#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fze h SER 592 N 0.00 0.35 -0.08 1.61 0.02 -1.99 -1.20 113.55 112.26 3fze h SER 592 Ca 0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3fze h SER 592 Cb 0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3fze h SER 592 CO 0.00 0.25 -0.08 0.25 -1.14 0.00 0.00 176.83 176.11 3fze h LEU 593 N 0.45 -0.24 -0.59 5.07 5.85 -1.99 -1.04 115.31 122.81 3fze h LEU 593 Ca 0.17 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 3fze h LEU 593 Cb 0.04 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3fze h LEU 593 CO -0.09 -0.11 -0.63 0.71 -0.34 0.00 0.00 178.44 177.97 3fze h THR 594 N -0.10 1.39 -0.21 1.05 1.35 -1.89 -0.94 112.91 113.56 3fze h THR 594 Ca 0.06 -2.04 0.02 0.00 -0.55 0.00 0.00 66.41 63.90 3fze h THR 594 Cb 0.18 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3fze h THR 594 CO -0.14 0.60 0.07 0.74 -0.25 0.00 0.00 175.52 176.55 3fze h THR 595 N 0.19 0.95 0.11 6.82 2.02 -1.03 0.12 112.91 122.10 3fze h THR 595 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3fze h THR 595 Cb 1.16 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3fze h THR 595 CO 0.10 0.03 -0.05 0.40 0.37 0.00 0.00 175.52 176.37 3fze h ILE 596 N 0.17 0.90 -0.32 3.11 2.04 -0.92 -1.15 117.51 121.34 3fze h ILE 596 Ca 0.09 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3fze h ILE 596 Cb 0.05 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3fze h ILE 596 CO -0.09 0.01 -0.13 0.77 0.00 0.00 0.00 178.15 178.71 3fze h SER 597 N -0.17 0.54 -0.52 1.72 4.64 -1.09 0.94 113.55 119.61 3fze h SER 597 Ca -0.02 -0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 3fze h SER 597 Cb 0.14 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3fze h SER 597 CO 0.03 0.70 -0.15 0.77 -0.87 0.00 0.00 176.83 177.31 3fze h SER 598 N 0.51 1.03 -0.28 4.97 4.64 -0.62 -0.75 113.55 123.06 3fze h SER 598 Ca 0.09 -0.36 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 3fze h SER 598 Cb 0.53 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3fze h SER 598 CO 0.03 1.16 -0.39 0.40 -0.87 0.00 0.00 176.83 177.16 3fze h ILE 599 N 0.89 1.28 -0.95 0.95 2.04 -0.92 -2.62 117.51 118.19 3fze h ILE 599 Ca 0.13 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.43 3fze h ILE 599 Cb 0.72 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3fze h ILE 599 CO 0.06 0.52 0.62 0.25 0.00 0.00 0.00 178.15 179.59 3fze h LEU 600 N 0.68 1.11 -0.38 1.44 5.85 -0.64 -0.53 115.31 122.83 3fze h LEU 600 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3fze h LEU 600 Cb 0.96 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3fze h LEU 600 CO 0.09 0.82 0.20 -1.28 -0.34 0.00 0.00 178.44 177.93 3fze h SER 601 N 1.30 0.48 -0.09 1.25 0.87 -0.96 0.48 113.55 116.89 3fze h SER 601 Ca 0.35 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3fze h SER 601 Cb -0.13 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 3fze h SER 601 CO -0.07 0.44 0.05 0.25 -0.53 0.00 0.00 176.83 176.97 3fze h LEU 602 N 0.49 0.11 -0.92 2.23 5.85 -1.08 -2.63 115.31 119.36 3fze h LEU 602 Ca 0.13 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3fze h LEU 602 Cb 0.07 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3fze h LEU 602 CO -0.02 0.16 0.58 0.50 -0.34 0.00 0.00 178.44 179.32 3fze h LYS 603 N 0.05 0.98 -0.98 1.25 3.64 -0.88 -1.42 116.57 119.21 3fze h LYS 603 Ca 0.03 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 3fze h LYS 603 Cb 0.08 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 31.59 3fze h LYS 603 CO -0.01 0.65 0.62 -0.09 -2.27 0.00 0.00 179.45 178.35 3fze h ARG 604 N 1.01 0.85 0.00 1.90 9.65 -0.54 -1.20 114.38 126.05 3fze h ARG 604 Ca 0.42 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 3fze h ARG 604 Cb 0.26 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3fze h ARG 604 CO -0.20 0.56 0.00 0.39 2.80 0.00 0.00 179.97 183.52 3fze n GLU 605 N -4.63 0.53 -3.80 0.20 1.02 -0.53 -4.91 120.64 108.52 3fze n GLU 605 Ca 0.19 0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 3fze n GLU 605 Cb 0.42 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3fze n GLU 605 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fze n LYS 606 N -1.07 -0.97 -1.96 3.49 5.02 -0.46 -4.91 118.16 117.32 3fze n LYS 606 Ca 0.13 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.52 3fze n LYS 606 Cb 0.08 -3.22 0.02 0.00 -0.02 0.00 0.00 35.03 31.90 3fze n LYS 606 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fze s PRO 607 N -5.98 3.47 0.42 1.97 0.04 -1.26 -4.92 135.00 128.74 3fze s PRO 607 Ca 0.32 2.11 0.23 0.00 0.04 0.00 0.00 61.00 63.70 3fze s PRO 607 Cb -0.15 -2.40 0.54 0.00 0.04 0.00 0.00 34.50 32.53 3fze s PRO 607 CO 0.90 -0.88 1.67 -0.44 0.04 0.00 0.00 177.00 178.28 3fze h ASP 608 N 1.86 0.00 -4.92 6.66 3.32 -1.15 -3.48 116.42 118.71 3fze h ASP 608 Ca -0.50 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.61 3fze h ASP 608 Cb 1.27 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.71 3fze h ASP 608 CO 0.59 0.14 0.35 0.21 -1.72 0.00 0.00 179.24 178.81 3fze s ASN 609 N -6.17 -0.40 0.10 6.45 2.47 -1.19 -4.97 114.94 111.22 3fze s ASN 609 Ca 0.04 -0.14 0.08 0.00 0.42 0.00 0.00 52.86 53.26 3fze s ASN 609 Cb 0.07 0.53 -0.03 0.00 -1.45 0.00 0.00 41.25 40.36 3fze s ASN 609 CO 0.66 -0.89 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.19 3fze s LEU 610 N -2.71 2.30 -0.19 3.21 1.43 -1.26 -0.84 118.68 120.62 3fze s LEU 610 Ca 0.05 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3fze s LEU 610 Cb -0.02 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3fze s LEU 610 CO -0.07 0.03 -0.13 0.00 0.23 0.00 0.00 176.35 176.41 3fze s ALA 611 N -1.21 2.54 -0.30 4.21 0.00 -0.04 -1.84 121.76 125.11 3fze s ALA 611 Ca 0.05 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 3fze s ALA 611 Cb -0.10 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.65 3fze s ALA 611 CO 0.04 -0.33 0.10 0.42 0.00 0.00 0.00 175.76 175.99 3fze s ILE 612 N 1.29 4.11 -0.28 0.00 1.01 0.15 -1.48 121.20 126.01 3fze s ILE 612 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3fze s ILE 612 Cb -0.14 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 3fze s ILE 612 CO -0.07 0.05 0.09 -0.63 0.00 0.00 0.00 174.94 174.37 3fze s ILE 613 N 1.52 4.14 -0.19 2.92 1.01 0.75 -1.29 121.20 130.05 3fze s ILE 613 Ca 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3fze s ILE 613 Cb -0.17 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.25 3fze s ILE 613 CO 0.03 0.16 -0.18 -0.76 0.00 0.00 0.00 174.94 174.19 3fze s LEU 614 N 1.55 2.34 -0.28 2.97 1.43 0.04 -0.62 118.68 126.11 3fze s LEU 614 Ca 0.04 -0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 3fze s LEU 614 Cb -0.16 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3fze s LEU 614 CO 0.03 -0.03 0.10 -1.58 0.23 0.00 0.00 176.35 175.10 3fze s GLN 615 N 1.26 3.47 -0.18 1.70 0.74 0.18 -0.86 119.66 125.97 3fze s GLN 615 Ca 0.03 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.84 3fze s GLN 615 Cb -0.14 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.57 3fze s GLN 615 CO -0.12 -0.30 -0.18 0.42 -0.55 0.00 0.00 175.29 174.56 3fze s ILE 616 N 1.60 2.25 -0.50 -2.34 1.01 -0.47 -2.48 121.20 120.28 3fze s ILE 616 Ca 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 3fze s ILE 616 Cb -0.16 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.40 3fze s ILE 616 CO 0.04 0.53 0.72 -0.62 0.00 0.00 0.00 174.94 175.61 3fze s ASP 617 N 1.20 6.29 0.48 3.58 -1.08 -1.26 -3.76 116.67 122.11 3fze s ASP 617 Ca 0.02 -0.58 0.27 0.00 -0.52 0.00 0.00 52.55 51.75 3fze s ASP 617 Cb -0.14 -2.34 1.07 0.00 -1.46 0.00 0.00 42.92 40.06 3fze s ASP 617 CO -0.09 -0.95 1.88 -0.26 0.52 0.00 0.00 175.17 176.27 3fze h PHE 618 N 9.05 0.00 0.00 -5.34 0.04 -1.98 -2.89 116.94 115.82 3fze h PHE 618 Ca -0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 3fze h PHE 618 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 3fze h PHE 618 CO 0.79 0.15 -0.00 1.79 -0.60 0.00 0.00 178.31 180.43 3fze h THR 619 N 0.00 0.01 0.00 -1.55 1.35 -2.02 -2.69 112.91 108.01 3fze h THR 619 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3fze h THR 619 Cb 0.66 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3fze h THR 619 CO 0.02 0.00 -0.21 0.29 -0.25 0.00 0.00 175.52 175.37 3fze n LYS 620 N -3.10 0.15 -2.47 4.72 5.02 -1.09 -4.78 118.16 116.61 3fze n LYS 620 Ca 0.01 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3fze n LYS 620 Cb 0.34 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3fze n LYS 620 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fze s LEU 621 N -3.76 3.76 0.00 -0.35 1.43 -1.02 -4.89 118.68 113.86 3fze s LEU 621 Ca 0.11 0.94 0.26 0.00 -1.03 0.00 0.00 54.13 54.41 3fze s LEU 621 Cb 0.15 -3.54 0.77 0.00 0.03 0.00 0.00 46.19 43.60 3fze s LEU 621 CO 0.62 -1.18 1.58 2.29 0.23 0.00 0.00 176.35 179.88 3fze n LYS 622 N 7.57 0.54 -3.79 1.70 -0.00 -1.26 -4.94 118.16 117.98 3fze n LYS 622 Ca 0.14 -0.30 -0.09 0.00 -0.00 0.00 0.00 58.31 58.07 3fze n LYS 622 Cb 0.47 -1.49 0.03 0.00 -0.00 0.00 0.00 35.03 34.04 3fze n LYS 622 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3fze n GLU 623 N -0.97 1.12 0.01 -1.58 0.00 -1.26 -5.06 120.64 112.90 3fze n GLU 623 Ca 0.10 -2.26 0.13 0.00 0.00 0.00 0.00 57.16 55.13 3fze n GLU 623 Cb 0.33 2.79 0.36 0.00 0.00 0.00 0.00 31.44 34.92 3fze n GLU 623 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3fze n GLU 624 N -0.54 0.03 0.13 3.44 -0.58 -1.26 -4.17 120.64 117.69 3fze n GLU 624 Ca -0.09 0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.68 3fze n GLU 624 Cb 0.60 -1.52 0.35 0.00 -0.57 0.00 0.00 31.44 30.30 3fze n GLU 624 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3fze h ASP 625 N 0.00 0.18 -0.13 1.62 3.32 -1.99 -2.96 116.42 116.46 3fze h ASP 625 Ca 0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3fze h ASP 625 Cb 0.52 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fze h ASP 625 CO 0.00 0.43 0.01 0.28 -1.72 0.00 0.00 179.24 178.24 3fze h SER 626 N 0.17 0.22 -0.63 6.45 0.02 -2.00 -0.59 113.55 117.20 3fze h SER 626 Ca 0.03 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3fze h SER 626 Cb 0.52 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3fze h SER 626 CO 0.04 0.45 0.20 -0.07 -1.14 0.00 0.00 176.83 176.31 3fze h LEU 627 N -0.01 0.94 -0.85 5.07 4.07 -1.84 -1.24 115.31 121.45 3fze h LEU 627 Ca 0.04 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.77 3fze h LEU 627 Cb 0.33 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 3fze h LEU 627 CO 0.00 0.88 0.14 0.40 -1.08 0.00 0.00 178.44 178.79 3fze h ILE 628 N 0.97 1.25 -0.03 1.22 2.04 -1.39 -1.63 117.51 119.94 3fze h ILE 628 Ca 0.21 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 65.01 3fze h ILE 628 Cb 0.29 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3fze h ILE 628 CO -0.01 0.35 -0.62 1.62 0.00 0.00 0.00 178.15 179.49 3fze h VAL 629 N 0.95 1.42 -0.01 1.67 3.04 -0.83 -0.12 116.25 122.36 3fze h VAL 629 Ca 0.20 -2.07 -0.00 0.00 -1.01 0.00 0.00 66.70 63.82 3fze h VAL 629 Cb 0.35 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3fze h VAL 629 CO 0.00 0.60 0.01 0.58 -1.01 0.00 0.00 177.57 177.75 3fze h VAL 630 N 0.08 1.05 0.12 1.51 2.07 -0.91 -0.40 116.25 119.77 3fze h VAL 630 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3fze h VAL 630 Cb 1.11 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3fze h VAL 630 CO 0.09 0.04 -0.12 0.22 0.02 0.00 0.00 177.57 177.82 3fze h TYR 631 N -0.04 -0.30 -0.52 1.57 3.20 -1.11 -1.65 116.97 118.11 3fze h TYR 631 Ca 0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3fze h TYR 631 Cb 0.06 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3fze h TYR 631 CO -0.06 -0.18 0.21 -0.91 -1.64 0.00 0.00 178.16 175.58 3fze h ASN 632 N -0.26 0.68 -0.17 -2.11 2.35 -0.97 -1.92 115.58 113.17 3fze h ASN 632 Ca 0.00 -0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.46 3fze h ASN 632 Cb 0.25 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.45 3fze h ASN 632 CO -0.03 0.61 -0.71 0.77 -1.65 0.00 0.00 177.43 176.43 3fze h SER 633 N 0.75 0.94 -0.48 5.81 4.64 -0.90 -0.83 113.55 123.47 3fze h SER 633 Ca 0.18 -0.58 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 3fze h SER 633 Cb 0.14 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3fze h SER 633 CO -0.02 1.38 0.12 -0.07 -0.87 0.00 0.00 176.83 177.36 3fze h LEU 634 N 0.57 0.74 -0.30 5.97 3.38 -1.10 -1.73 115.31 122.84 3fze h LEU 634 Ca -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3fze h LEU 634 Cb 1.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3fze h LEU 634 CO 0.15 0.78 0.16 0.11 0.09 0.00 0.00 178.44 179.73 3fze h LYS 635 N 0.66 0.42 -0.83 1.13 1.79 -1.31 -3.04 116.57 115.40 3fze h LYS 635 Ca 0.15 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3fze h LYS 635 Cb 0.33 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 3fze h LYS 635 CO 0.00 0.37 0.51 0.00 -1.08 0.00 0.00 179.45 179.25 3fze h ALA 636 N 1.03 1.06 0.00 3.86 0.00 -1.00 -2.51 119.26 121.71 3fze h ALA 636 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fze h ALA 636 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3fze h ALA 636 CO -0.02 0.51 -0.15 -0.07 0.00 0.00 0.00 179.25 179.53 3fze h LEU 637 N 1.14 0.00 -1.42 0.00 3.38 -1.21 -1.45 115.31 115.74 3fze h LEU 637 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3fze h LEU 637 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fze h LEU 637 CO -0.06 0.15 0.00 0.71 0.09 0.00 0.00 178.44 179.33 3fze h THR 638 N 0.00 0.00 -0.74 0.22 1.35 -1.34 0.17 112.91 112.57 3fze h THR 638 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3fze h THR 638 Cb 0.31 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.89 3fze h THR 638 CO 0.02 0.00 0.48 0.40 -0.25 0.00 0.00 175.52 176.17 3fze h ILE 639 N 0.00 1.20 0.06 6.82 2.04 -1.36 -3.15 117.51 123.12 3fze h ILE 639 Ca 0.00 -0.38 -0.35 0.00 1.00 0.00 0.00 64.86 65.13 3fze h ILE 639 Cb 0.36 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3fze h ILE 639 CO 0.00 0.19 -2.02 1.17 0.00 0.00 0.00 178.15 177.49 3fze n LYS 640 N -4.41 0.70 -3.87 2.37 4.81 -0.85 -4.77 118.16 112.13 3fze n LYS 640 Ca 0.08 0.23 -0.29 0.00 -0.87 0.00 0.00 58.31 57.46 3fze n LYS 640 Cb 0.04 -1.69 -0.13 0.00 0.02 0.00 0.00 35.03 33.27 3fze n LYS 640 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3fze s PHE 641 N -2.56 3.03 0.46 5.64 0.08 -0.01 -4.96 117.98 119.67 3fze s PHE 641 Ca -0.18 -3.08 0.12 0.00 0.12 0.00 0.00 56.93 53.90 3fze s PHE 641 Cb 0.07 -2.56 1.05 0.00 -0.57 0.00 0.00 43.02 41.01 3fze s PHE 641 CO 0.77 -0.69 2.09 0.00 -0.10 0.00 0.00 175.22 177.29 3fze h ALA 642 N 6.15 1.86 -0.39 5.36 0.00 -1.82 -1.31 119.26 129.11 3fze h ALA 642 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fze h ALA 642 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3fze h ALA 642 CO 0.65 0.12 0.00 0.54 0.00 0.00 0.00 179.25 180.56 3fze n ARG 643 N -4.50 3.51 -1.57 0.00 1.74 -1.26 -4.65 116.66 109.93 3fze n ARG 643 Ca 0.01 -2.08 -0.56 0.00 -0.77 0.00 0.00 57.85 54.45 3fze n ARG 643 Cb 0.10 -1.97 -0.07 0.00 -1.02 0.00 0.00 32.46 29.50 3fze n ARG 643 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fze n LEU 644 N 0.45 1.09 -4.69 0.55 7.94 -0.49 -4.86 117.00 116.99 3fze n LEU 644 Ca 0.18 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.94 3fze n LEU 644 Cb 0.85 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 43.65 3fze n LEU 644 CO 0.21 -1.30 -0.32 -1.10 -1.11 0.00 0.00 177.39 173.78 3fze s GLN 645 N 0.64 2.53 0.11 1.96 -1.52 -0.77 -1.00 119.66 121.63 3fze s GLN 645 Ca 0.89 -0.96 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 3fze s GLN 645 Cb -1.10 -2.48 -0.02 0.00 -0.22 0.00 0.00 33.01 29.19 3fze s GLN 645 CO 0.53 0.49 0.13 -0.59 -0.25 0.00 0.00 175.29 175.61 3fze s PHE 646 N -1.55 0.51 -0.16 0.91 -0.12 0.01 -0.67 117.98 116.90 3fze s PHE 646 Ca 0.27 -0.93 -0.08 0.00 -0.05 0.00 0.00 56.93 56.14 3fze s PHE 646 Cb -0.10 -0.25 0.06 0.00 -0.63 0.00 0.00 43.02 42.09 3fze s PHE 646 CO 0.19 -0.55 0.38 0.00 -0.05 0.00 0.00 175.22 175.19 3fze s PHE 648 N 1.55 3.36 -0.02 0.00 0.08 -0.10 -0.78 117.98 122.07 3fze s PHE 648 Ca -0.08 0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.27 3fze s PHE 648 Cb -0.09 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 3fze s PHE 648 CO -0.12 0.40 -0.12 0.08 -0.10 0.00 0.00 175.22 175.35 3fze s VAL 649 N -0.23 1.02 0.90 -0.44 1.01 -0.04 -0.54 120.40 122.07 3fze s VAL 649 Ca 0.09 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3fze s VAL 649 Cb -0.12 -0.87 0.17 0.00 0.00 0.00 0.00 36.38 35.56 3fze s VAL 649 CO 0.01 0.30 1.24 1.51 0.00 0.00 0.00 175.10 178.16 3fze s ASP 650 N -0.07 3.53 0.29 3.32 1.47 0.05 -1.37 116.67 123.89 3fze s ASP 650 Ca 0.01 0.23 0.24 0.00 1.18 0.00 0.00 52.55 54.21 3fze s ASP 650 Cb -0.07 -0.40 1.06 0.00 -0.34 0.00 0.00 42.92 43.16 3fze s ASP 650 CO 0.00 -2.46 1.72 0.08 0.68 0.00 0.00 175.17 175.20 3fze h ARG 651 N -1.36 0.00 -0.52 2.11 0.11 -1.90 -1.29 114.38 111.53 3fze h ARG 651 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3fze h ARG 651 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3fze h ARG 651 CO 0.42 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.58 3fze n ASN 652 N -2.30 4.76 -0.52 0.08 3.02 -1.26 -4.75 115.26 114.30 3fze n ASN 652 Ca 0.01 -2.70 -0.06 0.00 -0.03 0.00 0.00 54.58 51.80 3fze n ASN 652 Cb 0.19 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 3fze n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fze n ASN 653 N 0.56 -3.47 -4.76 6.41 5.15 -0.48 -4.92 115.26 113.74 3fze n ASN 653 Ca 0.24 0.12 -0.38 0.00 -0.60 0.00 0.00 54.58 53.96 3fze n ASN 653 Cb 0.96 -1.78 -0.06 0.00 -0.53 0.00 0.00 39.78 38.37 3fze n ASN 653 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3fze s TYR 654 N -2.24 3.65 -0.02 1.20 2.02 -1.26 -0.13 117.35 120.56 3fze s TYR 654 Ca 0.00 1.10 -0.30 0.00 -0.37 0.00 0.00 57.07 57.49 3fze s TYR 654 Cb 0.00 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3fze s TYR 654 CO 0.00 0.35 1.27 0.08 -1.57 0.00 0.00 175.55 175.67 3fze s VAL 655 N -0.11 4.05 -0.22 0.71 1.01 0.42 -0.77 120.40 125.48 3fze s VAL 655 Ca 0.29 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3fze s VAL 655 Cb -0.17 -3.90 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 3fze s VAL 655 CO 0.15 0.01 -0.07 0.18 0.00 0.00 0.00 175.10 175.37 3fze n LEU 656 N 5.11 2.77 -3.61 3.92 4.77 0.30 -4.73 117.00 125.53 3fze n LEU 656 Ca 0.11 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 3fze n LEU 656 Cb 0.45 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3fze n LEU 656 CO 0.56 0.90 0.81 -0.62 -1.33 0.00 0.00 177.39 177.72 3fze s ASP 657 N -6.60 -0.22 0.06 -1.43 2.15 -1.22 -5.00 116.67 104.41 3fze s ASP 657 Ca -0.31 -0.14 -0.28 0.00 0.43 0.00 0.00 52.55 52.26 3fze s ASP 657 Cb 0.08 0.34 0.09 0.00 -0.30 0.00 0.00 42.92 43.13 3fze s ASP 657 CO 0.65 -0.58 1.02 -0.72 -0.17 0.00 0.00 175.17 175.37 3fze s TYR 658 N -2.93 -0.17 -0.68 -5.34 -0.85 -1.26 -0.92 117.35 105.19 3fze s TYR 658 Ca 0.09 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 3fze s TYR 658 Cb -0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3fze s TYR 658 CO -0.04 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.79 3fze n GLY 659 N -0.39 0.27 3.68 5.49 0.00 -0.46 -4.96 105.19 108.82 3fze n GLY 659 Ca -0.07 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3fze n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fze s SER 660 N -4.00 6.84 0.20 1.61 0.15 -1.26 -0.81 113.70 116.43 3fze s SER 660 Ca 0.00 1.02 -0.11 0.00 0.70 0.00 0.00 55.95 57.56 3fze s SER 660 Cb 0.00 -2.39 0.21 0.00 -1.71 0.00 0.00 66.02 62.13 3fze s SER 660 CO 0.00 -0.27 1.76 0.58 1.20 0.00 0.00 173.24 176.51 3fze h VAL 661 N 5.07 0.85 -0.40 4.45 2.07 -1.40 -0.41 116.25 126.50 3fze h VAL 661 Ca -0.33 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3fze h VAL 661 Cb 1.15 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3fze h VAL 661 CO 0.79 0.08 0.27 -0.07 0.02 0.00 0.00 177.57 178.66 3fze h LEU 662 N 0.45 0.29 0.05 2.57 3.38 -1.82 -1.12 115.31 119.10 3fze h LEU 662 Ca 0.27 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 3fze h LEU 662 Cb 0.27 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fze h LEU 662 CO -0.24 0.20 -0.69 -0.74 0.09 0.00 0.00 178.44 177.06 3fze h HIS 663 N 0.34 0.60 0.00 1.13 2.76 -1.51 -3.41 115.15 115.06 3fze h HIS 663 Ca 0.17 -0.36 -0.09 0.00 -2.20 0.00 0.00 60.37 57.89 3fze h HIS 663 Cb 0.25 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 3fze h HIS 663 CO -0.00 1.21 -1.72 1.63 -1.30 0.00 0.00 177.93 177.74 3fze n LYS 664 N -4.18 1.02 -3.05 5.26 5.02 -0.48 -4.78 118.16 116.97 3fze n LYS 664 Ca -0.11 -0.08 -0.44 0.00 -2.02 0.00 0.00 58.31 55.65 3fze n LYS 664 Cb 0.73 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3fze n LYS 664 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fze s ILE 665 N -2.69 5.24 -0.06 -0.18 -1.09 -0.44 -4.78 121.20 117.20 3fze s ILE 665 Ca -0.06 -2.69 -0.18 0.00 -2.23 0.00 0.00 60.65 55.50 3fze s ILE 665 Cb 0.07 -4.81 -0.30 0.00 -1.58 0.00 0.00 42.46 35.83 3fze s ILE 665 CO 0.55 -1.48 0.76 -0.78 -1.23 0.00 0.00 174.94 172.76 3fze h ASP 666 N 7.26 0.51 -5.20 3.58 3.58 -1.86 -3.46 116.42 120.82 3fze h ASP 666 Ca 0.26 -0.91 -0.11 0.00 0.42 0.00 0.00 57.03 56.68 3fze h ASP 666 Cb 0.90 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 3fze h ASP 666 CO 1.16 1.56 0.09 -0.94 -2.88 0.00 0.00 179.24 178.23 3fze s SER 667 N -7.12 0.35 0.32 2.28 1.04 -1.26 -5.02 113.70 104.29 3fze s SER 667 Ca -0.16 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.05 3fze s SER 667 Cb 0.03 0.77 0.61 0.00 0.10 0.00 0.00 66.02 67.54 3fze s SER 667 CO 0.83 -1.53 1.91 0.25 0.98 0.00 0.00 173.24 175.68 3fze h LEU 668 N 2.04 0.83 -1.52 2.42 5.85 -1.97 -1.36 115.31 121.60 3fze h LEU 668 Ca -0.30 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.59 3fze h LEU 668 Cb 1.25 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3fze h LEU 668 CO 0.39 0.51 0.54 0.44 -0.34 0.00 0.00 178.44 179.98 3fze h ASP 669 N 0.93 0.44 -0.55 1.25 3.32 -1.97 0.66 116.42 120.49 3fze h ASP 669 Ca 0.39 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.63 3fze h ASP 669 Cb 0.30 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3fze h ASP 669 CO -0.15 0.22 0.40 0.28 -1.72 0.00 0.00 179.24 178.27 3fze h SER 670 N 0.46 0.00 0.00 6.45 0.02 -1.59 0.23 113.55 119.12 3fze h SER 670 Ca 0.40 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.97 3fze h SER 670 Cb 0.89 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 3fze h SER 670 CO -0.14 0.00 -2.43 -0.38 -1.14 0.00 0.00 176.83 172.73 3fze n ILE 671 N -4.35 1.45 0.17 3.27 5.41 0.13 -4.33 119.36 121.12 3fze n ILE 671 Ca 0.10 -0.69 0.03 0.00 1.00 0.00 0.00 62.75 63.19 3fze n ILE 671 Cb 0.63 -1.03 0.30 0.00 -0.71 0.00 0.00 39.64 38.84 3fze n ILE 671 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3fze h SER 672 N 0.00 0.00 0.75 4.38 4.64 -1.10 -3.10 113.55 119.11 3fze h SER 672 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3fze h SER 672 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3fze h SER 672 CO -0.04 0.45 0.00 -0.46 -0.87 0.00 0.00 176.83 175.91 3fze n ASN 673 N -3.73 0.00 0.13 4.97 6.94 0.05 -2.96 115.26 120.66 3fze n ASN 673 Ca -0.01 0.50 0.13 0.00 -0.02 0.00 0.00 54.58 55.18 3fze n ASN 673 Cb 0.52 -0.50 0.45 0.00 -2.36 0.00 0.00 39.78 37.89 3fze n ASN 673 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 3fze h LEU 674 N 0.00 0.00 -2.15 -4.53 8.10 -1.73 -2.79 115.31 112.21 3fze h LEU 674 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.03 3fze h LEU 674 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 3fze h LEU 674 CO 0.00 0.00 0.13 0.50 -4.11 0.00 0.00 178.44 174.96 3fze h LYS 675 N 0.00 0.00 -0.49 0.17 3.64 -1.75 -2.10 116.57 116.05 3fze h LYS 675 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fze h LYS 675 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3fze h LYS 675 CO 0.00 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.61 3fze n SER 676 N -4.17 3.34 -4.67 4.20 7.64 -1.05 -4.98 113.62 113.92 3fze n SER 676 Ca 0.01 -1.97 -0.43 0.00 1.01 0.00 0.00 58.87 57.49 3fze n SER 676 Cb 0.25 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 3fze n SER 676 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3fze s LYS 677 N -1.05 4.34 0.46 1.43 2.47 -0.79 -5.04 119.74 121.56 3fze s LYS 677 Ca 0.34 1.34 -0.10 0.00 -1.56 0.00 0.00 55.97 56.00 3fze s LYS 677 Cb 0.18 -3.59 -0.06 0.00 -1.46 0.00 0.00 37.83 32.91 3fze s LYS 677 CO 0.24 -0.46 0.82 -1.12 0.16 0.00 0.00 175.35 175.00 3fze s SER 678 N 1.15 6.44 -0.28 1.43 0.01 -1.26 -4.99 113.70 116.19 3fze s SER 678 Ca 0.45 1.15 -0.25 0.00 1.31 0.00 0.00 55.95 58.62 3fze s SER 678 Cb -0.17 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 63.87 3fze s SER 678 CO 0.12 -0.51 1.16 -0.55 0.41 0.00 0.00 173.24 173.87 3fze s SER 679 N -3.49 -0.32 0.00 2.44 0.15 -1.26 -4.95 113.70 106.27 3fze s SER 679 Ca 0.51 0.61 0.09 0.00 0.70 0.00 0.00 55.95 57.87 3fze s SER 679 Cb -0.10 0.62 0.21 0.00 -1.71 0.00 0.00 66.02 65.04 3fze s SER 679 CO 0.37 -0.11 1.10 -1.54 1.20 0.00 0.00 173.24 174.26 3fze n SER 680 N 1.97 2.51 -4.53 5.45 3.41 -1.26 -4.92 113.62 116.25 3fze n SER 680 Ca -0.12 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3fze n SER 680 Cb 0.56 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 3fze n SER 680 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fze s THR 681 N -0.94 5.05 0.23 6.66 2.01 -1.26 -5.03 115.64 122.36 3fze s THR 681 Ca 0.18 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 3fze s THR 681 Cb 0.10 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 3fze s THR 681 CO 0.13 -0.26 1.14 -1.10 -0.69 0.00 0.00 174.62 173.84 3fze s GLN 682 N 2.28 4.57 0.28 4.92 -1.52 -1.26 -0.44 119.66 128.49 3fze s GLN 682 Ca 0.16 1.82 -0.28 0.00 -1.95 0.00 0.00 55.36 55.11 3fze s GLN 682 Cb -0.16 -3.22 -0.09 0.00 -0.22 0.00 0.00 33.01 29.31 3fze s GLN 682 CO 0.13 0.07 0.95 0.12 -0.25 0.00 0.00 175.29 176.31 3fze s PHE 683 N -0.60 3.83 0.06 0.91 5.36 0.81 -4.81 117.98 123.54 3fze s PHE 683 Ca 0.48 1.85 -0.16 0.00 -0.96 0.00 0.00 56.93 58.14 3fze s PHE 683 Cb -0.32 -2.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.43 3fze s PHE 683 CO 0.39 0.31 0.37 -1.54 -1.46 0.00 0.00 175.22 173.29 3fze s SER 684 N -1.40 -0.21 0.20 6.13 1.04 -1.26 -5.02 113.70 113.18 3fze s SER 684 Ca 0.46 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 3fze s SER 684 Cb -0.22 0.41 0.15 0.00 0.10 0.00 0.00 66.02 66.46 3fze s SER 684 CO 0.28 -0.69 1.85 -0.65 0.98 0.00 0.00 173.24 175.01 3fze h PRO 685 N 2.92 0.83 -0.83 4.02 0.11 -1.97 -0.90 132.00 136.18 3fze h PRO 685 Ca -0.32 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3fze h PRO 685 Cb 1.21 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3fze h PRO 685 CO 0.45 0.55 0.38 0.97 -0.21 0.00 0.00 178.00 180.14 3fze h ILE 686 N 0.85 1.26 -0.46 4.15 6.09 -1.97 0.12 117.51 127.56 3fze h ILE 686 Ca 0.26 -0.76 0.05 0.00 -1.37 0.00 0.00 64.86 63.04 3fze h ILE 686 Cb -0.03 0.21 -0.05 0.00 0.47 0.00 0.00 36.82 37.42 3fze h ILE 686 CO -0.08 0.32 0.19 -0.25 -3.07 0.00 0.00 178.15 175.26 3fze h TRP 687 N 1.19 0.34 -0.42 2.19 7.01 -1.85 -0.33 115.95 124.10 3fze h TRP 687 Ca 0.28 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 3fze h TRP 687 Cb 0.15 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3fze h TRP 687 CO 0.02 0.14 0.19 1.25 -2.79 0.00 0.00 178.44 177.25 3fze h LEU 688 N 0.38 0.56 -0.32 0.65 5.85 -0.33 -0.92 115.31 121.18 3fze h LEU 688 Ca 0.21 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3fze h LEU 688 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3fze h LEU 688 CO -0.19 0.55 0.18 0.50 -0.34 0.00 0.00 178.44 179.14 3fze h LYS 689 N 0.53 0.36 -0.26 1.25 3.11 -0.46 0.21 116.57 121.32 3fze h LYS 689 Ca 0.14 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 3fze h LYS 689 Cb 0.15 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 3fze h LYS 689 CO -0.02 0.24 -0.07 -0.91 -2.81 0.00 0.00 179.45 175.88 3fze h ASN 690 N 0.37 0.39 0.04 4.20 2.35 -0.89 0.31 115.58 122.35 3fze h ASN 690 Ca 0.13 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3fze h ASN 690 Cb 0.01 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.29 3fze h ASN 690 CO -0.07 0.51 -0.28 0.74 -1.65 0.00 0.00 177.43 176.68 3fze h THR 691 N 0.39 1.68 0.02 2.81 2.02 -0.75 -3.06 112.91 116.02 3fze h THR 691 Ca 0.08 -2.35 -0.21 0.00 0.77 0.00 0.00 66.41 64.70 3fze h THR 691 Cb 0.37 3.26 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 3fze h THR 691 CO 0.02 0.63 -0.93 -0.07 0.37 0.00 0.00 175.52 175.54 3fze h LEU 692 N -0.75 0.21 -5.88 2.58 3.38 -0.60 -3.39 115.31 110.86 3fze h LEU 692 Ca -0.05 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 57.20 3fze h LEU 692 Cb 1.19 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 3fze h LEU 692 CO 0.05 1.03 -0.97 -1.22 0.09 0.00 0.00 178.44 177.41 3fze n TYR 693 N -3.59 1.33 0.24 1.13 4.01 0.11 -4.93 117.16 115.46 3fze n TYR 693 Ca -0.03 -3.84 0.15 0.00 -0.16 0.00 0.00 57.90 54.02 3fze n TYR 693 Cb 0.85 -0.44 0.84 0.00 -0.31 0.00 0.00 39.34 40.28 3fze n TYR 693 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3fze h PRO 694 N 3.43 0.00 -0.55 -0.72 0.13 -1.66 -0.19 132.00 132.44 3fze h PRO 694 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3fze h PRO 694 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3fze h PRO 694 CO 0.60 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.46 3fze n GLU 695 N -3.93 3.78 -0.08 0.86 4.07 -1.26 -5.05 120.64 119.02 3fze n GLU 695 Ca -0.01 -2.87 0.01 0.00 -0.06 0.00 0.00 57.16 54.23 3fze n GLU 695 Cb 0.21 -1.91 -0.00 0.00 -0.06 0.00 0.00 31.44 29.67 3fze n GLU 695 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3fze n ASN 696 N 0.74 -0.45 -4.78 4.31 3.02 -0.08 -4.97 115.26 113.05 3fze n ASN 696 Ca 0.24 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.49 3fze n ASN 696 Cb 0.91 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.76 3fze n ASN 696 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fze s ILE 697 N -2.80 4.97 -0.10 2.41 1.01 -1.26 -4.91 121.20 120.51 3fze s ILE 697 Ca 0.00 1.08 0.15 0.00 0.00 0.00 0.00 60.65 61.88 3fze s ILE 697 Cb 0.00 -3.85 0.33 0.00 0.01 0.00 0.00 42.46 38.95 3fze s ILE 697 CO 0.00 0.46 1.16 1.41 0.00 0.00 0.00 174.94 177.96 3fze n HIS 698 N 2.58 0.00 -4.02 3.97 8.25 -1.26 -5.00 115.22 119.75 3fze n HIS 698 Ca -0.09 -0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 56.37 3fze n HIS 698 Cb 0.51 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 3fze n HIS 698 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3fze s GLU 699 N -1.79 1.60 -0.65 -0.41 -1.05 -1.26 -5.09 118.70 110.05 3fze s GLU 699 Ca 0.30 -1.35 -0.27 0.00 -0.15 0.00 0.00 54.97 53.51 3fze s GLU 699 Cb 0.30 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.49 3fze s GLU 699 CO -0.07 -0.66 1.17 -1.01 0.95 0.00 0.00 175.26 175.64 3fze s HIS 700 N -3.83 2.51 -0.27 4.83 3.76 -1.26 -4.98 115.29 116.04 3fze s HIS 700 Ca 0.24 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 3fze s HIS 700 Cb -0.00 -4.47 -0.05 0.00 1.11 0.00 0.00 32.58 29.16 3fze s HIS 700 CO 0.11 -1.76 0.18 -1.17 -0.85 0.00 0.00 174.74 171.25 3fze s LEU 701 N 5.02 4.01 -0.03 0.89 2.96 -1.26 -0.51 118.68 129.76 3fze s LEU 701 Ca 0.36 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 3fze s LEU 701 Cb -0.09 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3fze s LEU 701 CO 0.19 -0.03 0.71 -0.83 -1.32 0.00 0.00 176.35 175.07 3fze s GLY 702 N 1.63 2.68 -0.18 7.98 0.00 -0.02 -4.86 107.32 114.55 3fze s GLY 702 Ca 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.92 3fze s GLY 702 CO 0.10 1.11 -0.03 -0.42 0.00 0.00 0.00 173.10 173.85 3fze s ILE 703 N 0.43 3.75 -0.24 0.90 -1.09 -0.58 -0.86 121.20 123.51 3fze s ILE 703 Ca 0.37 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3fze s ILE 703 Cb -0.19 -2.67 0.06 0.00 -1.58 0.00 0.00 42.46 38.09 3fze s ILE 703 CO 0.20 0.46 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.60 3fze s VAL 704 N 0.79 1.72 -0.25 2.92 1.01 -0.55 -0.67 120.40 125.37 3fze s VAL 704 Ca -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 3fze s VAL 704 Cb -0.14 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3fze s VAL 704 CO 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.06 3fze s ALA 705 N 1.31 2.88 -0.04 5.51 0.00 0.57 -0.18 121.76 131.81 3fze s ALA 705 Ca -0.06 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.61 3fze s ALA 705 Cb -0.19 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3fze s ALA 705 CO -0.06 -0.67 -0.15 0.08 0.00 0.00 0.00 175.76 174.95 3fze s VAL 706 N 1.45 1.29 -0.03 0.00 1.01 0.21 -0.38 120.40 123.95 3fze s VAL 706 Ca 0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3fze s VAL 706 Cb -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3fze s VAL 706 CO -0.02 0.38 0.15 -0.55 0.00 0.00 0.00 175.10 175.06 3fze s SER 707 N 0.16 -0.09 0.00 3.32 0.15 -0.56 -0.65 113.70 116.03 3fze s SER 707 Ca -0.05 0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.77 3fze s SER 707 Cb -0.12 0.28 0.19 0.00 -1.71 0.00 0.00 66.02 64.66 3fze s SER 707 CO 0.02 -0.18 1.13 -0.46 1.20 0.00 0.00 173.24 174.95 3fze n ASN 708 N 2.37 2.52 -4.93 5.45 6.94 -1.04 -0.45 115.26 126.13 3fze n ASN 708 Ca -0.17 -1.94 -0.26 0.00 -0.02 0.00 0.00 54.58 52.19 3fze n ASN 708 Cb 0.57 -0.14 0.05 0.00 -2.36 0.00 0.00 39.78 37.91 3fze n ASN 708 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3fze s SER 709 N -0.97 5.17 0.40 0.53 1.04 -1.26 -4.77 113.70 113.85 3fze s SER 709 Ca 0.15 0.56 -0.26 0.00 0.48 0.00 0.00 55.95 56.87 3fze s SER 709 Cb 0.08 -1.36 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 3fze s SER 709 CO 0.10 -1.35 1.27 0.59 0.98 0.00 0.00 173.24 174.83 3fze n ASN 710 N -2.76 2.58 -3.43 7.02 3.02 -1.26 -4.83 115.26 115.60 3fze n ASN 710 Ca 0.07 1.13 -0.37 0.00 -0.03 0.00 0.00 54.58 55.37 3fze n ASN 710 Cb 0.59 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 3fze n ASN 710 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3fze n MET 711 N 0.16 2.94 -3.81 3.52 2.81 -1.26 -4.43 117.12 117.06 3fze n MET 711 Ca 0.06 -2.14 -0.36 0.00 -1.81 0.00 0.00 57.70 53.46 3fze n MET 711 Cb 0.39 -2.88 -0.11 0.00 -0.71 0.00 0.00 33.22 29.91 3fze n MET 711 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3fze s GLU 712 N 2.98 3.90 0.37 0.03 2.02 -1.26 -5.00 118.70 121.74 3fze s GLU 712 Ca 0.57 -0.36 0.13 0.00 0.02 0.00 0.00 54.97 55.32 3fze s GLU 712 Cb 0.15 -3.38 0.94 0.00 0.10 0.00 0.00 34.13 31.94 3fze s GLU 712 CO -0.04 0.03 1.83 0.00 0.02 0.00 0.00 175.26 177.09 3fze h ALA 713 N 7.54 1.99 -0.01 5.21 0.00 -1.91 -0.35 119.26 131.74 3fze h ALA 713 Ca -0.37 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fze h ALA 713 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fze h ALA 713 CO 0.63 -0.31 -0.29 1.63 0.00 0.00 0.00 179.25 180.91 3fze n LYS 714 N -4.60 0.59 -0.01 0.00 5.02 -1.26 -4.32 118.16 113.58 3fze n LYS 714 Ca 0.21 -0.33 -0.01 0.00 -2.02 0.00 0.00 58.31 56.16 3fze n LYS 714 Cb 0.64 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 3fze n LYS 714 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fze n LYS 715 N -0.92 3.24 -2.92 1.97 5.02 -0.28 -4.90 118.16 119.37 3fze n LYS 715 Ca 0.11 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 3fze n LYS 715 Cb 0.34 -1.07 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 3fze n LYS 715 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fze s SER 716 N -3.22 7.14 0.33 4.39 0.15 -0.38 -3.85 113.70 118.26 3fze s SER 716 Ca -0.01 1.38 0.24 0.00 0.70 0.00 0.00 55.95 58.25 3fze s SER 716 Cb 0.01 -2.47 1.18 0.00 -1.71 0.00 0.00 66.02 63.03 3fze s SER 716 CO 0.11 -0.16 1.72 0.16 1.20 0.00 0.00 173.24 176.27 3fze h ILE 717 N 4.72 0.00 0.00 6.45 3.07 -1.92 -2.78 117.51 127.05 3fze h ILE 717 Ca -0.41 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3fze h ILE 717 Cb 1.21 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3fze h ILE 717 CO 0.75 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 178.03 3fze n LEU 718 N -2.32 0.59 -0.38 0.16 4.77 -1.26 -2.67 117.00 115.89 3fze n LEU 718 Ca -0.00 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 3fze n LEU 718 Cb 0.11 -0.43 0.31 0.00 -2.33 0.00 0.00 43.42 41.07 3fze n LEU 718 CO 0.14 -0.27 0.62 0.49 -1.33 0.00 0.00 177.39 177.04 3fze n PHE 719 N -2.08 0.00 -2.56 -1.77 3.72 -1.05 -4.88 117.46 108.84 3fze n PHE 719 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.19 3fze n PHE 719 Cb 0.34 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 3fze n PHE 719 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3fze s GLN 720 N -2.38 2.94 -0.38 -1.08 -0.21 -1.09 -4.98 119.66 112.48 3fze s GLN 720 Ca 0.26 -0.16 -0.16 0.00 0.02 0.00 0.00 55.36 55.32 3fze s GLN 720 Cb 0.19 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.85 3fze s GLN 720 CO 0.48 -0.59 0.37 0.16 -2.12 0.00 0.00 175.29 173.59 3fze s ASP 721 N -4.29 6.17 -0.00 5.90 -4.77 -1.26 -4.89 116.67 113.52 3fze s ASP 721 Ca 0.53 -0.48 0.10 0.00 -3.30 0.00 0.00 52.55 49.39 3fze s ASP 721 Cb -0.10 -2.20 0.29 0.00 -1.09 0.00 0.00 42.92 39.82 3fze s ASP 721 CO 0.43 -0.42 1.23 -1.22 0.70 0.00 0.00 175.17 175.88 3fze n TYR 722 N 5.40 0.45 0.00 2.11 4.02 -1.26 -4.46 117.16 123.42 3fze n TYR 722 Ca -0.09 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 3fze n TYR 722 Cb 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3fze n TYR 722 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3fze n ARG 723 N 0.43 0.00 0.12 -0.72 1.85 -1.26 -1.43 116.66 115.65 3fze n ARG 723 Ca 0.11 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 3fze n ARG 723 Cb 0.29 0.00 0.47 0.00 -1.05 0.00 0.00 32.46 32.17 3fze n ARG 723 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fze n PHE 725 N -2.16 0.61 -3.18 0.00 3.01 -0.51 -4.75 117.46 110.48 3fze n PHE 725 Ca 0.02 -0.66 -0.39 0.00 1.01 0.00 0.00 57.45 57.43 3fze n PHE 725 Cb 0.21 -0.36 -0.06 0.00 -0.01 0.00 0.00 39.48 39.26 3fze n PHE 725 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3fze s THR 726 N -0.84 4.77 -0.50 4.37 -4.23 -1.02 -4.99 115.64 113.21 3fze s THR 726 Ca 0.12 1.33 0.06 0.00 -1.18 0.00 0.00 61.69 62.02 3fze s THR 726 Cb 0.10 -3.96 0.21 0.00 1.34 0.00 0.00 72.50 70.19 3fze s THR 726 CO 0.03 0.47 0.79 -1.54 -0.54 0.00 0.00 174.62 173.82 3fze n SER 727 N 2.27 -3.02 -4.44 3.99 3.41 -1.26 -5.02 113.62 109.56 3fze n SER 727 Ca -0.07 -3.08 -0.44 0.00 -0.26 0.00 0.00 58.87 55.02 3fze n SER 727 Cb 0.51 1.66 -0.06 0.00 -0.26 0.00 0.00 64.21 66.06 3fze n SER 727 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fze s PHE 728 N 0.71 3.01 0.00 7.33 5.36 -1.26 -4.98 117.98 128.16 3fze s PHE 728 Ca 0.31 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3fze s PHE 728 Cb 0.11 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3fze s PHE 728 CO -0.15 -1.11 0.00 0.41 -1.46 0.00 0.00 175.22 172.91 3fze n GLY 729 N 5.19 3.83 0.00 13.12 0.00 -1.26 -5.25 105.19 120.82 3fze n GLY 729 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3fze n GLY 729 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fze n ASN 734 N 6.70 0.00 -3.57 1.61 0.23 -1.26 -5.05 115.26 113.92 3fze n ASN 734 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 3fze n ASN 734 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 3fze n ASN 734 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3fze s GLU 735 N -1.52 0.17 -0.15 -3.83 2.12 -1.26 -1.52 118.70 112.70 3fze s GLU 735 Ca 0.00 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 3fze s GLU 735 Cb 0.00 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 3fze s GLU 735 CO 0.00 -0.89 -0.05 -1.17 -0.54 0.00 0.00 175.26 172.61 3fze s LEU 736 N 2.10 3.19 -0.19 2.70 0.20 0.15 -5.01 118.68 121.82 3fze s LEU 736 Ca 0.06 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.75 3fze s LEU 736 Cb -0.16 -1.76 0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3fze s LEU 736 CO -0.27 0.17 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.28 3fze s LYS 737 N 0.35 2.48 -0.08 1.98 1.02 -1.26 -0.31 119.74 123.92 3fze s LYS 737 Ca -0.05 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.13 3fze s LYS 737 Cb -0.14 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3fze s LYS 737 CO 0.03 -0.32 -0.13 0.42 -0.92 0.00 0.00 175.35 174.43 3fze s ILE 738 N 1.34 1.25 -0.31 2.17 1.01 0.49 -1.46 121.20 125.70 3fze s ILE 738 Ca 0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3fze s ILE 738 Cb -0.15 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3fze s ILE 738 CO -0.10 0.38 0.20 -0.75 0.00 0.00 0.00 174.94 174.67 3fze s LYS 739 N 0.72 3.69 -0.20 2.79 2.47 0.15 -1.49 119.74 127.87 3fze s LYS 739 Ca -0.13 -0.50 -0.23 0.00 -1.56 0.00 0.00 55.97 53.55 3fze s LYS 739 Cb -0.16 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 3fze s LYS 739 CO 0.03 -0.31 0.76 0.08 0.16 0.00 0.00 175.35 176.07 3fze s VAL 740 N 1.72 4.91 0.00 4.02 1.01 0.40 -0.72 120.40 131.75 3fze s VAL 740 Ca 0.06 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3fze s VAL 740 Cb -0.17 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3fze s VAL 740 CO 0.10 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3fze n GLY 741 N 3.69 1.40 3.76 4.51 0.00 0.47 -4.39 105.19 114.63 3fze n GLY 741 Ca 0.03 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 3fze n GLY 741 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fze s TYR 742 N 0.00 2.62 -0.01 1.61 2.02 -1.26 -4.78 117.35 117.55 3fze s TYR 742 Ca 0.00 1.45 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 3fze s TYR 742 Cb 0.00 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 3fze s TYR 742 CO 0.00 -2.18 0.00 -0.51 -1.57 0.00 0.00 175.55 171.29 3fze s LEU 743 N -3.12 3.52 -0.31 -1.29 1.43 -1.26 -4.99 118.68 112.65 3fze s LEU 743 Ca 0.66 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 3fze s LEU 743 Cb -0.35 -1.99 0.58 0.00 0.03 0.00 0.00 46.19 44.45 3fze s LEU 743 CO 0.43 0.29 1.60 -0.46 0.23 0.00 0.00 176.35 178.44 3fze n ASN 744 N 1.49 3.24 -3.96 2.29 0.23 -1.26 -4.94 115.26 112.34 3fze n ASN 744 Ca -0.15 -3.56 -0.20 0.00 -0.53 0.00 0.00 54.58 50.14 3fze n ASN 744 Cb 0.53 -0.68 -0.16 0.00 -2.08 0.00 0.00 39.78 37.39 3fze n ASN 744 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3fze s VAL 745 N -3.17 0.66 -0.22 3.53 1.01 -1.26 -5.13 120.40 115.82 3fze s VAL 745 Ca 0.48 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3fze s VAL 745 Cb 0.42 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3fze s VAL 745 CO 0.05 0.22 0.80 -0.62 0.00 0.00 0.00 175.10 175.55 3fze s ASP 746 N 0.37 6.82 -0.21 3.32 2.15 -1.26 -5.04 116.67 122.83 3fze s ASP 746 Ca -0.05 1.02 -0.02 0.00 0.43 0.00 0.00 52.55 53.93 3fze s ASP 746 Cb -0.10 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3fze s ASP 746 CO 0.00 -0.46 -0.10 -0.31 -0.17 0.00 0.00 175.17 174.13 3fze s TYR 747 N 2.59 2.89 0.00 -5.34 2.02 -1.26 -5.01 117.35 113.24 3fze s TYR 747 Ca 0.34 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 3fze s TYR 747 Cb -0.16 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 3fze s TYR 747 CO 0.09 -0.65 0.00 0.43 -1.57 0.00 0.00 175.55 173.85 3fze n SER 748 N 4.73 0.00 -2.77 2.29 7.64 -1.26 -4.46 113.62 119.79 3fze n SER 748 Ca -0.19 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.33 3fze n SER 748 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 3fze n SER 748 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3fze n LYS 750 N 0.00 2.63 -4.25 1.43 2.85 -1.26 -4.91 118.16 114.64 3fze n LYS 750 Ca 0.00 -3.11 -0.33 0.00 -1.05 0.00 0.00 58.31 53.83 3fze n LYS 750 Cb 0.00 -2.23 -0.16 0.00 -0.65 0.00 0.00 35.03 31.99 3fze n LYS 750 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3fze s ILE 751 N -4.09 2.02 0.00 0.58 1.01 -1.26 -4.96 121.20 114.49 3fze s ILE 751 Ca 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3fze s ILE 751 Cb 0.42 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3fze s ILE 751 CO -0.35 0.54 0.00 -0.90 0.00 0.00 0.00 174.94 174.23 3fze n ASP 752 N 4.49 0.00 -3.50 3.58 5.75 -1.26 -4.35 116.55 121.26 3fze n ASP 752 Ca -0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.17 3fze n ASP 752 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 3fze n ASP 752 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fze n GLU 753 N 0.00 4.34 -1.97 0.11 1.02 -1.26 -4.93 120.64 117.96 3fze n GLU 753 Ca 0.00 -3.26 -0.40 0.00 -0.02 0.00 0.00 57.16 53.47 3fze n GLU 753 Cb 0.00 -2.70 -0.00 0.00 -0.02 0.00 0.00 31.44 28.72 3fze n GLU 753 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3fze s LEU 754 N -1.52 4.27 -0.06 -4.62 2.96 -1.26 -4.60 118.68 113.85 3fze s LEU 754 Ca 0.55 2.79 0.05 0.00 -0.22 0.00 0.00 54.13 57.30 3fze s LEU 754 Cb 0.17 -3.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 3fze s LEU 754 CO -0.08 -0.84 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.21 3fze s VAL 755 N -1.19 1.74 -0.05 1.68 1.01 -0.53 -5.03 120.40 118.02 3fze s VAL 755 Ca 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3fze s VAL 755 Cb -0.41 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3fze s VAL 755 CO 0.54 0.49 -0.02 -1.61 0.00 0.00 0.00 175.10 174.50 3fze s GLU 756 N 0.08 2.83 0.04 2.72 2.02 -1.26 0.34 118.70 125.47 3fze s GLU 756 Ca -0.07 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3fze s GLU 756 Cb -0.14 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3fze s GLU 756 CO 0.04 0.66 -0.03 0.00 0.02 0.00 0.00 175.26 175.95 3fze s ALA 757 N -0.94 0.36 0.12 5.21 0.00 0.10 0.17 121.76 126.78 3fze s ALA 757 Ca 0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 3fze s ALA 757 Cb -0.11 0.23 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 3fze s ALA 757 CO 0.05 -0.29 1.28 0.66 0.00 0.00 0.00 175.76 177.46 3fze h SER 758 N 3.69 0.56 -5.11 0.00 4.64 -1.92 0.14 113.55 115.55 3fze h SER 758 Ca -0.33 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 60.48 3fze h SER 758 Cb 1.17 -0.17 -0.12 0.00 -0.31 0.00 0.00 62.40 62.96 3fze h SER 758 CO 0.57 1.26 -0.10 -0.94 -0.87 0.00 0.00 176.83 176.75 3fze s SER 759 N -7.11 -0.18 0.29 4.97 1.04 -1.26 -4.21 113.70 107.24 3fze s SER 759 Ca -0.06 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 3fze s SER 759 Cb 0.09 0.49 0.46 0.00 0.10 0.00 0.00 66.02 67.16 3fze s SER 759 CO 0.87 -0.92 1.91 -0.50 0.98 0.00 0.00 173.24 175.59 3fze h TRP 760 N 2.36 1.12 -0.28 5.02 4.06 -1.95 -2.59 115.95 123.69 3fze h TRP 760 Ca -0.32 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.65 3fze h TRP 760 Cb 1.25 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 3fze h TRP 760 CO 0.35 0.60 0.13 1.15 -3.56 0.00 0.00 178.44 177.11 3fze h THR 761 N 1.12 1.15 -0.23 1.49 2.02 -1.91 -0.80 112.91 115.75 3fze h THR 761 Ca 0.40 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3fze h THR 761 Cb 0.13 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3fze h THR 761 CO -0.14 0.15 0.08 0.15 0.37 0.00 0.00 175.52 176.13 3fze h PHE 762 N 0.31 0.36 -0.03 3.16 3.57 -1.93 0.92 116.94 123.31 3fze h PHE 762 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3fze h PHE 762 Cb 0.13 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3fze h PHE 762 CO -0.02 0.41 0.00 0.28 -2.23 0.00 0.00 178.31 176.75 3fze h VAL 763 N 0.21 0.98 -0.03 1.41 2.07 -1.38 -1.02 116.25 118.50 3fze h VAL 763 Ca 0.08 -0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.37 3fze h VAL 763 Cb 0.21 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3fze h VAL 763 CO -0.00 0.00 -0.90 -0.07 0.02 0.00 0.00 177.57 176.62 3fze h LEU 764 N 0.01 0.58 -0.63 2.57 3.38 -1.06 -0.72 115.31 119.43 3fze h LEU 764 Ca 0.01 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3fze h LEU 764 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3fze h LEU 764 CO -0.02 1.23 0.19 -0.33 0.09 0.00 0.00 178.44 179.59 3fze h GLU 765 N 0.27 0.99 -0.58 1.13 5.08 -0.83 -0.86 114.58 119.78 3fze h GLU 765 Ca -0.07 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3fze h GLU 765 Cb 1.52 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 3fze h GLU 765 CO 0.16 0.88 0.22 1.15 -1.00 0.00 0.00 179.01 180.42 3fze h THR 766 N 0.92 1.23 0.10 1.13 2.02 -1.03 0.24 112.91 117.52 3fze h THR 766 Ca 0.20 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3fze h THR 766 Cb 0.31 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3fze h THR 766 CO -0.00 0.28 -0.05 0.25 0.37 0.00 0.00 175.52 176.37 3fze h LEU 767 N 0.80 -0.12 -0.25 2.58 5.85 -0.94 -1.54 115.31 121.69 3fze h LEU 767 Ca 0.19 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3fze h LEU 767 Cb 0.22 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3fze h LEU 767 CO -0.01 -0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.07 3fze h TYR 769 N 0.22 0.27 0.00 0.00 -1.99 -0.97 -1.45 116.97 113.05 3fze h TYR 769 Ca 0.07 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3fze h TYR 769 Cb 0.44 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 3fze h TYR 769 CO 0.04 0.55 -0.05 0.77 -0.00 0.00 0.00 178.16 179.47 3fze h SER 770 N 0.21 0.00 -0.23 3.88 0.02 -1.19 0.28 113.55 116.51 3fze h SER 770 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3fze h SER 770 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3fze h SER 770 CO 0.05 0.05 0.00 0.49 -1.14 0.00 0.00 176.83 176.28 3fze n PHE 771 N -4.19 0.30 -1.74 3.45 3.72 -0.77 -4.93 117.46 113.30 3fze n PHE 771 Ca -0.03 -0.15 -0.03 0.00 -0.05 0.00 0.00 57.45 57.19 3fze n PHE 771 Cb 0.13 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3fze n PHE 771 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fze n GLY 772 N 1.20 0.37 3.88 1.37 0.00 0.09 -5.05 105.19 107.04 3fze n GLY 772 Ca 0.16 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 3fze n GLY 772 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fze s LEU 773 N -0.90 3.80 0.00 0.99 1.43 -0.62 -5.00 118.68 118.39 3fze s LEU 773 Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3fze s LEU 773 Cb 0.00 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3fze s LEU 773 CO 0.00 -0.25 0.43 -1.54 0.23 0.00 0.00 176.35 175.23 3fze n SER 774 N -1.37 -1.19 -1.18 2.29 3.41 -1.26 -3.93 113.62 110.39 3fze n SER 774 Ca -0.04 -2.92 0.09 0.00 -0.26 0.00 0.00 58.87 55.74 3fze n SER 774 Cb 0.59 2.31 0.28 0.00 -0.26 0.00 0.00 64.21 67.12 3fze n SER 774 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3fze n PHE 775 N -0.58 1.03 0.93 7.33 0.99 -1.26 -4.59 117.46 121.31 3fze n PHE 775 Ca 0.02 -0.60 0.11 0.00 -0.00 0.00 0.00 57.45 56.98 3fze n PHE 775 Cb 0.58 -0.15 0.52 0.00 -1.00 0.00 0.00 39.48 39.43 3fze n PHE 775 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3fze n ASP 776 N 0.81 0.00 -2.97 4.37 5.68 -1.26 -4.88 116.55 118.30 3fze n ASP 776 Ca 0.21 0.18 -0.22 0.00 -0.50 0.00 0.00 54.79 54.46 3fze n ASP 776 Cb 0.71 -0.37 0.02 0.00 -1.14 0.00 0.00 41.12 40.34 3fze n ASP 776 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3fze n GLU 777 N -1.37 -4.11 -3.66 0.11 0.00 -1.26 -4.98 120.64 105.36 3fze n GLU 777 Ca 0.08 0.83 -0.38 0.00 0.00 0.00 0.00 57.16 57.70 3fze n GLU 777 Cb 0.21 -5.63 -0.06 0.00 0.00 0.00 0.00 31.44 25.96 3fze n GLU 777 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3fze s HIS 778 N -3.09 3.67 -0.43 -1.84 5.04 -1.26 -5.07 115.29 112.31 3fze s HIS 778 Ca 0.27 0.79 -0.20 0.00 -1.54 0.00 0.00 55.06 54.39 3fze s HIS 778 Cb -0.12 -2.14 0.02 0.00 0.04 0.00 0.00 32.58 30.38 3fze s HIS 778 CO 0.33 0.68 0.57 0.16 -2.34 0.00 0.00 174.74 174.15 3fze s ASP 779 N -1.05 6.28 0.00 9.88 -4.77 -1.26 -5.10 116.67 120.64 3fze s ASP 779 Ca 0.20 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 48.98 3fze s ASP 779 Cb -0.15 -2.29 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 3fze s ASP 779 CO 0.09 -0.72 0.00 -0.90 0.70 0.00 0.00 175.17 174.35