#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nby s VAL 602 N 0.00 4.09 0.57 3.15 1.01 -1.26 -0.39 120.40 127.58 1nby s VAL 602 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1nby s VAL 602 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1nby s VAL 602 CO 0.00 -0.10 1.06 -0.36 0.00 0.00 0.00 175.10 175.69 1nby s PHE 603 N 1.48 2.98 0.41 5.22 0.40 0.39 -4.99 117.98 123.89 1nby s PHE 603 Ca 0.01 1.52 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1nby s PHE 603 Cb -0.19 -3.03 -0.06 0.00 0.51 0.00 0.00 43.02 40.26 1nby s PHE 603 CO 0.04 -1.08 0.75 0.20 0.70 0.00 0.00 175.22 175.84 1nby s GLY 604 N -2.62 1.82 0.10 4.36 0.00 -1.26 -4.81 107.32 104.91 1nby s GLY 604 Ca 0.64 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 1nby s GLY 604 CO 0.34 -0.14 1.62 -0.09 0.00 0.00 0.00 173.10 174.83 1nby h ARG 605 N 1.02 -0.63 -0.32 2.90 2.43 -1.97 -0.70 114.38 117.10 1nby h ARG 605 Ca -0.47 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 1nby h ARG 605 Cb 1.19 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1nby h ARG 605 CO 0.63 -0.42 -0.12 0.00 -1.51 0.00 0.00 179.97 178.55 1nby h GLU 607 N 0.51 1.13 -0.24 0.00 4.81 -1.89 -0.90 114.58 118.00 1nby h GLU 607 Ca 0.09 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1nby h GLU 607 Cb 0.52 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1nby h GLU 607 CO 0.03 0.77 -0.48 1.25 -0.73 0.00 0.00 179.01 179.85 1nby h LEU 608 N 1.15 0.85 -0.82 1.64 5.85 -0.72 -2.30 115.31 120.97 1nby h LEU 608 Ca 0.31 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1nby h LEU 608 Cb -0.09 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.63 1nby h LEU 608 CO -0.06 1.23 0.48 0.00 -0.34 0.00 0.00 178.44 179.75 1nby h ALA 609 N 0.64 1.14 -0.51 1.25 0.00 -0.75 0.42 119.26 121.45 1nby h ALA 609 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1nby h ALA 609 Cb 1.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nby h ALA 609 CO 0.11 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 179.34 1nby h ALA 610 N 1.42 0.71 -0.27 0.00 0.00 -1.12 -1.11 119.26 118.89 1nby h ALA 610 Ca 0.38 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1nby h ALA 610 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nby h ALA 610 CO -0.21 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 1nby h ALA 611 N 0.89 0.38 -0.34 0.00 0.00 -0.72 -0.81 119.26 118.66 1nby h ALA 611 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1nby h ALA 611 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nby h ALA 611 CO 0.06 0.21 0.09 0.52 0.00 0.00 0.00 179.25 180.13 1nby h MET 612 N 0.29 0.49 -0.41 0.00 2.86 -0.12 0.65 114.93 118.71 1nby h MET 612 Ca 0.07 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1nby h MET 612 Cb 0.57 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1nby h MET 612 CO 0.03 0.46 -0.11 -0.22 1.06 0.00 0.00 176.91 178.13 1nby h LYS 613 N 0.49 0.79 -0.08 1.72 3.64 -0.94 -1.65 116.57 120.54 1nby h LYS 613 Ca 0.12 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1nby h LYS 613 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1nby h LYS 613 CO -0.00 0.92 -0.18 0.00 -2.27 0.00 0.00 179.45 177.91 1nby h ARG 614 N 0.61 0.12 -0.55 1.90 3.08 -0.33 -2.23 114.38 116.97 1nby h ARG 614 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1nby h ARG 614 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1nby h ARG 614 CO 0.04 0.31 0.00 0.72 -1.07 0.00 0.00 179.97 179.97 1nby n HIS 615 N -4.26 0.58 -1.04 3.04 8.25 0.15 -4.93 115.22 117.00 1nby n HIS 615 Ca -0.01 -0.23 -0.01 0.00 -0.26 0.00 0.00 57.72 57.20 1nby n HIS 615 Cb 0.28 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1nby n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nby n GLY 616 N 0.60 0.50 0.14 -1.41 0.00 -0.84 -4.96 105.19 99.23 1nby n GLY 616 Ca 0.10 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1nby n GLY 616 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nby n LEU 617 N -0.14 0.73 -4.58 0.99 4.77 -0.68 -4.30 117.00 113.78 1nby n LEU 617 Ca -0.01 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 1nby n LEU 617 Cb 0.05 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1nby n LEU 617 CO 0.02 0.14 1.19 -0.62 -1.33 0.00 0.00 177.39 176.79 1nby s ASP 618 N -2.65 6.28 -0.53 -1.43 3.68 -1.26 -3.31 116.67 117.45 1nby s ASP 618 Ca 0.21 0.30 -0.01 0.00 2.13 0.00 0.00 52.55 55.19 1nby s ASP 618 Cb 0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 1nby s ASP 618 CO 0.56 -1.58 0.10 -3.20 0.13 0.00 0.00 175.17 171.17 1nby n ASN 619 N 9.04 -2.77 -4.70 -0.34 5.15 0.86 -4.85 115.26 117.65 1nby n ASN 619 Ca 0.12 -0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 1nby n ASN 619 Cb 0.49 -1.91 -0.04 0.00 -0.53 0.00 0.00 39.78 37.80 1nby n ASN 619 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1nby s TYR 620 N -2.53 3.56 -1.39 1.20 5.04 -1.09 -3.84 117.35 118.30 1nby s TYR 620 Ca 0.05 1.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 1nby s TYR 620 Cb -0.02 -2.99 0.14 0.00 0.35 0.00 0.00 41.96 39.44 1nby s TYR 620 CO 0.06 -0.05 0.52 0.54 -1.34 0.00 0.00 175.55 175.28 1nby n ARG 621 N 4.28 -2.38 -0.57 4.97 5.12 -1.26 -0.95 116.66 125.87 1nby n ARG 621 Ca 0.03 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1nby n ARG 621 Cb 0.50 -4.91 0.00 0.00 -1.16 0.00 0.00 32.46 26.90 1nby n ARG 621 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nby n GLY 622 N -1.08 0.78 3.59 -0.13 0.00 -1.25 -5.05 105.19 102.06 1nby n GLY 622 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1nby n GLY 622 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nby s TYR 623 N -3.12 3.23 0.73 1.61 2.02 -0.13 -4.94 117.35 116.76 1nby s TYR 623 Ca 0.00 0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 1nby s TYR 623 Cb 0.00 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1nby s TYR 623 CO 0.00 -0.16 1.10 -1.54 -1.57 0.00 0.00 175.55 173.38 1nby s SER 624 N 1.72 4.69 0.39 2.29 1.04 -1.26 -0.10 113.70 122.47 1nby s SER 624 Ca 0.08 1.92 0.13 0.00 0.48 0.00 0.00 55.95 58.57 1nby s SER 624 Cb -0.16 -2.54 0.95 0.00 0.10 0.00 0.00 66.02 64.38 1nby s SER 624 CO 0.11 -1.91 1.87 0.25 0.98 0.00 0.00 173.24 174.54 1nby h LEU 625 N -0.65 0.52 -1.13 2.42 5.85 -1.89 -2.32 115.31 118.11 1nby h LEU 625 Ca -0.45 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.48 1nby h LEU 625 Cb 1.24 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 1nby h LEU 625 CO 0.52 0.24 0.61 1.23 -0.34 0.00 0.00 178.44 180.71 1nby h GLY 626 N 0.54 1.53 0.70 3.75 0.00 -1.91 -1.66 103.07 106.02 1nby h GLY 626 Ca 0.44 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1nby h GLY 626 CO -0.18 0.01 0.37 3.43 0.00 0.00 0.00 176.54 180.16 1nby h ASN 627 N 0.74 0.55 0.14 0.19 2.35 -1.63 -1.10 115.58 116.82 1nby h ASN 627 Ca 0.53 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 56.15 1nby h ASN 627 Cb 0.84 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1nby h ASN 627 CO -0.30 0.36 -0.58 -0.50 -1.65 0.00 0.00 177.43 174.76 1nby h TRP 628 N 0.68 0.57 -0.11 1.19 4.06 -1.46 -0.14 115.95 120.74 1nby h TRP 628 Ca 0.29 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 1nby h TRP 628 Cb 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1nby h TRP 628 CO -0.08 0.92 -0.17 0.28 -3.56 0.00 0.00 178.44 175.83 1nby h VAL 629 N 0.34 1.38 -0.74 1.49 2.07 -1.28 -0.71 116.25 118.79 1nby h VAL 629 Ca 0.00 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1nby h VAL 629 Cb 1.11 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1nby h VAL 629 CO 0.10 0.41 0.47 0.00 0.02 0.00 0.00 177.57 178.57 1nby h ALA 631 N 1.25 0.53 -0.80 0.00 0.00 -0.93 -2.02 119.26 117.30 1nby h ALA 631 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nby h ALA 631 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1nby h ALA 631 CO -0.05 0.13 0.43 0.00 0.00 0.00 0.00 179.25 179.76 1nby h ALA 632 N 1.01 1.26 0.03 0.00 0.00 -0.73 -0.18 119.26 120.65 1nby h ALA 632 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nby h ALA 632 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nby h ALA 632 CO -0.01 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.60 1nby h LYS 633 N 1.12 -0.04 0.00 0.00 3.11 -0.68 -1.19 116.57 118.89 1nby h LYS 633 Ca 0.28 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.02 1nby h LYS 633 Cb 0.03 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 1nby h LYS 633 CO -0.04 -0.01 -0.47 0.74 -2.81 0.00 0.00 179.45 176.85 1nby h PHE 634 N -0.05 0.00 0.12 1.91 0.04 -1.13 -0.67 116.94 117.16 1nby h PHE 634 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1nby h PHE 634 Cb 0.04 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.22 1nby h PHE 634 CO -0.07 0.47 -0.90 0.93 -0.60 0.00 0.00 178.31 178.14 1nby h GLU 635 N 0.00 0.40 0.00 1.51 4.39 -0.91 -3.43 114.58 116.54 1nby h GLU 635 Ca -0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1nby h GLU 635 Cb 1.12 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1nby h GLU 635 CO 0.06 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1nby n SER 636 N -4.06 0.00 -3.10 1.42 3.41 -0.47 -4.83 113.62 105.99 1nby n SER 636 Ca -0.13 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.25 1nby n SER 636 Cb 0.84 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1nby n SER 636 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nby n ASN 637 N 0.00 -5.70 -1.63 4.04 3.02 -0.26 -1.76 115.26 112.98 1nby n ASN 637 Ca 0.00 -0.31 -0.16 0.00 -0.03 0.00 0.00 54.58 54.08 1nby n ASN 637 Cb 0.43 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 34.96 1nby n ASN 637 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1nby n PHE 638 N -4.43 -0.49 -3.54 3.10 3.72 -1.19 -4.77 117.46 109.87 1nby n PHE 638 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 1nby n PHE 638 Cb 0.60 -3.13 -0.11 0.00 -0.94 0.00 0.00 39.48 35.91 1nby n PHE 638 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1nby s ASN 639 N -2.47 5.94 0.53 4.37 2.47 -0.72 -0.46 114.94 124.59 1nby s ASN 639 Ca 0.00 -0.72 0.26 0.00 0.42 0.00 0.00 52.86 52.82 1nby s ASN 639 Cb 0.00 -2.10 1.47 0.00 -1.45 0.00 0.00 41.25 39.17 1nby s ASN 639 CO 0.00 -0.34 2.10 0.71 -3.72 0.00 0.00 177.10 175.85 1nby h THR 640 N 5.64 0.63 -0.31 -5.21 1.35 -1.04 -2.60 112.91 111.37 1nby h THR 640 Ca -0.29 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1nby h THR 640 Cb 1.13 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1nby h THR 640 CO 0.67 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 1nby n GLN 641 N -3.77 2.02 -1.80 4.72 6.02 -1.26 -3.95 117.38 119.37 1nby n GLN 641 Ca -0.02 -1.56 -0.41 0.00 -0.01 0.00 0.00 57.00 55.00 1nby n GLN 641 Cb 0.21 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 1nby n GLN 641 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nby s ALA 642 N -1.60 3.68 0.01 -1.58 0.00 -0.98 -4.79 121.76 116.51 1nby s ALA 642 Ca 0.33 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1nby s ALA 642 Cb 0.18 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1nby s ALA 642 CO 0.26 -1.00 -0.02 0.95 0.00 0.00 0.00 175.76 175.95 1nby s THR 643 N -0.39 0.10 -0.06 0.00 -4.23 -1.26 -0.97 115.64 108.84 1nby s THR 643 Ca 0.59 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 1nby s THR 643 Cb -0.47 -0.20 0.04 0.00 1.34 0.00 0.00 72.50 73.21 1nby s THR 643 CO 0.53 -0.32 0.10 0.21 -0.54 0.00 0.00 174.62 174.60 1nby s ASN 644 N -0.97 0.92 0.05 3.99 2.47 -0.74 -4.96 114.94 115.70 1nby s ASN 644 Ca -0.10 0.19 -0.21 0.00 0.42 0.00 0.00 52.86 53.16 1nby s ASN 644 Cb -0.07 0.04 -0.06 0.00 -1.45 0.00 0.00 41.25 39.71 1nby s ASN 644 CO -0.01 -0.24 0.62 0.00 -3.72 0.00 0.00 177.10 173.76 1nby s ARG 645 N 2.16 4.32 0.34 0.43 1.70 -1.26 -0.11 118.95 126.53 1nby s ARG 645 Ca 0.03 0.81 0.07 0.00 -0.47 0.00 0.00 55.73 56.18 1nby s ARG 645 Cb -0.12 -3.30 -0.02 0.00 -0.57 0.00 0.00 34.95 30.94 1nby s ARG 645 CO -0.04 0.47 0.38 -0.80 -1.08 0.00 0.00 175.30 174.24 1nby s ASN 646 N -0.59 5.62 0.51 -2.89 0.01 0.93 -4.98 114.94 113.55 1nby s ASN 646 Ca 0.32 -0.35 0.24 0.00 -0.71 0.00 0.00 52.86 52.36 1nby s ASN 646 Cb -0.19 -1.09 1.37 0.00 0.41 0.00 0.00 41.25 41.75 1nby s ASN 646 CO 0.19 -0.40 2.07 0.74 -1.51 0.00 0.00 177.10 178.19 1nby h THR 647 N 1.06 0.71 -0.24 1.60 2.02 -1.98 -2.75 112.91 113.34 1nby h THR 647 Ca -0.45 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1nby h THR 647 Cb 1.26 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1nby h THR 647 CO 0.55 0.12 0.00 -0.90 0.37 0.00 0.00 175.52 175.66 1nby n ASP 648 N -3.85 1.42 0.00 4.18 5.68 -1.26 -4.88 116.55 117.84 1nby n ASP 648 Ca -0.02 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1nby n ASP 648 Cb 0.22 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1nby n ASP 648 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nby n GLY 649 N 0.96 0.75 3.98 6.12 0.00 -1.04 -4.77 105.19 111.20 1nby n GLY 649 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1nby n GLY 649 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nby s SER 650 N -2.52 6.02 0.01 1.61 1.04 -1.26 -4.66 113.70 113.94 1nby s SER 650 Ca 0.00 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1nby s SER 650 Cb 0.00 -1.39 -0.01 0.00 0.10 0.00 0.00 66.02 64.72 1nby s SER 650 CO 0.00 -0.41 -0.06 -0.89 0.98 0.00 0.00 173.24 172.86 1nby s THR 651 N -2.20 0.46 -0.04 2.02 2.01 -1.26 -0.05 115.64 116.59 1nby s THR 651 Ca 0.44 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 1nby s THR 651 Cb -0.09 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1nby s THR 651 CO 0.32 -0.01 0.45 -1.81 -0.69 0.00 0.00 174.62 172.88 1nby s ASP 652 N -0.51 6.78 -0.03 3.53 1.01 0.84 -1.46 116.67 126.82 1nby s ASP 652 Ca -0.01 0.93 0.05 0.00 0.71 0.00 0.00 52.55 54.23 1nby s ASP 652 Cb -0.04 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 1nby s ASP 652 CO -0.00 0.19 -0.18 -0.31 0.21 0.00 0.00 175.17 175.08 1nby s TYR 653 N -0.40 1.76 0.00 4.23 1.51 0.57 -1.80 117.35 123.22 1nby s TYR 653 Ca 0.25 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1nby s TYR 653 Cb -0.16 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1nby s TYR 653 CO 0.13 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1nby n GLY 654 N 2.95 -2.28 0.33 0.71 0.00 -0.14 -0.99 105.19 105.76 1nby n GLY 654 Ca -0.17 -1.55 0.17 0.00 0.00 0.00 0.00 46.02 44.47 1nby n GLY 654 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nby h ILE 655 N 0.00 0.37 -0.13 -0.61 2.10 -1.68 -0.83 117.51 116.74 1nby h ILE 655 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1nby h ILE 655 Cb 0.00 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1nby h ILE 655 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1nby n LEU 656 N -3.63 2.72 -3.88 2.19 4.77 -1.26 -4.12 117.00 113.79 1nby n LEU 656 Ca -0.01 -2.56 -0.35 0.00 -0.03 0.00 0.00 56.01 53.06 1nby n LEU 656 Cb 0.21 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1nby n LEU 656 CO 0.25 0.65 -0.17 0.00 -1.33 0.00 0.00 177.39 176.79 1nby n GLN 657 N -0.58 -0.89 -3.04 3.23 1.13 -0.32 -4.92 117.38 111.98 1nby n GLN 657 Ca 0.12 0.44 -0.40 0.00 -1.94 0.00 0.00 57.00 55.22 1nby n GLN 657 Cb 0.55 -2.72 -0.05 0.00 0.11 0.00 0.00 30.24 28.13 1nby n GLN 657 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nby s ILE 658 N -3.29 4.96 0.26 5.09 1.01 -0.16 -4.44 121.20 124.63 1nby s ILE 658 Ca 0.28 1.48 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 1nby s ILE 658 Cb -0.15 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1nby s ILE 658 CO 0.92 0.29 1.16 0.21 0.00 0.00 0.00 174.94 177.53 1nby s ASN 659 N 0.51 7.14 0.00 3.58 3.84 -1.26 -0.32 114.94 128.42 1nby s ASN 659 Ca 0.37 2.33 0.30 0.00 0.21 0.00 0.00 52.86 56.07 1nby s ASN 659 Cb -0.18 -2.62 1.39 0.00 -0.55 0.00 0.00 41.25 39.29 1nby s ASN 659 CO 0.19 -0.27 1.95 -1.54 -2.79 0.00 0.00 177.10 174.64 1nby n SER 660 N 1.51 0.49 0.04 -4.21 3.41 -0.54 -1.74 113.62 112.60 1nby n SER 660 Ca 0.01 -0.82 -0.17 0.00 -0.26 0.00 0.00 58.87 57.63 1nby n SER 660 Cb 0.44 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.20 1nby n SER 660 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1nby h ARG 661 N 0.69 0.22 0.00 4.33 1.12 -1.85 -3.41 114.38 115.48 1nby h ARG 661 Ca 0.00 -0.38 -0.19 0.00 -1.11 0.00 0.00 59.98 58.30 1nby h ARG 661 Cb 0.28 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.35 1nby h ARG 661 CO 0.00 1.06 -1.68 0.91 -3.11 0.00 0.00 179.97 177.15 1nby n TRP 662 N -3.41 0.00 -0.05 2.20 7.02 -1.24 -1.49 117.44 120.48 1nby n TRP 662 Ca -0.19 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.18 1nby n TRP 662 Cb 1.05 -0.45 -0.14 0.00 -2.42 0.00 0.00 31.31 29.34 1nby n TRP 662 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1nby n TRP 663 N -3.23 0.70 -4.17 -5.99 7.02 -0.71 0.52 117.44 111.59 1nby n TRP 663 Ca -0.23 0.23 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1nby n TRP 663 Cb 0.70 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 28.36 1nby n TRP 663 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nby s ASN 665 N -3.07 4.49 0.00 0.00 2.47 -0.09 -4.42 114.94 114.32 1nby s ASN 665 Ca 0.21 -0.30 0.15 0.00 0.42 0.00 0.00 52.86 53.33 1nby s ASN 665 Cb 0.07 -1.76 0.34 0.00 -1.45 0.00 0.00 41.25 38.45 1nby s ASN 665 CO 0.00 0.04 1.25 -0.90 -3.72 0.00 0.00 177.10 173.77 1nby n ASP 666 N 4.40 3.00 -0.03 -4.21 5.68 -1.26 -1.20 116.55 122.92 1nby n ASP 666 Ca -0.18 -1.90 -0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1nby n ASP 666 Cb 0.51 -0.23 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1nby n ASP 666 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nby n GLY 667 N 0.91 0.36 1.83 6.12 0.00 -1.26 -4.81 105.19 108.35 1nby n GLY 667 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1nby n GLY 667 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nby n ARG 668 N -1.69 0.67 -4.34 1.61 1.85 -1.26 -5.09 116.66 108.41 1nby n ARG 668 Ca -0.00 -1.33 -0.32 0.00 -1.00 0.00 0.00 57.85 55.19 1nby n ARG 668 Cb 0.18 0.29 -0.16 0.00 -1.05 0.00 0.00 32.46 31.71 1nby n ARG 668 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1nby s THR 669 N -0.20 1.98 0.15 8.89 2.01 -1.26 -4.96 115.64 122.25 1nby s THR 669 Ca 0.08 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1nby s THR 669 Cb 0.23 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.89 1nby s THR 669 CO -0.07 0.53 1.25 -2.16 -0.69 0.00 0.00 174.62 173.49 1nby s PRO 670 N 1.11 4.43 0.00 4.92 0.04 -1.26 -3.13 135.00 141.10 1nby s PRO 670 Ca -0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1nby s PRO 670 Cb -0.14 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1nby s PRO 670 CO -0.08 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1nby n GLY 671 N 2.64 0.59 3.68 0.56 0.00 -1.26 -4.93 105.19 106.48 1nby n GLY 671 Ca 0.07 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 1nby n GLY 671 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nby n SER 672 N 0.77 3.49 -0.05 1.61 2.88 -1.19 -4.76 113.62 116.39 1nby n SER 672 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1nby n SER 672 Cb 0.00 -1.42 -0.13 0.00 -0.75 0.00 0.00 64.21 61.90 1nby n SER 672 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nby n ARG 673 N 5.67 0.94 -4.04 -1.46 1.74 -0.56 -5.01 116.66 113.93 1nby n ARG 673 Ca 0.20 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.90 1nby n ARG 673 Cb 0.31 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1nby n ARG 673 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nby n ASN 674 N -2.37 -0.90 0.05 0.55 5.15 -0.86 -4.85 115.26 112.03 1nby n ASN 674 Ca -0.15 -1.12 0.14 0.00 -0.60 0.00 0.00 54.58 52.84 1nby n ASN 674 Cb 0.76 -2.52 0.61 0.00 -0.53 0.00 0.00 39.78 38.09 1nby n ASN 674 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1nby h LEU 675 N -1.92 0.13 -0.67 1.20 3.38 0.05 0.27 115.31 117.75 1nby h LEU 675 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1nby h LEU 675 Cb 1.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1nby h LEU 675 CO 0.62 0.08 -0.12 0.00 0.09 0.00 0.00 178.44 179.11 1nby n ASN 677 N -0.31 -4.25 -3.75 0.00 4.13 0.08 -4.98 115.26 106.18 1nby n ASN 677 Ca 0.16 -0.97 -0.13 0.00 1.68 0.00 0.00 54.58 55.31 1nby n ASN 677 Cb 0.34 -3.53 -0.09 0.00 -1.54 0.00 0.00 39.78 34.96 1nby n ASN 677 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1nby s ILE 678 N -3.55 0.04 0.28 2.41 1.10 -1.26 -5.06 121.20 115.16 1nby s ILE 678 Ca 0.36 -0.35 -0.29 0.00 -0.51 0.00 0.00 60.65 59.86 1nby s ILE 678 Cb -0.12 -0.60 -0.09 0.00 0.15 0.00 0.00 42.46 41.79 1nby s ILE 678 CO 0.85 -0.19 1.03 -2.16 -2.11 0.00 0.00 174.94 172.36 1nby s PRO 679 N -0.99 4.67 0.51 3.50 0.04 -1.26 -0.92 135.00 140.56 1nby s PRO 679 Ca -0.10 1.65 0.22 0.00 0.04 0.00 0.00 61.00 62.81 1nby s PRO 679 Cb -0.04 -3.15 1.32 0.00 0.04 0.00 0.00 34.50 32.67 1nby s PRO 679 CO 0.04 0.29 2.02 0.00 0.04 0.00 0.00 177.00 179.38 1nby h SER 681 N 0.07 0.00 0.72 0.00 4.64 -1.91 0.24 113.55 117.31 1nby h SER 681 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1nby h SER 681 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1nby h SER 681 CO -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.87 1nby h ALA 682 N 1.92 1.07 -0.11 5.18 0.00 -1.39 -2.51 119.26 123.42 1nby h ALA 682 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nby h ALA 682 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nby h ALA 682 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1nby n LEU 683 N -3.27 1.15 -0.57 0.00 4.77 0.83 -3.68 117.00 116.23 1nby n LEU 683 Ca -0.01 -0.47 0.05 0.00 -0.03 0.00 0.00 56.01 55.55 1nby n LEU 683 Cb 0.29 -0.07 0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1nby n LEU 683 CO 0.28 0.24 0.62 0.18 -1.33 0.00 0.00 177.39 177.38 1nby n LEU 684 N -0.02 2.87 -4.83 2.23 4.77 -0.94 -3.40 117.00 117.67 1nby n LEU 684 Ca 0.16 -2.07 -0.31 0.00 -0.03 0.00 0.00 56.01 53.76 1nby n LEU 684 Cb 0.25 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1nby n LEU 684 CO 0.13 0.70 0.71 -0.55 -1.33 0.00 0.00 177.39 177.05 1nby s SER 685 N -1.07 5.42 0.30 -1.43 0.15 -1.24 -4.34 113.70 111.48 1nby s SER 685 Ca 0.22 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.65 1nby s SER 685 Cb 0.12 -2.41 0.84 0.00 -1.71 0.00 0.00 66.02 62.86 1nby s SER 685 CO 0.13 -1.41 1.76 0.77 1.20 0.00 0.00 173.24 175.69 1nby h SER 686 N -0.69 0.00 -3.55 5.45 4.64 -1.94 -3.41 113.55 114.05 1nby h SER 686 Ca -0.44 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 1nby h SER 686 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 1nby h SER 686 CO 0.58 0.00 0.10 -0.62 -0.87 0.00 0.00 176.83 176.03 1nby s ASP 687 N -4.89 6.46 0.00 4.97 3.68 -1.26 -4.95 116.67 120.68 1nby s ASP 687 Ca 0.07 0.38 0.29 0.00 2.13 0.00 0.00 52.55 55.42 1nby s ASP 687 Cb 0.10 -2.32 1.69 0.00 -1.45 0.00 0.00 42.92 40.94 1nby s ASP 687 CO 0.55 -0.46 2.05 2.30 0.13 0.00 0.00 175.17 179.74 1nby n ILE 688 N 5.37 0.01 -0.29 4.11 -5.35 -1.26 -4.33 119.36 117.62 1nby n ILE 688 Ca -0.02 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1nby n ILE 688 Cb 0.49 -0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 37.83 1nby n ILE 688 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1nby h THR 689 N 0.00 0.07 -0.59 7.28 2.02 -1.94 -0.84 112.91 118.91 1nby h THR 689 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1nby h THR 689 Cb 0.02 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1nby h THR 689 CO 0.00 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.06 1nby h ALA 690 N 0.98 0.77 -0.74 6.16 0.00 -1.82 -1.50 119.26 123.11 1nby h ALA 690 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1nby h ALA 690 Cb 0.56 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nby h ALA 690 CO -0.82 0.46 0.28 0.77 0.00 0.00 0.00 179.25 179.93 1nby h SER 691 N 0.84 1.05 -0.30 0.00 0.02 -1.59 -1.49 113.55 112.08 1nby h SER 691 Ca 0.19 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1nby h SER 691 Cb 0.32 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1nby h SER 691 CO -0.00 0.95 -0.17 0.58 -1.14 0.00 0.00 176.83 177.05 1nby h VAL 692 N 1.08 1.30 -0.59 2.27 2.07 -1.05 0.13 116.25 121.46 1nby h VAL 692 Ca 0.25 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.57 1nby h VAL 692 Cb 0.25 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1nby h VAL 692 CO -0.02 0.41 0.25 0.78 0.02 0.00 0.00 177.57 179.02 1nby h ASN 693 N 0.39 0.30 -0.39 0.57 -0.26 -1.06 0.24 115.58 115.37 1nby h ASN 693 Ca 0.06 0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.80 1nby h ASN 693 Cb 0.70 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.96 1nby h ASN 693 CO 0.05 0.19 -0.02 0.00 -1.06 0.00 0.00 177.43 176.58 1nby h ALA 695 N 0.87 1.42 0.00 0.00 0.00 -0.08 0.34 119.26 121.81 1nby h ALA 695 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nby h ALA 695 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nby h ALA 695 CO 0.03 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 1nby h ALA 696 N 1.50 1.40 0.12 0.00 0.00 -0.36 -0.76 119.26 121.16 1nby h ALA 696 Ca 0.24 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1nby h ALA 696 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nby h ALA 696 CO -0.04 0.24 -1.26 -0.22 0.00 0.00 0.00 179.25 177.97 1nby h LYS 697 N 0.00 0.25 -0.33 0.00 3.64 -0.97 -3.23 116.57 115.93 1nby h LYS 697 Ca -0.00 -0.44 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1nby h LYS 697 Cb 0.42 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1nby h LYS 697 CO 0.03 1.21 0.03 0.82 -2.27 0.00 0.00 179.45 179.26 1nby h ILE 698 N -0.33 0.79 0.00 2.00 2.04 -0.71 -1.56 117.51 119.74 1nby h ILE 698 Ca -0.26 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1nby h ILE 698 Cb 1.73 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1nby h ILE 698 CO 0.08 0.02 0.00 0.55 0.00 0.00 0.00 178.15 178.80 1nby n VAL 699 N -5.14 0.79 1.45 1.67 3.14 -0.31 -2.14 118.33 117.79 1nby n VAL 699 Ca 0.01 0.20 0.14 0.00 -2.96 0.00 0.00 64.34 61.73 1nby n VAL 699 Cb 0.16 -0.94 0.61 0.00 -1.06 0.00 0.00 33.84 32.61 1nby n VAL 699 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1nby n SER 700 N -1.40 0.56 -4.88 6.55 7.64 -0.59 -4.16 113.62 117.34 1nby n SER 700 Ca 0.05 -0.71 -0.30 0.00 1.01 0.00 0.00 58.87 58.92 1nby n SER 700 Cb 0.15 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1nby n SER 700 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1nby s ASP 701 N -2.40 5.84 0.54 6.43 2.15 -0.91 -4.95 116.67 123.38 1nby s ASP 701 Ca 0.31 1.24 0.23 0.00 0.43 0.00 0.00 52.55 54.77 1nby s ASP 701 Cb 0.20 -2.18 1.43 0.00 -0.30 0.00 0.00 42.92 42.07 1nby s ASP 701 CO 0.46 -1.09 2.08 1.23 -0.17 0.00 0.00 175.17 177.67 1nby h GLY 702 N -0.46 0.00 2.00 2.66 0.00 -1.89 -1.05 103.07 104.34 1nby h GLY 702 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1nby h GLY 702 CO 0.63 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.87 1nby n ASN 703 N -4.27 0.59 0.00 0.19 4.13 -1.26 -4.95 115.26 109.69 1nby n ASN 703 Ca 0.03 0.65 0.00 0.00 1.68 0.00 0.00 54.58 56.95 1nby n ASN 703 Cb 0.36 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1nby n ASN 703 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nby n GLY 704 N -0.07 2.30 0.00 7.41 0.00 -0.40 -1.42 105.19 113.00 1nby n GLY 704 Ca 0.02 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1nby n GLY 704 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nby n MET 705 N 12.70 0.36 0.00 1.61 2.81 -1.26 -2.81 117.12 130.53 1nby n MET 705 Ca 0.00 0.08 0.05 0.00 -1.81 0.00 0.00 57.70 56.02 1nby n MET 705 Cb 0.00 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.29 1nby n MET 705 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1nby n ASN 706 N -1.19 0.00 0.17 7.83 3.02 -0.51 -1.40 115.26 123.18 1nby n ASN 706 Ca 0.10 0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1nby n ASN 706 Cb 0.11 -0.21 0.38 0.00 -0.61 0.00 0.00 39.78 39.45 1nby n ASN 706 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nby h ALA 707 N 2.54 1.44 -2.08 5.41 0.00 -1.68 -3.38 119.26 121.52 1nby h ALA 707 Ca 0.00 -0.29 -0.70 0.00 0.00 0.00 0.00 54.91 53.92 1nby h ALA 707 Cb 0.07 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.60 1nby h ALA 707 CO 0.00 0.41 -0.02 -1.58 0.00 0.00 0.00 179.25 178.05 1nby s TRP 708 N -4.38 3.09 0.23 0.00 0.51 -0.50 -4.94 118.94 112.95 1nby s TRP 708 Ca -0.04 -0.78 -0.06 0.00 -2.12 0.00 0.00 56.10 53.10 1nby s TRP 708 Cb 0.15 -3.62 0.35 0.00 -0.81 0.00 0.00 33.47 29.54 1nby s TRP 708 CO 0.73 -1.06 1.80 -0.39 -0.51 0.00 0.00 176.95 177.52 1nby h VAL 709 N 5.86 0.91 -0.74 4.03 -1.51 -1.85 -0.79 116.25 122.17 1nby h VAL 709 Ca -0.28 -0.25 0.08 0.00 -1.23 0.00 0.00 66.70 65.02 1nby h VAL 709 Cb 1.10 0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 30.33 1nby h VAL 709 CO 0.99 0.13 0.48 0.00 -1.23 0.00 0.00 177.57 177.95 1nby h ALA 710 N 1.43 1.76 -0.12 5.19 0.00 -1.95 -0.85 119.26 124.72 1nby h ALA 710 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1nby h ALA 710 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nby h ALA 710 CO -0.24 0.11 0.00 2.35 0.00 0.00 0.00 179.25 181.47 1nby h TRP 711 N 0.71 0.22 -0.27 0.00 7.01 -1.49 0.62 115.95 122.75 1nby h TRP 711 Ca 0.33 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.34 1nby h TRP 711 Cb 0.36 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 1nby h TRP 711 CO -0.00 0.44 0.00 0.00 -2.79 0.00 0.00 178.44 176.09 1nby h ARG 712 N -0.06 0.08 -0.25 2.65 3.08 -0.70 0.49 114.38 119.67 1nby h ARG 712 Ca 0.03 -0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 1nby h ARG 712 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1nby h ARG 712 CO 0.01 0.05 -0.57 -0.91 -1.07 0.00 0.00 179.97 177.48 1nby h ASN 713 N 0.08 0.88 0.00 7.04 -0.26 -1.16 -3.33 115.58 118.84 1nby h ASN 713 Ca 0.13 -0.48 0.00 0.00 -0.56 0.00 0.00 56.30 55.39 1nby h ASN 713 Cb 0.17 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1nby h ASN 713 CO -0.22 1.26 -0.61 0.54 -1.06 0.00 0.00 177.43 177.34 1nby n ARG 714 N -3.99 3.16 0.00 0.81 3.00 0.21 -4.86 116.66 114.99 1nby n ARG 714 Ca -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 1nby n ARG 714 Cb 0.63 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1nby n ARG 714 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nby n LYS 716 N -2.39 1.28 -0.06 0.00 4.81 0.48 -1.50 118.16 120.77 1nby n LYS 716 Ca 0.00 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1nby n LYS 716 Cb 0.38 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1nby n LYS 716 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nby n GLY 717 N 4.84 1.16 2.76 3.14 0.00 -1.26 -4.95 105.19 110.86 1nby n GLY 717 Ca 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 1nby n GLY 717 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nby n THR 718 N -2.00 0.00 -1.78 2.61 -2.24 -0.56 -4.94 114.28 105.37 1nby n THR 718 Ca 0.00 -1.03 -0.41 0.00 -2.27 0.00 0.00 64.05 60.34 1nby n THR 718 Cb 0.00 -1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 67.05 1nby n THR 718 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nby n ASP 719 N -3.08 6.24 0.05 3.42 2.03 -1.26 -4.75 116.55 119.21 1nby n ASP 719 Ca 0.12 -2.87 0.21 0.00 0.52 0.00 0.00 54.79 52.77 1nby n ASP 719 Cb 0.42 -1.54 0.72 0.00 -0.72 0.00 0.00 41.12 40.00 1nby n ASP 719 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1nby h VAL 720 N 3.42 0.35 0.00 5.18 -1.51 -1.91 0.15 116.25 121.93 1nby h VAL 720 Ca 0.65 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.12 1nby h VAL 720 Cb 0.48 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1nby h VAL 720 CO 1.74 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.75 1nby n GLN 721 N -3.69 0.19 0.06 5.19 7.27 -1.26 -1.63 117.38 123.50 1nby n GLN 721 Ca 0.09 0.50 0.04 0.00 0.07 0.00 0.00 57.00 57.69 1nby n GLN 721 Cb 0.71 -1.92 0.43 0.00 2.41 0.00 0.00 30.24 31.87 1nby n GLN 721 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nby h ALA 722 N 2.17 1.66 0.00 1.69 0.00 -1.09 -1.98 119.26 121.73 1nby h ALA 722 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nby h ALA 722 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nby h ALA 722 CO 0.00 0.27 -0.04 -1.49 0.00 0.00 0.00 179.25 177.99 1nby h TRP 723 N 0.41 0.00 -0.01 0.00 4.06 -1.50 -2.99 115.95 115.92 1nby h TRP 723 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1nby h TRP 723 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1nby h TRP 723 CO 0.00 0.04 -0.08 0.44 -3.56 0.00 0.00 178.44 175.27 1nby n ILE 724 N -3.43 0.00 -1.59 1.49 -6.64 -0.79 -4.86 119.36 103.53 1nby n ILE 724 Ca -0.02 -0.46 -0.34 0.00 -1.77 0.00 0.00 62.75 60.16 1nby n ILE 724 Cb 0.15 1.09 0.07 0.00 -1.44 0.00 0.00 39.64 39.51 1nby n ILE 724 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1nby s ARG 725 N -0.84 2.46 0.00 6.28 0.52 -0.91 -2.32 118.95 124.13 1nby s ARG 725 Ca 0.06 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 1nby s ARG 725 Cb 0.05 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1nby s ARG 725 CO 0.13 -1.55 0.00 0.41 0.02 0.00 0.00 175.30 174.31 1nby n GLY 726 N -0.06 2.95 3.74 -3.53 0.00 -1.26 -4.98 105.19 102.05 1nby n GLY 726 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1nby n GLY 726 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nby n ARG 728 N 2.20 3.59 0.00 0.00 1.74 -1.26 -5.11 116.66 117.83 1nby n ARG 728 Ca 0.01 -4.24 0.00 0.00 -0.77 0.00 0.00 57.85 52.84 1nby n ARG 728 Cb 0.48 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 1nby n ARG 728 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58