.14 -4.24 -0.03 0.00 -0.22 0.00 0.00 33.01 28.38 3dxc s GLN 544 CO 0.07 -1.72 0.26 0.14 -0.25 0.00 0.00 175.29 173.79 3dxc s VAL 545 N 3.62 0.05 -0.19 1.09 -7.23 0.97 -4.75 120.40 113.96 3dxc s VAL 545 Ca 0.19 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 3dxc s VAL 545 Cb -0.19 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3dxc s VAL 545 CO 0.09 0.00 0.07 -0.31 -0.31 0.00 0.00 175.10 174.64 3dxc s TYR 546 N -3.45 3.22 -0.28 2.82 1.51 0.07 -0.61 117.35 120.62 3dxc s TYR 546 Ca 0.39 0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 56.22 3dxc s TYR 546 Cb 0.03 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 3dxc s TYR 546 CO 0.26 0.07 0.76 -0.47 -1.11 0.00 0.00 175.55 175.06 3dxc s TYR 547 N 0.58 3.24 -0.77 2.71 5.04 0.44 -0.45 117.35 128.14 3dxc s TYR 547 Ca 0.03 0.88 0.24 0.00 -2.44 0.00 0.00 57.07 55.78 3dxc s TYR 547 Cb -0.13 -3.10 0.34 0.00 0.35 0.00 0.00 41.96 39.42 3dxc s TYR 547 CO 0.01 -0.48 1.29 1.28 -1.34 0.00 0.00 175.55 176.32 3dxc n LEU 548 N 6.05 0.61 0.00 6.97 4.77 0.02 -2.84 117.00 132.59 3dxc n LEU 548 Ca 0.03 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3dxc n LEU 548 Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3dxc n LEU 548 CO 0.48 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3dxc n GLY 549 N 1.40 -0.44 2.98 -0.72 0.00 -1.22 -4.93 105.19 102.27 3dxc n GLY 549 Ca 0.04 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 3dxc n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxc s ASN 550 N -4.00 0.26 0.02 1.61 2.20 -1.26 -0.95 114.94 112.82 3dxc s ASN 550 Ca 0.00 -0.51 -0.00 0.00 -0.94 0.00 0.00 52.86 51.41 3dxc s ASN 550 Cb 0.00 0.10 -0.02 0.00 -2.00 0.00 0.00 41.25 39.33 3dxc s ASN 550 CO 0.00 -0.30 -0.02 0.68 -2.94 0.00 0.00 177.10 174.52 3dxc s VAL 551 N -1.47 0.10 0.52 3.54 -7.23 -0.76 -4.95 120.40 110.14 3dxc s VAL 551 Ca -0.16 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.00 3dxc s VAL 551 Cb -0.10 -0.24 -0.06 0.00 0.56 0.00 0.00 36.38 36.54 3dxc s VAL 551 CO -0.01 -0.44 1.19 -2.16 -0.31 0.00 0.00 175.10 173.37 3dxc s PRO 552 N -1.30 3.42 0.15 4.82 0.04 -1.26 0.31 135.00 141.18 3dxc s PRO 552 Ca -0.14 1.81 0.02 0.00 0.04 0.00 0.00 61.00 62.73 3dxc s PRO 552 Cb -0.09 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3dxc s PRO 552 CO -0.01 -0.84 -0.02 0.14 0.04 0.00 0.00 177.00 176.31 3dxc s VAL 553 N -1.57 0.71 -0.23 -0.36 -7.23 -0.24 -4.79 120.40 106.69 3dxc s VAL 553 Ca 0.70 -1.97 0.19 0.00 -1.81 0.00 0.00 61.98 59.08 3dxc s VAL 553 Cb -0.30 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 34.72 3dxc s VAL 553 CO 0.34 -0.59 1.27 0.00 -0.31 0.00 0.00 175.10 175.81 3dxc h ALA 554 N 2.77 0.71 -3.02 1.32 0.00 -1.97 -3.34 119.26 115.72 3dxc h ALA 554 Ca -0.36 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 53.88 3dxc h ALA 554 Cb 1.19 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 3dxc h ALA 554 CO 0.63 0.43 -0.74 0.15 0.00 0.00 0.00 179.25 179.72 3dxc s LYS 555 N -3.08 0.70 0.50 0.00 1.02 -1.26 -4.93 119.74 112.68 3dxc s LYS 555 Ca 0.02 -0.96 0.30 0.00 0.02 0.00 0.00 55.97 55.36 3dxc s LYS 555 Cb 0.08 -0.46 1.09 0.00 -0.52 0.00 0.00 37.83 38.02 3dxc s LYS 555 CO 0.75 0.08 1.88 -1.00 -0.92 0.00 0.00 175.35 176.14 3dxc h PRO 556 N 4.07 0.00 -4.12 -1.68 0.13 -1.97 -3.47 132.00 124.97 3dxc h PRO 556 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 3dxc h PRO 556 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3dxc h PRO 556 CO 0.46 0.00 -0.62 0.14 -0.23 0.00 0.00 178.00 177.75 3dxc s VAL 557 N -3.52 0.19 0.00 1.56 -7.23 -1.26 -3.85 120.40 106.29 3dxc s VAL 557 Ca 0.03 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3dxc s VAL 557 Cb 0.08 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.65 3dxc s VAL 557 CO 0.56 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 3dxc n GLY 558 N 0.21 4.15 0.24 2.32 0.00 -1.26 -4.72 105.19 106.13 3dxc n GLY 558 Ca -0.15 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 44.94 3dxc n GLY 558 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dxc h VAL 559 N 0.00 1.15 -0.78 1.61 -1.51 -1.99 -2.27 116.25 112.47 3dxc h VAL 559 Ca 0.00 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 3dxc h VAL 559 Cb 0.00 1.18 -0.04 0.00 -2.13 0.00 0.00 31.29 30.31 3dxc h VAL 559 CO 0.00 0.20 0.44 -2.24 -1.23 0.00 0.00 177.57 174.74 3dxc h ASP 560 N 0.17 0.95 -0.06 4.19 2.03 -1.98 -0.52 116.42 121.19 3dxc h ASP 560 Ca 0.04 -0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 56.26 3dxc h ASP 560 Cb 0.30 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3dxc h ASP 560 CO 0.02 0.75 0.02 0.58 -1.03 0.00 0.00 179.24 179.57 3dxc h VAL 561 N 1.08 1.19 -0.10 4.15 2.07 -1.70 -1.47 116.25 121.47 3dxc h VAL 561 Ca 0.28 -0.59 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 3dxc h VAL 561 Cb 0.00 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3dxc h VAL 561 CO -0.05 0.16 -0.60 0.16 0.02 0.00 0.00 177.57 177.27 3dxc h ILE 562 N -0.11 1.37 -0.05 4.57 -0.00 -1.38 -2.09 117.51 119.81 3dxc h ILE 562 Ca 0.02 -1.94 -0.13 0.00 -0.00 0.00 0.00 64.86 62.81 3dxc h ILE 562 Cb 0.25 1.95 -0.01 0.00 -0.00 0.00 0.00 36.82 39.00 3dxc h ILE 562 CO 0.00 0.58 -0.57 0.78 -0.00 0.00 0.00 178.15 178.94 3dxc h ASN 563 N 0.25 0.19 -0.42 2.16 2.35 -1.09 -0.65 115.58 118.37 3dxc h ASN 563 Ca -0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3dxc h ASN 563 Cb 1.12 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3dxc h ASN 563 CO 0.10 0.72 0.17 1.23 -1.65 0.00 0.00 177.43 178.00 3dxc h GLY 564 N 1.51 0.67 0.96 2.83 0.00 -1.12 -1.68 103.07 106.24 3dxc h GLY 564 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3dxc h GLY 564 CO 0.08 0.34 0.18 0.00 0.00 0.00 0.00 176.54 177.15 3dxc h ALA 565 N 1.02 0.42 0.15 3.60 0.00 -1.18 -2.17 119.26 121.08 3dxc h ALA 565 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dxc h ALA 565 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dxc h ALA 565 CO -0.01 -0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.03 3dxc h LEU 566 N 0.41 -0.17 -0.71 0.00 3.38 -1.07 -1.76 115.31 115.39 3dxc h LEU 566 Ca 0.12 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3dxc h LEU 566 Cb 0.05 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3dxc h LEU 566 CO -0.02 -0.11 0.37 -0.33 0.09 0.00 0.00 178.44 178.44 3dxc h GLU 567 N -0.21 0.63 0.23 1.13 5.08 -1.29 -0.33 114.58 119.81 3dxc h GLU 567 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dxc h GLU 567 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dxc h GLU 567 CO 0.03 0.42 -0.13 0.77 -1.00 0.00 0.00 179.01 179.10 3dxc h SER 568 N 0.65 -0.31 -0.54 1.42 0.02 -1.18 -1.84 113.55 111.76 3dxc h SER 568 Ca 0.34 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3dxc h SER 568 Cb 0.31 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3dxc h SER 568 CO -0.24 -0.21 0.02 1.62 -1.14 0.00 0.00 176.83 176.88 3dxc h VAL 569 N -0.34 1.26 -0.17 2.27 3.04 -1.13 -2.91 116.25 118.27 3dxc h VAL 569 Ca -0.03 -1.08 -0.06 0.00 -1.01 0.00 0.00 66.70 64.52 3dxc h VAL 569 Cb 0.27 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 3dxc h VAL 569 CO 0.04 0.39 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.73 3dxc h LEU 570 N 0.90 0.27 -0.66 3.16 3.38 -1.01 -2.62 115.31 118.73 3dxc h LEU 570 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dxc h LEU 570 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dxc h LEU 570 CO 0.02 0.48 0.00 0.77 0.09 0.00 0.00 178.44 179.80 3dxc h SER 571 N 0.26 0.00 -0.17 -0.43 4.64 -1.14 -3.27 113.55 113.45 3dxc h SER 571 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dxc h SER 571 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3dxc h SER 571 CO 0.03 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 3dxc n SER 572 N -2.79 3.14 -3.76 4.97 3.41 -1.00 -5.00 113.62 112.58 3dxc n SER 572 Ca 0.03 -2.84 -0.10 0.00 -0.26 0.00 0.00 58.87 55.70 3dxc n SER 572 Cb 0.37 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3dxc n SER 572 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dxc s SER 573 N -2.05 -0.05 0.24 4.04 1.04 -1.14 -5.06 113.70 110.73 3dxc s SER 573 Ca 0.33 -0.52 0.11 0.00 0.48 0.00 0.00 55.95 56.35 3dxc s SER 573 Cb 0.27 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.75 3dxc s SER 573 CO 0.07 -0.80 -0.19 -0.94 0.98 0.00 0.00 173.24 172.36 3dxc s SER 574 N -2.84 3.22 0.55 7.02 1.04 -1.26 -4.87 113.70 116.55 3dxc s SER 574 Ca 0.05 -0.98 0.29 0.00 0.48 0.00 0.00 55.95 55.78 3dxc s SER 574 Cb 0.03 -0.24 1.45 0.00 0.10 0.00 0.00 66.02 67.37 3dxc s SER 574 CO -0.11 -0.01 1.94 0.03 0.98 0.00 0.00 173.24 176.07 3dxc h ARG 575 N 2.59 0.00 0.00 4.02 3.08 -1.98 0.14 114.38 122.23 3dxc h ARG 575 Ca -0.41 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.58 3dxc h ARG 575 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3dxc h ARG 575 CO 0.58 0.00 -0.31 0.93 -1.07 0.00 0.00 179.97 180.10 3dxc h GLU 576 N 0.00 0.00 0.00 0.04 5.08 -2.06 -2.73 114.58 114.92 3dxc h GLU 576 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3dxc h GLU 576 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3dxc h GLU 576 CO -0.00 0.31 -0.00 1.96 -1.00 0.00 0.00 179.01 180.27 3dxc h GLN 577 N 0.00 0.00 -6.93 2.33 4.20 -1.12 -3.47 115.11 110.12 3dxc h GLN 577 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3dxc h GLN 577 Cb 0.95 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.81 3dxc h GLN 577 CO 0.04 0.00 0.63 -1.58 -0.67 0.00 0.00 178.83 177.25 3dxc s TRP 578 N -3.48 2.87 -0.39 2.96 0.51 -1.03 -4.97 118.94 115.41 3dxc s TRP 578 Ca 0.04 1.40 -0.17 0.00 -2.12 0.00 0.00 56.10 55.25 3dxc s TRP 578 Cb 0.07 -3.68 0.01 0.00 -0.81 0.00 0.00 33.47 29.06 3dxc s TRP 578 CO 0.60 -2.05 0.45 0.99 -0.51 0.00 0.00 176.95 176.42 3dxc s THR 579 N -1.22 5.07 0.39 2.01 2.01 -1.13 -4.95 115.64 117.82 3dxc s THR 579 Ca 0.54 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 3dxc s THR 579 Cb -0.39 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 3dxc s THR 579 CO 0.50 -0.32 1.25 -2.16 -0.69 0.00 0.00 174.62 173.21 3dxc s PRO 580 N 2.21 4.06 0.17 4.92 0.04 -1.26 -0.42 135.00 144.71 3dxc s PRO 580 Ca 0.14 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.97 3dxc s PRO 580 Cb -0.16 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.66 3dxc s PRO 580 CO 0.13 -0.38 0.88 -1.54 0.04 0.00 0.00 177.00 176.14 3dxc s SER 581 N -0.85 -0.23 0.06 6.66 1.04 0.22 -1.39 113.70 119.20 3dxc s SER 581 Ca 0.56 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.64 3dxc s SER 581 Cb -0.35 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3dxc s SER 581 CO 0.45 -0.98 -0.15 -1.38 0.98 0.00 0.00 173.24 172.16 3dxc s HIS 582 N -3.44 1.30 -0.28 5.02 -3.43 0.13 -0.02 115.29 114.58 3dxc s HIS 582 Ca 0.11 -0.41 -0.07 0.00 -0.80 0.00 0.00 55.06 53.89 3dxc s HIS 582 Cb -0.02 -0.75 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 3dxc s HIS 582 CO 0.02 0.06 0.08 0.08 -2.00 0.00 0.00 174.74 172.98 3dxc s VAL 583 N -1.06 4.03 -0.19 -5.38 1.01 -0.56 -0.69 120.40 117.55 3dxc s VAL 583 Ca 0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 3dxc s VAL 583 Cb -0.09 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3dxc s VAL 583 CO 0.02 0.14 0.66 -0.55 0.00 0.00 0.00 175.10 175.37 3dxc s SER 584 N 1.53 6.73 -0.38 3.32 0.15 0.15 -2.56 113.70 122.63 3dxc s SER 584 Ca 0.04 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.46 3dxc s SER 584 Cb -0.17 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 3dxc s SER 584 CO 0.03 -0.29 0.21 -0.69 1.20 0.00 0.00 173.24 173.70 3dxc s VAL 585 N 1.92 4.56 0.39 4.45 1.01 -1.26 -0.90 120.40 130.57 3dxc s VAL 585 Ca 0.30 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3dxc s VAL 585 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3dxc s VAL 585 CO 0.11 -0.26 0.21 0.00 0.00 0.00 0.00 175.10 175.16 3dxc s ALA 586 N 1.55 3.65 0.29 5.51 0.00 -0.23 0.54 121.76 133.08 3dxc s ALA 586 Ca 0.02 -1.98 0.04 0.00 0.00 0.00 0.00 51.96 50.04 3dxc s ALA 586 Cb -0.19 -0.62 0.75 0.00 0.00 0.00 0.00 23.12 23.05 3dxc s ALA 586 CO 0.06 -0.12 1.69 -1.35 0.00 0.00 0.00 175.76 176.05 3dxc h PRO 587 N 1.38 0.35 0.00 0.00 0.10 -1.93 -3.25 132.00 128.66 3dxc h PRO 587 Ca -0.43 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.65 3dxc h PRO 587 Cb 1.26 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.28 3dxc h PRO 587 CO 0.65 0.23 -0.68 0.00 0.10 0.00 0.00 178.00 178.30 3dxc n ALA 588 N -2.52 2.57 -2.73 -0.75 0.00 -1.26 -4.69 120.51 111.13 3dxc n ALA 588 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 3dxc n ALA 588 Cb 0.68 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 3dxc n ALA 588 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dxc s THR 589 N -1.92 0.14 -0.13 0.00 -4.23 -1.23 -1.28 115.64 106.99 3dxc s THR 589 Ca 0.00 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3dxc s THR 589 Cb 0.04 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 3dxc s THR 589 CO 0.26 -0.62 -0.03 -0.76 -0.54 0.00 0.00 174.62 172.93 3dxc s LEU 590 N -1.99 3.31 -0.11 4.79 1.43 0.11 -1.06 118.68 125.15 3dxc s LEU 590 Ca -0.07 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3dxc s LEU 590 Cb -0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3dxc s LEU 590 CO -0.04 0.23 -0.23 -0.89 0.23 0.00 0.00 176.35 175.65 3dxc s THR 591 N 0.02 2.03 -0.25 5.49 2.01 -0.08 -0.27 115.64 124.60 3dxc s THR 591 Ca 0.01 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3dxc s THR 591 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3dxc s THR 591 CO 0.03 0.55 0.13 -0.63 -0.69 0.00 0.00 174.62 174.00 3dxc s ILE 592 N 0.47 4.93 0.01 1.82 1.01 0.83 0.30 121.20 130.56 3dxc s ILE 592 Ca -0.16 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3dxc s ILE 592 Cb -0.17 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 3dxc s ILE 592 CO 0.06 0.33 -0.17 -0.76 0.00 0.00 0.00 174.94 174.40 3dxc s LEU 593 N 1.36 2.09 0.48 2.97 1.43 0.13 0.12 118.68 127.27 3dxc s LEU 593 Ca 0.06 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 3dxc s LEU 593 Cb -0.15 -0.82 -0.08 0.00 0.03 0.00 0.00 46.19 45.17 3dxc s LEU 593 CO 0.06 0.16 1.05 1.57 0.23 0.00 0.00 176.35 179.42 3dxc n HIS 594 N 2.34 1.27 -0.26 0.29 -0.00 0.36 0.22 115.22 119.43 3dxc n HIS 594 Ca -0.16 0.50 0.04 0.00 0.46 0.00 0.00 57.72 58.56 3dxc n HIS 594 Cb 0.54 -2.23 0.13 0.00 -0.12 0.00 0.00 29.99 28.31 3dxc n HIS 594 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3dxc h GLN 595 N 1.30 0.04 0.00 1.57 4.15 -1.52 -1.70 115.11 118.94 3dxc h GLN 595 Ca -0.47 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3dxc h GLN 595 Cb 1.34 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.02 3dxc h GLN 595 CO 0.55 0.03 -0.01 0.00 -1.93 0.00 0.00 178.83 177.47 3dxc n GLN 596 N -5.44 1.16 0.27 1.69 10.64 -1.26 -4.67 117.38 119.77 3dxc n GLN 596 Ca 0.12 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.40 3dxc n GLN 596 Cb 0.44 -0.10 0.72 0.00 -0.86 0.00 0.00 30.24 30.44 3dxc n GLN 596 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 3dxc h THR 597 N 0.00 0.81 -1.29 -0.39 1.35 -1.98 -3.46 112.91 107.94 3dxc h THR 597 Ca 0.00 -0.19 -0.43 0.00 -0.55 0.00 0.00 66.41 65.24 3dxc h THR 597 Cb 0.00 1.11 -0.15 0.00 -1.73 0.00 0.00 68.15 67.38 3dxc h THR 597 CO 0.00 0.05 -0.41 -0.62 -0.25 0.00 0.00 175.52 174.29 3dxc n GLU 598 N -4.14 -1.49 -1.83 4.72 1.02 -0.64 -4.98 120.64 113.30 3dxc n GLU 598 Ca -0.03 1.20 -0.38 0.00 -0.02 0.00 0.00 57.16 57.94 3dxc n GLU 598 Cb 0.14 -5.63 0.05 0.00 -0.02 0.00 0.00 31.44 25.97 3dxc n GLU 598 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxc s ALA 599 N -2.82 2.65 -0.30 0.62 0.00 -1.26 -4.65 121.76 116.00 3dxc s ALA 599 Ca 0.00 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.96 3dxc s ALA 599 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3dxc s ALA 599 CO 0.00 -1.38 0.78 0.08 0.00 0.00 0.00 175.76 175.24 3dxc s VAL 600 N -1.38 4.81 -0.12 0.00 1.01 -1.26 -0.49 120.40 122.98 3dxc s VAL 600 Ca 0.76 1.21 0.20 0.00 0.00 0.00 0.00 61.98 64.15 3dxc s VAL 600 Cb -0.38 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 3dxc s VAL 600 CO 0.42 -0.21 0.53 0.18 0.00 0.00 0.00 175.10 176.03 3dxc n LEU 601 N 6.14 0.30 -3.57 3.92 4.77 0.34 -4.96 117.00 123.93 3dxc n LEU 601 Ca 0.03 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 3dxc n LEU 601 Cb 0.48 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3dxc n LEU 601 CO 0.49 0.12 0.83 -0.83 -1.33 0.00 0.00 177.39 176.67 3dxc s GLY 602 N -4.79 -0.26 -0.01 -0.72 0.00 -0.96 -4.96 107.32 95.64 3dxc s GLY 602 Ca -0.06 1.92 0.01 0.00 0.00 0.00 0.00 44.72 46.59 3dxc s GLY 602 CO 0.85 0.89 -0.02 1.85 0.00 0.00 0.00 173.10 176.67 3dxc s GLU 603 N -1.53 0.23 -0.07 2.90 2.12 -1.26 -0.12 118.70 120.98 3dxc s GLU 603 Ca 0.02 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.25 3dxc s GLU 603 Cb -0.01 -0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.17 3dxc s GLU 603 CO -0.02 0.03 0.13 0.00 -0.54 0.00 0.00 175.26 174.87 3dxc s ARG 605 N 1.79 4.40 0.28 0.00 0.52 -1.26 0.06 118.95 124.74 3dxc s ARG 605 Ca -0.02 1.69 0.02 0.00 -0.52 0.00 0.00 55.73 56.90 3dxc s ARG 605 Cb -0.12 -3.47 0.62 0.00 0.52 0.00 0.00 34.95 32.50 3dxc s ARG 605 CO -0.05 -0.34 1.78 0.28 0.02 0.00 0.00 175.30 176.98 3dxc h VAL 606 N 4.81 0.74 0.00 3.52 2.07 -1.53 -0.43 116.25 125.43 3dxc h VAL 606 Ca -0.38 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3dxc h VAL 606 Cb 1.19 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3dxc h VAL 606 CO 0.84 0.13 -0.00 0.08 0.02 0.00 0.00 177.57 178.65 3dxc h ARG 607 N 0.73 0.00 -0.33 1.57 0.11 -1.93 -1.82 114.38 112.71 3dxc h ARG 607 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 3dxc h ARG 607 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3dxc h ARG 607 CO -0.36 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.90 3dxc n PHE 608 N -3.41 0.43 -2.68 4.08 3.72 -0.19 -4.85 117.46 114.57 3dxc n PHE 608 Ca -0.03 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.66 3dxc n PHE 608 Cb 0.08 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3dxc n PHE 608 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dxc s LEU 609 N -1.22 3.82 0.01 4.37 0.20 -0.69 0.17 118.68 125.34 3dxc s LEU 609 Ca 0.31 0.60 0.09 0.00 0.69 0.00 0.00 54.13 55.82 3dxc s LEU 609 Cb 0.18 -3.45 -0.23 0.00 -0.43 0.00 0.00 46.19 42.26 3dxc s LEU 609 CO 0.25 -1.06 0.85 0.77 -0.29 0.00 0.00 176.35 176.87 3dxc h SER 610 N 8.77 0.04 -4.83 3.68 4.64 -1.22 -3.48 113.55 121.15 3dxc h SER 610 Ca -0.22 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3dxc h SER 610 Cb 1.07 -0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 62.95 3dxc h SER 610 CO 1.06 1.05 0.10 0.12 -0.87 0.00 0.00 176.83 178.30 3dxc s PHE 611 N -2.63 -0.60 0.05 4.77 5.36 -1.20 -4.88 117.98 118.85 3dxc s PHE 611 Ca -0.04 1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 3dxc s PHE 611 Cb 0.08 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 3dxc s PHE 611 CO 0.82 -0.54 0.02 -0.48 -1.46 0.00 0.00 175.22 173.59 3dxc s LEU 612 N -0.96 2.21 0.08 6.12 0.05 -1.26 -0.31 118.68 124.61 3dxc s LEU 612 Ca -0.10 -0.84 -0.26 0.00 0.05 0.00 0.00 54.13 52.99 3dxc s LEU 612 Cb -0.01 0.38 0.08 0.00 -2.05 0.00 0.00 46.19 44.59 3dxc s LEU 612 CO 0.08 -0.58 0.80 0.00 -0.55 0.00 0.00 176.35 176.09 3dxc s ALA 613 N -3.51 -1.69 -0.05 1.48 0.00 -0.41 -5.00 121.76 112.57 3dxc s ALA 613 Ca 0.03 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 3dxc s ALA 613 Cb 0.05 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 3dxc s ALA 613 CO -0.09 -0.78 0.27 0.08 0.00 0.00 0.00 175.76 175.24 3dxc s VAL 614 N -3.39 5.28 0.97 0.00 1.01 -1.26 -1.81 120.40 121.20 3dxc s VAL 614 Ca 0.05 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3dxc s VAL 614 Cb -0.01 -3.55 0.20 0.00 0.00 0.00 0.00 36.38 33.02 3dxc s VAL 614 CO -0.08 0.54 1.31 -0.83 0.00 0.00 0.00 175.10 176.05 3dxc s GLY 615 N -1.20 1.77 0.38 4.51 0.00 -0.48 -4.95 107.32 107.35 3dxc s GLY 615 Ca 0.21 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.81 3dxc s GLY 615 CO 0.10 -0.41 1.98 3.21 0.00 0.00 0.00 173.10 177.98 3dxc h ARG 616 N -1.66 0.51 -6.00 2.90 2.47 -1.96 -3.35 114.38 107.29 3dxc h ARG 616 Ca -0.44 -0.06 -0.58 0.00 -1.26 0.00 0.00 59.98 57.63 3dxc h ARG 616 Cb 1.24 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 29.40 3dxc h ARG 616 CO 0.39 0.43 0.49 0.34 0.56 0.00 0.00 179.97 182.17 3dxc s ASP 617 N -6.72 7.01 0.39 7.04 -1.08 -1.26 -4.94 116.67 117.10 3dxc s ASP 617 Ca -0.08 1.25 0.27 0.00 -0.52 0.00 0.00 52.55 53.47 3dxc s ASP 617 Cb 0.16 -2.48 1.36 0.00 -1.46 0.00 0.00 42.92 40.50 3dxc s ASP 617 CO 0.74 -0.46 1.83 1.62 0.52 0.00 0.00 175.17 179.42 3dxc h VAL 618 N 5.24 0.00 0.00 1.11 3.04 -1.97 -0.43 116.25 123.23 3dxc h VAL 618 Ca -0.27 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3dxc h VAL 618 Cb 1.12 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3dxc h VAL 618 CO 0.86 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 177.87 3dxc h HIS 619 N 0.00 0.00 -3.11 3.17 3.86 -1.85 -1.58 115.15 115.64 3dxc h HIS 619 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 3dxc h HIS 619 Cb 0.14 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 3dxc h HIS 619 CO 0.00 0.00 -0.22 0.95 0.86 0.00 0.00 177.93 179.52 3dxc s THR 620 N -3.36 5.13 -0.01 2.45 -4.23 -0.17 0.25 115.64 115.71 3dxc s THR 620 Ca 0.05 0.78 0.06 0.00 -1.18 0.00 0.00 61.69 61.41 3dxc s THR 620 Cb 0.07 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 3dxc s THR 620 CO 0.61 0.50 -0.20 0.12 -0.54 0.00 0.00 174.62 175.11 3dxc s PHE 621 N -0.46 1.79 0.01 3.99 5.36 -0.44 -1.38 117.98 126.86 3dxc s PHE 621 Ca 0.22 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 3dxc s PHE 621 Cb -0.15 -1.14 -0.01 0.00 -0.34 0.00 0.00 43.02 41.37 3dxc s PHE 621 CO 0.11 -0.01 -0.00 0.00 -1.46 0.00 0.00 175.22 173.85 3dxc s ALA 622 N -0.51 0.04 0.06 11.12 0.00 -0.75 -0.39 121.76 131.33 3dxc s ALA 622 Ca 0.08 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3dxc s ALA 622 Cb -0.08 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3dxc s ALA 622 CO -0.00 -0.15 -0.11 -0.59 0.00 0.00 0.00 175.76 174.90 3dxc s PHE 623 N -1.30 0.97 -0.17 0.00 -0.12 -0.74 -1.29 117.98 115.33 3dxc s PHE 623 Ca -0.14 -0.49 -0.06 0.00 -0.05 0.00 0.00 56.93 56.18 3dxc s PHE 623 Cb -0.09 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 3dxc s PHE 623 CO -0.01 -0.01 0.05 0.42 -0.05 0.00 0.00 175.22 175.63 3dxc s ILE 624 N -1.39 4.70 -0.10 -4.49 1.01 0.57 -0.95 121.20 120.55 3dxc s ILE 624 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 3dxc s ILE 624 Cb -0.10 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3dxc s ILE 624 CO 0.01 0.49 0.02 -0.04 0.00 0.00 0.00 174.94 175.42 3dxc s MET 625 N 0.16 3.11 -0.93 2.79 -1.94 0.38 -0.78 119.30 122.09 3dxc s MET 625 Ca 0.04 -0.37 -0.23 0.00 -1.71 0.00 0.00 55.69 53.42 3dxc s MET 625 Cb -0.12 -2.87 0.06 0.00 2.01 0.00 0.00 34.83 33.91 3dxc s MET 625 CO 0.01 0.68 1.34 0.00 -0.01 0.00 0.00 175.02 177.04 3dxc s ALA 626 N -0.81 2.85 0.35 3.03 0.00 0.13 -1.27 121.76 126.03 3dxc s ALA 626 Ca 0.13 -2.16 0.02 0.00 0.00 0.00 0.00 51.96 49.94 3dxc s ALA 626 Cb -0.12 -4.36 0.64 0.00 0.00 0.00 0.00 23.12 19.28 3dxc s ALA 626 CO 0.02 -3.41 2.00 0.00 0.00 0.00 0.00 175.76 174.38 3dxc h ALA 627 N 9.67 1.56 -2.94 0.00 0.00 -0.99 -3.45 119.26 123.10 3dxc h ALA 627 Ca 0.08 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.56 3dxc h ALA 627 Cb 1.02 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 3dxc h ALA 627 CO 1.34 0.40 -0.31 0.20 0.00 0.00 0.00 179.25 180.87 3dxc s GLY 628 N -3.47 1.97 0.35 0.00 0.00 -1.06 -4.99 107.32 100.12 3dxc s GLY 628 Ca -0.10 -1.82 0.12 0.00 0.00 0.00 0.00 44.72 42.91 3dxc s GLY 628 CO 0.77 -1.23 1.77 -2.55 0.00 0.00 0.00 173.10 171.86 3dxc h PRO 629 N 2.08 0.55 -0.25 2.90 0.11 -2.02 -2.78 132.00 132.59 3dxc h PRO 629 Ca -0.26 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.60 3dxc h PRO 629 Cb 1.23 -0.12 -0.26 0.00 0.11 0.00 0.00 31.00 31.96 3dxc h PRO 629 CO 0.37 0.37 -0.80 0.00 -0.21 0.00 0.00 178.00 177.72 3dxc n ALA 630 N -2.39 3.52 -3.72 -0.75 0.00 -1.26 -5.03 120.51 110.89 3dxc n ALA 630 Ca 0.24 -3.12 -0.21 0.00 0.00 0.00 0.00 53.44 50.35 3dxc n ALA 630 Cb 0.72 -0.52 -0.18 0.00 0.00 0.00 0.00 19.45 19.48 3dxc n ALA 630 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxc s SER 631 N -3.13 1.36 -0.04 0.00 0.15 -1.05 -5.10 113.70 105.89 3dxc s SER 631 Ca 0.39 -0.00 0.06 0.00 0.70 0.00 0.00 55.95 57.09 3dxc s SER 631 Cb 0.38 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 3dxc s SER 631 CO -0.06 -0.22 -0.21 -0.36 1.20 0.00 0.00 173.24 173.59 3dxc s PHE 632 N 2.06 2.51 -0.06 3.44 0.08 -1.25 -0.36 117.98 124.40 3dxc s PHE 632 Ca 0.05 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 56.78 3dxc s PHE 632 Cb -0.12 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3dxc s PHE 632 CO -0.04 0.04 -0.14 0.00 -0.10 0.00 0.00 175.22 174.97 3dxc s HIS 635 N 1.63 3.47 0.05 0.00 3.76 -0.13 -1.83 115.29 122.25 3dxc s HIS 635 Ca 0.06 0.51 0.06 0.00 -0.15 0.00 0.00 55.06 55.53 3dxc s HIS 635 Cb -0.16 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.29 3dxc s HIS 635 CO 0.06 0.34 -0.16 -1.64 -0.85 0.00 0.00 174.74 172.48 3dxc s MET 636 N 0.16 1.04 0.02 1.40 -1.94 -0.13 -1.79 119.30 118.06 3dxc s MET 636 Ca 0.13 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 3dxc s MET 636 Cb -0.12 -1.10 -0.02 0.00 2.01 0.00 0.00 34.83 35.61 3dxc s MET 636 CO 0.02 0.27 -0.01 -0.06 -0.01 0.00 0.00 175.02 175.23 3dxc s PHE 637 N -0.91 0.23 -0.19 -0.03 0.40 0.48 -0.80 117.98 117.15 3dxc s PHE 637 Ca 0.03 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 3dxc s PHE 637 Cb -0.08 -0.17 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 3dxc s PHE 637 CO 0.02 -0.20 -0.04 -0.46 0.70 0.00 0.00 175.22 175.24 3dxc s TRP 638 N -1.42 2.98 -0.05 0.36 -0.11 0.40 -1.33 118.94 119.77 3dxc s TRP 638 Ca -0.16 -0.64 0.06 0.00 1.22 0.00 0.00 56.10 56.58 3dxc s TRP 638 Cb -0.09 -2.05 -0.01 0.00 -1.50 0.00 0.00 33.47 29.82 3dxc s TRP 638 CO -0.01 -0.33 -0.25 0.00 -4.62 0.00 0.00 176.95 171.74 3dxc s GLU 640 N -0.23 2.99 0.44 0.00 0.41 -1.26 -2.90 118.70 118.16 3dxc s GLU 640 Ca -0.02 -0.77 0.24 0.00 -0.41 0.00 0.00 54.97 54.02 3dxc s GLU 640 Cb -0.13 -2.43 0.51 0.00 -1.78 0.00 0.00 34.13 30.30 3dxc s GLU 640 CO 0.03 0.32 1.67 -1.00 -0.49 0.00 0.00 175.26 175.78 3dxc h PRO 641 N 6.33 0.00 0.00 0.39 0.13 -1.99 -3.49 132.00 133.37 3dxc h PRO 641 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 3dxc h PRO 641 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dxc h PRO 641 CO 0.51 0.07 0.21 0.27 -0.23 0.00 0.00 178.00 178.83 3dxc n ASN 642 N -3.13 -1.91 -0.82 1.44 0.23 -1.14 -4.75 115.26 105.19 3dxc n ASN 642 Ca 0.03 -2.37 0.07 0.00 -0.53 0.00 0.00 54.58 51.78 3dxc n ASN 642 Cb 0.51 3.19 0.19 0.00 -2.08 0.00 0.00 39.78 41.59 3dxc n ASN 642 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxc n ALA 643 N -0.94 2.49 0.13 -2.53 0.00 -0.60 -4.56 120.51 114.50 3dxc n ALA 643 Ca -0.14 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 3dxc n ALA 643 Cb 0.50 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3dxc n ALA 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxc h ALA 644 N 3.74 -0.26 -0.65 0.00 0.00 -1.95 -1.66 119.26 118.47 3dxc h ALA 644 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dxc h ALA 644 Cb 0.62 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3dxc h ALA 644 CO 0.02 -0.61 0.17 0.66 0.00 0.00 0.00 179.25 179.49 3dxc h SER 645 N -0.35 0.96 -0.09 0.00 4.64 -2.00 -1.31 113.55 115.40 3dxc h SER 645 Ca -0.03 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3dxc h SER 645 Cb 0.27 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3dxc h SER 645 CO 0.04 0.92 -0.02 0.25 -0.87 0.00 0.00 176.83 177.16 3dxc h LEU 646 N 0.98 0.17 -1.13 5.97 5.85 -1.86 -1.34 115.31 123.95 3dxc h LEU 646 Ca 0.21 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3dxc h LEU 646 Cb 0.33 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3dxc h LEU 646 CO -0.00 0.48 0.46 0.77 -0.34 0.00 0.00 178.44 179.81 3dxc h SER 647 N -0.15 0.94 0.08 1.25 4.64 -1.18 -0.63 113.55 118.50 3dxc h SER 647 Ca 0.02 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dxc h SER 647 Cb 0.41 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3dxc h SER 647 CO 0.01 0.73 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.33 3dxc h GLU 648 N 1.08 -0.10 -0.50 4.77 5.08 -1.11 0.16 114.58 123.95 3dxc h GLU 648 Ca 0.28 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 3dxc h GLU 648 Cb -0.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3dxc h GLU 648 CO -0.05 -0.02 0.28 0.00 -1.00 0.00 0.00 179.01 178.21 3dxc h ALA 649 N 0.77 0.64 -0.23 3.43 0.00 -0.89 0.12 119.26 123.10 3dxc h ALA 649 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3dxc h ALA 649 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dxc h ALA 649 CO 0.02 -0.05 -0.40 0.28 0.00 0.00 0.00 179.25 179.10 3dxc h VAL 650 N 0.54 1.31 -0.64 0.00 2.07 -1.03 -1.79 116.25 116.71 3dxc h VAL 650 Ca 0.21 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.15 3dxc h VAL 650 Cb 0.08 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3dxc h VAL 650 CO -0.13 0.50 0.41 -0.61 0.02 0.00 0.00 177.57 177.76 3dxc h GLN 651 N 0.38 0.79 -0.69 1.57 4.15 -0.50 -2.30 115.11 118.52 3dxc h GLN 651 Ca 0.02 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.41 3dxc h GLN 651 Cb 0.99 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 3dxc h GLN 651 CO 0.09 0.52 0.43 0.00 -1.93 0.00 0.00 178.83 177.95 3dxc h ALA 652 N 1.26 0.89 -0.50 3.38 0.00 -0.62 -1.91 119.26 121.75 3dxc h ALA 652 Ca 0.25 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3dxc h ALA 652 Cb -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3dxc h ALA 652 CO -0.08 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.63 3dxc h ALA 653 N 1.29 0.64 -0.76 0.00 0.00 -1.08 -0.68 119.26 118.67 3dxc h ALA 653 Ca 0.27 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3dxc h ALA 653 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dxc h ALA 653 CO -0.10 -0.12 0.50 0.00 0.00 0.00 0.00 179.25 179.53 3dxc h MET 655 N 1.03 0.74 -0.16 0.00 2.07 -0.97 -1.83 114.93 115.81 3dxc h MET 655 Ca 0.28 -0.51 -0.01 0.00 -2.07 0.00 0.00 59.70 57.39 3dxc h MET 655 Cb -0.11 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3dxc h MET 655 CO -0.06 1.13 0.07 -0.07 1.07 0.00 0.00 176.91 179.06 3dxc h LEU 656 N 0.55 0.21 -0.70 1.22 3.38 -1.09 -3.08 115.31 115.80 3dxc h LEU 656 Ca -0.01 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3dxc h LEU 656 Cb 1.22 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 3dxc h LEU 656 CO 0.13 0.28 0.42 -0.09 0.09 0.00 0.00 178.44 179.27 3dxc h ARG 657 N 0.12 0.77 -0.59 1.13 9.65 -1.12 -1.47 114.38 122.86 3dxc h ARG 657 Ca 0.05 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3dxc h ARG 657 Cb 0.13 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 3dxc h ARG 657 CO -0.01 0.51 0.18 -0.92 2.80 0.00 0.00 179.97 182.53 3dxc h TYR 658 N 0.79 0.95 -0.60 2.20 3.20 -1.35 -1.34 116.97 120.82 3dxc h TYR 658 Ca 0.30 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3dxc h TYR 658 Cb 0.11 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3dxc h TYR 658 CO -0.06 0.79 0.07 0.37 -1.64 0.00 0.00 178.16 177.70 3dxc h GLN 659 N 0.84 1.01 -0.84 1.82 5.75 -1.41 -1.63 115.11 120.65 3dxc h GLN 659 Ca 0.19 -0.28 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3dxc h GLN 659 Cb 0.29 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 3dxc h GLN 659 CO -0.01 0.96 0.54 0.87 -2.65 0.00 0.00 178.83 178.55 3dxc h LYS 660 N 0.91 1.03 -0.31 1.69 1.57 -1.04 -0.89 116.57 119.52 3dxc h LYS 660 Ca 0.18 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3dxc h LYS 660 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3dxc h LYS 660 CO 0.02 0.68 -0.02 0.00 -0.57 0.00 0.00 179.45 179.55 3dxc h LEU 662 N 0.36 0.51 -0.39 0.00 3.38 -1.15 -2.24 115.31 115.79 3dxc h LEU 662 Ca 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3dxc h LEU 662 Cb 0.48 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3dxc h LEU 662 CO 0.02 0.34 0.12 0.44 0.09 0.00 0.00 178.44 179.45 3dxc h ASP 663 N 0.65 0.57 -0.22 -0.43 5.19 -1.03 -1.76 116.42 119.38 3dxc h ASP 663 Ca 0.28 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.52 3dxc h ASP 663 Cb 0.16 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 3dxc h ASP 663 CO -0.17 0.62 -0.01 0.00 -3.12 0.00 0.00 179.24 176.56 3dxc h ALA 664 N 0.96 0.18 -0.00 3.45 0.00 -0.92 -3.06 119.26 119.88 3dxc h ALA 664 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dxc h ALA 664 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dxc h ALA 664 CO -0.00 -0.44 -0.07 0.54 0.00 0.00 0.00 179.25 179.28 3dxc n ARG 665 N -5.16 0.56 0.00 0.00 1.74 -0.85 -5.11 116.66 107.84 3dxc n ARG 665 Ca -0.02 -0.12 0.15 0.00 -0.77 0.00 0.00 57.85 57.09 3dxc n ARG 665 Cb 0.12 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 30.83 3dxc n ARG 665 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98