#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfk h LEU 605 N 0.00 0.52 -0.28 1.69 5.85 -1.94 -3.14 115.31 118.02 1tfk h LEU 605 Ca 0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1tfk h LEU 605 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1tfk h LEU 605 CO 0.00 0.94 -0.02 -0.78 -0.34 0.00 0.00 178.44 178.25 1tfk h ASP 606 N 0.37 0.50 0.54 1.25 1.82 -2.01 -2.65 116.42 116.25 1tfk h ASP 606 Ca 0.01 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1tfk h ASP 606 Cb 1.03 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1tfk h ASP 606 CO 0.09 0.70 0.00 2.29 -1.61 0.00 0.00 179.24 180.72 1tfk n LYS 607 N -4.57 0.09 -0.10 0.28 2.85 -1.22 -2.45 118.16 113.04 1tfk n LYS 607 Ca -0.03 0.16 0.05 0.00 -1.05 0.00 0.00 58.31 57.44 1tfk n LYS 607 Cb 0.27 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.25 1tfk n LYS 607 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1tfk n LYS 608 N -1.43 1.93 0.33 -1.58 4.76 -1.14 -4.54 118.16 116.49 1tfk n LYS 608 Ca 0.06 -1.64 0.21 0.00 -2.87 0.00 0.00 58.31 54.07 1tfk n LYS 608 Cb 0.19 -1.22 1.14 0.00 -1.84 0.00 0.00 35.03 33.31 1tfk n LYS 608 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1tfk h TYR 609 N 1.82 0.00 -0.05 2.13 3.20 -1.14 0.36 116.97 123.30 1tfk h TYR 609 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1tfk h TYR 609 Cb 0.59 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1tfk h TYR 609 CO 0.13 0.00 0.09 1.57 -1.64 0.00 0.00 178.16 178.31 1tfk h LYS 610 N 0.00 0.00 -0.01 1.82 2.10 -1.82 0.13 116.57 118.80 1tfk h LYS 610 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tfk h LYS 610 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1tfk h LYS 610 CO -0.00 0.00 -0.53 0.72 -2.00 0.00 0.00 179.45 177.64 1tfk n HIS 611 N -3.45 0.00 -0.34 0.07 8.25 0.12 -4.42 115.22 115.45 1tfk n HIS 611 Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 1tfk n HIS 611 Cb 0.18 -0.08 0.32 0.00 1.12 0.00 0.00 29.99 31.53 1tfk n HIS 611 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tfk h ALA 612 N 3.48 1.63 -0.05 -1.41 0.00 -1.05 0.65 119.26 122.51 1tfk h ALA 612 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1tfk h ALA 612 Cb 0.58 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1tfk h ALA 612 CO 0.00 -0.15 0.23 0.78 0.00 0.00 0.00 179.25 180.11 1tfk h GLY 613 N 0.65 0.00 2.00 0.00 0.00 -1.72 0.46 103.07 104.46 1tfk h GLY 613 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1tfk h GLY 613 CO -0.42 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.57 1tfk h ASP 614 N 0.00 0.00 -0.87 0.19 3.45 -1.15 -3.27 116.42 114.78 1tfk h ASP 614 Ca 0.02 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.92 1tfk h ASP 614 Cb 0.48 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 38.95 1tfk h ASP 614 CO -0.00 0.00 0.37 0.49 -1.57 0.00 0.00 179.24 178.53 1tfk n PHE 615 N -2.63 2.84 -1.70 4.55 3.01 0.16 -4.81 117.46 118.88 1tfk n PHE 615 Ca 0.05 -2.51 -0.14 0.00 1.01 0.00 0.00 57.45 55.86 1tfk n PHE 615 Cb 0.46 -1.03 -0.04 0.00 -0.01 0.00 0.00 39.48 38.86 1tfk n PHE 615 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tfk n GLY 616 N -0.94 0.87 2.90 1.37 0.00 -1.23 -4.92 105.19 103.24 1tfk n GLY 616 Ca 0.55 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1tfk n GLY 616 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tfk s ILE 617 N -2.58 1.61 -2.35 -0.61 2.07 -1.20 -4.97 121.20 113.16 1tfk s ILE 617 Ca 0.00 -1.73 0.28 0.00 -1.41 0.00 0.00 60.65 57.79 1tfk s ILE 617 Cb 0.00 -2.11 0.63 0.00 0.13 0.00 0.00 42.46 41.11 1tfk s ILE 617 CO 0.00 -0.49 1.84 -1.54 -1.91 0.00 0.00 174.94 172.84 1tfk n SER 618 N 4.56 1.13 -4.60 4.50 3.41 -1.26 -2.81 113.62 118.55 1tfk n SER 618 Ca -0.02 -1.40 -0.45 0.00 -0.26 0.00 0.00 58.87 56.74 1tfk n SER 618 Cb 0.43 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1tfk n SER 618 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tfk n ASP 619 N -0.11 3.32 0.19 4.04 10.43 -1.26 -4.81 116.55 128.35 1tfk n ASP 619 Ca 0.20 0.52 0.14 0.00 2.57 0.00 0.00 54.79 58.22 1tfk n ASP 619 Cb 0.29 -1.47 0.46 0.00 1.84 0.00 0.00 41.12 42.24 1tfk n ASP 619 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1tfk h THR 620 N 6.51 0.00 -3.44 -3.53 1.35 -2.01 -3.44 112.91 108.35 1tfk h THR 620 Ca -0.42 -0.54 -0.54 0.00 -0.55 0.00 0.00 66.41 64.35 1tfk h THR 620 Cb 1.26 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 69.12 1tfk h THR 620 CO 0.96 0.00 0.20 -0.54 -0.25 0.00 0.00 175.52 175.89 1tfk s LYS 621 N -3.36 4.53 -0.66 4.72 1.02 -1.26 -5.02 119.74 119.70 1tfk s LYS 621 Ca 0.05 1.14 -0.07 0.00 0.02 0.00 0.00 55.97 57.11 1tfk s LYS 621 Cb 0.09 -3.38 0.17 0.00 -0.52 0.00 0.00 37.83 34.19 1tfk s LYS 621 CO 0.54 0.23 0.53 0.21 -0.92 0.00 0.00 175.35 175.94 1tfk s LYS 622 N 0.10 2.87 0.34 1.68 2.20 -1.26 -4.73 119.74 120.94 1tfk s LYS 622 Ca 0.41 -2.39 0.03 0.00 -0.36 0.00 0.00 55.97 53.66 1tfk s LYS 622 Cb -0.21 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1tfk s LYS 622 CO 0.24 -1.21 0.11 0.54 -0.36 0.00 0.00 175.35 174.67 1tfk s ASN 623 N 1.47 2.16 0.37 1.43 2.20 -1.26 -4.98 114.94 116.32 1tfk s ASN 623 Ca 0.15 -1.52 0.16 0.00 -0.94 0.00 0.00 52.86 50.72 1tfk s ASN 623 Cb -0.18 0.25 1.07 0.00 -2.00 0.00 0.00 41.25 40.39 1tfk s ASN 623 CO -0.05 -0.79 1.72 -0.09 -2.94 0.00 0.00 177.10 174.95 1tfk h ARG 624 N 2.07 0.39 0.05 3.55 2.43 -1.99 0.12 114.38 121.00 1tfk h ARG 624 Ca -0.37 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1tfk h ARG 624 Cb 1.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1tfk h ARG 624 CO 0.60 0.26 -0.03 1.49 -1.51 0.00 0.00 179.97 180.78 1tfk h GLU 625 N 0.40 -0.07 -0.02 0.20 4.81 -1.97 -2.73 114.58 115.20 1tfk h GLU 625 Ca 0.67 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.79 1tfk h GLU 625 Cb 1.58 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1tfk h GLU 625 CO -0.43 0.32 -0.50 1.79 -0.73 0.00 0.00 179.01 179.46 1tfk h THR 626 N -0.48 1.36 -0.03 0.32 1.35 -1.54 -2.69 112.91 111.20 1tfk h THR 626 Ca -0.01 -1.72 -0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1tfk h THR 626 Cb 0.42 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1tfk h THR 626 CO 0.01 0.49 0.01 -0.07 -0.25 0.00 0.00 175.52 175.71 1tfk h LEU 627 N 0.03 0.05 -1.50 3.87 4.07 -0.85 -1.42 115.31 119.56 1tfk h LEU 627 Ca -0.00 -0.26 0.03 0.00 0.08 0.00 0.00 57.88 57.73 1tfk h LEU 627 Cb 0.89 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 1tfk h LEU 627 CO 0.07 0.30 0.37 0.71 -1.08 0.00 0.00 178.44 178.81 1tfk h THR 628 N -0.20 1.07 -0.81 0.22 1.35 -1.44 0.32 112.91 113.42 1tfk h THR 628 Ca 0.01 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 1tfk h THR 628 Cb 0.27 0.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.01 1tfk h THR 628 CO 0.00 0.12 0.39 0.11 -0.25 0.00 0.00 175.52 175.89 1tfk h LYS 629 N 0.65 1.17 -0.40 4.72 1.79 -1.17 0.17 116.57 123.50 1tfk h LYS 629 Ca 0.22 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1tfk h LYS 629 Cb 0.08 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1tfk h LYS 629 CO -0.06 0.90 -0.06 0.35 -1.08 0.00 0.00 179.45 179.51 1tfk h PHE 630 N 1.15 0.83 -0.69 -1.35 3.57 0.19 -0.09 116.94 120.56 1tfk h PHE 630 Ca 0.28 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1tfk h PHE 630 Cb 0.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1tfk h PHE 630 CO 0.01 0.86 0.45 -0.09 -2.23 0.00 0.00 178.31 177.31 1tfk h ARG 631 N 0.57 0.87 -0.26 1.11 2.43 0.19 -0.66 114.38 118.64 1tfk h ARG 631 Ca 0.11 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1tfk h ARG 631 Cb 0.57 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1tfk h ARG 631 CO 0.03 0.58 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.29 1tfk h ASP 632 N 0.90 0.57 -0.56 -3.80 3.32 -0.47 -1.86 116.42 114.51 1tfk h ASP 632 Ca 0.26 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1tfk h ASP 632 Cb -0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1tfk h ASP 632 CO -0.08 0.87 0.23 0.00 -1.72 0.00 0.00 179.24 178.54 1tfk h ALA 633 N 1.17 1.27 -0.25 3.45 0.00 -0.18 0.18 119.26 124.90 1tfk h ALA 633 Ca 0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1tfk h ALA 633 Cb 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1tfk h ALA 633 CO 0.07 0.53 -0.62 0.82 0.00 0.00 0.00 179.25 180.05 1tfk h ILE 634 N 0.86 1.27 -0.59 0.00 2.04 -0.87 -2.38 117.51 117.85 1tfk h ILE 634 Ca 0.20 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.21 1tfk h ILE 634 Cb 0.19 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1tfk h ILE 634 CO -0.02 0.58 0.16 -0.33 0.00 0.00 0.00 178.15 178.55 1tfk h GLU 635 N 0.63 0.93 -0.03 2.37 5.08 -0.92 -1.92 114.58 120.72 1tfk h GLU 635 Ca -0.01 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1tfk h GLU 635 Cb 1.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1tfk h GLU 635 CO 0.13 0.84 -0.28 1.49 -1.00 0.00 0.00 179.01 180.20 1tfk h GLU 636 N 0.84 0.05 0.16 2.33 4.81 -0.95 -0.59 114.58 121.24 1tfk h GLU 636 Ca 0.19 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1tfk h GLU 636 Cb 0.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1tfk h GLU 636 CO -0.00 0.33 -0.08 1.25 -0.73 0.00 0.00 179.01 179.78 1tfk h HIS 637 N 0.05 -0.20 -0.27 0.92 2.76 -1.04 -1.94 115.15 115.43 1tfk h HIS 637 Ca 0.01 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1tfk h HIS 637 Cb 0.53 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1tfk h HIS 637 CO 0.00 0.20 0.08 -0.07 -1.30 0.00 0.00 177.93 176.84 1tfk h LEU 638 N -0.67 0.34 0.00 0.26 4.07 -1.21 -2.65 115.31 115.46 1tfk h LEU 638 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1tfk h LEU 638 Cb 0.49 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1tfk h LEU 638 CO 0.04 0.34 -0.37 -1.20 -1.08 0.00 0.00 178.44 176.17 1tfk n SER 639 N -4.40 0.74 -4.74 -0.43 7.64 -0.24 -4.90 113.62 107.29 1tfk n SER 639 Ca 0.01 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1tfk n SER 639 Cb 0.15 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1tfk n SER 639 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1tfk n ASP 640 N -2.16 3.92 -0.09 6.43 4.64 -0.73 -4.88 116.55 123.68 1tfk n ASP 640 Ca 0.04 1.13 0.08 0.00 -1.38 0.00 0.00 54.79 54.66 1tfk n ASP 640 Cb 0.43 -1.59 0.43 0.00 -1.04 0.00 0.00 41.12 39.35 1tfk n ASP 640 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1tfk h LYS 641 N 5.27 0.54 -0.03 -0.67 2.10 -1.90 -1.41 116.57 120.46 1tfk h LYS 641 Ca -0.46 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1tfk h LYS 641 Cb 1.22 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1tfk h LYS 641 CO 0.83 0.36 0.00 -0.25 -2.00 0.00 0.00 179.45 178.39 1tfk n ASP 642 N -4.47 0.45 -4.65 7.07 8.00 -1.26 -4.75 116.55 116.93 1tfk n ASP 642 Ca 0.08 -1.37 -0.38 0.00 0.71 0.00 0.00 54.79 53.83 1tfk n ASP 642 Cb 0.23 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.24 1tfk n ASP 642 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1tfk s THR 643 N -1.96 5.18 0.13 -3.53 2.01 -0.53 -4.33 115.64 112.60 1tfk s THR 643 Ca 0.35 0.71 0.03 0.00 0.31 0.00 0.00 61.69 63.08 1tfk s THR 643 Cb 0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1tfk s THR 643 CO 0.28 0.22 -0.08 0.68 -0.69 0.00 0.00 174.62 175.03 1tfk s VAL 644 N 1.53 0.90 0.26 3.82 -7.23 -0.42 -4.89 120.40 114.36 1tfk s VAL 644 Ca 0.19 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1tfk s VAL 644 Cb -0.15 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 1tfk s VAL 644 CO 0.08 -0.79 1.37 -0.70 -0.31 0.00 0.00 175.10 174.76 1tfk s GLU 645 N -3.80 4.32 -0.29 4.82 2.12 -1.26 -0.64 118.70 123.97 1tfk s GLU 645 Ca 0.15 2.21 0.03 0.00 0.36 0.00 0.00 54.97 57.72 1tfk s GLU 645 Cb 0.04 -3.12 0.18 0.00 0.26 0.00 0.00 34.13 31.49 1tfk s GLU 645 CO -0.02 -0.31 0.53 0.21 -0.54 0.00 0.00 175.26 175.13 1tfk s LYS 646 N -0.69 0.51 1.51 4.30 2.20 0.42 -4.85 119.74 123.15 1tfk s LYS 646 Ca 0.56 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1tfk s LYS 646 Cb -0.40 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1tfk s LYS 646 CO 0.44 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1tfk n GLY 647 N 5.40 -1.65 3.42 5.54 0.00 -1.26 -4.43 105.19 112.21 1tfk n GLY 647 Ca 0.02 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1tfk n GLY 647 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tfk s THR 648 N 0.00 0.05 -0.85 2.61 -1.32 -0.69 -2.25 115.64 113.19 1tfk s THR 648 Ca 0.00 -1.23 -0.09 0.00 -1.21 0.00 0.00 61.69 59.16 1tfk s THR 648 Cb 0.00 -1.83 0.22 0.00 -1.51 0.00 0.00 72.50 69.38 1tfk s THR 648 CO 0.00 -0.20 0.76 -0.47 -2.21 0.00 0.00 174.62 172.50 1tfk s TYR 649 N -3.95 3.80 0.08 9.09 6.04 -1.26 -1.65 117.35 129.50 1tfk s TYR 649 Ca 0.16 -2.44 -0.15 0.00 0.04 0.00 0.00 57.07 54.68 1tfk s TYR 649 Cb 0.02 -3.60 -0.03 0.00 -1.04 0.00 0.00 41.96 37.30 1tfk s TYR 649 CO 0.01 -0.91 0.82 -2.13 -1.54 0.00 0.00 175.55 171.80 1tfk n ARG 650 N 3.38 -0.22 -0.32 4.97 3.00 -1.26 -0.43 116.66 125.78 1tfk n ARG 650 Ca 0.16 0.81 0.16 0.00 -0.00 0.00 0.00 57.85 58.97 1tfk n ARG 650 Cb 0.42 -1.19 0.32 0.00 0.00 0.00 0.00 32.46 32.01 1tfk n ARG 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tfk h ARG 651 N 0.00 0.06 -3.60 -0.14 3.08 -1.98 0.21 114.38 112.01 1tfk h ARG 651 Ca 0.08 -0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.37 1tfk h ARG 651 Cb 0.20 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.09 1tfk h ARG 651 CO -0.47 0.04 2.03 -1.91 -1.07 0.00 0.00 179.97 178.60 1tfk n GLU 652 N -5.39 3.58 -1.41 0.04 4.07 0.43 -4.95 120.64 117.00 1tfk n GLU 652 Ca 0.24 -3.51 -0.56 0.00 -0.06 0.00 0.00 57.16 53.27 1tfk n GLU 652 Cb 0.79 -2.95 -0.09 0.00 -0.06 0.00 0.00 31.44 29.13 1tfk n GLU 652 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1tfk n LYS 653 N 4.07 0.58 0.00 5.31 4.81 0.75 -0.73 118.16 132.95 1tfk n LYS 653 Ca 0.40 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1tfk n LYS 653 Cb 0.37 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1tfk n LYS 653 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tfk n GLY 654 N 6.51 0.61 3.76 3.14 0.00 -1.26 -4.85 105.19 113.10 1tfk n GLY 654 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1tfk n GLY 654 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tfk s SER 655 N -1.96 4.77 -0.05 1.61 1.04 0.09 -4.02 113.70 115.17 1tfk s SER 655 Ca 0.00 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.49 1tfk s SER 655 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1tfk s SER 655 CO 0.00 -1.86 -0.17 -0.54 0.98 0.00 0.00 173.24 171.65 1tfk s LYS 656 N -4.26 1.86 0.00 4.02 1.02 0.19 -4.28 119.74 118.30 1tfk s LYS 656 Ca 0.67 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.07 1tfk s LYS 656 Cb -0.21 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1tfk s LYS 656 CO 0.46 0.22 -0.01 0.54 -0.92 0.00 0.00 175.35 175.63 1tfk s VAL 657 N 0.13 4.04 -0.22 3.17 0.11 -0.95 -0.84 120.40 125.83 1tfk s VAL 657 Ca -0.06 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1tfk s VAL 657 Cb -0.12 -2.79 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 1tfk s VAL 657 CO 0.03 0.37 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.74 1tfk s TYR 658 N -1.07 2.98 -0.01 1.54 1.51 -0.45 -0.43 117.35 121.42 1tfk s TYR 658 Ca 0.19 -1.69 -0.00 0.00 -1.01 0.00 0.00 57.07 54.56 1tfk s TYR 658 Cb -0.11 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1tfk s TYR 658 CO 0.10 -0.78 0.06 0.12 -1.11 0.00 0.00 175.55 173.94 1tfk s PHE 659 N 1.28 3.24 -0.24 2.71 5.36 0.19 -1.98 117.98 128.54 1tfk s PHE 659 Ca 0.01 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 1tfk s PHE 659 Cb -0.16 -1.73 0.06 0.00 -0.34 0.00 0.00 43.02 40.85 1tfk s PHE 659 CO -0.08 0.53 -0.08 1.21 -1.46 0.00 0.00 175.22 175.34 1tfk s ASN 660 N -1.65 4.11 0.14 6.13 3.84 -0.70 -1.31 114.94 125.50 1tfk s ASN 660 Ca 0.22 -1.27 0.15 0.00 0.21 0.00 0.00 52.86 52.17 1tfk s ASN 660 Cb -0.12 -1.36 0.67 0.00 -0.55 0.00 0.00 41.25 39.89 1tfk s ASN 660 CO 0.12 -0.21 1.45 -0.81 -2.79 0.00 0.00 177.10 174.87 1tfk n PRO 661 N 4.56 0.08 -0.06 0.43 -0.04 -1.26 0.23 135.00 138.93 1tfk n PRO 661 Ca -0.13 0.44 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1tfk n PRO 661 Cb 0.43 -1.70 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 1tfk n PRO 661 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tfk h ASN 662 N 0.00 0.00 1.62 3.54 -0.26 -1.94 -3.37 115.58 115.17 1tfk h ASN 662 Ca 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1tfk h ASN 662 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1tfk h ASN 662 CO 0.00 0.58 -0.10 0.71 -1.06 0.00 0.00 177.43 177.56 1tfk h THR 663 N -1.00 0.00 -0.40 2.81 1.35 -1.99 -3.47 112.91 110.21 1tfk h THR 663 Ca -0.00 -0.72 -0.17 0.00 -0.55 0.00 0.00 66.41 64.96 1tfk h THR 663 Cb 0.16 1.66 -0.07 0.00 -1.73 0.00 0.00 68.15 68.18 1tfk h THR 663 CO -0.00 0.00 -0.15 0.23 -0.25 0.00 0.00 175.52 175.34 1tfk n MET 664 N -2.62 -0.80 -3.34 4.72 2.81 0.13 -4.83 117.12 113.20 1tfk n MET 664 Ca 0.04 0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 56.35 1tfk n MET 664 Cb 0.48 -4.65 -0.06 0.00 -0.71 0.00 0.00 33.22 28.29 1tfk n MET 664 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1tfk s ASN 665 N -2.69 6.69 0.10 7.83 0.01 -1.19 0.30 114.94 126.00 1tfk s ASN 665 Ca 0.00 1.04 0.08 0.00 -0.71 0.00 0.00 52.86 53.27 1tfk s ASN 665 Cb 0.00 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 1tfk s ASN 665 CO 0.00 -0.08 -0.21 0.68 -1.51 0.00 0.00 177.10 175.98 1tfk s VAL 666 N -1.81 1.69 -0.05 1.60 -7.23 -0.27 -1.72 120.40 112.60 1tfk s VAL 666 Ca 0.48 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1tfk s VAL 666 Cb -0.11 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.30 1tfk s VAL 666 CO 0.20 -0.07 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.18 1tfk s VAL 667 N -1.19 0.61 -0.17 1.32 1.01 -0.84 -1.79 120.40 119.35 1tfk s VAL 667 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1tfk s VAL 667 Cb -0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1tfk s VAL 667 CO 0.04 0.24 0.22 -0.63 0.00 0.00 0.00 175.10 174.97 1tfk s ILE 668 N 0.96 5.36 -0.06 2.22 1.01 0.11 -1.35 121.20 129.44 1tfk s ILE 668 Ca -0.10 0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1tfk s ILE 668 Cb -0.14 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1tfk s ILE 668 CO 0.00 0.43 -0.24 -0.63 0.00 0.00 0.00 174.94 174.50 1tfk s ILE 669 N 0.30 2.18 0.86 2.92 -1.09 -0.02 -0.89 121.20 125.46 1tfk s ILE 669 Ca 0.13 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1tfk s ILE 669 Cb -0.12 -1.80 0.11 0.00 -1.58 0.00 0.00 42.46 39.06 1tfk s ILE 669 CO 0.02 0.57 1.11 -0.54 -1.23 0.00 0.00 174.94 174.86 1tfk s LYS 670 N -0.14 1.53 0.48 2.79 1.02 0.38 -0.63 119.74 125.16 1tfk s LYS 670 Ca -0.04 0.56 0.19 0.00 0.02 0.00 0.00 55.97 56.70 1tfk s LYS 670 Cb -0.14 -1.86 1.20 0.00 -0.52 0.00 0.00 37.83 36.51 1tfk s LYS 670 CO 0.04 -1.99 1.99 0.77 -0.92 0.00 0.00 175.35 175.24 1tfk h SER 671 N -1.35 0.20 -0.05 2.83 0.02 -1.89 0.27 113.55 113.58 1tfk h SER 671 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1tfk h SER 671 Cb 1.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1tfk h SER 671 CO 0.59 0.11 0.00 -0.46 -1.14 0.00 0.00 176.83 175.93 1tfk n ASN 672 N -4.44 0.55 0.00 3.07 0.23 -1.26 -4.90 115.26 108.51 1tfk n ASN 672 Ca 0.10 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1tfk n ASN 672 Cb 0.48 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1tfk n ASN 672 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tfk n GLY 673 N 0.93 0.82 3.80 4.83 0.00 0.94 -5.04 105.19 111.46 1tfk n GLY 673 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1tfk n GLY 673 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfk s GLU 674 N -0.33 4.42 0.10 1.61 2.02 -1.26 -4.72 118.70 120.54 1tfk s GLU 674 Ca 0.00 1.11 -0.31 0.00 0.02 0.00 0.00 54.97 55.79 1tfk s GLU 674 Cb 0.00 -2.81 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 1tfk s GLU 674 CO 0.00 0.32 1.55 0.12 0.02 0.00 0.00 175.26 177.27 1tfk s PHE 675 N -1.59 2.83 -0.17 1.61 5.36 -1.26 -0.47 117.98 124.28 1tfk s PHE 675 Ca 0.47 0.59 -0.16 0.00 -0.96 0.00 0.00 56.93 56.87 1tfk s PHE 675 Cb -0.17 -3.87 -0.06 0.00 -0.34 0.00 0.00 43.02 38.58 1tfk s PHE 675 CO 0.22 -3.29 -0.33 -0.11 -1.46 0.00 0.00 175.22 170.26 1tfk n LEU 676 N 4.74 1.88 0.00 6.12 7.94 -0.06 -4.88 117.00 132.73 1tfk n LEU 676 Ca 0.14 0.32 -0.01 0.00 -1.11 0.00 0.00 56.01 55.35 1tfk n LEU 676 Cb 0.41 -0.72 0.01 0.00 0.53 0.00 0.00 43.42 43.64 1tfk n LEU 676 CO 0.61 -0.19 0.22 -0.24 -1.11 0.00 0.00 177.39 176.68 1tfk n SER 677 N -4.37 -0.43 -3.64 1.96 2.88 -1.21 -4.97 113.62 103.84 1tfk n SER 677 Ca -0.18 -1.22 -0.02 0.00 -1.33 0.00 0.00 58.87 56.12 1tfk n SER 677 Cb 0.54 0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 1tfk n SER 677 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1tfk s GLY 678 N -2.35 -0.10 0.11 0.46 0.00 -1.26 0.05 107.32 104.23 1tfk s GLY 678 Ca 0.06 2.23 -0.25 0.00 0.00 0.00 0.00 44.72 46.76 1tfk s GLY 678 CO 0.01 0.80 1.11 0.66 0.00 0.00 0.00 173.10 175.69 1tfk s TRP 679 N -1.69 0.01 -0.08 1.90 -2.14 -0.74 -4.80 118.94 111.40 1tfk s TRP 679 Ca 0.11 -0.29 -0.19 0.00 2.66 0.00 0.00 56.10 58.39 1tfk s TRP 679 Cb -0.01 0.64 -0.04 0.00 -3.10 0.00 0.00 33.47 30.95 1tfk s TRP 679 CO -0.05 -0.68 0.51 0.21 -2.66 0.00 0.00 176.95 174.28 1tfk s LYS 680 N -2.37 4.31 0.17 3.25 2.20 -1.26 -1.12 119.74 124.92 1tfk s LYS 680 Ca 0.21 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 1tfk s LYS 680 Cb -0.01 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1tfk s LYS 680 CO 0.02 0.24 1.03 0.42 -0.36 0.00 0.00 175.35 176.69 1tfk s ILE 681 N 0.34 4.09 -0.44 5.43 -1.09 0.15 -4.97 121.20 124.70 1tfk s ILE 681 Ca 0.27 1.84 -0.10 0.00 -2.23 0.00 0.00 60.65 60.43 1tfk s ILE 681 Cb -0.16 -4.17 0.08 0.00 -1.58 0.00 0.00 42.46 36.63 1tfk s ILE 681 CO 0.12 0.33 0.30 0.21 -1.23 0.00 0.00 174.94 174.68 1tfk s ASN 682 N -0.31 5.73 0.66 3.58 3.84 -1.26 -4.91 114.94 122.28 1tfk s ASN 682 Ca 0.47 -1.55 0.42 0.00 0.21 0.00 0.00 52.86 52.42 1tfk s ASN 682 Cb -0.27 -2.02 2.34 0.00 -0.55 0.00 0.00 41.25 40.74 1tfk s ASN 682 CO 0.33 -0.58 2.34 1.55 -2.79 0.00 0.00 177.10 177.95 1tfk h PRO 683 N 8.47 0.00 0.00 0.43 0.13 -1.95 -2.27 132.00 136.81 1tfk h PRO 683 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1tfk h PRO 683 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1tfk h PRO 683 CO 0.80 0.00 -0.33 -0.25 -0.23 0.00 0.00 178.00 177.98 1tfk n ASP 684 N -3.16 0.72 -4.89 1.44 10.43 -1.26 -4.14 116.55 115.69 1tfk n ASP 684 Ca -0.03 0.31 -0.30 0.00 2.57 0.00 0.00 54.79 57.34 1tfk n ASP 684 Cb 0.09 -0.26 -0.04 0.00 1.84 0.00 0.00 41.12 42.74 1tfk n ASP 684 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1tfk s ALA 685 N -3.13 3.68 0.16 2.24 0.00 -0.85 -4.95 121.76 118.91 1tfk s ALA 685 Ca 0.09 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1tfk s ALA 685 Cb 0.13 -2.26 0.09 0.00 0.00 0.00 0.00 23.12 21.08 1tfk s ALA 685 CO 0.66 0.49 1.73 -0.44 0.00 0.00 0.00 175.76 178.19 1tfk h ASP 686 N 2.36 -0.00 -0.59 0.00 3.32 -1.89 -0.11 116.42 119.51 1tfk h ASP 686 Ca -0.47 0.06 0.09 0.00 0.02 0.00 0.00 57.03 56.74 1tfk h ASP 686 Cb 1.17 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 1tfk h ASP 686 CO 0.69 0.04 0.22 0.78 -1.72 0.00 0.00 179.24 179.25 1tfk h ASN 687 N 0.19 0.22 -0.16 6.45 2.35 -1.95 0.24 115.58 122.92 1tfk h ASN 687 Ca 0.18 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1tfk h ASN 687 Cb 0.22 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1tfk h ASN 687 CO -0.24 0.13 0.04 1.23 -1.65 0.00 0.00 177.43 176.94 1tfk h GLY 688 N 0.40 0.28 1.01 2.83 0.00 -1.51 -1.32 103.07 104.75 1tfk h GLY 688 Ca 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1tfk h GLY 688 CO -0.29 0.16 0.41 -0.09 0.00 0.00 0.00 176.54 176.73 1tfk h ARG 689 N 0.07 0.83 -0.74 4.80 2.43 -0.52 -0.73 114.38 120.51 1tfk h ARG 689 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1tfk h ARG 689 Cb 0.26 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1tfk h ARG 689 CO 0.00 0.55 0.48 0.82 -1.51 0.00 0.00 179.97 180.32 1tfk h ILE 690 N 0.85 1.16 -0.49 1.20 2.04 -0.41 -0.94 117.51 120.92 1tfk h ILE 690 Ca 0.23 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1tfk h ILE 690 Cb -0.09 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1tfk h ILE 690 CO -0.05 0.18 0.13 0.22 0.00 0.00 0.00 178.15 178.63 1tfk h TYR 691 N 0.97 0.80 -0.58 1.37 5.03 -0.65 0.57 116.97 124.49 1tfk h TYR 691 Ca 0.28 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1tfk h TYR 691 Cb -0.07 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 37.96 1tfk h TYR 691 CO -0.03 0.71 0.31 -0.07 -1.32 0.00 0.00 178.16 177.77 1tfk h LEU 692 N 0.66 0.72 -0.01 2.82 4.07 -0.72 0.50 115.31 123.35 1tfk h LEU 692 Ca 0.15 -0.09 -0.26 0.00 0.08 0.00 0.00 57.88 57.76 1tfk h LEU 692 Cb 0.30 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1tfk h LEU 692 CO -0.00 0.61 -1.10 -0.33 -1.08 0.00 0.00 178.44 176.53 1tfk h GLU 693 N 0.78 0.47 0.00 1.13 5.08 -1.07 -3.39 114.58 117.57 1tfk h GLU 693 Ca 0.20 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1tfk h GLU 693 Cb 0.05 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1tfk h GLU 693 CO -0.03 1.23 -0.86 0.25 -1.00 0.00 0.00 179.01 178.59 1tfk n THR 694 N -3.72 0.00 -0.69 1.13 -2.24 0.18 -5.01 114.28 103.93 1tfk n THR 694 Ca -0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1tfk n THR 694 Cb 0.92 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1tfk n THR 694 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tfk n GLY 695 N 1.74 0.95 3.60 3.38 0.00 0.17 -4.92 105.19 110.11 1tfk n GLY 695 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1tfk n GLY 695 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfk s GLU 696 N -0.27 3.82 0.00 1.61 0.41 -1.26 -1.70 118.70 121.31 1tfk s GLU 696 Ca 0.00 0.41 0.25 0.00 -0.41 0.00 0.00 54.97 55.22 1tfk s GLU 696 Cb 0.00 -3.79 0.37 0.00 -1.78 0.00 0.00 34.13 28.93 1tfk s GLU 696 CO 0.00 -0.81 1.36 -0.11 -0.49 0.00 0.00 175.26 175.21