#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxd s GLN 544 N 0.00 0.14 -0.04 -4.13 2.00 -0.88 -5.00 119.66 111.75 3dxd s GLN 544 Ca 0.00 0.24 0.02 0.00 -2.00 0.00 0.00 55.36 53.63 3dxd s GLN 544 Cb 0.00 -0.00 -0.03 0.00 0.80 0.00 0.00 33.01 33.78 3dxd s GLN 544 CO 0.00 -0.06 -0.08 0.08 -0.50 0.00 0.00 175.29 174.72 3dxd s VAL 545 N 0.41 3.55 -0.10 1.34 1.01 -1.25 -0.70 120.40 124.66 3dxd s VAL 545 Ca -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3dxd s VAL 545 Cb -0.04 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3dxd s VAL 545 CO -0.02 0.52 -0.19 -0.31 0.00 0.00 0.00 175.10 175.10 3dxd s TYR 546 N -0.87 2.18 -0.14 5.22 2.02 0.27 -1.33 117.35 124.70 3dxd s TYR 546 Ca 0.14 -0.93 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 3dxd s TYR 546 Cb -0.11 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3dxd s TYR 546 CO 0.04 -0.42 1.15 -0.47 -1.57 0.00 0.00 175.55 174.27 3dxd s TYR 547 N 0.61 3.18 -0.70 2.71 5.04 0.22 -1.34 117.35 127.08 3dxd s TYR 547 Ca -0.14 1.28 0.23 0.00 -2.44 0.00 0.00 57.07 56.01 3dxd s TYR 547 Cb -0.17 -3.37 0.18 0.00 0.35 0.00 0.00 41.96 38.95 3dxd s TYR 547 CO 0.04 -1.04 1.15 1.28 -1.34 0.00 0.00 175.55 175.64 3dxd n LEU 548 N 5.84 0.63 0.00 6.97 4.77 0.14 -3.02 117.00 132.33 3dxd n LEU 548 Ca 0.12 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3dxd n LEU 548 Cb 0.46 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3dxd n LEU 548 CO 0.54 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3dxd n GLY 549 N 1.39 -1.34 3.12 -0.72 0.00 -1.22 -4.93 105.19 101.48 3dxd n GLY 549 Ca 0.03 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 3dxd n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxd s ASN 550 N -2.85 1.19 0.03 1.61 2.20 -1.26 -1.55 114.94 114.31 3dxd s ASN 550 Ca 0.00 -0.64 -0.01 0.00 -0.94 0.00 0.00 52.86 51.28 3dxd s ASN 550 Cb 0.00 0.01 -0.02 0.00 -2.00 0.00 0.00 41.25 39.24 3dxd s ASN 550 CO 0.00 -0.19 -0.02 0.68 -2.94 0.00 0.00 177.10 174.63 3dxd s VAL 551 N -1.65 0.14 0.49 3.54 -7.23 -0.22 -4.94 120.40 110.53 3dxd s VAL 551 Ca -0.04 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 3dxd s VAL 551 Cb -0.08 -0.59 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 3dxd s VAL 551 CO 0.01 -0.61 1.29 -2.84 -0.31 0.00 0.00 175.10 172.63 3dxd s PRO 552 N -2.08 3.48 0.12 4.82 0.02 -1.26 0.03 135.00 140.12 3dxd s PRO 552 Ca -0.10 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.03 3dxd s PRO 552 Cb -0.05 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 3dxd s PRO 552 CO -0.03 -0.87 -0.07 0.14 -0.33 0.00 0.00 177.00 175.84 3dxd s VAL 553 N -1.37 0.83 -0.30 3.83 -7.23 -0.47 -4.81 120.40 110.88 3dxd s VAL 553 Ca 0.66 -1.98 0.23 0.00 -1.81 0.00 0.00 61.98 59.09 3dxd s VAL 553 Cb -0.36 -1.76 0.10 0.00 0.56 0.00 0.00 36.38 34.92 3dxd s VAL 553 CO 0.44 -0.81 1.21 0.00 -0.31 0.00 0.00 175.10 175.63 3dxd h ALA 554 N 2.90 0.65 -2.71 1.32 0.00 -1.97 -3.36 119.26 116.09 3dxd h ALA 554 Ca -0.36 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.27 3dxd h ALA 554 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 3dxd h ALA 554 CO 0.64 0.00 -0.72 0.15 0.00 0.00 0.00 179.25 179.32 3dxd s LYS 555 N -3.32 0.77 0.38 0.00 1.02 -1.26 -4.97 119.74 112.37 3dxd s LYS 555 Ca 0.02 -1.11 0.24 0.00 0.02 0.00 0.00 55.97 55.14 3dxd s LYS 555 Cb 0.08 -0.40 0.49 0.00 -0.52 0.00 0.00 37.83 37.48 3dxd s LYS 555 CO 0.75 0.05 1.66 -1.00 -0.92 0.00 0.00 175.35 175.90 3dxd h PRO 556 N 3.63 0.00 -4.28 -1.68 0.13 -1.96 -3.48 132.00 124.36 3dxd h PRO 556 Ca -0.37 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 3dxd h PRO 556 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 3dxd h PRO 556 CO 0.53 0.00 -0.69 0.14 -0.23 0.00 0.00 178.00 177.75 3dxd s VAL 557 N -3.20 0.31 0.00 1.56 -7.23 -1.26 -3.77 120.40 106.81 3dxd s VAL 557 Ca 0.08 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3dxd s VAL 557 Cb 0.07 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.87 3dxd s VAL 557 CO 0.65 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3dxd n GLY 558 N 0.60 3.80 0.30 2.32 0.00 -1.26 -4.74 105.19 106.21 3dxd n GLY 558 Ca -0.17 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.08 3dxd n GLY 558 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dxd h VAL 559 N 0.00 1.06 -0.84 1.61 -1.51 -1.99 -1.59 116.25 112.99 3dxd h VAL 559 Ca 0.00 -0.13 0.04 0.00 -1.23 0.00 0.00 66.70 65.38 3dxd h VAL 559 Cb 0.00 0.65 -0.05 0.00 -2.13 0.00 0.00 31.29 29.77 3dxd h VAL 559 CO 0.00 0.07 0.55 -2.24 -1.23 0.00 0.00 177.57 174.72 3dxd h ASP 560 N 0.38 0.89 0.01 4.19 2.03 -1.99 -1.41 116.42 120.52 3dxd h ASP 560 Ca 0.11 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3dxd h ASP 560 Cb -0.01 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 3dxd h ASP 560 CO -0.02 0.61 -0.00 0.58 -1.03 0.00 0.00 179.24 179.37 3dxd h VAL 561 N 1.03 1.36 -0.63 4.15 2.07 -1.60 -0.21 116.25 122.43 3dxd h VAL 561 Ca 0.34 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3dxd h VAL 561 Cb 0.05 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3dxd h VAL 561 CO -0.10 0.28 0.15 0.16 0.02 0.00 0.00 177.57 178.08 3dxd h ILE 562 N -0.48 1.25 -0.21 4.57 -0.00 -1.34 -0.67 117.51 120.63 3dxd h ILE 562 Ca -0.00 -0.90 -0.13 0.00 -0.00 0.00 0.00 64.86 63.83 3dxd h ILE 562 Cb 0.47 0.60 -0.01 0.00 -0.00 0.00 0.00 36.82 37.88 3dxd h ILE 562 CO 0.00 0.34 -0.42 0.78 -0.00 0.00 0.00 178.15 178.85 3dxd h ASN 563 N 0.94 0.52 -0.18 2.16 2.35 -1.25 0.16 115.58 120.28 3dxd h ASN 563 Ca 0.20 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3dxd h ASN 563 Cb 0.34 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3dxd h ASN 563 CO 0.00 0.88 -0.05 1.23 -1.65 0.00 0.00 177.43 177.84 3dxd h GLY 564 N 1.10 0.13 0.96 2.83 0.00 -0.58 -1.17 103.07 106.34 3dxd h GLY 564 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3dxd h GLY 564 CO 0.08 -0.07 0.17 0.00 0.00 0.00 0.00 176.54 176.71 3dxd h ALA 565 N 1.18 0.61 0.00 3.60 0.00 -0.32 -1.93 119.26 122.40 3dxd h ALA 565 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dxd h ALA 565 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dxd h ALA 565 CO -0.19 0.24 -0.00 -0.07 0.00 0.00 0.00 179.25 179.23 3dxd h LEU 566 N 0.62 -0.00 -0.82 0.00 3.38 -0.61 -0.77 115.31 117.11 3dxd h LEU 566 Ca 0.15 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3dxd h LEU 566 Cb 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3dxd h LEU 566 CO -0.01 0.07 0.49 -0.33 0.09 0.00 0.00 178.44 178.75 3dxd h GLU 567 N -0.07 0.85 -0.09 1.13 5.08 -1.09 0.14 114.58 120.54 3dxd h GLU 567 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3dxd h GLU 567 Cb 0.07 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3dxd h GLU 567 CO 0.00 0.56 0.04 1.03 -1.00 0.00 0.00 179.01 179.64 3dxd h SER 568 N 0.88 0.12 -0.46 1.42 0.87 -1.02 -1.37 113.55 113.99 3dxd h SER 568 Ca 0.37 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3dxd h SER 568 Cb 0.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3dxd h SER 568 CO -0.20 0.26 -0.14 1.62 -0.53 0.00 0.00 176.83 177.84 3dxd h VAL 569 N -0.02 1.27 -0.60 2.23 3.04 -0.82 -2.86 116.25 118.50 3dxd h VAL 569 Ca 0.03 -1.28 -0.02 0.00 -1.01 0.00 0.00 66.70 64.42 3dxd h VAL 569 Cb 0.17 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.45 3dxd h VAL 569 CO -0.00 0.44 0.29 -0.07 -1.01 0.00 0.00 177.57 177.22 3dxd h LEU 570 N 0.84 0.75 -1.30 3.16 3.38 -0.66 -2.86 115.31 118.62 3dxd h LEU 570 Ca 0.13 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3dxd h LEU 570 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3dxd h LEU 570 CO 0.05 0.64 -0.12 0.77 0.09 0.00 0.00 178.44 179.87 3dxd h SER 571 N 0.84 0.31 -0.67 -0.43 4.64 -1.02 -3.26 113.55 113.96 3dxd h SER 571 Ca 0.21 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3dxd h SER 571 Cb 0.09 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3dxd h SER 571 CO -0.03 0.46 0.00 -1.54 -0.87 0.00 0.00 176.83 174.85 3dxd n SER 572 N -4.25 4.17 -4.06 4.97 3.41 -1.08 -4.93 113.62 111.84 3dxd n SER 572 Ca -0.00 -2.17 -0.09 0.00 -0.26 0.00 0.00 58.87 56.36 3dxd n SER 572 Cb 0.28 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 3dxd n SER 572 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dxd s SER 573 N -0.98 0.30 0.25 4.04 1.04 -1.20 -5.10 113.70 112.06 3dxd s SER 573 Ca 0.48 -1.01 0.10 0.00 0.48 0.00 0.00 55.95 56.00 3dxd s SER 573 Cb 0.27 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3dxd s SER 573 CO 0.29 -0.71 -0.03 -0.94 0.98 0.00 0.00 173.24 172.83 3dxd s SER 574 N -2.97 4.45 0.62 7.02 1.04 -1.26 -4.91 113.70 117.70 3dxd s SER 574 Ca 0.15 -0.66 0.33 0.00 0.48 0.00 0.00 55.95 56.25 3dxd s SER 574 Cb 0.07 -0.80 1.86 0.00 0.10 0.00 0.00 66.02 67.25 3dxd s SER 574 CO -0.04 0.02 2.15 0.03 0.98 0.00 0.00 173.24 176.37 3dxd h ARG 575 N 2.05 0.00 0.00 4.02 3.08 -1.98 -0.84 114.38 120.70 3dxd h ARG 575 Ca -0.44 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 3dxd h ARG 575 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3dxd h ARG 575 CO 0.60 0.00 -0.27 0.93 -1.07 0.00 0.00 179.97 180.16 3dxd h GLU 576 N 0.00 0.00 0.00 0.04 3.07 -2.06 -2.80 114.58 112.83 3dxd h GLU 576 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3dxd h GLU 576 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3dxd h GLU 576 CO -0.00 0.27 -0.16 1.04 -1.40 0.00 0.00 179.01 178.76 3dxd n GLN 577 N -3.49 0.17 -2.27 2.33 6.02 -0.32 -4.89 117.38 114.93 3dxd n GLN 577 Ca -0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 3dxd n GLN 577 Cb 0.43 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 3dxd n GLN 577 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3dxd s TRP 578 N -3.07 2.96 -0.50 1.08 0.51 -1.06 -4.97 118.94 113.89 3dxd s TRP 578 Ca 0.11 0.91 -0.28 0.00 -2.12 0.00 0.00 56.10 54.72 3dxd s TRP 578 Cb 0.15 -3.61 0.01 0.00 -0.81 0.00 0.00 33.47 29.20 3dxd s TRP 578 CO 0.61 -2.21 1.46 0.99 -0.51 0.00 0.00 176.95 177.29 3dxd s THR 579 N 2.22 3.78 0.34 2.01 2.01 -1.17 -4.91 115.64 119.94 3dxd s THR 579 Ca 0.62 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 63.05 3dxd s THR 579 Cb -0.31 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 67.80 3dxd s THR 579 CO 0.26 -0.98 1.43 -2.16 -0.69 0.00 0.00 174.62 172.48 3dxd s PRO 580 N 5.42 4.21 0.17 4.92 0.04 -1.26 -0.61 135.00 147.89 3dxd s PRO 580 Ca 0.57 2.43 -0.10 0.00 0.04 0.00 0.00 61.00 63.94 3dxd s PRO 580 Cb -0.12 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.43 3dxd s PRO 580 CO 0.28 -0.42 0.50 -1.13 0.04 0.00 0.00 177.00 176.27 3dxd n SER 581 N 0.93 -1.14 -3.84 6.66 3.41 -0.44 -1.37 113.62 117.83 3dxd n SER 581 Ca 0.02 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 3dxd n SER 581 Cb 0.40 1.89 -0.07 0.00 -0.26 0.00 0.00 64.21 66.16 3dxd n SER 581 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3dxd s HIS 582 N -4.57 0.09 -0.17 7.33 -3.43 -0.90 -3.84 115.29 109.80 3dxd s HIS 582 Ca 0.11 -0.44 -0.04 0.00 -0.80 0.00 0.00 55.06 53.89 3dxd s HIS 582 Cb -0.02 -0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 31.08 3dxd s HIS 582 CO 0.05 -0.52 -0.04 0.08 -2.00 0.00 0.00 174.74 172.31 3dxd s VAL 583 N -3.43 3.76 -0.46 -5.38 1.01 -1.26 -1.60 120.40 113.03 3dxd s VAL 583 Ca 0.02 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 3dxd s VAL 583 Cb 0.03 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.79 3dxd s VAL 583 CO -0.09 0.48 0.60 -0.55 0.00 0.00 0.00 175.10 175.53 3dxd s SER 584 N 0.61 6.26 -0.31 3.32 0.15 0.54 -4.92 113.70 119.34 3dxd s SER 584 Ca -0.03 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.88 3dxd s SER 584 Cb -0.14 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 3dxd s SER 584 CO 0.02 -0.79 0.21 -0.69 1.20 0.00 0.00 173.24 173.20 3dxd s VAL 585 N 2.62 5.23 0.13 4.45 1.01 -1.26 -0.11 120.40 132.46 3dxd s VAL 585 Ca 0.18 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3dxd s VAL 585 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3dxd s VAL 585 CO 0.15 0.12 -0.19 0.00 0.00 0.00 0.00 175.10 175.18 3dxd s ALA 586 N 1.73 1.83 0.48 5.51 0.00 0.23 -5.03 121.76 126.51 3dxd s ALA 586 Ca 0.06 -1.33 0.26 0.00 0.00 0.00 0.00 51.96 50.95 3dxd s ALA 586 Cb -0.17 -0.20 1.31 0.00 0.00 0.00 0.00 23.12 24.07 3dxd s ALA 586 CO 0.10 0.28 1.85 -1.35 0.00 0.00 0.00 175.76 176.64 3dxd h PRO 587 N 3.73 0.18 0.05 0.00 0.11 -1.94 -2.80 132.00 131.33 3dxd h PRO 587 Ca -0.44 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3dxd h PRO 587 Cb 1.19 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dxd h PRO 587 CO 0.45 0.12 -0.58 0.00 -0.21 0.00 0.00 178.00 177.77 3dxd h ALA 588 N 1.56 -0.00 -2.60 -0.75 0.00 -1.96 -3.40 119.26 112.10 3dxd h ALA 588 Ca 0.49 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3dxd h ALA 588 Cb 1.60 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.26 3dxd h ALA 588 CO -0.11 0.29 -0.46 0.95 0.00 0.00 0.00 179.25 179.92 3dxd s THR 589 N -2.84 0.12 -0.11 0.00 -4.23 -1.06 -1.03 115.64 106.49 3dxd s THR 589 Ca -0.14 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 3dxd s THR 589 Cb 0.02 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 3dxd s THR 589 CO 0.80 -0.53 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.56 3dxd s LEU 590 N -2.03 3.35 -0.16 4.79 1.43 -0.17 -0.60 118.68 125.29 3dxd s LEU 590 Ca -0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3dxd s LEU 590 Cb -0.02 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3dxd s LEU 590 CO -0.04 0.28 -0.19 -0.89 0.23 0.00 0.00 176.35 175.75 3dxd s THR 591 N -0.32 1.93 -0.29 5.49 2.01 0.84 -0.84 115.64 124.47 3dxd s THR 591 Ca 0.06 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 60.99 3dxd s THR 591 Cb -0.12 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3dxd s THR 591 CO 0.02 0.52 0.57 -0.63 -0.69 0.00 0.00 174.62 174.42 3dxd s ILE 592 N 1.20 5.00 -0.05 1.82 1.01 -0.51 -0.34 121.20 129.33 3dxd s ILE 592 Ca 0.01 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.57 3dxd s ILE 592 Cb -0.14 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3dxd s ILE 592 CO -0.09 -0.04 -0.23 -0.76 0.00 0.00 0.00 174.94 173.82 3dxd s LEU 593 N 2.46 2.02 0.40 2.97 1.43 -0.63 0.05 118.68 127.39 3dxd s LEU 593 Ca 0.23 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.61 3dxd s LEU 593 Cb -0.15 -1.25 -0.11 0.00 0.03 0.00 0.00 46.19 44.71 3dxd s LEU 593 CO 0.10 0.22 1.25 1.57 0.23 0.00 0.00 176.35 179.73 3dxd n HIS 594 N 2.97 2.07 -0.14 0.29 -0.00 -0.15 -2.12 115.22 118.15 3dxd n HIS 594 Ca -0.17 0.52 -0.04 0.00 -0.00 0.00 0.00 57.72 58.03 3dxd n HIS 594 Cb 0.52 -2.37 -0.03 0.00 -0.00 0.00 0.00 29.99 28.11 3dxd n HIS 594 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 3dxd h GLN 595 N 2.15 -0.01 0.00 1.57 4.15 -1.53 -2.08 115.11 119.36 3dxd h GLN 595 Ca -0.47 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 58.54 3dxd h GLN 595 Cb 1.30 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 3dxd h GLN 595 CO 0.60 -0.01 -2.41 0.94 -1.93 0.00 0.00 178.83 176.03 3dxd n GLN 596 N -3.75 0.56 0.28 1.69 7.27 -1.26 -4.39 117.38 117.78 3dxd n GLN 596 Ca 0.01 0.21 0.13 0.00 0.07 0.00 0.00 57.00 57.41 3dxd n GLN 596 Cb 0.09 -1.43 0.81 0.00 2.41 0.00 0.00 30.24 32.12 3dxd n GLN 596 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3dxd h THR 597 N -0.64 0.64 -1.60 1.69 1.35 -1.99 -3.46 112.91 108.91 3dxd h THR 597 Ca -0.62 -0.16 -0.37 0.00 -0.55 0.00 0.00 66.41 64.72 3dxd h THR 597 Cb 1.65 1.09 -0.09 0.00 -1.73 0.00 0.00 68.15 69.07 3dxd h THR 597 CO -0.30 0.04 -0.39 -0.62 -0.25 0.00 0.00 175.52 173.99 3dxd n GLU 598 N -3.93 -1.35 -2.14 4.72 -0.58 -0.78 -4.98 120.64 111.60 3dxd n GLU 598 Ca -0.03 1.04 -0.39 0.00 -0.42 0.00 0.00 57.16 57.36 3dxd n GLU 598 Cb 0.13 -5.41 -0.01 0.00 -0.57 0.00 0.00 31.44 25.58 3dxd n GLU 598 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxd s ALA 599 N -2.78 3.16 -0.30 0.62 0.00 -1.26 -4.57 121.76 116.63 3dxd s ALA 599 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3dxd s ALA 599 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3dxd s ALA 599 CO 0.00 -0.74 1.15 0.08 0.00 0.00 0.00 175.76 176.25 3dxd s VAL 600 N -1.35 4.39 -0.11 0.00 1.01 -1.26 -0.98 120.40 122.10 3dxd s VAL 600 Ca 0.59 1.60 0.16 0.00 0.00 0.00 0.00 61.98 64.34 3dxd s VAL 600 Cb -0.35 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.56 3dxd s VAL 600 CO 0.44 -0.45 0.76 0.18 0.00 0.00 0.00 175.10 176.03 3dxd n LEU 601 N 7.05 0.81 -3.62 3.92 4.77 0.11 -4.97 117.00 125.07 3dxd n LEU 601 Ca 0.13 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.43 3dxd n LEU 601 Cb 0.47 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3dxd n LEU 601 CO 0.60 0.19 0.82 -0.83 -1.33 0.00 0.00 177.39 176.83 3dxd s GLY 602 N -4.86 -0.35 -0.05 -0.72 0.00 -1.15 -4.98 107.32 95.21 3dxd s GLY 602 Ca -0.04 0.75 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 3dxd s GLY 602 CO 0.82 0.22 0.13 1.85 0.00 0.00 0.00 173.10 176.11 3dxd s GLU 603 N -2.94 0.12 -0.06 2.90 2.12 -1.26 -1.42 118.70 118.16 3dxd s GLU 603 Ca 0.10 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.70 3dxd s GLU 603 Cb -0.00 -0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.36 3dxd s GLU 603 CO -0.04 -0.09 -0.08 0.00 -0.54 0.00 0.00 175.26 174.51 3dxd s ARG 605 N 0.81 4.23 0.35 0.00 0.52 -1.26 -1.00 118.95 122.60 3dxd s ARG 605 Ca -0.12 1.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.90 3dxd s ARG 605 Cb -0.15 -3.77 0.79 0.00 0.52 0.00 0.00 34.95 32.33 3dxd s ARG 605 CO 0.02 -0.71 1.86 0.28 0.02 0.00 0.00 175.30 176.77 3dxd h VAL 606 N 5.46 0.84 -0.14 3.52 2.07 -1.33 0.15 116.25 126.82 3dxd h VAL 606 Ca -0.29 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.02 3dxd h VAL 606 Cb 1.12 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3dxd h VAL 606 CO 0.96 0.13 0.17 -0.09 0.02 0.00 0.00 177.57 178.77 3dxd h ARG 607 N 0.72 0.00 -0.30 1.57 2.43 -1.85 -1.95 114.38 115.00 3dxd h ARG 607 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 3dxd h ARG 607 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3dxd h ARG 607 CO -0.22 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.43 3dxd n PHE 608 N -3.68 0.39 -2.28 2.20 3.72 0.02 -4.90 117.46 112.93 3dxd n PHE 608 Ca 0.00 -0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 56.64 3dxd n PHE 608 Cb 0.28 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 3dxd n PHE 608 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dxd s LEU 609 N -1.06 4.08 -0.09 4.37 0.20 -0.74 0.09 118.68 125.54 3dxd s LEU 609 Ca 0.25 1.68 0.11 0.00 0.69 0.00 0.00 54.13 56.86 3dxd s LEU 609 Cb 0.14 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 42.13 3dxd s LEU 609 CO 0.19 -0.96 0.48 -1.54 -0.29 0.00 0.00 176.35 174.22 3dxd n SER 610 N 7.31 0.87 -3.63 3.68 3.41 0.55 -4.91 113.62 120.91 3dxd n SER 610 Ca 0.16 0.29 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 3dxd n SER 610 Cb 0.45 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 3dxd n SER 610 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dxd s PHE 611 N -2.57 -0.46 0.00 7.33 5.36 -1.20 -4.89 117.98 121.56 3dxd s PHE 611 Ca -0.09 0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 56.58 3dxd s PHE 611 Cb 0.07 0.27 0.01 0.00 -0.34 0.00 0.00 43.02 43.03 3dxd s PHE 611 CO 0.81 -0.50 0.20 -0.48 -1.46 0.00 0.00 175.22 173.80 3dxd s LEU 612 N -1.13 1.31 0.18 6.12 0.05 -1.26 0.20 118.68 124.14 3dxd s LEU 612 Ca -0.11 -0.13 -0.21 0.00 0.05 0.00 0.00 54.13 53.73 3dxd s LEU 612 Cb -0.02 0.90 0.05 0.00 -2.05 0.00 0.00 46.19 45.06 3dxd s LEU 612 CO 0.07 -0.42 0.58 0.00 -0.55 0.00 0.00 176.35 176.03 3dxd s ALA 613 N -1.49 -1.32 -0.01 1.48 0.00 -0.58 -5.01 121.76 114.84 3dxd s ALA 613 Ca -0.13 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 3dxd s ALA 613 Cb -0.06 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 3dxd s ALA 613 CO 0.02 -0.81 0.50 0.08 0.00 0.00 0.00 175.76 175.55 3dxd s VAL 614 N -3.81 4.96 1.26 0.00 1.01 -1.26 -1.35 120.40 121.21 3dxd s VAL 614 Ca 0.05 1.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 3dxd s VAL 614 Cb -0.01 -3.83 0.31 0.00 0.00 0.00 0.00 36.38 32.85 3dxd s VAL 614 CO -0.07 0.49 1.10 -0.83 0.00 0.00 0.00 175.10 175.78 3dxd s GLY 615 N -0.54 1.58 0.31 4.51 0.00 -0.76 -4.94 107.32 107.48 3dxd s GLY 615 Ca 0.27 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3dxd s GLY 615 CO 0.15 -0.12 1.82 3.21 0.00 0.00 0.00 173.10 178.17 3dxd h ARG 616 N -2.78 0.61 -6.28 2.90 2.47 -1.96 -3.35 114.38 105.98 3dxd h ARG 616 Ca -0.42 -0.15 -0.57 0.00 -1.26 0.00 0.00 59.98 57.58 3dxd h ARG 616 Cb 1.29 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.47 3dxd h ARG 616 CO 0.28 0.64 0.88 0.34 0.56 0.00 0.00 179.97 182.68 3dxd s ASP 617 N -6.71 6.88 0.42 7.04 -1.08 -1.26 -4.95 116.67 117.00 3dxd s ASP 617 Ca -0.08 1.21 0.26 0.00 -0.52 0.00 0.00 52.55 53.41 3dxd s ASP 617 Cb 0.15 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.46 3dxd s ASP 617 CO 0.78 -0.90 1.77 1.62 0.52 0.00 0.00 175.17 178.96 3dxd h VAL 618 N 5.74 0.00 0.00 1.11 3.04 -1.96 -0.15 116.25 124.03 3dxd h VAL 618 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3dxd h VAL 618 Cb 1.08 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3dxd h VAL 618 CO 1.02 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 178.03 3dxd h HIS 619 N 0.00 0.00 -3.06 3.17 3.86 -1.86 0.18 115.15 117.44 3dxd h HIS 619 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 3dxd h HIS 619 Cb 0.13 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3dxd h HIS 619 CO 0.00 0.00 -0.19 0.95 0.86 0.00 0.00 177.93 179.55 3dxd s THR 620 N -3.21 5.01 0.03 2.45 -4.23 -0.07 0.84 115.64 116.45 3dxd s THR 620 Ca 0.08 0.79 0.03 0.00 -1.18 0.00 0.00 61.69 61.42 3dxd s THR 620 Cb 0.09 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 3dxd s THR 620 CO 0.59 0.51 -0.10 0.12 -0.54 0.00 0.00 174.62 175.20 3dxd s PHE 621 N -1.16 0.91 -0.06 3.99 5.36 -0.84 -1.83 117.98 124.34 3dxd s PHE 621 Ca 0.26 -0.32 -0.14 0.00 -0.96 0.00 0.00 56.93 55.78 3dxd s PHE 621 Cb -0.16 -0.55 0.03 0.00 -0.34 0.00 0.00 43.02 42.00 3dxd s PHE 621 CO 0.15 -0.01 0.33 0.00 -1.46 0.00 0.00 175.22 174.23 3dxd s ALA 622 N -0.77 -0.83 0.06 11.12 0.00 -0.46 -1.26 121.76 129.63 3dxd s ALA 622 Ca -0.01 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.62 3dxd s ALA 622 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3dxd s ALA 622 CO 0.01 -0.22 -0.15 -0.59 0.00 0.00 0.00 175.76 174.80 3dxd s PHE 623 N -0.68 1.33 -0.18 0.00 -0.12 -0.60 -1.52 117.98 116.21 3dxd s PHE 623 Ca -0.08 -0.41 -0.07 0.00 -0.05 0.00 0.00 56.93 56.32 3dxd s PHE 623 Cb -0.04 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 3dxd s PHE 623 CO 0.03 0.07 0.06 0.42 -0.05 0.00 0.00 175.22 175.74 3dxd s ILE 624 N -1.06 4.76 -0.11 -4.49 1.01 0.13 -0.74 121.20 120.70 3dxd s ILE 624 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3dxd s ILE 624 Cb -0.09 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3dxd s ILE 624 CO 0.02 0.47 0.01 -0.04 0.00 0.00 0.00 174.94 175.40 3dxd s MET 625 N 0.27 3.25 -1.00 2.79 -1.94 0.80 -0.33 119.30 123.14 3dxd s MET 625 Ca 0.03 -0.41 -0.22 0.00 -1.71 0.00 0.00 55.69 53.38 3dxd s MET 625 Cb -0.12 -2.89 0.06 0.00 2.01 0.00 0.00 34.83 33.89 3dxd s MET 625 CO 0.00 0.57 1.40 0.00 -0.01 0.00 0.00 175.02 176.98 3dxd s ALA 626 N -0.51 2.81 0.30 3.03 0.00 0.11 -1.19 121.76 126.32 3dxd s ALA 626 Ca 0.09 -2.32 0.32 0.00 0.00 0.00 0.00 51.96 50.05 3dxd s ALA 626 Cb -0.12 -4.45 1.50 0.00 0.00 0.00 0.00 23.12 20.05 3dxd s ALA 626 CO 0.02 -3.52 2.05 0.00 0.00 0.00 0.00 175.76 174.31 3dxd h ALA 627 N 9.66 1.09 -2.96 0.00 0.00 -1.09 -3.45 119.26 122.50 3dxd h ALA 627 Ca 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dxd h ALA 627 Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3dxd h ALA 627 CO 1.38 0.09 0.29 0.20 0.00 0.00 0.00 179.25 181.21 3dxd s GLY 628 N -4.20 0.29 0.32 0.00 0.00 -0.90 -4.98 107.32 97.85 3dxd s GLY 628 Ca -0.01 -0.66 0.09 0.00 0.00 0.00 0.00 44.72 44.14 3dxd s GLY 628 CO 0.55 -0.11 1.67 -2.55 0.00 0.00 0.00 173.10 172.66 3dxd h PRO 629 N 2.00 0.33 -0.19 2.90 0.11 -2.02 -2.45 132.00 132.68 3dxd h PRO 629 Ca -0.30 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 3dxd h PRO 629 Cb 1.25 -0.07 -0.36 0.00 0.11 0.00 0.00 31.00 31.92 3dxd h PRO 629 CO 0.38 0.22 -1.00 0.00 -0.21 0.00 0.00 178.00 177.38 3dxd n ALA 630 N -2.43 2.71 -3.72 -0.75 0.00 -1.26 -5.03 120.51 110.02 3dxd n ALA 630 Ca 0.27 -2.65 -0.21 0.00 0.00 0.00 0.00 53.44 50.85 3dxd n ALA 630 Cb 0.83 -0.73 -0.17 0.00 0.00 0.00 0.00 19.45 19.38 3dxd n ALA 630 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxd s SER 631 N -2.80 1.17 -0.03 0.00 0.15 -0.92 -5.09 113.70 106.17 3dxd s SER 631 Ca 0.33 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.96 3dxd s SER 631 Cb 0.37 -0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3dxd s SER 631 CO -0.11 -0.16 -0.14 -0.36 1.20 0.00 0.00 173.24 173.67 3dxd s PHE 632 N 1.61 1.42 -0.06 3.44 0.08 -1.26 -0.51 117.98 122.71 3dxd s PHE 632 Ca -0.01 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3dxd s PHE 632 Cb -0.13 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3dxd s PHE 632 CO -0.03 -0.12 -0.07 0.00 -0.10 0.00 0.00 175.22 174.90 3dxd s HIS 635 N 1.63 3.41 0.00 0.00 3.76 0.08 -1.06 115.29 123.11 3dxd s HIS 635 Ca 0.06 0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.32 3dxd s HIS 635 Cb -0.15 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 3dxd s HIS 635 CO 0.06 0.39 -0.10 -1.64 -0.85 0.00 0.00 174.74 172.60 3dxd s MET 636 N -0.08 0.75 0.03 1.40 -1.94 -0.59 -1.55 119.30 117.32 3dxd s MET 636 Ca 0.09 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 3dxd s MET 636 Cb -0.12 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 35.99 3dxd s MET 636 CO 0.00 0.19 -0.07 -0.06 -0.01 0.00 0.00 175.02 175.07 3dxd s PHE 637 N -0.40 0.60 -0.18 -0.03 0.40 -0.39 0.24 117.98 118.23 3dxd s PHE 637 Ca 0.02 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3dxd s PHE 637 Cb -0.05 -0.37 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 3dxd s PHE 637 CO -0.00 -0.06 -0.04 -0.46 0.70 0.00 0.00 175.22 175.35 3dxd s TRP 638 N -1.02 2.98 -0.11 0.36 -0.11 -0.45 -2.00 118.94 118.59 3dxd s TRP 638 Ca -0.07 -0.52 0.03 0.00 1.22 0.00 0.00 56.10 56.76 3dxd s TRP 638 Cb -0.08 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 29.90 3dxd s TRP 638 CO 0.00 -0.22 -0.22 0.00 -4.62 0.00 0.00 176.95 171.90 3dxd s GLU 640 N 0.56 3.36 0.44 0.00 0.41 0.13 -2.69 118.70 120.90 3dxd s GLU 640 Ca -0.14 -0.36 0.24 0.00 -0.41 0.00 0.00 54.97 54.30 3dxd s GLU 640 Cb -0.17 -2.96 0.92 0.00 -1.78 0.00 0.00 34.13 30.14 3dxd s GLU 640 CO 0.04 0.57 1.83 -1.00 -0.49 0.00 0.00 175.26 176.21 3dxd h PRO 641 N 5.64 0.00 -2.89 0.39 0.13 -1.95 -2.35 132.00 130.97 3dxd h PRO 641 Ca -0.46 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3dxd h PRO 641 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3dxd h PRO 641 CO 0.60 0.23 0.29 0.54 -0.23 0.00 0.00 178.00 179.43 3dxd s ASN 642 N -6.20 -0.16 0.00 1.44 2.20 -1.10 -4.76 114.94 106.37 3dxd s ASN 642 Ca 0.00 -0.73 0.28 0.00 -0.94 0.00 0.00 52.86 51.47 3dxd s ASN 642 Cb 0.10 0.72 1.46 0.00 -2.00 0.00 0.00 41.25 41.53 3dxd s ASN 642 CO 0.64 -1.37 1.97 0.00 -2.94 0.00 0.00 177.10 175.40 3dxd n ALA 643 N -0.49 2.63 -0.03 3.54 0.00 0.05 -4.45 120.51 121.77 3dxd n ALA 643 Ca -0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 3dxd n ALA 643 Cb 0.59 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 3dxd n ALA 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxd h ALA 644 N 4.03 0.15 -0.42 0.00 0.00 -1.94 -1.46 119.26 119.63 3dxd h ALA 644 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3dxd h ALA 644 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dxd h ALA 644 CO 0.00 -0.24 -0.33 0.66 0.00 0.00 0.00 179.25 179.33 3dxd h SER 645 N 0.00 1.01 -0.24 0.00 4.64 -2.00 -1.76 113.55 115.20 3dxd h SER 645 Ca 0.04 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 3dxd h SER 645 Cb 0.21 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3dxd h SER 645 CO -0.00 1.24 0.09 0.25 -0.87 0.00 0.00 176.83 177.53 3dxd h LEU 646 N 0.80 0.35 -0.78 5.97 5.85 -1.85 -1.83 115.31 123.82 3dxd h LEU 646 Ca 0.08 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3dxd h LEU 646 Cb 0.92 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3dxd h LEU 646 CO 0.09 0.44 0.01 0.77 -0.34 0.00 0.00 178.44 179.40 3dxd h SER 647 N 0.24 0.91 0.03 1.25 4.64 -1.18 -1.30 113.55 118.13 3dxd h SER 647 Ca 0.08 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 3dxd h SER 647 Cb 0.21 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3dxd h SER 647 CO -0.00 0.96 -0.43 -0.33 -0.87 0.00 0.00 176.83 176.15 3dxd h GLU 648 N 0.87 0.49 -0.40 4.77 5.08 -1.35 -0.32 114.58 123.72 3dxd h GLU 648 Ca 0.16 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3dxd h GLU 648 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dxd h GLU 648 CO 0.02 0.83 0.17 0.00 -1.00 0.00 0.00 179.01 179.03 3dxd h ALA 649 N 1.13 0.52 -0.56 3.43 0.00 -0.85 0.97 119.26 123.89 3dxd h ALA 649 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3dxd h ALA 649 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dxd h ALA 649 CO 0.08 0.11 -0.02 0.28 0.00 0.00 0.00 179.25 179.70 3dxd h VAL 650 N 0.50 1.27 -0.74 0.00 2.07 -1.18 -0.90 116.25 117.27 3dxd h VAL 650 Ca 0.13 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3dxd h VAL 650 Cb 0.18 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3dxd h VAL 650 CO -0.01 0.41 0.45 -0.61 0.02 0.00 0.00 177.57 177.84 3dxd h GLN 651 N 0.90 0.83 -0.66 1.57 4.15 -0.89 -1.64 115.11 119.37 3dxd h GLN 651 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3dxd h GLN 651 Cb 0.57 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 3dxd h GLN 651 CO 0.03 0.55 0.39 0.00 -1.93 0.00 0.00 178.83 177.88 3dxd h ALA 652 N 1.34 0.84 -0.45 3.38 0.00 -0.40 -0.50 119.26 123.47 3dxd h ALA 652 Ca 0.31 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3dxd h ALA 652 Cb 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3dxd h ALA 652 CO -0.15 0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.59 3dxd h ALA 653 N 1.20 0.54 -0.68 0.00 0.00 -0.75 -1.03 119.26 118.55 3dxd h ALA 653 Ca 0.24 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3dxd h ALA 653 Cb -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3dxd h ALA 653 CO -0.04 -0.23 0.41 0.00 0.00 0.00 0.00 179.25 179.38 3dxd h MET 655 N 0.78 0.41 -0.47 0.00 2.86 -0.48 -0.65 114.93 117.38 3dxd h MET 655 Ca 0.28 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.75 3dxd h MET 655 Cb 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3dxd h MET 655 CO -0.13 0.35 -0.20 -0.07 1.06 0.00 0.00 176.91 177.92 3dxd h LEU 656 N 0.36 0.97 -0.74 1.22 3.38 -1.15 -2.69 115.31 116.67 3dxd h LEU 656 Ca 0.10 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3dxd h LEU 656 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3dxd h LEU 656 CO -0.02 1.13 0.36 -0.09 0.09 0.00 0.00 178.44 179.91 3dxd h ARG 657 N 0.83 1.06 -0.93 1.13 9.65 -0.80 -2.33 114.38 122.99 3dxd h ARG 657 Ca 0.11 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3dxd h ARG 657 Cb 0.76 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 3dxd h ARG 657 CO 0.06 0.83 0.61 -0.92 2.80 0.00 0.00 179.97 183.35 3dxd h TYR 658 N 1.03 1.18 -0.03 2.20 3.20 -1.02 -1.60 116.97 121.94 3dxd h TYR 658 Ca 0.25 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 3dxd h TYR 658 Cb 0.12 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 3dxd h TYR 658 CO 0.01 0.75 0.02 0.37 -1.64 0.00 0.00 178.16 177.66 3dxd h GLN 659 N 1.27 0.04 -0.69 1.82 5.75 -1.21 -0.87 115.11 121.22 3dxd h GLN 659 Ca 0.34 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.98 3dxd h GLN 659 Cb -0.14 -0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.31 3dxd h GLN 659 CO -0.07 0.07 0.18 0.87 -2.65 0.00 0.00 178.83 177.23 3dxd h LYS 660 N -0.01 0.29 0.00 1.69 1.57 -1.18 0.41 116.57 119.34 3dxd h LYS 660 Ca 0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3dxd h LYS 660 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3dxd h LYS 660 CO -0.00 0.19 -0.22 0.00 -0.57 0.00 0.00 179.45 178.85 3dxd h LEU 662 N 0.00 0.63 -0.82 0.00 3.38 0.39 -3.28 115.31 115.61 3dxd h LEU 662 Ca -0.00 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 3dxd h LEU 662 Cb 0.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3dxd h LEU 662 CO 0.03 1.49 0.25 0.44 0.09 0.00 0.00 178.44 180.73 3dxd h ASP 663 N 0.14 1.05 0.41 -0.43 3.32 0.27 -2.90 116.42 118.27 3dxd h ASP 663 Ca -0.17 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 3dxd h ASP 663 Cb 1.99 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 41.26 3dxd h ASP 663 CO 0.23 0.96 -0.21 0.00 -1.72 0.00 0.00 179.24 178.51 3dxd h ALA 664 N 1.18 1.33 -0.01 3.45 0.00 -0.95 -3.51 119.26 120.75 3dxd h ALA 664 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dxd h ALA 664 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dxd h ALA 664 CO -0.01 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.04