#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfz n MET 601 N 0.00 0.66 0.00 1.61 2.81 -1.26 -5.05 117.12 115.89 1jfz n MET 601 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1jfz n MET 601 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1jfz n MET 601 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jfz n LYS 602 N -3.88 0.00 -0.25 0.03 5.02 -1.26 -5.05 118.16 112.78 1jfz n LYS 602 Ca -0.37 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.00 1jfz n LYS 602 Cb 0.90 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 36.11 1jfz n LYS 602 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jfz n MET 603 N 0.00 2.12 0.00 1.97 0.00 -1.26 -4.44 117.12 115.51 1jfz n MET 603 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 57.70 56.05 1jfz n MET 603 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1jfz n MET 603 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1jfz n LEU 604 N 0.81 0.00 -1.33 3.17 7.99 -1.26 -4.90 117.00 121.48 1jfz n LEU 604 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 1jfz n LEU 604 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 1jfz n LEU 604 CO 0.11 0.00 0.75 -0.62 -1.51 0.00 0.00 177.39 176.12 1jfz n GLU 605 N 0.00 0.93 -0.37 3.23 1.02 -1.26 -4.24 120.64 119.94 1jfz n GLU 605 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1jfz n GLU 605 Cb 0.00 -1.03 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1jfz n GLU 605 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1jfz n GLN 606 N 1.16 1.22 0.10 3.49 -0.06 -1.26 -3.01 117.38 119.02 1jfz n GLN 606 Ca 0.00 -0.48 0.03 0.00 -2.00 0.00 0.00 57.00 54.55 1jfz n GLN 606 Cb 0.47 -1.19 -0.01 0.00 -4.06 0.00 0.00 30.24 25.45 1jfz n GLN 606 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1jfz h LEU 607 N 1.78 0.00 -1.20 1.69 5.85 -1.92 -3.33 115.31 118.18 1jfz h LEU 607 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1jfz h LEU 607 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1jfz h LEU 607 CO 0.20 0.45 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.23 1jfz h GLU 608 N 0.00 0.32 0.51 1.25 5.08 -1.77 0.81 114.58 120.78 1jfz h GLU 608 Ca -0.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1jfz h GLU 608 Cb 1.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1jfz h GLU 608 CO 0.05 0.50 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.10 1jfz h LYS 609 N 0.30 -0.66 -0.11 2.33 3.64 -1.82 0.37 116.57 120.61 1jfz h LYS 609 Ca 0.05 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1jfz h LYS 609 Cb 0.50 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1jfz h LYS 609 CO 0.03 -0.35 -0.01 0.87 -2.27 0.00 0.00 179.45 177.72 1jfz h LYS 610 N -1.01 0.03 -0.59 1.90 1.57 -1.63 -2.33 116.57 114.51 1jfz h LYS 610 Ca -0.07 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1jfz h LYS 610 Cb 0.61 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 1jfz h LYS 610 CO 0.11 0.02 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.86 1jfz h LEU 611 N 0.03 -0.43 0.00 2.94 3.38 0.62 -3.46 115.31 118.38 1jfz h LEU 611 Ca 0.05 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jfz h LEU 611 Cb 0.07 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jfz h LEU 611 CO -0.09 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1jfz n GLY 612 N -1.39 0.87 2.85 0.83 0.00 0.11 -4.98 105.19 103.49 1jfz n GLY 612 Ca 0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1jfz n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfz s TYR 613 N -2.00 0.44 -0.28 1.61 5.04 -0.24 -5.01 117.35 116.90 1jfz s TYR 613 Ca 0.00 -0.06 -0.13 0.00 -2.44 0.00 0.00 57.07 54.44 1jfz s TYR 613 Cb 0.00 -0.46 -0.04 0.00 0.35 0.00 0.00 41.96 41.81 1jfz s TYR 613 CO 0.00 -0.13 0.26 0.99 -1.34 0.00 0.00 175.55 175.33 1jfz s THR 614 N 0.86 5.26 0.33 4.34 2.01 -1.26 -4.54 115.64 122.64 1jfz s THR 614 Ca -0.09 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 1jfz s THR 614 Cb -0.13 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1jfz s THR 614 CO -0.01 0.19 1.36 -0.36 -0.69 0.00 0.00 174.62 175.11 1jfz s PHE 615 N 1.88 2.95 -0.10 4.92 0.40 -1.26 -4.93 117.98 121.83 1jfz s PHE 615 Ca 0.10 1.33 -0.26 0.00 -0.60 0.00 0.00 56.93 57.50 1jfz s PHE 615 Cb -0.16 -3.77 -0.28 0.00 0.51 0.00 0.00 43.02 39.33 1jfz s PHE 615 CO 0.11 -2.17 0.83 0.87 0.70 0.00 0.00 175.22 175.55 1jfz h LYS 616 N 3.44 0.12 -4.28 0.44 1.79 -1.97 -3.41 116.57 112.71 1jfz h LYS 616 Ca -0.49 -0.19 -0.73 0.00 -2.18 0.00 0.00 60.65 57.05 1jfz h LYS 616 Cb 1.23 0.07 -0.27 0.00 -1.58 0.00 0.00 32.23 31.68 1jfz h LYS 616 CO 0.66 1.08 -0.36 0.34 -1.08 0.00 0.00 179.45 180.10 1jfz s ASP 617 N -6.50 5.86 0.47 0.86 -1.08 -1.26 -4.96 116.67 110.06 1jfz s ASP 617 Ca -0.17 -1.73 0.23 0.00 -0.52 0.00 0.00 52.55 50.37 1jfz s ASP 617 Cb -0.01 -2.07 1.16 0.00 -1.46 0.00 0.00 42.92 40.53 1jfz s ASP 617 CO 0.74 -0.69 1.96 0.11 0.52 0.00 0.00 175.17 177.81 1jfz h LYS 618 N 8.58 0.00 0.00 4.34 6.56 -2.00 -1.78 116.57 132.27 1jfz h LYS 618 Ca -0.24 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.34 1jfz h LYS 618 Cb 1.09 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1jfz h LYS 618 CO 0.88 0.20 -0.03 0.66 -2.06 0.00 0.00 179.45 179.10 1jfz h SER 619 N 0.00 0.00 -0.11 0.86 4.64 -1.98 0.14 113.55 117.10 1jfz h SER 619 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1jfz h SER 619 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jfz h SER 619 CO 0.03 0.03 -0.20 -0.07 -0.87 0.00 0.00 176.83 175.74 1jfz h LEU 620 N 0.00 0.36 -0.10 5.97 3.38 -1.72 0.18 115.31 123.38 1jfz h LEU 620 Ca -0.00 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1jfz h LEU 620 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jfz h LEU 620 CO 0.00 0.85 -0.03 0.25 0.09 0.00 0.00 178.44 179.61 1jfz h LEU 621 N -0.11 -0.09 -0.83 1.67 6.46 -1.43 -1.90 115.31 119.08 1jfz h LEU 621 Ca 0.00 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1jfz h LEU 621 Cb 0.79 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.71 1jfz h LEU 621 CO 0.05 -0.03 0.50 -0.33 -0.62 0.00 0.00 178.44 178.00 1jfz h GLU 622 N -0.00 0.85 -0.87 1.25 5.08 -0.65 -1.76 114.58 118.47 1jfz h GLU 622 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1jfz h GLU 622 Cb 0.07 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1jfz h GLU 622 CO -0.10 0.56 0.44 -0.22 -1.00 0.00 0.00 179.01 178.69 1jfz h LYS 623 N 0.87 1.24 -0.15 2.33 3.64 -0.45 -0.35 116.57 123.70 1jfz h LYS 623 Ca 0.38 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1jfz h LYS 623 Cb 0.26 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1jfz h LYS 623 CO -0.21 0.93 -0.00 0.00 -2.27 0.00 0.00 179.45 177.90 1jfz h ALA 624 N 1.24 1.73 0.00 5.00 0.00 -0.91 -2.19 119.26 124.13 1jfz h ALA 624 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jfz h ALA 624 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jfz h ALA 624 CO -0.04 0.21 -0.62 1.28 0.00 0.00 0.00 179.25 180.07 1jfz n LEU 625 N -4.41 0.58 -4.67 0.00 4.77 -0.48 -4.57 117.00 108.22 1jfz n LEU 625 Ca -0.01 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 1jfz n LEU 625 Cb 0.16 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1jfz n LEU 625 CO 0.36 0.07 0.13 -0.89 -1.33 0.00 0.00 177.39 175.74 1jfz s THR 626 N -3.07 5.18 0.33 -5.08 2.01 -0.26 -0.73 115.64 114.01 1jfz s THR 626 Ca 0.09 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1jfz s THR 626 Cb 0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1jfz s THR 626 CO 0.72 0.24 0.55 -2.28 -0.69 0.00 0.00 174.62 173.16 1jfz s HIS 627 N 1.32 3.50 0.26 4.92 2.46 -0.36 -1.47 115.29 125.92 1jfz s HIS 627 Ca 0.21 0.44 -0.04 0.00 0.47 0.00 0.00 55.06 56.14 1jfz s HIS 627 Cb -0.15 -1.96 0.36 0.00 -0.13 0.00 0.00 32.58 30.70 1jfz s HIS 627 CO 0.08 0.14 1.88 0.28 -2.47 0.00 0.00 174.74 174.66 1jfz h VAL 628 N 0.94 1.11 0.29 0.89 2.07 -1.89 -0.66 116.25 119.01 1jfz h VAL 628 Ca -0.49 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1jfz h VAL 628 Cb 1.21 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1jfz h VAL 628 CO 0.63 0.21 -0.41 0.77 0.02 0.00 0.00 177.57 178.80 1jfz h SER 629 N 1.17 -1.15 -0.79 0.57 4.64 -1.95 -1.51 113.55 114.53 1jfz h SER 629 Ca 0.41 0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.94 1jfz h SER 629 Cb 0.10 0.40 -0.08 0.00 -0.31 0.00 0.00 62.40 62.52 1jfz h SER 629 CO -0.15 -0.53 0.43 0.22 -0.87 0.00 0.00 176.83 175.93 1jfz h TYR 630 N -0.76 0.77 -2.36 4.77 3.20 -1.74 -3.42 116.97 117.44 1jfz h TYR 630 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1jfz h TYR 630 Cb 0.71 -0.23 -0.25 0.00 1.54 0.00 0.00 36.73 38.50 1jfz h TYR 630 CO -0.28 0.28 -0.30 0.45 -1.64 0.00 0.00 178.16 176.68 1jfz s SER 631 N -5.54 -0.50 0.00 -2.11 0.15 -0.28 -5.01 113.70 100.41 1jfz s SER 631 Ca -0.12 1.15 0.31 0.00 0.70 0.00 0.00 55.95 57.99 1jfz s SER 631 Cb 0.19 1.62 1.79 0.00 -1.71 0.00 0.00 66.02 67.91 1jfz s SER 631 CO 0.78 -0.23 2.18 0.29 1.20 0.00 0.00 173.24 177.45 1jfz n LYS 632 N 5.41 0.82 -0.00 5.44 5.02 -1.04 -3.87 118.16 129.94 1jfz n LYS 632 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1jfz n LYS 632 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1jfz n LYS 632 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1jfz n LYS 633 N -1.09 0.34 -3.12 1.97 4.81 -1.26 -4.90 118.16 114.91 1jfz n LYS 633 Ca 0.21 -0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.43 1jfz n LYS 633 Cb 0.15 -1.02 -0.05 0.00 0.02 0.00 0.00 35.03 34.13 1jfz n LYS 633 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jfz n GLU 634 N -1.57 0.73 -1.56 1.64 -0.58 -1.25 -5.12 120.64 112.92 1jfz n GLU 634 Ca -0.00 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.76 1jfz n GLU 634 Cb 0.07 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1jfz n GLU 634 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1jfz n HIS 635 N 1.41 -0.67 1.25 -0.32 1.44 -1.26 -4.60 115.22 112.47 1jfz n HIS 635 Ca 0.19 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.03 1jfz n HIS 635 Cb 0.55 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.99 1jfz n HIS 635 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1jfz n TYR 636 N -0.22 0.00 0.18 -1.40 0.18 -0.54 -4.60 117.16 110.75 1jfz n TYR 636 Ca 0.00 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.62 1jfz n TYR 636 Cb 0.00 -0.05 -0.09 0.00 -0.38 0.00 0.00 39.34 38.82 1jfz n TYR 636 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1jfz h GLU 637 N 2.19 -0.79 -0.23 -3.48 4.81 -1.87 0.61 114.58 115.81 1jfz h GLU 637 Ca 0.00 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1jfz h GLU 637 Cb 0.61 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 1jfz h GLU 637 CO 0.00 -0.53 -0.14 1.15 -0.73 0.00 0.00 179.01 178.76 1jfz h THR 638 N -0.82 0.59 -0.97 0.32 2.02 -1.99 -1.73 112.91 110.32 1jfz h THR 638 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1jfz h THR 638 Cb 0.77 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 1jfz h THR 638 CO -0.19 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.25 1jfz h LEU 639 N -0.12 0.86 -1.02 2.58 3.38 -1.70 -0.13 115.31 119.16 1jfz h LEU 639 Ca 0.13 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1jfz h LEU 639 Cb 0.32 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1jfz h LEU 639 CO -0.31 0.47 0.16 1.05 0.09 0.00 0.00 178.44 179.90 1jfz h GLU 640 N 0.93 0.87 0.27 1.13 -0.00 0.11 -0.25 114.58 117.64 1jfz h GLU 640 Ca 0.47 -0.17 0.01 0.00 -0.00 0.00 0.00 59.36 59.67 1jfz h GLU 640 Cb 0.50 -0.13 -0.04 0.00 -0.00 0.00 0.00 28.75 29.08 1jfz h GLU 640 CO -0.24 0.76 -0.45 0.35 -0.00 0.00 0.00 179.01 179.43 1jfz h PHE 641 N 0.84 -1.26 -0.60 2.06 3.57 -0.32 -0.04 116.94 121.18 1jfz h PHE 641 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1jfz h PHE 641 Cb 0.27 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1jfz h PHE 641 CO 0.02 -0.57 0.30 1.25 -2.23 0.00 0.00 178.31 177.07 1jfz h LEU 642 N -0.79 0.78 -0.52 0.59 6.46 -1.43 -3.17 115.31 117.23 1jfz h LEU 642 Ca -0.01 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1jfz h LEU 642 Cb 0.75 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 1jfz h LEU 642 CO -0.17 0.69 0.23 1.23 -0.62 0.00 0.00 178.44 179.79 1jfz h GLY 643 N 0.83 0.72 -0.07 3.75 0.00 -0.49 -0.77 103.07 107.04 1jfz h GLY 643 Ca 0.21 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1jfz h GLY 643 CO -0.03 0.06 -0.32 -1.80 0.00 0.00 0.00 176.54 174.45 1jfz h ASP 644 N 0.44 -1.04 -0.95 0.19 3.58 -0.99 0.74 116.42 118.39 1jfz h ASP 644 Ca 0.24 0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.88 1jfz h ASP 644 Cb 0.21 0.48 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 1jfz h ASP 644 CO -0.21 -0.33 0.62 0.00 -2.88 0.00 0.00 179.24 176.45 1jfz h ALA 645 N 0.68 1.31 0.56 -0.78 0.00 -1.43 -1.15 119.26 118.45 1jfz h ALA 645 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jfz h ALA 645 Cb 0.53 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jfz h ALA 645 CO -0.48 0.63 -0.27 1.25 0.00 0.00 0.00 179.25 180.38 1jfz h LEU 646 N 1.29 -0.64 -0.87 0.00 6.46 0.10 -2.61 115.31 119.03 1jfz h LEU 646 Ca 0.35 -0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.95 1jfz h LEU 646 Cb -0.14 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1jfz h LEU 646 CO -0.07 -0.31 -0.35 0.58 -0.62 0.00 0.00 178.44 177.67 1jfz h VAL 647 N -0.99 1.29 -0.18 1.05 2.07 0.47 -2.28 116.25 117.68 1jfz h VAL 647 Ca -0.08 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.06 1jfz h VAL 647 Cb 0.65 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1jfz h VAL 647 CO 0.13 0.44 -0.22 -1.13 0.02 0.00 0.00 177.57 176.82 1jfz h ASN 648 N 0.35 -0.68 -0.44 0.57 -1.24 -1.24 -1.58 115.58 111.32 1jfz h ASN 648 Ca 0.04 0.12 0.06 0.00 0.71 0.00 0.00 56.30 57.22 1jfz h ASN 648 Cb 0.78 0.31 -0.05 0.00 0.73 0.00 0.00 38.32 40.10 1jfz h ASN 648 CO 0.06 -0.26 0.16 0.15 -1.29 0.00 0.00 177.43 176.25 1jfz h PHE 649 N -0.25 0.29 -0.87 0.67 3.57 -1.17 0.32 116.94 119.50 1jfz h PHE 649 Ca 0.12 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.76 1jfz h PHE 649 Cb 0.42 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 1jfz h PHE 649 CO -0.34 0.11 0.56 0.74 -2.23 0.00 0.00 178.31 177.15 1jfz h PHE 650 N 0.33 0.83 0.08 0.41 0.04 -0.79 0.29 116.94 118.14 1jfz h PHE 650 Ca 0.21 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.81 1jfz h PHE 650 Cb 0.20 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.10 1jfz h PHE 650 CO -0.15 0.34 -0.81 0.82 -0.60 0.00 0.00 178.31 177.91 1jfz h ILE 651 N 0.74 1.44 -0.73 -0.55 5.03 -0.63 -3.05 117.51 119.75 1jfz h ILE 651 Ca 0.42 -2.34 0.03 0.00 -0.12 0.00 0.00 64.86 62.86 1jfz h ILE 651 Cb 0.60 2.87 -0.05 0.00 -3.03 0.00 0.00 36.82 37.22 1jfz h ILE 651 CO -0.19 0.68 0.46 0.58 -0.68 0.00 0.00 178.15 179.00 1jfz h VAL 652 N -0.15 1.10 -0.64 1.67 2.07 0.25 -1.94 116.25 118.60 1jfz h VAL 652 Ca -0.12 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1jfz h VAL 652 Cb 1.56 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1jfz h VAL 652 CO 0.15 0.16 0.18 -0.78 0.02 0.00 0.00 177.57 177.31 1jfz h ASP 653 N 0.89 0.96 0.69 0.57 3.58 -1.03 -2.10 116.42 119.98 1jfz h ASP 653 Ca 0.29 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1jfz h ASP 653 Cb 0.02 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 40.83 1jfz h ASP 653 CO -0.11 0.93 -0.33 0.25 -2.88 0.00 0.00 179.24 177.09 1jfz h LEU 654 N 0.94 -0.79 -0.86 2.28 5.85 -1.37 -3.15 115.31 118.20 1jfz h LEU 654 Ca 0.20 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.17 1jfz h LEU 654 Cb 0.33 0.21 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 1jfz h LEU 654 CO -0.00 -0.56 0.04 0.25 -0.34 0.00 0.00 178.44 177.82 1jfz h LEU 655 N -0.93 -0.36 -1.51 2.25 6.46 -1.19 0.17 115.31 120.20 1jfz h LEU 655 Ca -0.09 0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1jfz h LEU 655 Cb 0.71 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1jfz h LEU 655 CO 0.15 -0.24 -0.19 0.58 -0.62 0.00 0.00 178.44 178.12 1jfz h VAL 656 N 0.09 0.62 0.11 1.05 2.07 -1.34 -2.58 116.25 116.26 1jfz h VAL 656 Ca 0.50 -0.87 -0.36 0.00 0.82 0.00 0.00 66.70 66.79 1jfz h VAL 656 Cb 0.95 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1jfz h VAL 656 CO -0.76 0.19 -2.00 0.00 0.02 0.00 0.00 177.57 175.01 1jfz n GLN 657 N -3.56 0.74 -1.01 1.57 6.02 -0.36 -4.54 117.38 116.26 1jfz n GLN 657 Ca -0.01 0.26 -0.09 0.00 -0.01 0.00 0.00 57.00 57.15 1jfz n GLN 657 Cb 0.34 -1.70 0.17 0.00 1.02 0.00 0.00 30.24 30.06 1jfz n GLN 657 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jfz n TYR 658 N -3.43 1.39 -4.95 1.08 4.01 0.44 -4.96 117.16 110.74 1jfz n TYR 658 Ca -0.31 -1.79 -0.32 0.00 -0.16 0.00 0.00 57.90 55.31 1jfz n TYR 658 Cb 1.05 -0.52 -0.15 0.00 -0.31 0.00 0.00 39.34 39.40 1jfz n TYR 658 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jfz s SER 659 N -2.70 3.73 0.03 7.72 0.15 -0.98 -4.86 113.70 116.79 1jfz s SER 659 Ca 0.47 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.67 1jfz s SER 659 Cb 0.41 -1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.43 1jfz s SER 659 CO -0.00 0.22 1.14 -0.65 1.20 0.00 0.00 173.24 175.15 1jfz h PRO 660 N 6.27 -0.11 -6.16 5.44 0.11 -1.93 -3.40 132.00 132.22 1jfz h PRO 660 Ca -0.31 0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.24 1jfz h PRO 660 Cb 1.20 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1jfz h PRO 660 CO 0.52 -0.07 -0.03 1.21 -0.21 0.00 0.00 178.00 179.42 1jfz s ASN 661 N -3.29 7.02 -0.16 -2.05 2.47 -1.26 -4.98 114.94 112.69 1jfz s ASN 661 Ca -0.04 1.21 0.16 0.00 0.42 0.00 0.00 52.86 54.62 1jfz s ASN 661 Cb 0.02 -2.36 0.69 0.00 -1.45 0.00 0.00 41.25 38.15 1jfz s ASN 661 CO 0.16 0.20 1.61 0.29 -3.72 0.00 0.00 177.10 175.63 1jfz n LYS 662 N 2.18 3.92 -3.82 0.43 4.01 -1.26 -4.61 118.16 119.01 1jfz n LYS 662 Ca -0.09 -2.92 -0.37 0.00 -0.51 0.00 0.00 58.31 54.42 1jfz n LYS 662 Cb 0.51 -1.97 -0.06 0.00 -0.51 0.00 0.00 35.03 33.00 1jfz n LYS 662 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1jfz s ARG 663 N -2.28 3.52 0.44 1.97 0.52 -1.26 -4.97 118.95 116.88 1jfz s ARG 663 Ca 0.49 -0.05 0.29 0.00 -0.52 0.00 0.00 55.73 55.94 1jfz s ARG 663 Cb 0.35 -3.19 1.39 0.00 0.52 0.00 0.00 34.95 34.02 1jfz s ARG 663 CO 0.18 0.76 1.65 1.49 0.02 0.00 0.00 175.30 179.40 1jfz h GLU 664 N 4.89 0.12 -0.01 3.54 4.57 -1.97 -0.78 114.58 124.94 1jfz h GLU 664 Ca -0.54 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1jfz h GLU 664 Cb 1.23 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1jfz h GLU 664 CO 0.59 0.08 -0.01 0.78 -1.18 0.00 0.00 179.01 179.27 1jfz h GLY 665 N 0.12 0.01 0.85 1.92 0.00 -1.99 0.74 103.07 104.73 1jfz h GLY 665 Ca 0.79 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 48.04 1jfz h GLY 665 CO -0.37 0.01 -0.06 -2.75 0.00 0.00 0.00 176.54 173.37 1jfz h PHE 666 N -0.51 0.54 -0.35 5.60 3.04 -1.60 -3.33 116.94 120.33 1jfz h PHE 666 Ca 0.00 -0.12 0.01 0.00 3.98 0.00 0.00 57.97 61.85 1jfz h PHE 666 Cb 0.53 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1jfz h PHE 666 CO 0.11 0.70 0.21 -0.07 -2.02 0.00 0.00 178.31 177.24 1jfz h LEU 667 N 0.22 0.35 0.08 0.59 3.38 -1.20 -3.29 115.31 115.44 1jfz h LEU 667 Ca 0.06 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1jfz h LEU 667 Cb 0.53 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jfz h LEU 667 CO 0.02 0.25 -0.16 0.28 0.09 0.00 0.00 178.44 178.93 1jfz h SER 668 N 0.43 -0.45 -0.32 -0.43 0.02 -0.95 -1.43 113.55 110.43 1jfz h SER 668 Ca 0.14 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 1jfz h SER 668 Cb -0.01 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1jfz h SER 668 CO -0.06 -0.23 -0.15 1.55 -1.14 0.00 0.00 176.83 176.81 1jfz h PRO 669 N -0.31 -0.09 0.00 3.45 0.13 -1.72 0.45 132.00 133.92 1jfz h PRO 669 Ca 0.03 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1jfz h PRO 669 Cb 0.33 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1jfz h PRO 669 CO -0.10 -0.06 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.36 1jfz h LEU 670 N -0.10 -0.52 -0.99 1.56 4.07 -1.62 -2.08 115.31 115.64 1jfz h LEU 670 Ca 0.16 0.07 0.12 0.00 0.08 0.00 0.00 57.88 58.32 1jfz h LEU 670 Cb 0.34 0.22 -0.14 0.00 1.08 0.00 0.00 40.66 42.16 1jfz h LEU 670 CO -0.38 -0.24 -0.49 1.17 -1.08 0.00 0.00 178.44 177.42 1jfz n LYS 671 N -5.31 -0.34 -0.34 1.13 4.81 -0.55 0.98 118.16 118.55 1jfz n LYS 671 Ca -0.05 1.51 0.22 0.00 -0.87 0.00 0.00 58.31 59.12 1jfz n LYS 671 Cb 0.23 -2.22 0.48 0.00 0.02 0.00 0.00 35.03 33.53 1jfz n LYS 671 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jfz h ALA 672 N 0.91 2.12 0.25 3.14 0.00 0.54 -2.64 119.26 123.58 1jfz h ALA 672 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jfz h ALA 672 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jfz h ALA 672 CO -0.95 -0.57 -0.12 -0.92 0.00 0.00 0.00 179.25 176.69 1jfz h TYR 673 N 0.43 -0.31 0.00 0.00 3.20 0.11 -3.29 116.97 117.12 1jfz h TYR 673 Ca 0.62 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.49 1jfz h TYR 673 Cb 1.48 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.85 1jfz h TYR 673 CO -0.00 -0.12 0.00 1.28 -1.64 0.00 0.00 178.16 177.67 1jfz n LEU 674 N -4.99 0.00 -0.39 2.82 4.77 -0.63 0.09 117.00 118.66 1jfz n LEU 674 Ca -0.05 0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1jfz n LEU 674 Cb 0.16 -0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 1jfz n LEU 674 CO 0.13 -0.04 0.43 2.30 -1.33 0.00 0.00 177.39 178.89 1jfz n ILE 675 N -1.04 1.71 -2.07 -0.08 -5.35 -1.05 -4.79 119.36 106.68 1jfz n ILE 675 Ca 0.03 -2.33 -0.28 0.00 -0.27 0.00 0.00 62.75 59.91 1jfz n ILE 675 Cb 0.02 -0.09 0.10 0.00 -1.74 0.00 0.00 39.64 37.93 1jfz n ILE 675 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jfz s SER 676 N -2.78 4.36 0.16 7.28 1.04 0.11 -4.88 113.70 118.98 1jfz s SER 676 Ca 0.31 0.49 -0.13 0.00 0.48 0.00 0.00 55.95 57.10 1jfz s SER 676 Cb 0.29 -0.95 0.05 0.00 0.10 0.00 0.00 66.02 65.51 1jfz s SER 676 CO -0.02 -1.94 1.70 -0.08 0.98 0.00 0.00 173.24 173.88 1jfz h GLU 677 N -0.95 0.80 0.48 4.02 4.81 -1.92 0.11 114.58 121.93 1jfz h GLU 677 Ca -0.44 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 1jfz h GLU 677 Cb 1.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1jfz h GLU 677 CO 0.57 0.72 -0.43 1.49 -0.73 0.00 0.00 179.01 180.63 1jfz h GLU 678 N 0.72 -0.87 -0.25 1.92 4.81 -1.91 0.62 114.58 119.62 1jfz h GLU 678 Ca 0.17 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1jfz h GLU 678 Cb 0.22 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1jfz h GLU 678 CO -0.01 -0.58 -0.28 0.35 -0.73 0.00 0.00 179.01 177.76 1jfz h PHE 679 N -0.90 0.57 -0.16 0.92 3.57 -1.78 -1.91 116.94 117.24 1jfz h PHE 679 Ca -0.05 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1jfz h PHE 679 Cb 0.79 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1jfz h PHE 679 CO -0.20 0.73 0.08 0.74 -2.23 0.00 0.00 178.31 177.43 1jfz h PHE 680 N 0.44 0.23 -0.67 0.41 -1.00 -0.79 -2.06 116.94 113.50 1jfz h PHE 680 Ca 0.06 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.86 1jfz h PHE 680 Cb 0.71 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 1jfz h PHE 680 CO 0.02 0.26 0.44 -0.91 -1.61 0.00 0.00 178.31 176.52 1jfz h ASN 681 N 0.14 0.69 0.06 2.17 2.35 -0.78 0.11 115.58 120.31 1jfz h ASN 681 Ca 0.06 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1jfz h ASN 681 Cb 0.11 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1jfz h ASN 681 CO -0.01 0.47 -0.01 0.25 -1.65 0.00 0.00 177.43 176.48 1jfz h LEU 682 N 0.80 0.00 0.00 1.61 5.85 -0.73 -2.00 115.31 120.84 1jfz h LEU 682 Ca 0.27 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.73 1jfz h LEU 682 Cb 0.08 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1jfz h LEU 682 CO -0.08 0.01 -2.02 0.18 -0.34 0.00 0.00 178.44 176.20 1jfz n LEU 683 N -3.66 0.33 -0.18 2.25 4.77 0.24 -4.26 117.00 116.50 1jfz n LEU 683 Ca -0.03 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 1jfz n LEU 683 Cb 0.10 0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1jfz n LEU 683 CO 0.26 0.34 0.98 0.00 -1.33 0.00 0.00 177.39 177.64 1jfz h ALA 684 N 1.22 0.66 -0.76 -1.18 0.00 -0.50 -2.20 119.26 116.50 1jfz h ALA 684 Ca -0.35 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.58 1jfz h ALA 684 Cb 1.90 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1jfz h ALA 684 CO 0.04 0.24 0.51 1.96 0.00 0.00 0.00 179.25 182.00 1jfz h GLN 685 N 0.68 0.38 -0.60 0.00 1.08 -1.59 1.62 115.11 116.68 1jfz h GLN 685 Ca 0.17 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.46 1jfz h GLN 685 Cb 0.16 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1jfz h GLN 685 CO -0.02 0.25 0.40 0.87 -0.95 0.00 0.00 178.83 179.39 1jfz h LYS 686 N 0.39 0.35 0.00 1.46 1.57 -1.57 -1.52 116.57 117.24 1jfz h LYS 686 Ca 0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1jfz h LYS 686 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1jfz h LYS 686 CO -0.12 0.23 -1.36 1.28 -0.57 0.00 0.00 179.45 178.91 1jfz n LEU 687 N -4.46 0.48 -1.97 2.94 4.77 0.49 -4.98 117.00 114.27 1jfz n LEU 687 Ca 0.10 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 1jfz n LEU 687 Cb 0.41 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1jfz n LEU 687 CO 0.34 0.02 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.75 1jfz n GLU 688 N -2.12 -2.70 -0.19 3.23 1.02 0.21 -4.91 120.64 115.19 1jfz n GLU 688 Ca -0.00 0.64 0.17 0.00 -0.02 0.00 0.00 57.16 57.95 1jfz n GLU 688 Cb 0.49 -4.90 0.52 0.00 -0.02 0.00 0.00 31.44 27.53 1jfz n GLU 688 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jfz h LEU 689 N -0.68 0.37 -1.47 -4.62 3.38 -1.81 0.38 115.31 110.87 1jfz h LEU 689 Ca -0.35 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jfz h LEU 689 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1jfz h LEU 689 CO 0.39 0.17 0.00 1.12 0.09 0.00 0.00 178.44 180.21 1jfz h HIS 690 N 0.38 0.00 0.00 1.13 2.07 -1.91 -1.51 115.15 115.31 1jfz h HIS 690 Ca 0.40 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.82 1jfz h HIS 690 Cb 1.01 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.97 1jfz h HIS 690 CO -0.00 0.00 -1.07 0.87 -3.07 0.00 0.00 177.93 174.66 1jfz h LYS 691 N 0.00 0.00 -0.01 5.12 1.57 -1.29 -3.31 116.57 118.64 1jfz h LYS 691 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jfz h LYS 691 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jfz h LYS 691 CO 0.00 0.22 -0.21 1.19 -0.57 0.00 0.00 179.45 180.08 1jfz n PHE 692 N -2.89 0.00 -2.33 -1.35 3.01 -0.62 -4.89 117.46 108.38 1jfz n PHE 692 Ca -0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.99 1jfz n PHE 692 Cb 0.72 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 40.11 1jfz n PHE 692 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1jfz s ILE 693 N -2.34 4.08 -0.46 4.37 -1.09 -0.87 -4.83 121.20 120.05 1jfz s ILE 693 Ca 0.27 1.35 -0.19 0.00 -2.23 0.00 0.00 60.65 59.85 1jfz s ILE 693 Cb 0.20 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1jfz s ILE 693 CO 0.47 -0.08 0.56 -0.13 -1.23 0.00 0.00 174.94 174.52 1jfz s ARG 694 N 3.20 3.14 -0.10 2.79 0.52 0.09 -5.02 118.95 123.57 1jfz s ARG 694 Ca 0.59 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.87 1jfz s ARG 694 Cb -0.26 -4.02 0.04 0.00 0.52 0.00 0.00 34.95 31.24 1jfz s ARG 694 CO 0.20 -1.04 0.47 -1.50 0.02 0.00 0.00 175.30 173.45 1jfz s ILE 695 N 2.47 0.02 0.16 1.52 2.07 -1.26 -1.22 121.20 124.96 1jfz s ILE 695 Ca 0.15 -0.16 -0.33 0.00 -1.41 0.00 0.00 60.65 58.91 1jfz s ILE 695 Cb -0.17 -0.72 -0.16 0.00 0.13 0.00 0.00 42.46 41.53 1jfz s ILE 695 CO 0.14 -0.09 1.08 0.29 -1.91 0.00 0.00 174.94 174.46 1jfz n LYS 696 N 1.92 0.93 -1.63 3.50 4.76 -1.26 -4.78 118.16 121.60 1jfz n LYS 696 Ca -0.17 0.33 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 1jfz n LYS 696 Cb 0.56 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.98 1jfz n LYS 696 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jfz n ARG 697 N 1.61 1.59 0.00 1.97 1.74 -1.26 -3.78 116.66 118.53 1jfz n ARG 697 Ca 0.16 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1jfz n ARG 697 Cb 0.23 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1jfz n ARG 697 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfz n GLY 698 N 1.07 1.97 2.58 -0.13 0.00 -1.26 -4.96 105.19 104.46 1jfz n GLY 698 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1jfz n GLY 698 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jfz n LYS 699 N -2.00 2.36 0.00 1.61 2.85 -1.25 -5.02 118.16 116.71 1jfz n LYS 699 Ca 0.00 -4.06 0.00 0.00 -1.05 0.00 0.00 58.31 53.20 1jfz n LYS 699 Cb 0.00 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 1jfz n LYS 699 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1jfz n ILE 700 N -0.19 0.00 0.00 0.58 5.41 -1.26 -5.05 119.36 118.86 1jfz n ILE 700 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.02 1jfz n ILE 700 Cb 0.64 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1jfz n ILE 700 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1jfz n ASN 701 N 0.00 0.00 -0.00 4.38 2.85 -1.26 -4.59 115.26 116.64 1jfz n ASN 701 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1jfz n ASN 701 Cb 0.00 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.34 1jfz n ASN 701 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1jfz n GLU 702 N -1.53 0.01 -0.05 1.20 1.02 -1.26 -3.05 120.64 116.99 1jfz n GLU 702 Ca 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1jfz n GLU 702 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1jfz n GLU 702 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1jfz h THR 703 N 0.01 0.45 -0.35 2.62 2.02 -1.94 -2.35 112.91 113.38 1jfz h THR 703 Ca 0.00 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 1jfz h THR 703 Cb 0.50 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1jfz h THR 703 CO 0.00 0.15 0.07 -0.29 0.37 0.00 0.00 175.52 175.82 1jfz h ILE 704 N -1.00 1.17 -0.67 3.11 2.10 -1.81 0.55 117.51 120.96 1jfz h ILE 704 Ca -0.00 -0.61 -0.05 0.00 1.08 0.00 0.00 64.86 65.28 1jfz h ILE 704 Cb 0.26 0.83 -0.03 0.00 -1.09 0.00 0.00 36.82 36.79 1jfz h ILE 704 CO 0.00 0.22 0.22 0.40 -1.08 0.00 0.00 178.15 177.91 1jfz h ILE 705 N 0.50 1.25 -0.22 2.19 2.04 -1.69 0.37 117.51 121.95 1jfz h ILE 705 Ca 0.12 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1jfz h ILE 705 Cb 0.21 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jfz h ILE 705 CO -0.00 0.33 0.07 1.23 0.00 0.00 0.00 178.15 179.77 1jfz h GLY 706 N 0.96 0.38 1.00 5.37 0.00 -0.48 0.49 103.07 110.78 1jfz h GLY 706 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jfz h GLY 706 CO -0.01 0.21 0.07 -0.55 0.00 0.00 0.00 176.54 176.26 1jfz h ASP 707 N 0.19 0.11 -0.41 0.19 3.32 -0.72 -0.78 116.42 118.32 1jfz h ASP 707 Ca 0.07 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1jfz h ASP 707 Cb 0.24 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1jfz h ASP 707 CO -0.00 0.08 0.28 0.58 -1.72 0.00 0.00 179.24 178.46 1jfz h VAL 708 N 0.14 0.96 -0.76 -1.35 2.07 -0.14 0.89 116.25 118.05 1jfz h VAL 708 Ca 0.04 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1jfz h VAL 708 Cb -0.01 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1jfz h VAL 708 CO -0.01 0.06 0.45 0.15 0.02 0.00 0.00 177.57 178.23 1jfz h PHE 709 N 0.32 0.82 -0.19 1.57 3.57 0.51 0.24 116.94 123.78 1jfz h PHE 709 Ca 0.18 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.50 1jfz h PHE 709 Cb 0.30 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1jfz h PHE 709 CO -0.00 0.40 -0.68 0.93 -2.23 0.00 0.00 178.31 176.73 1jfz h GLU 710 N 0.81 0.75 -0.77 1.11 5.08 0.76 -3.10 114.58 119.22 1jfz h GLU 710 Ca 0.34 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1jfz h GLU 710 Cb 0.19 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1jfz h GLU 710 CO -0.18 1.17 0.30 0.00 -1.00 0.00 0.00 179.01 179.30 1jfz h ALA 711 N 0.69 1.01 0.20 3.43 0.00 0.11 -2.52 119.26 122.18 1jfz h ALA 711 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jfz h ALA 711 Cb 1.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1jfz h ALA 711 CO 0.14 0.64 -0.18 1.25 0.00 0.00 0.00 179.25 181.10 1jfz h LEU 712 N 1.13 -0.49 -2.01 0.00 5.85 -0.52 0.28 115.31 119.54 1jfz h LEU 712 Ca 0.26 0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.17 1jfz h LEU 712 Cb 0.23 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1jfz h LEU 712 CO -0.02 -0.25 0.43 -0.50 -0.34 0.00 0.00 178.44 177.76 1jfz h TRP 713 N -0.38 0.00 -0.39 1.25 4.06 -1.53 1.52 115.95 120.49 1jfz h TRP 713 Ca -0.03 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.78 1jfz h TRP 713 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 1jfz h TRP 713 CO -0.11 0.00 -0.30 0.00 -3.56 0.00 0.00 178.44 174.47 1jfz h ALA 714 N 1.66 0.56 -0.79 1.49 0.00 -1.18 -1.66 119.26 119.34 1jfz h ALA 714 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jfz h ALA 714 Cb 1.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1jfz h ALA 714 CO -0.00 0.60 0.37 0.00 0.00 0.00 0.00 179.25 180.22 1jfz h ALA 715 N 0.79 1.02 -0.36 0.00 0.00 0.57 -1.61 119.26 119.67 1jfz h ALA 715 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1jfz h ALA 715 Cb 0.88 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jfz h ALA 715 CO 0.08 0.59 -0.24 0.28 0.00 0.00 0.00 179.25 179.96 1jfz h VAL 716 N 1.12 1.29 -0.46 0.00 2.07 -0.61 -1.66 116.25 117.99 1jfz h VAL 716 Ca 0.27 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1jfz h VAL 716 Cb 0.13 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 1jfz h VAL 716 CO -0.03 0.46 -0.11 0.22 0.02 0.00 0.00 177.57 178.13 1jfz h TYR 717 N 0.59 -0.23 -0.07 1.57 3.20 -0.99 -0.53 116.97 120.50 1jfz h TYR 717 Ca 0.07 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.81 1jfz h TYR 717 Cb 0.81 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1jfz h TYR 717 CO 0.06 -0.19 -0.69 0.82 -1.64 0.00 0.00 178.16 176.52 1jfz h ILE 718 N 0.01 1.39 0.00 1.81 2.04 -1.19 -1.39 117.51 120.18 1jfz h ILE 718 Ca 0.22 -2.12 -0.10 0.00 1.00 0.00 0.00 64.86 63.86 1jfz h ILE 718 Cb 0.34 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1jfz h ILE 718 CO -0.47 0.63 -0.49 -0.78 0.00 0.00 0.00 178.15 177.05 1jfz h ASP 719 N 0.23 0.00 -0.01 1.72 3.58 -0.57 -2.64 116.42 118.73 1jfz h ASP 719 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1jfz h ASP 719 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1jfz h ASP 719 CO 0.11 0.49 0.00 -1.54 -2.88 0.00 0.00 179.24 175.42 1jfz n SER 720 N -3.89 0.49 -2.48 2.28 3.41 -0.28 -4.77 113.62 108.39 1jfz n SER 720 Ca -0.01 -2.01 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 1jfz n SER 720 Cb 0.52 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1jfz n SER 720 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfz n GLY 721 N 0.31 -0.06 4.07 5.00 0.00 -1.00 -3.59 105.19 109.92 1jfz n GLY 721 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1jfz n GLY 721 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz n ARG 722 N -2.89 -0.31 -3.20 1.61 1.74 -0.53 -4.90 116.66 108.18 1jfz n ARG 722 Ca -0.17 -0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.45 1jfz n ARG 722 Cb 0.60 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 1jfz n ARG 722 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jfz s ASP 723 N -3.71 6.55 0.21 0.55 -1.08 -1.23 -4.93 116.67 113.02 1jfz s ASP 723 Ca 0.42 -2.20 -0.07 0.00 -0.52 0.00 0.00 52.55 50.18 1jfz s ASP 723 Cb -0.24 -2.27 0.15 0.00 -1.46 0.00 0.00 42.92 39.10 1jfz s ASP 723 CO 0.88 -0.82 1.69 0.00 0.52 0.00 0.00 175.17 177.45 1jfz h ALA 724 N 8.41 0.93 -0.05 3.66 0.00 -1.90 -1.78 119.26 128.54 1jfz h ALA 724 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1jfz h ALA 724 Cb 1.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jfz h ALA 724 CO 0.93 0.65 0.00 -0.91 0.00 0.00 0.00 179.25 179.92 1jfz h ASN 725 N 0.97 0.08 0.27 0.00 2.35 -1.99 -1.17 115.58 116.09 1jfz h ASN 725 Ca 0.18 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1jfz h ASN 725 Cb 0.48 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1jfz h ASN 725 CO 0.02 0.36 -0.45 0.15 -1.65 0.00 0.00 177.43 175.87 1jfz h PHE 726 N -0.21 -1.25 -0.12 1.19 3.57 -1.98 -0.06 116.94 118.08 1jfz h PHE 726 Ca 0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1jfz h PHE 726 Cb 0.32 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1jfz h PHE 726 CO 0.03 -0.57 0.11 1.15 -2.23 0.00 0.00 178.31 176.80 1jfz h THR 727 N -0.78 0.67 -0.05 4.41 2.02 -1.33 0.11 112.91 117.96 1jfz h THR 727 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1jfz h THR 727 Cb 0.74 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1jfz h THR 727 CO -0.17 0.00 -0.20 -0.09 0.37 0.00 0.00 175.52 175.43 1jfz h ARG 728 N 0.00 0.23 -0.46 6.66 2.43 -0.71 -2.15 114.38 120.38 1jfz h ARG 728 Ca 0.06 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1jfz h ARG 728 Cb 0.27 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1jfz h ARG 728 CO -0.00 0.82 -0.05 0.93 -1.51 0.00 0.00 179.97 180.15 1jfz h GLU 729 N -0.31 0.79 -0.22 0.20 4.39 0.47 0.42 114.58 120.31 1jfz h GLU 729 Ca -0.01 -0.24 0.05 0.00 0.34 0.00 0.00 59.36 59.51 1jfz h GLU 729 Cb 0.85 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 1jfz h GLU 729 CO 0.04 0.83 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.51 1jfz h LEU 730 N 0.72 -0.46 -0.40 1.33 3.38 -0.88 0.93 115.31 119.94 1jfz h LEU 730 Ca 0.13 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jfz h LEU 730 Cb 0.52 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1jfz h LEU 730 CO 0.03 -0.18 0.25 0.15 0.09 0.00 0.00 178.44 178.78 1jfz h PHE 731 N -0.13 0.46 -0.79 1.13 3.04 -0.68 -2.91 116.94 117.07 1jfz h PHE 731 Ca 0.13 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1jfz h PHE 731 Cb 0.32 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 1jfz h PHE 731 CO -0.30 0.28 0.38 1.88 -2.02 0.00 0.00 178.31 178.53 1jfz h TYR 732 N 0.50 1.13 -0.99 0.41 0.05 0.28 -0.42 116.97 117.93 1jfz h TYR 732 Ca 0.15 -0.05 0.15 0.00 0.05 0.00 0.00 58.73 59.03 1jfz h TYR 732 Cb -0.02 -0.35 -0.09 0.00 1.01 0.00 0.00 36.73 37.28 1jfz h TYR 732 CO -0.06 0.82 0.62 -0.22 -1.05 0.00 0.00 178.16 178.27 1jfz h LYS 733 N 1.11 0.84 0.15 4.88 1.63 -0.62 0.11 116.57 124.67 1jfz h LYS 733 Ca 0.27 -0.05 -0.34 0.00 -0.85 0.00 0.00 60.65 59.68 1jfz h LYS 733 Cb 0.11 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1jfz h LYS 733 CO -0.04 0.55 -1.73 -0.07 -3.45 0.00 0.00 179.45 174.72 1jfz h LEU 734 N 0.86 0.51 -1.95 5.20 3.38 -1.34 -3.42 115.31 118.55 1jfz h LEU 734 Ca 0.53 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jfz h LEU 734 Cb 0.69 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jfz h LEU 734 CO -0.30 1.68 -0.06 0.49 0.09 0.00 0.00 178.44 180.34 1jfz n PHE 735 N -3.52 0.00 0.03 1.13 3.72 -0.22 -4.83 117.46 113.76 1jfz n PHE 735 Ca -0.23 -0.25 -0.13 0.00 -0.05 0.00 0.00 57.45 56.79 1jfz n PHE 735 Cb 1.06 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 39.48 1jfz n PHE 735 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1jfz h LYS 736 N 0.00 -0.07 -0.85 -1.08 3.64 -0.94 -1.82 116.57 115.46 1jfz h LYS 736 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1jfz h LYS 736 Cb 0.87 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.63 1jfz h LYS 736 CO 0.00 0.26 0.47 0.93 -2.27 0.00 0.00 179.45 178.84 1jfz h GLU 737 N -0.41 0.71 -0.14 1.90 4.39 -1.88 0.25 114.58 119.40 1jfz h GLU 737 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1jfz h GLU 737 Cb 0.36 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jfz h GLU 737 CO 0.01 0.47 0.04 -0.44 -1.16 0.00 0.00 179.01 177.93 1jfz h ASP 738 N 0.73 0.21 -0.82 1.42 3.32 -1.87 0.12 116.42 119.53 1jfz h ASP 738 Ca 0.43 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1jfz h ASP 738 Cb 0.51 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1jfz h ASP 738 CO -0.30 0.37 0.40 0.40 -1.72 0.00 0.00 179.24 178.39 1jfz h ILE 739 N 0.03 1.25 -0.59 0.35 2.04 -0.45 -0.19 117.51 119.96 1jfz h ILE 739 Ca 0.04 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1jfz h ILE 739 Cb 0.24 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1jfz h ILE 739 CO -0.00 0.30 0.01 -0.07 0.00 0.00 0.00 178.15 178.39 1jfz h LEU 740 N 1.15 1.01 -0.18 1.44 4.07 -0.30 0.59 115.31 123.10 1jfz h LEU 740 Ca 0.28 -0.30 -0.23 0.00 0.08 0.00 0.00 57.88 57.71 1jfz h LEU 740 Cb 0.10 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 41.58 1jfz h LEU 740 CO -0.04 1.07 -0.88 0.77 -1.08 0.00 0.00 178.44 178.28 1jfz h SER 741 N 0.93 0.70 -0.70 -0.43 4.64 -0.63 -3.16 113.55 114.90 1jfz h SER 741 Ca 0.17 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1jfz h SER 741 Cb 0.54 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1jfz h SER 741 CO 0.03 1.30 0.38 0.00 -0.87 0.00 0.00 176.83 177.67 1jfz h ALA 742 N 0.67 0.90 -1.02 5.18 0.00 -0.79 -2.25 119.26 121.96 1jfz h ALA 742 Ca -0.07 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.00 1jfz h ALA 742 Cb 1.50 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1jfz h ALA 742 CO 0.16 0.42 0.70 0.82 0.00 0.00 0.00 179.25 181.35 1jfz h ILE 743 N 0.97 0.53 0.00 0.00 2.04 0.23 0.33 117.51 121.61 1jfz h ILE 743 Ca 0.25 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.91 1jfz h ILE 743 Cb 0.05 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1jfz h ILE 743 CO -0.04 0.03 -0.27 1.17 0.00 0.00 0.00 178.15 179.05 1jfz n LYS 744 N -4.40 1.69 0.00 2.37 3.00 -0.85 -3.48 118.16 116.49 1jfz n LYS 744 Ca 0.23 -0.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.82 1jfz n LYS 744 Cb 0.97 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1jfz n LYS 744 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jfz n GLU 745 N 2.24 0.00 0.00 1.64 4.07 -0.97 -5.10 120.64 122.53 1jfz n GLU 745 Ca 0.31 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 1jfz n GLU 745 Cb 0.79 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.17 1jfz n GLU 745 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jfz n GLY 746 N 0.00 2.87 1.25 8.31 0.00 0.11 -4.99 105.19 112.74 1jfz n GLY 746 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jfz n GLY 746 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86