#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x79 n ARG 554 N 0.00 0.48 -0.23 -0.78 3.00 -1.26 -4.37 116.66 113.50 1x79 n ARG 554 Ca 0.00 0.51 0.14 0.00 -0.00 0.00 0.00 57.85 58.50 1x79 n ARG 554 Cb 0.00 -1.68 0.27 0.00 0.00 0.00 0.00 32.46 31.05 1x79 n ARG 554 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x79 n ASP 555 N -4.57 0.03 -0.09 6.15 8.00 -1.26 0.22 116.55 125.03 1x79 n ASP 555 Ca -0.13 1.15 -0.09 0.00 0.71 0.00 0.00 54.79 56.43 1x79 n ASP 555 Cb 0.36 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1x79 n ASP 555 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1x79 h GLN 556 N 0.00 -0.24 -0.18 -1.24 4.20 -1.98 1.92 115.11 117.59 1x79 h GLN 556 Ca 0.47 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.23 1x79 h GLN 556 Cb 1.08 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 1x79 h GLN 556 CO -0.60 -0.16 -0.07 0.28 -0.67 0.00 0.00 178.83 177.62 1x79 h VAL 557 N -0.24 0.76 -0.74 -0.54 2.07 0.24 0.30 116.25 118.10 1x79 h VAL 557 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1x79 h VAL 557 Cb 0.37 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1x79 h VAL 557 CO -0.38 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.17 1x79 h LYS 558 N -0.04 0.87 -0.37 1.57 3.64 -0.51 0.41 116.57 122.14 1x79 h LYS 558 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1x79 h LYS 558 Cb 0.18 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1x79 h LYS 558 CO -0.21 0.58 0.07 -0.22 -2.27 0.00 0.00 179.45 177.39 1x79 h LYS 559 N 0.90 0.62 -0.68 1.90 3.64 0.35 -1.41 116.57 121.88 1x79 h LYS 559 Ca 0.30 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1x79 h LYS 559 Cb 0.04 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1x79 h LYS 559 CO -0.12 0.67 0.14 -0.07 -2.27 0.00 0.00 179.45 177.80 1x79 h LEU 560 N 0.46 1.05 -0.70 5.20 3.38 -0.82 -2.64 115.31 121.25 1x79 h LEU 560 Ca 0.11 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1x79 h LEU 560 Cb 0.35 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1x79 h LEU 560 CO 0.01 1.03 0.40 1.56 0.09 0.00 0.00 178.44 181.52 1x79 h GLN 561 N 1.03 0.70 -0.26 1.13 4.20 -0.33 0.38 115.11 121.96 1x79 h GLN 561 Ca 0.21 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 1x79 h GLN 561 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1x79 h GLN 561 CO 0.01 0.46 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.30 1x79 h LEU 562 N 0.72 0.52 -0.51 1.46 3.38 -1.20 -0.25 115.31 119.43 1x79 h LEU 562 Ca 0.32 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1x79 h LEU 562 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1x79 h LEU 562 CO -0.19 0.77 0.08 0.24 0.09 0.00 0.00 178.44 179.43 1x79 h MET 563 N 0.45 0.84 -0.34 1.13 2.86 -1.01 -2.33 114.93 116.53 1x79 h MET 563 Ca 0.06 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1x79 h MET 563 Cb 0.69 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1x79 h MET 563 CO 0.05 0.83 -0.20 1.25 1.06 0.00 0.00 176.91 179.90 1x79 h LEU 564 N 0.72 0.65 -0.43 1.22 6.46 0.49 -1.24 115.31 123.18 1x79 h LEU 564 Ca 0.15 -0.22 -0.15 0.00 -0.12 0.00 0.00 57.88 57.55 1x79 h LEU 564 Cb 0.40 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1x79 h LEU 564 CO 0.01 0.85 -0.33 -0.09 -0.62 0.00 0.00 178.44 178.26 1x79 h ARG 565 N 0.57 0.96 -0.28 1.25 9.65 -1.03 0.15 114.38 125.66 1x79 h ARG 565 Ca 0.09 -0.47 0.04 0.00 -1.10 0.00 0.00 59.98 58.53 1x79 h ARG 565 Cb 0.66 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.21 1x79 h ARG 565 CO 0.05 1.14 0.04 1.96 2.80 0.00 0.00 179.97 185.96 1x79 h GLN 566 N 0.79 0.14 -0.10 0.20 1.08 -1.00 -1.09 115.11 115.13 1x79 h GLN 566 Ca 0.08 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1x79 h GLN 566 Cb 0.92 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1x79 h GLN 566 CO 0.09 0.09 0.03 0.00 -0.95 0.00 0.00 178.83 178.09 1x79 h ALA 567 N 1.21 0.11 -0.72 3.87 0.00 -0.79 -2.76 119.26 120.18 1x79 h ALA 567 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x79 h ALA 567 Cb 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1x79 h ALA 567 CO -0.18 -0.42 0.40 -0.97 0.00 0.00 0.00 179.25 178.08 1x79 h ASN 568 N 0.08 0.90 -0.80 0.00 -1.24 -0.42 0.18 115.58 114.28 1x79 h ASN 568 Ca 0.04 -0.09 0.08 0.00 0.71 0.00 0.00 56.30 57.05 1x79 h ASN 568 Cb 0.03 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.79 1x79 h ASN 568 CO -0.05 0.73 0.52 0.44 -1.29 0.00 0.00 177.43 177.79 1x79 h ASP 569 N 0.99 0.71 0.00 1.15 3.32 -1.06 -0.35 116.42 121.18 1x79 h ASP 569 Ca 0.26 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1x79 h ASP 569 Cb 0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1x79 h ASP 569 CO -0.04 0.43 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.21 1x79 h GLN 570 N 0.79 0.06 -0.76 3.56 5.75 -0.89 -2.40 115.11 121.22 1x79 h GLN 570 Ca 0.36 -0.07 0.17 0.00 -0.15 0.00 0.00 58.65 58.97 1x79 h GLN 570 Cb 0.37 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 28.82 1x79 h GLN 570 CO -0.14 0.86 0.14 1.25 -2.65 0.00 0.00 178.83 178.30 1x79 h LEU 571 N -0.71 -0.08 -0.22 -2.39 6.46 -0.38 -1.75 115.31 116.23 1x79 h LEU 571 Ca -0.01 0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.82 1x79 h LEU 571 Cb 0.90 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1x79 h LEU 571 CO 0.02 -0.09 -0.24 -0.33 -0.62 0.00 0.00 178.44 177.18 1x79 h GLU 572 N 0.21 0.55 -0.56 1.25 5.08 -0.93 0.44 114.58 120.62 1x79 h GLU 572 Ca 0.43 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1x79 h GLU 572 Cb 0.77 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1x79 h GLU 572 CO -0.57 0.89 0.30 -0.22 -1.00 0.00 0.00 179.01 178.41 1x79 h LYS 573 N 0.23 0.56 -0.13 2.33 3.11 -1.18 -0.44 116.57 121.05 1x79 h LYS 573 Ca 0.03 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 1x79 h LYS 573 Cb 0.80 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1x79 h LYS 573 CO 0.06 0.37 -0.44 1.15 -2.81 0.00 0.00 179.45 177.78 1x79 h THR 574 N 0.57 1.32 -0.15 1.00 2.02 -0.91 -1.64 112.91 115.12 1x79 h THR 574 Ca 0.25 -1.61 -0.15 0.00 0.77 0.00 0.00 66.41 65.66 1x79 h THR 574 Cb 0.14 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1x79 h THR 574 CO -0.16 0.49 -0.56 0.24 0.37 0.00 0.00 175.52 175.90 1x79 h MET 575 N 0.26 0.46 -0.14 6.66 2.86 -0.38 -1.85 114.93 122.80 1x79 h MET 575 Ca 0.02 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1x79 h MET 575 Cb 0.89 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1x79 h MET 575 CO 0.07 0.89 0.06 -0.22 1.06 0.00 0.00 176.91 178.78 1x79 h LYS 576 N 0.35 0.20 -0.73 1.72 3.64 -0.81 -1.27 116.57 119.68 1x79 h LYS 576 Ca 0.00 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1x79 h LYS 576 Cb 1.08 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1x79 h LYS 576 CO 0.10 0.28 0.41 -0.44 -2.27 0.00 0.00 179.45 177.53 1x79 h ASP 577 N 0.08 0.61 -0.41 4.20 3.32 -1.17 -0.71 116.42 122.34 1x79 h ASP 577 Ca 0.05 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1x79 h ASP 577 Cb 0.15 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1x79 h ASP 577 CO -0.00 0.38 0.11 0.50 -1.72 0.00 0.00 179.24 178.51 1x79 h LYS 578 N 0.74 0.64 -0.83 3.56 3.64 -1.17 -2.45 116.57 120.70 1x79 h LYS 578 Ca 0.33 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1x79 h LYS 578 Cb 0.23 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1x79 h LYS 578 CO -0.20 0.65 0.49 0.37 -2.27 0.00 0.00 179.45 178.50 1x79 h GLN 579 N 0.52 0.84 -0.23 1.90 5.75 -0.59 -0.40 115.11 122.89 1x79 h GLN 579 Ca 0.13 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1x79 h GLN 579 Cb 0.29 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1x79 h GLN 579 CO -0.00 0.55 0.15 0.93 -2.65 0.00 0.00 178.83 177.81 1x79 h GLU 580 N 0.86 0.31 -0.92 1.69 5.08 -0.97 -1.08 114.58 119.56 1x79 h GLU 580 Ca 0.39 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1x79 h GLU 580 Cb 0.28 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1x79 h GLU 580 CO -0.21 0.23 0.51 -0.07 -1.00 0.00 0.00 179.01 178.47 1x79 h LEU 581 N 0.30 1.14 -1.03 1.33 3.38 -0.98 -0.35 115.31 119.10 1x79 h LEU 581 Ca 0.08 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1x79 h LEU 581 Cb -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1x79 h LEU 581 CO -0.02 0.90 -0.10 -0.33 0.09 0.00 0.00 178.44 178.98 1x79 h GLU 582 N 1.28 0.58 -0.06 1.13 5.08 -0.63 0.03 114.58 121.98 1x79 h GLU 582 Ca 0.32 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1x79 h GLU 582 Cb 0.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x79 h GLU 582 CO -0.05 0.68 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.16 1x79 h ASP 583 N 0.54 0.14 -0.19 1.42 3.32 -0.69 -2.47 116.42 118.49 1x79 h ASP 583 Ca 0.10 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.78 1x79 h ASP 583 Cb 0.49 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 1x79 h ASP 583 CO 0.03 0.54 -0.33 0.15 -1.72 0.00 0.00 179.24 177.91 1x79 h PHE 584 N -0.26 -0.91 -1.01 4.55 3.57 -0.67 0.28 116.94 122.49 1x79 h PHE 584 Ca 0.01 0.04 0.27 0.00 3.53 0.00 0.00 57.97 61.82 1x79 h PHE 584 Cb 0.49 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 1x79 h PHE 584 CO 0.07 -0.40 0.68 0.82 -2.23 0.00 0.00 178.31 177.26 1x79 h ILE 585 N -0.37 0.54 0.11 1.41 2.04 -0.91 -0.26 117.51 120.07 1x79 h ILE 585 Ca 0.11 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 1x79 h ILE 585 Cb 0.55 0.26 0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1x79 h ILE 585 CO -0.40 0.05 -0.63 0.50 0.00 0.00 0.00 178.15 177.68 1x79 h LYS 586 N 0.26 0.23 -0.10 2.37 3.64 -0.10 -1.63 116.57 121.24 1x79 h LYS 586 Ca 0.53 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1x79 h LYS 586 Cb 1.60 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1x79 h LYS 586 CO -0.17 1.19 0.06 0.37 -2.27 0.00 0.00 179.45 178.63 1x79 h GLN 587 N -0.52 0.13 -0.20 1.90 5.75 -0.15 -0.65 115.11 121.36 1x79 h GLN 587 Ca -0.11 -0.01 -0.21 0.00 -0.15 0.00 0.00 58.65 58.18 1x79 h GLN 587 Cb 1.49 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 30.02 1x79 h GLN 587 CO 0.12 0.09 -0.68 0.66 -2.65 0.00 0.00 178.83 176.36 1x79 h SER 588 N 0.13 0.93 -0.60 -0.69 4.64 -1.15 -0.89 113.55 115.93 1x79 h SER 588 Ca 0.04 -0.56 0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1x79 h SER 588 Cb -0.01 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 1x79 h SER 588 CO -0.01 1.36 0.40 -1.28 -0.87 0.00 0.00 176.83 176.42 1x79 h SER 589 N 0.58 0.64 0.08 4.97 0.87 -1.10 -1.28 113.55 118.31 1x79 h SER 589 Ca -0.02 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.26 1x79 h SER 589 Cb 1.30 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1x79 h SER 589 CO 0.14 0.45 -1.04 -0.33 -0.53 0.00 0.00 176.83 175.53 1x79 h GLU 590 N 0.75 0.64 -0.81 2.24 5.08 -0.50 -2.87 114.58 119.10 1x79 h GLU 590 Ca 0.23 -0.70 0.11 0.00 -1.00 0.00 0.00 59.36 58.00 1x79 h GLU 590 Cb 0.00 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1x79 h GLU 590 CO -0.06 1.29 0.53 -0.44 -1.00 0.00 0.00 179.01 179.33 1x79 h ASP 591 N 0.35 0.64 -0.17 1.42 3.32 -0.74 -2.40 116.42 118.84 1x79 h ASP 591 Ca -0.12 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1x79 h ASP 591 Cb 1.69 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1x79 h ASP 591 CO 0.20 0.37 -0.01 0.28 -1.72 0.00 0.00 179.24 178.36 1x79 h SER 592 N 0.70 0.31 -0.27 6.45 0.02 -1.07 -1.78 113.55 117.91 1x79 h SER 592 Ca 0.38 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1x79 h SER 592 Cb 0.52 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 1x79 h SER 592 CO -0.15 0.56 -0.49 0.28 -1.14 0.00 0.00 176.83 175.89 1x79 h SER 593 N 0.05 -1.60 -0.75 3.07 0.02 -1.24 0.69 113.55 113.80 1x79 h SER 593 Ca 0.05 0.20 0.14 0.00 -0.84 0.00 0.00 61.79 61.34 1x79 h SER 593 Cb 0.40 0.64 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 1x79 h SER 593 CO 0.01 -0.38 -0.26 -0.74 -1.14 0.00 0.00 176.83 174.32 1x79 h HIS 594 N -0.41 -0.63 0.36 3.45 6.17 -1.30 0.20 115.15 122.98 1x79 h HIS 594 Ca 0.05 0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1x79 h HIS 594 Cb 0.55 0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.88 1x79 h HIS 594 CO -0.66 -0.36 -0.17 0.37 0.71 0.00 0.00 177.93 177.82 1x79 h GLN 595 N -0.05 -0.47 -0.14 5.26 5.75 -0.30 -1.81 115.11 123.36 1x79 h GLN 595 Ca 0.33 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.89 1x79 h GLN 595 Cb 0.57 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.16 1x79 h GLN 595 CO -0.79 -0.23 -0.52 0.82 -2.65 0.00 0.00 178.83 175.47 1x79 h ILE 596 N -0.63 0.00 -0.96 2.39 1.08 0.10 -1.59 117.51 117.91 1x79 h ILE 596 Ca -0.05 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.66 1x79 h ILE 596 Cb 0.46 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.08 1x79 h ILE 596 CO 0.08 0.00 0.52 0.28 -0.69 0.00 0.00 178.15 178.34 1x79 h SER 597 N -0.55 0.54 0.18 1.72 0.02 -0.44 0.29 113.55 115.30 1x79 h SER 597 Ca 0.03 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1x79 h SER 597 Cb 0.64 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1x79 h SER 597 CO -0.42 0.05 -0.08 0.00 -1.14 0.00 0.00 176.83 175.24 1x79 h ALA 598 N 1.73 -0.24 -0.85 3.77 0.00 -0.70 -1.15 119.26 121.81 1x79 h ALA 598 Ca 0.61 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.54 1x79 h ALA 598 Cb 1.18 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1x79 h ALA 598 CO -0.50 -0.48 0.38 -0.07 0.00 0.00 0.00 179.25 178.58 1x79 h LEU 599 N -0.54 0.35 -0.74 0.00 3.38 -0.07 -0.88 115.31 116.81 1x79 h LEU 599 Ca -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1x79 h LEU 599 Cb 0.41 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1x79 h LEU 599 CO 0.04 0.07 0.32 0.58 0.09 0.00 0.00 178.44 179.54 1x79 h VAL 600 N 0.46 1.25 0.31 1.22 2.07 -0.31 0.34 116.25 121.58 1x79 h VAL 600 Ca 0.50 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1x79 h VAL 600 Cb 0.87 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1x79 h VAL 600 CO -0.47 0.31 -0.15 0.25 0.02 0.00 0.00 177.57 177.53 1x79 h LEU 601 N 1.06 -0.35 -1.19 2.57 5.85 -0.05 -0.48 115.31 122.72 1x79 h LEU 601 Ca 0.25 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1x79 h LEU 601 Cb 0.18 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1x79 h LEU 601 CO -0.02 -0.23 0.58 -0.09 -0.34 0.00 0.00 178.44 178.33 1x79 h ARG 602 N -0.43 0.83 -0.47 1.25 2.43 -1.03 0.39 114.38 117.35 1x79 h ARG 602 Ca -0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1x79 h ARG 602 Cb 0.33 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1x79 h ARG 602 CO 0.07 0.55 0.23 0.00 -1.51 0.00 0.00 179.97 179.31 1x79 h ALA 603 N 1.56 0.61 -0.37 2.80 0.00 -0.21 0.57 119.26 124.22 1x79 h ALA 603 Ca 0.43 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1x79 h ALA 603 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x79 h ALA 603 CO -0.20 0.17 -0.23 1.96 0.00 0.00 0.00 179.25 180.95 1x79 h GLN 604 N 0.62 0.74 -0.33 0.00 4.20 0.54 -0.46 115.11 120.42 1x79 h GLN 604 Ca 0.16 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 58.42 1x79 h GLN 604 Cb 0.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1x79 h GLN 604 CO -0.02 0.90 -0.42 0.00 -0.67 0.00 0.00 178.83 178.62 1x79 h ALA 605 N 1.10 0.63 -0.63 3.87 0.00 -0.77 -2.64 119.26 120.82 1x79 h ALA 605 Ca 0.09 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1x79 h ALA 605 Cb 0.73 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1x79 h ALA 605 CO 0.06 0.67 0.23 0.77 0.00 0.00 0.00 179.25 180.98 1x79 h SER 606 N 0.67 0.22 -0.16 0.00 0.02 -0.43 -1.71 113.55 112.16 1x79 h SER 606 Ca 0.05 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1x79 h SER 606 Cb 0.99 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1x79 h SER 606 CO 0.10 0.13 0.08 -0.08 -1.14 0.00 0.00 176.83 175.91 1x79 h GLU 607 N 0.41 0.23 -0.64 3.45 4.81 -0.85 -0.89 114.58 121.10 1x79 h GLU 607 Ca 0.32 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1x79 h GLU 607 Cb 0.41 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1x79 h GLU 607 CO -0.32 0.25 0.42 0.82 -0.73 0.00 0.00 179.01 179.45 1x79 h ILE 608 N 0.14 0.96 -0.33 2.32 2.04 -1.17 -1.00 117.51 120.47 1x79 h ILE 608 Ca 0.06 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1x79 h ILE 608 Cb 0.10 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1x79 h ILE 608 CO -0.01 0.10 -0.15 0.25 0.00 0.00 0.00 178.15 178.34 1x79 h LEU 609 N 0.56 0.71 -0.87 1.44 6.46 -0.42 -2.62 115.31 120.56 1x79 h LEU 609 Ca 0.29 -0.40 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 1x79 h LEU 609 Cb 0.40 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1x79 h LEU 609 CO -0.09 0.96 -0.22 -0.07 -0.62 0.00 0.00 178.44 178.40 1x79 h LEU 610 N 0.46 0.59 -0.99 2.25 3.38 -0.25 -0.71 115.31 120.05 1x79 h LEU 610 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1x79 h LEU 610 Cb 0.69 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1x79 h LEU 610 CO 0.05 0.80 0.56 -0.08 0.09 0.00 0.00 178.44 179.86 1x79 h GLU 611 N 0.52 1.25 -0.34 1.13 4.81 -1.14 -0.21 114.58 120.60 1x79 h GLU 611 Ca 0.08 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1x79 h GLU 611 Cb 0.66 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1x79 h GLU 611 CO 0.05 0.87 -0.13 0.93 -0.73 0.00 0.00 179.01 180.00 1x79 h GLU 612 N 1.27 0.69 -0.97 1.92 5.08 -0.85 -1.41 114.58 120.32 1x79 h GLU 612 Ca 0.33 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1x79 h GLU 612 Cb -0.06 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1x79 h GLU 612 CO -0.06 0.88 0.63 -0.07 -1.00 0.00 0.00 179.01 179.39 1x79 h LEU 613 N 0.47 1.06 -0.92 1.33 3.38 -0.89 -0.28 115.31 119.46 1x79 h LEU 613 Ca 0.08 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1x79 h LEU 613 Cb 0.65 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1x79 h LEU 613 CO 0.04 0.73 0.58 1.56 0.09 0.00 0.00 178.44 181.45 1x79 h GLN 614 N 1.23 1.04 -0.58 1.13 4.20 -0.43 -0.40 115.11 121.30 1x79 h GLN 614 Ca 0.38 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 1x79 h GLN 614 Cb -0.02 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1x79 h GLN 614 CO -0.12 0.69 -0.01 1.96 -0.67 0.00 0.00 178.83 180.68 1x79 h GLN 615 N 1.07 1.02 -0.51 1.46 4.20 -0.05 -1.75 115.11 120.54 1x79 h GLN 615 Ca 0.39 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1x79 h GLN 615 Cb 0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1x79 h GLN 615 CO -0.17 1.00 0.20 0.78 -0.67 0.00 0.00 178.83 179.98 1x79 h GLY 616 N 0.99 0.83 1.06 3.46 0.00 -0.36 -0.93 103.07 108.12 1x79 h GLY 616 Ca 0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1x79 h GLY 616 CO 0.03 0.43 0.35 1.41 0.00 0.00 0.00 176.54 178.75 1x79 h LEU 617 N 0.69 1.10 -0.55 3.11 3.38 -0.85 -0.74 115.31 121.44 1x79 h LEU 617 Ca 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x79 h LEU 617 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1x79 h LEU 617 CO -0.01 0.96 0.35 0.28 0.09 0.00 0.00 178.44 180.10 1x79 h SER 618 N 1.17 0.65 -0.82 -0.43 0.02 -0.96 0.65 113.55 113.83 1x79 h SER 618 Ca 0.27 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1x79 h SER 618 Cb 0.18 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1x79 h SER 618 CO -0.03 0.49 0.44 -0.61 -1.14 0.00 0.00 176.83 175.99 1x79 h GLN 619 N 0.74 1.16 -0.56 3.45 5.75 -0.53 -1.65 115.11 123.48 1x79 h GLN 619 Ca 0.20 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1x79 h GLN 619 Cb -0.05 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 1x79 h GLN 619 CO -0.04 0.86 -0.03 0.00 -2.65 0.00 0.00 178.83 176.97 1x79 h ALA 620 N 1.32 0.89 -0.48 3.38 0.00 -0.49 -0.49 119.26 123.40 1x79 h ALA 620 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1x79 h ALA 620 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1x79 h ALA 620 CO -0.04 0.65 0.15 -0.22 0.00 0.00 0.00 179.25 179.78 1x79 h LYS 621 N 0.90 0.74 -0.17 0.00 3.64 -0.58 -1.33 116.57 119.77 1x79 h LYS 621 Ca 0.16 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1x79 h LYS 621 Cb 0.57 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1x79 h LYS 621 CO 0.03 0.70 0.01 0.00 -2.27 0.00 0.00 179.45 177.92 1x79 h ARG 622 N 0.64 0.07 -0.54 1.90 3.08 -1.16 -0.89 114.38 117.47 1x79 h ARG 622 Ca 0.15 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.31 1x79 h ARG 622 Cb 0.27 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 1x79 h ARG 622 CO -0.01 0.04 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.31 1x79 h ASP 623 N 0.07 -0.67 -0.82 7.04 5.19 -0.71 0.11 116.42 126.63 1x79 h ASP 623 Ca 0.08 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1x79 h ASP 623 Cb 0.09 0.40 -0.04 0.00 0.18 0.00 0.00 39.33 39.96 1x79 h ASP 623 CO -0.13 -0.22 0.53 0.58 -3.12 0.00 0.00 179.24 176.88 1x79 h VAL 624 N -0.06 1.22 -0.63 -1.35 2.07 -0.86 -0.38 116.25 116.26 1x79 h VAL 624 Ca 0.26 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1x79 h VAL 624 Cb 0.45 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1x79 h VAL 624 CO -0.59 0.21 0.22 1.56 0.02 0.00 0.00 177.57 178.99 1x79 h GLN 625 N 1.11 0.96 -0.28 1.57 4.20 0.21 0.98 115.11 123.87 1x79 h GLN 625 Ca 0.30 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1x79 h GLN 625 Cb -0.10 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.48 1x79 h GLN 625 CO -0.06 0.83 -0.04 1.49 -0.67 0.00 0.00 178.83 180.39 1x79 h GLU 626 N 0.89 0.04 -0.29 1.46 4.81 -0.34 0.93 114.58 122.08 1x79 h GLU 626 Ca 0.20 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1x79 h GLU 626 Cb 0.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1x79 h GLU 626 CO -0.01 0.03 0.14 0.37 -0.73 0.00 0.00 179.01 178.80 1x79 h GLN 627 N 0.04 0.42 0.01 1.92 4.15 -0.61 -2.48 115.11 118.56 1x79 h GLN 627 Ca 0.14 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1x79 h GLN 627 Cb 0.20 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1x79 h GLN 627 CO -0.26 0.40 -0.26 1.98 -1.93 0.00 0.00 178.83 178.75 1x79 h MET 628 N 0.33 -0.40 -0.86 1.69 4.05 -0.47 -2.17 114.93 117.11 1x79 h MET 628 Ca 0.10 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.70 1x79 h MET 628 Cb 0.12 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 1x79 h MET 628 CO -0.01 -0.27 0.56 0.00 0.23 0.00 0.00 176.91 177.42 1x79 h ALA 629 N 0.39 1.95 0.03 0.39 0.00 -0.38 -0.69 119.26 120.95 1x79 h ALA 629 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1x79 h ALA 629 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x79 h ALA 629 CO -0.22 -0.19 -0.42 -0.39 0.00 0.00 0.00 179.25 178.02 1x79 h VAL 630 N 0.58 1.53 -0.37 0.00 -1.51 -1.12 -2.57 116.25 112.80 1x79 h VAL 630 Ca 0.43 -2.13 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1x79 h VAL 630 Cb 0.81 2.87 -0.04 0.00 -2.13 0.00 0.00 31.29 32.80 1x79 h VAL 630 CO -0.18 0.59 -0.22 0.18 -1.23 0.00 0.00 177.57 176.71 1x79 n LEU 631 N -4.37 -0.39 -0.27 4.19 4.77 -0.66 -0.52 117.00 119.75 1x79 n LEU 631 Ca -0.11 0.95 0.07 0.00 -0.03 0.00 0.00 56.01 56.89 1x79 n LEU 631 Cb 0.61 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.68 1x79 n LEU 631 CO 0.42 -0.68 1.01 0.24 -1.33 0.00 0.00 177.39 177.06 1x79 h MET 632 N 0.00 0.41 0.26 3.23 2.86 -1.16 0.13 114.93 120.66 1x79 h MET 632 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1x79 h MET 632 Cb 0.15 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1x79 h MET 632 CO -0.35 0.27 -0.28 1.96 1.06 0.00 0.00 176.91 179.57 1x79 h GLN 633 N 0.42 -0.53 0.00 1.72 4.20 -0.37 -1.42 115.11 119.13 1x79 h GLN 633 Ca 0.45 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1x79 h GLN 633 Cb 0.73 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1x79 h GLN 633 CO -0.44 -0.35 0.00 -1.13 -0.67 0.00 0.00 178.83 176.23 1x79 n SER 634 N -4.08 0.00 -1.08 1.46 3.41 0.01 0.25 113.62 113.58 1x79 n SER 634 Ca -0.07 -1.08 0.11 0.00 -0.26 0.00 0.00 58.87 57.58 1x79 n SER 634 Cb 0.26 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.47 1x79 n SER 634 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1x79 n ARG 635 N -0.50 2.39 -0.10 4.33 0.00 0.42 -4.09 116.66 119.11 1x79 n ARG 635 Ca 0.00 -2.13 -0.18 0.00 -0.00 0.00 0.00 57.85 55.54 1x79 n ARG 635 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 30.89 1x79 n ARG 635 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x79 n GLU 636 N 1.28 0.45 0.27 -0.14 -0.58 0.68 -3.15 120.64 119.45 1x79 n GLU 636 Ca 0.20 0.16 0.15 0.00 -0.42 0.00 0.00 57.16 57.24 1x79 n GLU 636 Cb 0.54 -1.29 0.69 0.00 -0.57 0.00 0.00 31.44 30.81 1x79 n GLU 636 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1x79 h GLN 637 N -0.43 0.00 0.00 3.49 1.08 -1.71 0.72 115.11 118.26 1x79 h GLN 637 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1x79 h GLN 637 Cb 1.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.97 1x79 h GLN 637 CO -0.21 0.00 -0.21 1.33 -0.95 0.00 0.00 178.83 178.79 1x79 n VAL 638 N -3.02 0.40 0.22 -0.54 0.24 -1.26 -4.27 118.33 110.10 1x79 n VAL 638 Ca 0.01 0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 1x79 n VAL 638 Cb 0.54 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 1x79 n VAL 638 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x79 n SER 639 N -2.97 0.04 0.00 -1.34 7.64 -1.10 -5.12 113.62 110.77 1x79 n SER 639 Ca -0.03 -0.26 0.04 0.00 1.01 0.00 0.00 58.87 59.63 1x79 n SER 639 Cb 0.11 -0.02 0.24 0.00 -1.01 0.00 0.00 64.21 63.52 1x79 n SER 639 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19