#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpt h TRP 632 N 0.00 0.84 -0.01 1.43 4.06 -1.99 -1.29 115.95 118.99 3dpt h TRP 632 Ca 0.00 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.84 3dpt h TRP 632 Cb 0.00 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 27.89 3dpt h TRP 632 CO 0.00 0.83 -0.30 0.82 -3.56 0.00 0.00 178.44 176.22 3dpt h ILE 633 N 0.60 0.33 -0.74 1.49 2.04 -1.99 0.25 117.51 119.50 3dpt h ILE 633 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 3dpt h ILE 633 Cb 0.50 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3dpt h ILE 633 CO 0.02 0.00 0.43 0.11 0.00 0.00 0.00 178.15 178.71 3dpt h LYS 634 N -0.45 0.76 -0.17 2.37 1.57 -1.91 -0.35 116.57 118.39 3dpt h LYS 634 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dpt h LYS 634 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3dpt h LYS 634 CO -0.26 0.50 0.06 0.28 -0.57 0.00 0.00 179.45 179.46 3dpt h VAL 635 N 0.78 1.16 -0.11 0.50 2.07 -0.97 0.17 116.25 119.85 3dpt h VAL 635 Ca 0.33 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3dpt h VAL 635 Cb 0.19 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3dpt h VAL 635 CO -0.18 0.15 -0.25 0.50 0.02 0.00 0.00 177.57 177.81 3dpt h LYS 636 N 0.11 -0.32 -0.49 1.57 3.64 -0.52 0.68 116.57 121.24 3dpt h LYS 636 Ca 0.05 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3dpt h LYS 636 Cb 0.18 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3dpt h LYS 636 CO -0.00 -0.21 0.30 0.93 -2.27 0.00 0.00 179.45 178.19 3dpt h GLU 637 N -0.33 0.67 -0.63 1.90 5.08 -0.87 -0.34 114.58 120.07 3dpt h GLU 637 Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3dpt h GLU 637 Cb 0.47 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3dpt h GLU 637 CO -0.30 0.49 0.34 0.87 -1.00 0.00 0.00 179.01 179.41 3dpt h LYS 638 N 0.66 0.89 -0.43 2.33 1.57 -0.42 -0.71 116.57 120.46 3dpt h LYS 638 Ca 0.18 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 3dpt h LYS 638 Cb -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3dpt h LYS 638 CO -0.03 0.68 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.16 3dpt h LEU 639 N 0.86 1.01 0.13 2.94 3.38 -0.57 -2.06 115.31 121.01 3dpt h LEU 639 Ca 0.22 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3dpt h LEU 639 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3dpt h LEU 639 CO -0.03 1.22 -0.06 0.58 0.09 0.00 0.00 178.44 180.23 3dpt h VAL 640 N 0.80 0.92 -0.77 1.22 2.07 -0.92 -1.28 116.25 118.28 3dpt h VAL 640 Ca 0.09 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.52 3dpt h VAL 640 Cb 0.88 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3dpt h VAL 640 CO 0.08 0.05 0.39 -0.33 0.02 0.00 0.00 177.57 177.78 3dpt h GLU 641 N -0.27 0.61 0.03 1.57 3.07 -1.07 -0.67 114.58 117.85 3dpt h GLU 641 Ca -0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3dpt h GLU 641 Cb 0.22 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3dpt h GLU 641 CO 0.03 0.41 -0.01 0.00 -1.40 0.00 0.00 179.01 178.03 3dpt h ALA 642 N 1.47 -0.04 0.00 3.43 0.00 -1.29 -1.96 119.26 120.87 3dpt h ALA 642 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3dpt h ALA 642 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dpt h ALA 642 CO -0.30 -0.22 -0.07 1.79 0.00 0.00 0.00 179.25 180.45 3dpt h THR 643 N -0.64 1.04 0.45 0.00 1.35 -1.15 0.70 112.91 114.65 3dpt h THR 643 Ca -0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 3dpt h THR 643 Cb 0.59 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3dpt h THR 643 CO 0.01 0.07 -0.22 0.74 -0.25 0.00 0.00 175.52 175.87 3dpt h THR 644 N 0.00 0.49 0.11 6.82 2.02 -1.10 -3.36 112.91 117.88 3dpt h THR 644 Ca -0.00 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3dpt h THR 644 Cb 0.13 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3dpt h THR 644 CO 0.01 0.07 -0.05 0.00 0.37 0.00 0.00 175.52 175.91 3dpt h ALA 645 N -0.47 -0.86 -2.30 6.16 0.00 -0.52 -3.40 119.26 117.86 3dpt h ALA 645 Ca -0.06 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.30 3dpt h ALA 645 Cb 0.57 0.06 0.15 0.00 0.00 0.00 0.00 17.79 18.56 3dpt h ALA 645 CO 0.10 -0.85 0.29 -0.65 0.00 0.00 0.00 179.25 178.15 3dpt s GLN 646 N -2.97 1.92 0.23 0.00 -0.21 0.16 -4.96 119.66 113.83 3dpt s GLN 646 Ca -0.02 1.24 0.18 0.00 0.02 0.00 0.00 55.36 56.77 3dpt s GLN 646 Cb 0.00 -1.85 0.04 0.00 1.00 0.00 0.00 33.01 32.20 3dpt s GLN 646 CO 0.06 -1.90 1.24 0.00 -2.12 0.00 0.00 175.29 172.57 3dpt h ARG 647 N -1.32 0.00 -2.84 2.91 3.08 -1.79 -3.37 114.38 111.04 3dpt h ARG 647 Ca -0.44 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.68 3dpt h ARG 647 Cb 1.24 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.21 3dpt h ARG 647 CO 0.49 0.29 0.29 1.52 -1.07 0.00 0.00 179.97 181.49 3dpt s TYR 648 N -3.05 -0.29 0.16 3.04 1.13 -1.26 -2.78 117.35 114.31 3dpt s TYR 648 Ca 0.02 -0.05 0.10 0.00 -1.41 0.00 0.00 57.07 55.73 3dpt s TYR 648 Cb 0.08 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.54 3dpt s TYR 648 CO 0.76 -1.01 -0.23 -0.51 -2.51 0.00 0.00 175.55 172.04 3dpt s LEU 649 N -2.84 2.39 0.46 -3.49 1.43 -0.08 -4.93 118.68 111.62 3dpt s LEU 649 Ca 0.08 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3dpt s LEU 649 Cb -0.04 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 3dpt s LEU 649 CO -0.00 0.10 0.68 0.54 0.23 0.00 0.00 176.35 177.89 3dpt s ASN 650 N -2.43 5.80 0.19 2.29 2.20 -1.26 -1.53 114.94 120.20 3dpt s ASN 650 Ca 0.17 0.27 -0.21 0.00 -0.94 0.00 0.00 52.86 52.14 3dpt s ASN 650 Cb -0.08 -1.50 0.12 0.00 -2.00 0.00 0.00 41.25 37.79 3dpt s ASN 650 CO 0.08 -0.72 1.58 -0.09 -2.94 0.00 0.00 177.10 175.00 3dpt h ARG 651 N 0.38 -0.15 -0.54 3.55 9.65 -1.31 -0.74 114.38 125.22 3dpt h ARG 651 Ca -0.46 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.37 3dpt h ARG 651 Cb 1.25 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 3dpt h ARG 651 CO 0.57 -0.10 0.07 1.79 2.80 0.00 0.00 179.97 185.11 3dpt h THR 652 N -0.15 1.24 -0.66 0.20 1.35 -1.96 0.79 112.91 113.72 3dpt h THR 652 Ca 0.24 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 65.18 3dpt h THR 652 Cb 0.56 0.75 -0.04 0.00 -1.73 0.00 0.00 68.15 67.69 3dpt h THR 652 CO -0.72 0.34 0.43 -0.33 -0.25 0.00 0.00 175.52 174.98 3dpt h GLU 653 N 0.81 0.83 -0.10 4.72 5.08 -1.73 -0.82 114.58 123.37 3dpt h GLU 653 Ca 0.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dpt h GLU 653 Cb 0.38 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3dpt h GLU 653 CO 0.01 0.55 -0.04 0.28 -1.00 0.00 0.00 179.01 178.81 3dpt h VAL 654 N 0.85 1.31 -0.75 3.13 2.07 -0.60 -2.69 116.25 119.57 3dpt h VAL 654 Ca 0.25 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.81 3dpt h VAL 654 Cb -0.04 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3dpt h VAL 654 CO -0.08 0.29 0.44 -0.33 0.02 0.00 0.00 177.57 177.91 3dpt h GLU 655 N -0.15 0.77 -0.56 1.57 5.08 -0.74 -1.19 114.58 119.36 3dpt h GLU 655 Ca 0.02 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3dpt h GLU 655 Cb 0.48 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3dpt h GLU 655 CO 0.01 0.51 0.28 0.87 -1.00 0.00 0.00 179.01 179.68 3dpt h LYS 656 N 0.79 0.50 -0.68 2.33 1.57 -1.10 0.11 116.57 120.09 3dpt h LYS 656 Ca 0.34 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3dpt h LYS 656 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3dpt h LYS 656 CO -0.19 0.33 0.32 0.82 -0.57 0.00 0.00 179.45 180.17 3dpt h ILE 657 N 0.52 1.23 -0.06 1.86 2.04 -0.99 0.11 117.51 122.22 3dpt h ILE 657 Ca 0.26 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3dpt h ILE 657 Cb 0.20 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3dpt h ILE 657 CO -0.20 0.27 0.03 0.00 0.00 0.00 0.00 178.15 178.25 3dpt h ASN 659 N -0.05 -0.27 -1.00 0.00 2.35 -0.50 -0.16 115.58 115.96 3dpt h ASN 659 Ca 0.02 0.03 0.21 0.00 -0.55 0.00 0.00 56.30 56.01 3dpt h ASN 659 Cb 0.15 0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.52 3dpt h ASN 659 CO -0.00 -0.15 0.62 0.44 -1.65 0.00 0.00 177.43 176.68 3dpt h ASP 660 N -0.20 0.70 -0.46 5.81 3.32 -0.77 -0.53 116.42 124.29 3dpt h ASP 660 Ca 0.02 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3dpt h ASP 660 Cb 0.22 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3dpt h ASP 660 CO -0.06 0.22 0.00 -1.20 -1.72 0.00 0.00 179.24 176.49 3dpt n SER 661 N -4.74 2.83 0.00 6.45 7.64 -0.67 -4.93 113.62 120.21 3dpt n SER 661 Ca 0.24 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3dpt n SER 661 Cb 0.64 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 3dpt n SER 661 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dpt n GLY 662 N 1.09 2.96 3.55 0.23 0.00 -0.21 -4.60 105.19 108.21 3dpt n GLY 662 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3dpt n GLY 662 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpt s ILE 663 N -2.92 3.62 -0.19 -0.61 1.01 -0.16 -4.79 121.20 117.15 3dpt s ILE 663 Ca 0.00 0.12 0.17 0.00 0.00 0.00 0.00 60.65 60.94 3dpt s ILE 663 Cb 0.00 -4.58 -0.23 0.00 0.01 0.00 0.00 42.46 37.65 3dpt s ILE 663 CO 0.00 -1.53 0.06 0.35 0.00 0.00 0.00 174.94 173.82 3dpt n THR 664 N 6.81 1.32 -1.99 2.92 -2.24 -1.26 -3.31 114.28 116.53 3dpt n THR 664 Ca 0.15 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 3dpt n THR 664 Cb 0.50 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 3dpt n THR 664 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dpt s ASP 665 N -5.38 6.66 0.29 3.42 2.15 -1.26 -4.91 116.67 117.64 3dpt s ASP 665 Ca -0.10 2.36 0.01 0.00 0.43 0.00 0.00 52.55 55.25 3dpt s ASP 665 Cb 0.06 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.67 3dpt s ASP 665 CO 0.78 -0.87 1.85 1.55 -0.17 0.00 0.00 175.17 178.31 3dpt h PRO 666 N 8.59 0.99 0.66 4.34 0.13 -2.00 -1.67 132.00 143.03 3dpt h PRO 666 Ca -0.41 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3dpt h PRO 666 Cb 1.19 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 32.11 3dpt h PRO 666 CO 0.93 0.65 -0.32 0.78 -0.23 0.00 0.00 178.00 179.82 3dpt h GLY 667 N 1.01 -0.92 -0.03 1.56 0.00 -2.01 -2.64 103.07 100.04 3dpt h GLY 667 Ca 0.48 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.25 3dpt h GLY 667 CO -0.24 -0.34 -0.17 -2.09 0.00 0.00 0.00 176.54 173.71 3dpt h GLU 668 N -0.89 -0.06 -0.63 4.80 4.81 -1.94 -2.15 114.58 118.53 3dpt h GLU 668 Ca -0.09 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3dpt h GLU 668 Cb 0.68 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.96 3dpt h GLU 668 CO 0.15 -0.04 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.25 3dpt h ARG 669 N -0.06 0.08 -0.88 1.92 2.43 -1.30 0.48 114.38 117.05 3dpt h ARG 669 Ca 0.23 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3dpt h ARG 669 Cb 0.41 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3dpt h ARG 669 CO -0.51 0.05 0.49 0.87 -1.51 0.00 0.00 179.97 179.35 3dpt h LYS 670 N 0.08 1.23 -0.09 0.20 1.57 -1.01 -1.98 116.57 116.56 3dpt h LYS 670 Ca 0.32 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 3dpt h LYS 670 Cb 0.52 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3dpt h LYS 670 CO -0.57 0.90 -0.79 1.79 -0.57 0.00 0.00 179.45 180.20 3dpt h THR 671 N 1.23 1.34 -0.47 -0.16 1.35 -1.10 -1.51 112.91 113.59 3dpt h THR 671 Ca 0.31 -2.12 0.07 0.00 -0.55 0.00 0.00 66.41 64.12 3dpt h THR 671 Cb 0.02 2.12 -0.06 0.00 -1.73 0.00 0.00 68.15 68.49 3dpt h THR 671 CO -0.05 0.65 0.11 0.25 -0.25 0.00 0.00 175.52 176.23 3dpt h LEU 672 N 0.38 0.03 -1.29 3.87 5.85 -0.73 -1.30 115.31 122.12 3dpt h LEU 672 Ca -0.05 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3dpt h LEU 672 Cb 1.40 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 3dpt h LEU 672 CO 0.15 0.05 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.91 3dpt h LEU 673 N 0.25 0.07 -0.65 2.25 3.38 -1.29 -1.55 115.31 117.76 3dpt h LEU 673 Ca 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dpt h LEU 673 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3dpt h LEU 673 CO -0.29 0.38 0.42 1.23 0.09 0.00 0.00 178.44 180.28 3dpt h GLY 674 N 1.00 0.91 1.34 0.83 0.00 -0.32 -2.18 103.07 104.65 3dpt h GLY 674 Ca 0.01 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 46.72 3dpt h GLY 674 CO 0.04 0.34 -1.12 -0.97 0.00 0.00 0.00 176.54 174.83 3dpt h TYR 675 N 0.88 0.88 -0.92 5.60 0.99 -0.81 -0.84 116.97 122.75 3dpt h TYR 675 Ca 0.24 -0.52 0.04 0.00 2.00 0.00 0.00 58.73 60.48 3dpt h TYR 675 Cb -0.09 -0.08 -0.06 0.00 1.00 0.00 0.00 36.73 37.50 3dpt h TYR 675 CO -0.03 1.36 0.59 -0.07 -0.00 0.00 0.00 178.16 180.02 3dpt h LEU 676 N 0.28 0.97 0.17 3.88 3.38 -1.28 -0.23 115.31 122.48 3dpt h LEU 676 Ca -0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3dpt h LEU 676 Cb 1.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3dpt h LEU 676 CO 0.21 0.66 -0.08 -1.13 0.09 0.00 0.00 178.44 178.19 3dpt h ASN 677 N 1.13 -0.19 -0.23 -0.43 -1.24 -1.03 -1.42 115.58 112.17 3dpt h ASN 677 Ca 0.37 -0.15 0.07 0.00 0.71 0.00 0.00 56.30 57.30 3dpt h ASN 677 Cb 0.04 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 3dpt h ASN 677 CO -0.13 0.05 0.23 0.78 -1.29 0.00 0.00 177.43 177.06 3dpt h ASN 678 N -0.43 0.00 -0.13 1.15 2.35 -0.70 -0.36 115.58 117.46 3dpt h ASN 678 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dpt h ASN 678 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3dpt h ASN 678 CO 0.04 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.00 3dpt n LEU 679 N -3.94 2.66 -1.89 1.61 4.77 -0.14 -4.96 117.00 115.12 3dpt n LEU 679 Ca 0.03 -0.98 -0.19 0.00 -0.03 0.00 0.00 56.01 54.84 3dpt n LEU 679 Cb 0.37 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3dpt n LEU 679 CO 0.29 0.49 -0.22 0.61 -1.33 0.00 0.00 177.39 177.23 3dpt n GLY 680 N 1.33 0.50 0.10 -0.72 0.00 -0.15 -4.90 105.19 101.36 3dpt n GLY 680 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3dpt n GLY 680 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dpt h ILE 681 N 0.00 1.37 -3.33 -0.61 2.04 -1.52 -3.46 117.51 112.00 3dpt h ILE 681 Ca -0.43 -2.41 -0.21 0.00 1.00 0.00 0.00 64.86 62.81 3dpt h ILE 681 Cb 1.30 2.99 -0.29 0.00 -0.74 0.00 0.00 36.82 40.08 3dpt h ILE 681 CO 0.55 0.64 -0.57 -0.69 0.00 0.00 0.00 178.15 178.08 3dpt s VAL 682 N -2.38 -0.02 0.05 1.67 1.01 -1.20 -4.61 120.40 114.93 3dpt s VAL 682 Ca -0.19 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3dpt s VAL 682 Cb 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 3dpt s VAL 682 CO 0.75 0.03 0.45 -0.76 0.00 0.00 0.00 175.10 175.57 3dpt s LEU 683 N 0.54 4.43 -0.22 3.92 1.43 -0.00 -2.41 118.68 126.37 3dpt s LEU 683 Ca -0.04 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 53.97 3dpt s LEU 683 Cb -0.05 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.43 3dpt s LEU 683 CO -0.02 0.24 0.45 -0.47 0.23 0.00 0.00 176.35 176.77 3dpt s TYR 684 N -1.23 -0.89 -0.53 0.29 5.04 -1.26 -0.43 117.35 118.34 3dpt s TYR 684 Ca 0.29 1.54 -0.03 0.00 -2.44 0.00 0.00 57.07 56.43 3dpt s TYR 684 Cb -0.16 0.34 0.14 0.00 0.35 0.00 0.00 41.96 42.62 3dpt s TYR 684 CO 0.16 -0.54 0.34 -0.06 -1.34 0.00 0.00 175.55 174.11 3dpt s PHE 685 N 2.65 3.49 0.52 4.97 0.08 -1.26 -4.92 117.98 123.50 3dpt s PHE 685 Ca 0.00 -2.54 0.42 0.00 0.12 0.00 0.00 56.93 54.92 3dpt s PHE 685 Cb -0.12 -3.23 2.15 0.00 -0.57 0.00 0.00 43.02 41.24 3dpt s PHE 685 CO -0.14 -0.90 2.27 1.05 -0.10 0.00 0.00 175.22 177.40 3dpt h GLU 686 N 7.52 0.00 0.00 0.44 4.11 -1.99 0.41 114.58 125.07 3dpt h GLU 686 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3dpt h GLU 686 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3dpt h GLU 686 CO 0.72 0.00 -0.49 0.00 0.07 0.00 0.00 179.01 179.31 3dpt h ALA 687 N 2.00 0.74 0.00 1.06 0.00 -2.04 -3.37 119.26 117.65 3dpt h ALA 687 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3dpt h ALA 687 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3dpt h ALA 687 CO 0.00 0.00 -1.90 1.28 0.00 0.00 0.00 179.25 178.63 3dpt n LEU 688 N -2.69 1.93 -3.57 0.00 4.77 -0.46 -5.04 117.00 111.94 3dpt n LEU 688 Ca 0.03 0.36 -0.26 0.00 -0.03 0.00 0.00 56.01 56.11 3dpt n LEU 688 Cb 0.51 -0.82 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3dpt n LEU 688 CO 0.36 0.28 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.98 3dpt n ASP 689 N -4.34 -5.23 -4.37 -1.43 2.03 0.13 -4.96 116.55 98.38 3dpt n ASP 689 Ca -0.40 -0.92 -0.34 0.00 0.52 0.00 0.00 54.79 53.65 3dpt n ASP 689 Cb 0.74 -3.93 -0.13 0.00 -0.72 0.00 0.00 41.12 37.07 3dpt n ASP 689 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dpt s LEU 690 N -6.21 2.99 0.21 -2.67 2.96 -1.26 -5.02 118.68 109.68 3dpt s LEU 690 Ca 0.42 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 3dpt s LEU 690 Cb -0.12 -1.74 0.25 0.00 0.50 0.00 0.00 46.19 45.07 3dpt s LEU 690 CO 0.82 0.05 1.78 0.28 -1.32 0.00 0.00 176.35 177.96 3dpt h SER 691 N 7.57 0.38 -0.95 3.68 0.02 -1.97 -2.15 113.55 120.12 3dpt h SER 691 Ca -0.36 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3dpt h SER 691 Cb 1.18 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 3dpt h SER 691 CO 0.60 0.24 0.62 -0.33 -1.14 0.00 0.00 176.83 176.82 3dpt h GLU 692 N 0.53 1.26 -2.85 3.45 4.39 -1.95 -0.13 114.58 119.28 3dpt h GLU 692 Ca 0.29 -0.08 -0.61 0.00 0.34 0.00 0.00 59.36 59.30 3dpt h GLU 692 Cb 0.27 -0.28 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 3dpt h GLU 692 CO -0.23 0.84 -0.68 -0.89 -1.16 0.00 0.00 179.01 176.89 3dpt n ILE 693 N -4.41 0.97 -0.11 3.13 5.41 -0.83 -4.11 119.36 119.41 3dpt n ILE 693 Ca 0.11 -4.53 -0.20 0.00 1.00 0.00 0.00 62.75 59.13 3dpt n ILE 693 Cb 0.02 -2.05 -0.07 0.00 -0.71 0.00 0.00 39.64 36.83 3dpt n ILE 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dpt n TYR 694 N 2.10 0.23 -5.05 1.39 9.36 -0.58 -4.30 117.16 120.30 3dpt n TYR 694 Ca 0.23 0.10 -0.28 0.00 3.32 0.00 0.00 57.90 61.26 3dpt n TYR 694 Cb 0.39 -0.83 -0.16 0.00 -0.63 0.00 0.00 39.34 38.10 3dpt n TYR 694 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3dpt s VAL 695 N -2.59 1.72 0.13 2.97 1.01 -1.05 -4.37 120.40 118.23 3dpt s VAL 695 Ca -0.32 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 60.84 3dpt s VAL 695 Cb 0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3dpt s VAL 695 CO 0.46 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 175.10 3dpt s LEU 696 N -0.18 2.37 -0.08 3.92 1.02 0.43 -0.90 118.68 125.26 3dpt s LEU 696 Ca -0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 54.13 53.07 3dpt s LEU 696 Cb -0.11 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 3dpt s LEU 696 CO 0.02 -0.01 1.31 -0.62 0.02 0.00 0.00 176.35 177.06 3dpt s ASP 697 N -2.30 6.93 0.21 2.29 2.15 -1.12 -0.82 116.67 124.02 3dpt s ASP 697 Ca 0.10 1.87 -0.09 0.00 0.43 0.00 0.00 52.55 54.86 3dpt s ASP 697 Cb -0.08 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.31 3dpt s ASP 697 CO 0.05 -0.71 1.70 -0.65 -0.17 0.00 0.00 175.17 175.40 3dpt h PRO 698 N 8.00 0.26 -0.76 4.34 0.11 -1.89 -2.23 132.00 139.83 3dpt h PRO 698 Ca -0.33 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.84 3dpt h PRO 698 Cb 1.14 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3dpt h PRO 698 CO 0.92 0.17 0.44 1.25 -0.21 0.00 0.00 178.00 180.58 3dpt h HIS 699 N 0.27 0.81 -0.33 0.65 2.76 -1.95 0.28 115.15 117.63 3dpt h HIS 699 Ca 0.32 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 3dpt h HIS 699 Cb 0.49 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3dpt h HIS 699 CO -0.25 0.38 0.09 2.35 -1.30 0.00 0.00 177.93 179.20 3dpt h TRP 700 N 0.79 0.55 0.27 5.26 7.01 -1.75 -1.47 115.95 126.61 3dpt h TRP 700 Ca 0.35 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 3dpt h TRP 700 Cb 0.24 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3dpt h TRP 700 CO -0.06 0.56 -0.13 0.28 -2.79 0.00 0.00 178.44 176.29 3dpt h VAL 701 N 0.39 0.75 -0.04 2.65 2.07 -1.20 -2.66 116.25 118.21 3dpt h VAL 701 Ca 0.11 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3dpt h VAL 701 Cb 0.27 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3dpt h VAL 701 CO -0.00 0.02 -0.22 0.74 0.02 0.00 0.00 177.57 178.13 3dpt h THR 702 N -0.41 0.47 -0.78 2.57 2.02 -0.78 -0.69 112.91 115.30 3dpt h THR 702 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3dpt h THR 702 Cb 0.32 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3dpt h THR 702 CO 0.06 0.00 0.46 0.40 0.37 0.00 0.00 175.52 176.81 3dpt h ILE 703 N -0.33 0.98 0.23 3.11 2.04 -1.36 -0.91 117.51 121.27 3dpt h ILE 703 Ca 0.07 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3dpt h ILE 703 Cb 0.43 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3dpt h ILE 703 CO -0.23 0.15 -0.52 1.23 0.00 0.00 0.00 178.15 178.78 3dpt h GLY 704 N 0.82 -1.20 1.77 5.37 0.00 -0.86 -1.03 103.07 107.95 3dpt h GLY 704 Ca 0.35 0.63 -0.11 0.00 0.00 0.00 0.00 47.33 48.21 3dpt h GLY 704 CO -0.20 -0.30 -0.40 -0.39 0.00 0.00 0.00 176.54 175.25 3dpt h VAL 705 N -0.82 1.31 -0.57 4.60 -1.51 -1.02 -2.31 116.25 115.93 3dpt h VAL 705 Ca -0.02 -1.50 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 3dpt h VAL 705 Cb 0.78 1.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 3dpt h VAL 705 CO -0.22 0.45 0.30 0.22 -1.23 0.00 0.00 177.57 177.09 3dpt h TYR 706 N 0.21 0.80 -0.69 5.19 3.20 -1.08 0.10 116.97 124.71 3dpt h TYR 706 Ca 0.02 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3dpt h TYR 706 Cb 0.81 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3dpt h TYR 706 CO 0.01 0.59 0.45 0.00 -1.64 0.00 0.00 178.16 177.58 3dpt h ARG 707 N 0.77 0.88 -0.19 1.82 3.08 -0.85 0.16 114.38 120.06 3dpt h ARG 707 Ca 0.20 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3dpt h ARG 707 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3dpt h ARG 707 CO -0.03 0.58 0.07 0.82 -1.07 0.00 0.00 179.97 180.34 3dpt h ILE 708 N 0.90 1.18 -0.20 2.04 2.04 -0.95 -1.30 117.51 121.22 3dpt h ILE 708 Ca 0.26 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3dpt h ILE 708 Cb -0.07 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3dpt h ILE 708 CO -0.07 0.17 -0.26 0.40 0.00 0.00 0.00 178.15 178.39 3dpt h ILE 709 N 0.14 1.26 -0.58 -0.67 2.04 -0.54 -3.20 117.51 115.95 3dpt h ILE 709 Ca 0.06 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3dpt h ILE 709 Cb 0.21 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3dpt h ILE 709 CO -0.00 0.38 0.00 0.59 0.00 0.00 0.00 178.15 179.11 3dpt n ASN 710 N -4.13 3.58 -4.76 1.72 4.13 0.55 -4.81 115.26 111.54 3dpt n ASN 710 Ca -0.01 -1.99 -0.37 0.00 1.68 0.00 0.00 54.58 53.90 3dpt n ASN 710 Cb 0.39 -0.39 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 3dpt n ASN 710 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3dpt s SER 711 N -1.03 5.77 0.52 6.41 0.15 -0.50 -4.92 113.70 120.09 3dpt s SER 711 Ca 0.40 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.66 3dpt s SER 711 Cb 0.21 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 63.28 3dpt s SER 711 CO 0.28 -1.20 2.11 0.77 1.20 0.00 0.00 173.24 176.40 3dpt h SER 712 N 1.62 0.00 -0.01 5.45 4.64 -1.92 -2.51 113.55 120.82 3dpt h SER 712 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3dpt h SER 712 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dpt h SER 712 CO 0.58 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.92 3dpt n LYS 713 N -4.10 1.08 -0.20 4.77 5.02 -1.26 -3.30 118.16 120.17 3dpt n LYS 713 Ca -0.03 -0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.18 3dpt n LYS 713 Cb 0.17 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3dpt n LYS 713 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dpt n THR 714 N -0.75 0.71 0.31 -0.18 -2.24 -0.95 -4.56 114.28 106.62 3dpt n THR 714 Ca 0.18 -0.82 0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3dpt n THR 714 Cb 0.11 0.38 0.58 0.00 -2.10 0.00 0.00 70.33 69.31 3dpt n THR 714 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dpt h LYS 715 N 0.00 0.00 -0.16 -0.78 1.57 -1.54 -2.48 116.57 113.18 3dpt h LYS 715 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dpt h LYS 715 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3dpt h LYS 715 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3dpt n ASN 716 N -2.38 2.54 0.00 0.86 4.13 -1.25 -4.78 115.26 114.38 3dpt n ASN 716 Ca 0.01 -2.16 0.00 0.00 1.68 0.00 0.00 54.58 54.11 3dpt n ASN 716 Cb 0.17 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3dpt n ASN 716 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dpt n GLY 717 N -0.16 0.73 3.44 7.41 0.00 -0.81 -4.23 105.19 111.57 3dpt n GLY 717 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3dpt n GLY 717 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dpt s HIS 718 N -2.23 2.87 -0.18 1.61 3.76 -1.26 -0.92 115.29 118.94 3dpt s HIS 718 Ca 0.00 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3dpt s HIS 718 Cb 0.00 -1.84 0.03 0.00 1.11 0.00 0.00 32.58 31.88 3dpt s HIS 718 CO 0.00 -0.07 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.50 3dpt s LEU 719 N 0.14 2.11 -0.10 0.89 2.96 -0.52 -4.04 118.68 120.13 3dpt s LEU 719 Ca -0.05 -0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.85 3dpt s LEU 719 Cb -0.14 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3dpt s LEU 719 CO 0.04 -0.07 1.08 0.20 -1.32 0.00 0.00 176.35 176.28 3dpt s ASN 720 N 1.37 7.16 0.44 3.68 -0.87 -1.26 -0.16 114.94 125.30 3dpt s ASN 720 Ca 0.02 1.62 0.23 0.00 -1.57 0.00 0.00 52.86 53.17 3dpt s ASN 720 Cb -0.14 -2.56 0.95 0.00 -0.02 0.00 0.00 41.25 39.48 3dpt s ASN 720 CO -0.10 -0.51 1.84 0.71 -2.57 0.00 0.00 177.10 176.47 3dpt h THR 721 N 5.09 0.62 -0.44 1.60 1.35 -1.79 -2.25 112.91 117.10 3dpt h THR 721 Ca -0.31 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.37 3dpt h THR 721 Cb 1.15 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 3dpt h THR 721 CO 0.87 0.23 0.00 0.77 -0.25 0.00 0.00 175.52 177.15 3dpt h SER 722 N 0.00 0.67 0.60 5.36 4.64 -1.93 -2.62 113.55 120.27 3dpt h SER 722 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dpt h SER 722 Cb 0.72 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3dpt h SER 722 CO 0.03 0.74 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 3dpt n ALA 723 N -2.47 1.71 -0.31 5.18 0.00 -0.85 -3.83 120.51 119.94 3dpt n ALA 723 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3dpt n ALA 723 Cb 0.28 -1.29 0.31 0.00 0.00 0.00 0.00 19.45 18.75 3dpt n ALA 723 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpt h LEU 724 N 0.00 0.35 0.53 0.00 3.38 -1.49 -1.36 115.31 116.73 3dpt h LEU 724 Ca 0.00 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dpt h LEU 724 Cb 0.30 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3dpt h LEU 724 CO 0.00 0.01 -0.44 1.23 0.09 0.00 0.00 178.44 179.33 3dpt h GLY 725 N 0.42 -1.11 0.00 0.83 0.00 -1.81 -1.38 103.07 100.02 3dpt h GLY 725 Ca 0.56 0.51 0.02 0.00 0.00 0.00 0.00 47.33 48.41 3dpt h GLY 725 CO -0.52 -0.37 -0.51 -1.82 0.00 0.00 0.00 176.54 173.32 3dpt h TYR 726 N -0.96 -1.50 -0.68 5.60 3.20 -1.68 -0.91 116.97 120.04 3dpt h TYR 726 Ca -0.06 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.00 3dpt h TYR 726 Cb 0.82 0.66 -0.11 0.00 1.54 0.00 0.00 36.73 39.63 3dpt h TYR 726 CO -0.19 -0.55 0.07 0.82 -1.64 0.00 0.00 178.16 176.67 3dpt h ILE 727 N -0.64 0.48 0.00 1.81 2.04 -1.19 0.43 117.51 120.43 3dpt h ILE 727 Ca 0.01 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3dpt h ILE 727 Cb 0.69 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3dpt h ILE 727 CO -0.34 0.03 -0.62 -0.07 0.00 0.00 0.00 178.15 177.15 3dpt h LEU 728 N 0.17 0.00 0.00 1.44 3.38 -1.08 -3.38 115.31 115.83 3dpt h LEU 728 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dpt h LEU 728 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dpt h LEU 728 CO -0.54 0.45 -0.98 0.59 0.09 0.00 0.00 178.44 178.05 3dpt n ASN 729 N -3.14 4.66 -0.08 -0.43 3.02 -0.36 -4.78 115.26 114.14 3dpt n ASN 729 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3dpt n ASN 729 Cb 0.73 0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 40.19 3dpt n ASN 729 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dpt n GLU 730 N -2.10 0.44 -1.91 3.52 1.02 0.14 -5.04 120.64 116.72 3dpt n GLU 730 Ca 0.00 0.09 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 3dpt n GLU 730 Cb 0.49 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3dpt n GLU 730 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dpt s GLU 731 N -2.33 4.00 -0.85 3.49 2.12 -0.52 -4.95 118.70 119.65 3dpt s GLU 731 Ca -0.22 2.38 -0.19 0.00 0.36 0.00 0.00 54.97 57.30 3dpt s GLU 731 Cb 0.06 -2.85 0.12 0.00 0.26 0.00 0.00 34.13 31.72 3dpt s GLU 731 CO 0.38 -0.55 1.05 1.14 -0.54 0.00 0.00 175.26 176.75 3dpt s GLN 732 N -2.18 3.48 -0.24 4.30 1.03 -1.26 -4.99 119.66 119.80 3dpt s GLN 732 Ca 0.55 -1.61 -0.07 0.00 0.04 0.00 0.00 55.36 54.27 3dpt s GLN 732 Cb -0.43 -4.73 -0.03 0.00 0.03 0.00 0.00 33.01 27.85 3dpt s GLN 732 CO 0.57 -1.74 0.08 0.42 -2.54 0.00 0.00 175.29 172.07 3dpt s ILE 733 N 2.79 4.44 -1.23 3.63 1.01 -1.26 -5.06 121.20 125.52 3dpt s ILE 733 Ca 0.29 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 3dpt s ILE 733 Cb -0.08 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.36 3dpt s ILE 733 CO -0.05 0.35 1.72 0.00 0.00 0.00 0.00 174.94 176.96 3dpt s ARG 734 N 1.43 3.71 -0.88 2.79 1.04 -1.26 -5.12 118.95 120.66 3dpt s ARG 734 Ca 0.06 -1.72 0.01 0.00 -1.04 0.00 0.00 55.73 53.04 3dpt s ARG 734 Cb -0.15 -5.46 0.32 0.00 -2.04 0.00 0.00 34.95 27.62 3dpt s ARG 734 CO 0.04 -2.48 1.46 1.63 -0.04 0.00 0.00 175.30 175.90 3dpt n LYS 745 N 8.48 4.49 -3.88 3.89 4.76 -1.26 -5.13 118.16 129.51 3dpt n LYS 745 Ca 0.46 -4.71 -0.35 0.00 -2.87 0.00 0.00 58.31 50.83 3dpt n LYS 745 Cb 0.47 -2.40 -0.14 0.00 -1.84 0.00 0.00 35.03 31.13 3dpt n LYS 745 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3dpt s PHE 746 N -3.75 2.98 0.37 2.13 0.08 -1.26 -5.12 117.98 113.42 3dpt s PHE 746 Ca 0.41 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 3dpt s PHE 746 Cb 0.19 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 3dpt s PHE 746 CO -0.09 -0.51 0.68 0.99 -0.10 0.00 0.00 175.22 176.19 3dpt s THR 747 N 1.50 4.91 -0.14 0.64 2.01 -1.26 -4.81 115.64 118.49 3dpt s THR 747 Ca 0.06 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.31 3dpt s THR 747 Cb -0.14 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.66 3dpt s THR 747 CO -0.02 -0.51 0.08 -0.31 -0.69 0.00 0.00 174.62 173.18 3dpt s TYR 748 N -2.33 0.16 0.94 4.92 2.02 -1.26 -5.09 117.35 116.71 3dpt s TYR 748 Ca 0.47 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.88 3dpt s TYR 748 Cb -0.10 -0.64 0.16 0.00 -0.40 0.00 0.00 41.96 40.97 3dpt s TYR 748 CO 0.33 -0.43 1.13 0.95 -1.57 0.00 0.00 175.55 175.97 3dpt s THR 749 N 2.15 1.98 0.15 -0.71 -4.23 -1.26 -4.66 115.64 109.06 3dpt s THR 749 Ca 0.03 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 3dpt s THR 749 Cb -0.15 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.02 3dpt s THR 749 CO -0.08 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 175.91 3dpt h LEU 750 N -1.63 -0.57 -0.93 4.79 5.85 -2.01 0.17 115.31 120.98 3dpt h LEU 750 Ca -0.51 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 3dpt h LEU 750 Cb 1.33 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 3dpt h LEU 750 CO 0.59 -0.21 0.10 -0.07 -0.34 0.00 0.00 178.44 178.51 3dpt h LEU 751 N -0.16 0.84 -0.82 2.25 3.38 -1.99 -1.13 115.31 117.68 3dpt h LEU 751 Ca 0.14 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3dpt h LEU 751 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3dpt h LEU 751 CO -0.35 0.84 0.33 -0.33 0.09 0.00 0.00 178.44 179.01 3dpt h GLU 752 N 0.84 1.19 -0.31 1.13 5.08 -1.70 0.13 114.58 120.95 3dpt h GLU 752 Ca 0.18 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3dpt h GLU 752 Cb 0.36 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3dpt h GLU 752 CO 0.01 0.96 0.13 1.96 -1.00 0.00 0.00 179.01 181.07 3dpt h GLN 753 N 1.17 0.27 -0.81 2.33 4.20 -0.37 -1.44 115.11 120.45 3dpt h GLN 753 Ca 0.27 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3dpt h GLN 753 Cb 0.21 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3dpt h GLN 753 CO -0.02 0.18 0.50 -0.09 -0.67 0.00 0.00 178.83 178.73 3dpt h ARG 754 N 0.28 1.09 -0.57 1.46 2.43 -0.61 -2.03 114.38 116.44 3dpt h ARG 754 Ca 0.13 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3dpt h ARG 754 Cb 0.07 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3dpt h ARG 754 CO -0.11 0.76 0.31 -0.92 -1.51 0.00 0.00 179.97 178.50 3dpt h TYR 755 N 1.11 0.79 -0.67 2.20 3.20 -0.47 -1.74 116.97 121.38 3dpt h TYR 755 Ca 0.29 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.23 3dpt h TYR 755 Cb -0.06 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 37.89 3dpt h TYR 755 CO -0.01 0.57 0.32 -0.07 -1.64 0.00 0.00 178.16 177.33 3dpt h LEU 756 N 0.77 0.41 -0.55 2.82 4.07 -0.84 -0.86 115.31 121.14 3dpt h LEU 756 Ca 0.20 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.25 3dpt h LEU 756 Cb 0.04 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 3dpt h LEU 756 CO -0.03 0.24 0.32 -0.07 -1.08 0.00 0.00 178.44 177.82 3dpt h LEU 757 N 0.56 0.51 -0.79 1.67 3.38 -0.79 -0.93 115.31 118.90 3dpt h LEU 757 Ca 0.33 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.35 3dpt h LEU 757 Cb 0.34 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3dpt h LEU 757 CO -0.26 0.35 0.50 0.44 0.09 0.00 0.00 178.44 179.56 3dpt h ASP 758 N 0.63 0.82 -0.31 -0.43 3.32 -0.48 0.32 116.42 120.29 3dpt h ASP 758 Ca 0.23 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.30 3dpt h ASP 758 Cb 0.05 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3dpt h ASP 758 CO -0.11 0.56 0.15 0.40 -1.72 0.00 0.00 179.24 178.52 3dpt h ILE 759 N 0.97 0.98 -0.45 0.35 2.04 -0.46 0.22 117.51 121.16 3dpt h ILE 759 Ca 0.32 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 66.10 3dpt h ILE 759 Cb 0.04 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3dpt h ILE 759 CO -0.12 0.06 0.25 0.24 0.00 0.00 0.00 178.15 178.57 3dpt h MET 760 N 0.32 0.48 0.11 2.37 2.86 -0.48 0.21 114.93 120.81 3dpt h MET 760 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3dpt h MET 760 Cb 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3dpt h MET 760 CO -0.09 0.32 -0.05 0.87 1.06 0.00 0.00 176.91 179.01 3dpt h LYS 761 N 0.50 -0.14 -0.82 1.72 1.57 -0.57 -0.66 116.57 118.16 3dpt h LYS 761 Ca 0.19 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.14 3dpt h LYS 761 Cb 0.05 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 32.24 3dpt h LYS 761 CO -0.11 -0.02 -0.19 0.37 -0.57 0.00 0.00 179.45 178.94 3dpt h GLN 762 N -0.24 0.01 0.00 3.15 5.75 -0.14 0.43 115.11 124.06 3dpt h GLN 762 Ca -0.02 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3dpt h GLN 762 Cb 0.20 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3dpt h GLN 762 CO 0.03 0.00 0.00 1.19 -2.65 0.00 0.00 178.83 177.40 3dpt n PHE 763 N -5.52 0.00 -3.38 3.99 3.72 0.70 -4.90 117.46 112.07 3dpt n PHE 763 Ca 0.12 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.28 3dpt n PHE 763 Cb 0.43 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.02 3dpt n PHE 763 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3dpt n GLU 764 N -0.62 -6.27 0.01 -1.08 1.02 0.15 -4.92 120.64 108.93 3dpt n GLU 764 Ca 0.05 0.83 0.11 0.00 -0.02 0.00 0.00 57.16 58.13 3dpt n GLU 764 Cb 0.03 -5.77 0.03 0.00 -0.02 0.00 0.00 31.44 25.70 3dpt n GLU 764 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dpt n LEU 765 N -4.52 0.69 -3.87 -4.62 4.77 -0.31 -4.76 117.00 104.38 3dpt n LEU 765 Ca -0.04 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.68 3dpt n LEU 765 Cb 0.58 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3dpt n LEU 765 CO 0.58 0.13 0.44 0.00 -1.33 0.00 0.00 177.39 177.21 3dpt s TYR 767 N -3.33 -0.07 -0.36 0.00 -0.85 -0.88 -4.59 117.35 107.26 3dpt s TYR 767 Ca 0.15 -0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 56.20 3dpt s TYR 767 Cb -0.05 0.36 0.01 0.00 0.38 0.00 0.00 41.96 42.66 3dpt s TYR 767 CO 0.10 -0.91 0.76 0.34 -1.52 0.00 0.00 175.55 174.32 3dpt s ASP 768 N -2.88 6.53 0.21 -0.18 -1.08 -1.26 -0.73 116.67 117.27 3dpt s ASP 768 Ca 0.10 0.32 0.09 0.00 -0.52 0.00 0.00 52.55 52.53 3dpt s ASP 768 Cb -0.01 -2.38 0.12 0.00 -1.46 0.00 0.00 42.92 39.19 3dpt s ASP 768 CO -0.02 -0.71 1.47 -0.08 0.52 0.00 0.00 175.17 176.35 3dpt h GLU 769 N 8.47 0.01 0.00 4.34 4.81 -1.57 -3.48 114.58 127.16 3dpt h GLU 769 Ca -0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3dpt h GLU 769 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3dpt h GLU 769 CO 0.90 0.78 0.00 0.41 -0.73 0.00 0.00 179.01 180.37 3dpt n GLY 770 N 0.71 1.97 2.73 1.92 0.00 -1.25 -5.01 105.19 106.26 3dpt n GLY 770 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3dpt n GLY 770 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dpt n LYS 771 N -0.30 1.37 -1.00 1.61 2.85 -1.26 -4.92 118.16 116.52 3dpt n LYS 771 Ca 0.00 -2.81 -0.00 0.00 -1.05 0.00 0.00 58.31 54.45 3dpt n LYS 771 Cb 0.00 -0.92 -0.00 0.00 -0.65 0.00 0.00 35.03 33.46 3dpt n LYS 771 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dpt n GLY 772 N -0.54 0.47 3.10 2.58 0.00 -1.26 -5.02 105.19 104.52 3dpt n GLY 772 Ca 0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3dpt n GLY 772 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dpt s LEU 773 N -0.03 3.47 0.41 0.99 0.20 -1.26 -1.90 118.68 120.55 3dpt s LEU 773 Ca 0.00 -1.31 -0.08 0.00 0.69 0.00 0.00 54.13 53.42 3dpt s LEU 773 Cb 0.00 -1.59 -0.05 0.00 -0.43 0.00 0.00 46.19 44.12 3dpt s LEU 773 CO 0.00 -0.19 0.75 -0.36 -0.29 0.00 0.00 176.35 176.26 3dpt s PHE 774 N 1.15 3.50 -0.14 5.38 2.99 0.77 -1.41 117.98 130.22 3dpt s PHE 774 Ca -0.07 0.94 0.01 0.00 0.00 0.00 0.00 56.93 57.80 3dpt s PHE 774 Cb -0.19 -2.37 -0.01 0.00 0.00 0.00 0.00 43.02 40.45 3dpt s PHE 774 CO -0.05 -0.13 -0.16 0.42 -0.00 0.00 0.00 175.22 175.31 3dpt s ILE 775 N -2.45 2.72 -0.80 0.64 1.01 0.09 -1.44 121.20 120.97 3dpt s ILE 775 Ca 0.49 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3dpt s ILE 775 Cb -0.10 -2.13 0.20 0.00 0.01 0.00 0.00 42.46 40.44 3dpt s ILE 775 CO 0.35 0.52 0.68 -0.63 0.00 0.00 0.00 174.94 175.87 3dpt s ILE 776 N 0.57 4.69 0.35 2.92 1.01 -0.10 -2.06 121.20 128.58 3dpt s ILE 776 Ca -0.10 -3.04 0.13 0.00 0.00 0.00 0.00 60.65 57.64 3dpt s ILE 776 Cb -0.16 -3.94 0.34 0.00 0.01 0.00 0.00 42.46 38.71 3dpt s ILE 776 CO 0.04 -1.00 1.74 -0.65 0.00 0.00 0.00 174.94 175.06 3dpt h PRO 777 N 7.02 0.48 0.00 2.79 0.11 -1.83 0.16 132.00 140.74 3dpt h PRO 777 Ca 0.08 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 3dpt h PRO 777 Cb 0.94 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dpt h PRO 777 CO 0.78 0.32 -0.16 0.66 -0.21 0.00 0.00 178.00 179.39 3dpt h SER 778 N 0.50 0.00 -0.05 -2.05 4.64 -1.93 -2.02 113.55 112.64 3dpt h SER 778 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3dpt h SER 778 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3dpt h SER 778 CO -0.43 0.16 0.00 0.59 -0.87 0.00 0.00 176.83 176.28 3dpt n ASN 779 N -4.01 0.92 -4.75 4.97 4.13 0.56 -4.95 115.26 112.14 3dpt n ASN 779 Ca -0.02 -1.43 -0.33 0.00 1.68 0.00 0.00 54.58 54.48 3dpt n ASN 779 Cb 0.24 -0.03 0.07 0.00 -1.54 0.00 0.00 39.78 38.53 3dpt n ASN 779 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dpt s LEU 780 N -1.80 3.29 0.69 3.41 1.43 -0.76 -1.92 118.68 123.02 3dpt s LEU 780 Ca 0.37 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.39 3dpt s LEU 780 Cb 0.19 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.87 3dpt s LEU 780 CO 0.30 -1.95 1.22 -2.84 0.23 0.00 0.00 176.35 173.31 3dpt s PRO 781 N -4.19 2.35 0.47 1.29 0.02 -1.26 -4.19 135.00 129.49 3dpt s PRO 781 Ca 0.68 1.83 0.26 0.00 0.02 0.00 0.00 61.00 63.79 3dpt s PRO 781 Cb -0.22 -1.85 0.80 0.00 0.02 0.00 0.00 34.50 33.24 3dpt s PRO 781 CO 0.45 -1.69 1.77 1.79 -0.33 0.00 0.00 177.00 178.99 3dpt h THR 782 N 0.05 0.16 -3.95 0.99 1.35 -1.95 -0.14 112.91 109.42 3dpt h THR 782 Ca -0.49 -0.94 -0.33 0.00 -0.55 0.00 0.00 66.41 64.10 3dpt h THR 782 Cb 1.30 1.82 -0.27 0.00 -1.73 0.00 0.00 68.15 69.27 3dpt h THR 782 CO 0.51 0.08 -0.76 -1.10 -0.25 0.00 0.00 175.52 174.00 3dpt s GLN 783 N -3.43 0.52 -0.06 4.72 1.11 -1.26 -4.56 119.66 116.71 3dpt s GLN 783 Ca 0.03 -0.34 0.04 0.00 0.01 0.00 0.00 55.36 55.10 3dpt s GLN 783 Cb 0.08 -0.47 -0.02 0.00 -1.01 0.00 0.00 33.01 31.58 3dpt s GLN 783 CO 0.62 0.12 -0.18 -1.50 0.01 0.00 0.00 175.29 174.37 3dpt s ILE 784 N -0.40 2.75 0.12 1.08 1.10 -1.26 -5.03 121.20 119.56 3dpt s ILE 784 Ca 0.00 -0.83 -0.15 0.00 -0.51 0.00 0.00 60.65 59.17 3dpt s ILE 784 Cb -0.04 -2.06 -0.03 0.00 0.15 0.00 0.00 42.46 40.47 3dpt s ILE 784 CO -0.00 0.58 1.54 0.44 -2.11 0.00 0.00 174.94 175.38 3dpt h ASP 785 N 5.69 0.70 -0.24 4.50 3.32 -2.01 -3.10 116.42 125.29 3dpt h ASP 785 Ca -0.40 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.25 3dpt h ASP 785 Cb 1.16 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 3dpt h ASP 785 CO 0.50 0.88 0.06 -0.46 -1.72 0.00 0.00 179.24 178.51 3dpt n ASN 786 N -4.41 2.82 -4.55 6.45 6.94 -1.26 -4.94 115.26 116.31 3dpt n ASN 786 Ca -0.01 -2.39 -0.46 0.00 -0.02 0.00 0.00 54.58 51.70 3dpt n ASN 786 Cb 0.33 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 3dpt n ASN 786 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3dpt n GLU 787 N 0.14 1.71 -1.73 -3.83 2.13 -1.17 -4.95 120.64 112.93 3dpt n GLU 787 Ca 0.13 0.47 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 3dpt n GLU 787 Cb 0.67 -2.98 0.07 0.00 0.27 0.00 0.00 31.44 29.48 3dpt n GLU 787 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3dpt s PRO 788 N 6.22 2.34 -0.01 5.31 0.04 -1.26 -5.07 135.00 142.56 3dpt s PRO 788 Ca 1.03 0.49 0.01 0.00 0.04 0.00 0.00 61.00 62.57 3dpt s PRO 788 Cb -0.51 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3dpt s PRO 788 CO 0.40 -1.41 0.00 -1.21 0.04 0.00 0.00 177.00 174.83 3dpt s GLU 789 N -5.29 2.82 -0.52 4.56 0.41 -1.26 -5.08 118.70 114.33 3dpt s GLU 789 Ca 0.60 -0.58 -0.19 0.00 -0.41 0.00 0.00 54.97 54.39 3dpt s GLU 789 Cb -0.13 -2.69 0.07 0.00 -1.78 0.00 0.00 34.13 29.60 3dpt s GLU 789 CO 0.53 0.64 0.64 0.42 -0.49 0.00 0.00 175.26 176.99 3dpt s ILE 790 N -1.06 4.87 0.00 -1.63 1.09 -1.26 -4.79 121.20 118.42 3dpt s ILE 790 Ca 0.19 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 3dpt s ILE 790 Cb -0.11 -4.34 0.00 0.00 -1.06 0.00 0.00 42.46 36.95 3dpt s ILE 790 CO 0.09 -0.87 0.00 0.35 -0.10 0.00 0.00 174.94 174.41 3dpt n THR 791 N 5.59 0.00 -2.05 2.92 -2.24 -1.26 -4.89 114.28 112.35 3dpt n THR 791 Ca -0.07 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 3dpt n THR 791 Cb 0.45 0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3dpt n THR 791 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dpt s GLU 792 N -0.01 3.89 3.17 -0.78 2.02 -1.26 -4.74 118.70 120.98 3dpt s GLU 792 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3dpt s GLU 792 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3dpt s GLU 792 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 3dpt n GLY 793 N 0.65 1.23 3.28 -1.39 0.00 -1.26 -3.65 105.19 104.05 3dpt n GLY 793 Ca 0.04 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 3dpt n GLY 793 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpt s GLU 794 N 0.00 3.13 0.61 1.61 2.02 -1.26 -5.07 118.70 119.74 3dpt s GLU 794 Ca 0.00 -2.13 -0.19 0.00 0.02 0.00 0.00 54.97 52.67 3dpt s GLU 794 Cb 0.00 -4.24 -0.03 0.00 0.10 0.00 0.00 34.13 29.96 3dpt s GLU 794 CO 0.00 -1.28 1.29 -2.30 0.02 0.00 0.00 175.26 172.99 3dpt n PRO 795 N 4.46 1.28 -3.46 0.39 -0.02 -1.24 -4.91 135.00 131.49 3dpt n PRO 795 Ca 0.01 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 3dpt n PRO 795 Cb 0.43 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 3dpt n PRO 795 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dpt s LEU 796 N -3.85 4.06 -0.01 2.45 0.20 0.76 -4.89 118.68 117.40 3dpt s LEU 796 Ca 0.79 0.23 0.06 0.00 0.69 0.00 0.00 54.13 55.89 3dpt s LEU 796 Cb -0.40 -2.33 -0.03 0.00 -0.43 0.00 0.00 46.19 43.00 3dpt s LEU 796 CO 0.44 -0.11 -0.18 -0.13 -0.29 0.00 0.00 176.35 176.08 3dpt s ARG 797 N 1.80 2.29 -0.13 1.98 0.52 -1.26 0.10 118.95 124.25 3dpt s ARG 797 Ca 0.13 -0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 54.46 3dpt s ARG 797 Cb -0.15 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.12 3dpt s ARG 797 CO 0.09 0.58 0.27 0.12 0.02 0.00 0.00 175.30 176.38 3dpt s PHE 798 N -0.78 -0.41 -0.05 -0.53 5.36 -0.01 -4.43 117.98 117.12 3dpt s PHE 798 Ca 0.12 0.94 0.06 0.00 -0.96 0.00 0.00 56.93 57.10 3dpt s PHE 798 Cb -0.10 0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 3dpt s PHE 798 CO 0.02 -0.32 -0.23 -1.50 -1.46 0.00 0.00 175.22 171.73 3dpt s ILE 799 N 2.06 2.31 -0.22 3.12 2.07 -0.65 -0.80 121.20 129.08 3dpt s ILE 799 Ca -0.02 -0.99 -0.02 0.00 -1.41 0.00 0.00 60.65 58.21 3dpt s ILE 799 Cb -0.11 -1.85 0.01 0.00 0.13 0.00 0.00 42.46 40.64 3dpt s ILE 799 CO -0.09 0.57 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.40 3dpt s MET 800 N -0.38 3.06 -0.26 3.50 -1.94 0.21 -0.50 119.30 122.99 3dpt s MET 800 Ca 0.03 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.08 3dpt s MET 800 Cb -0.12 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 3dpt s MET 800 CO 0.02 -0.29 0.19 0.21 -0.01 0.00 0.00 175.02 175.13 3dpt s LYS 801 N 1.37 4.03 -0.07 2.03 2.20 -0.47 -0.60 119.74 128.23 3dpt s LYS 801 Ca 0.03 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 3dpt s LYS 801 Cb -0.15 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3dpt s LYS 801 CO -0.06 -0.05 0.10 0.71 -0.36 0.00 0.00 175.35 175.69 3dpt s TYR 802 N 1.38 3.42 0.05 4.03 2.02 -0.57 -1.98 117.35 125.69 3dpt s TYR 802 Ca 0.08 0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.91 3dpt s TYR 802 Cb -0.15 -1.84 -0.14 0.00 -0.40 0.00 0.00 41.96 39.44 3dpt s TYR 802 CO 0.07 0.62 1.45 0.22 -1.57 0.00 0.00 175.55 176.34 3dpt h ASP 803 N 4.63 0.23 -3.99 2.29 3.58 -1.70 -3.42 116.42 118.04 3dpt h ASP 803 Ca -0.52 -0.34 -0.54 0.00 0.42 0.00 0.00 57.03 56.05 3dpt h ASP 803 Cb 1.20 -0.06 -0.31 0.00 1.72 0.00 0.00 39.33 41.88 3dpt h ASP 803 CO 0.60 0.52 -0.83 -0.31 -2.88 0.00 0.00 179.24 176.34 3dpt s TYR 804 N -4.84 1.58 -0.45 0.28 2.02 -1.26 -5.06 117.35 109.62 3dpt s TYR 804 Ca -0.14 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.08 3dpt s TYR 804 Cb 0.05 -1.06 0.12 0.00 -0.40 0.00 0.00 41.96 40.67 3dpt s TYR 804 CO 0.71 -0.12 0.29 -1.17 -1.57 0.00 0.00 175.55 173.69 3dpt s LEU 805 N -0.05 5.52 0.37 -1.29 2.96 -1.26 -4.89 118.68 120.04 3dpt s LEU 805 Ca -0.01 -1.99 -0.28 0.00 -0.22 0.00 0.00 54.13 51.63 3dpt s LEU 805 Cb -0.10 -1.93 -0.11 0.00 0.50 0.00 0.00 46.19 44.54 3dpt s LEU 805 CO 0.01 -0.63 1.46 -2.65 -1.32 0.00 0.00 176.35 173.23 3dpt n PRO 806 N 4.74 2.59 0.00 0.98 -0.02 -1.26 -4.84 135.00 137.19 3dpt n PRO 806 Ca -0.05 0.91 0.07 0.00 -2.02 0.00 0.00 63.50 62.41 3dpt n PRO 806 Cb 0.41 -2.62 0.41 0.00 -0.02 0.00 0.00 33.50 31.68 3dpt n PRO 806 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dpt n SER 807 N 0.53 0.00 0.02 2.55 3.41 -1.26 -2.94 113.62 115.94 3dpt n SER 807 Ca 0.02 -1.02 0.11 0.00 -0.26 0.00 0.00 58.87 57.72 3dpt n SER 807 Cb 0.38 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3dpt n SER 807 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dpt n THR 808 N -0.79 0.12 0.15 6.66 -1.04 -1.26 -4.50 114.28 113.62 3dpt n THR 808 Ca 0.10 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.05 61.76 3dpt n THR 808 Cb 0.05 0.32 -0.08 0.00 -1.82 0.00 0.00 70.33 68.79 3dpt n THR 808 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3dpt h ILE 809 N 0.00 0.78 -0.08 12.58 2.04 -1.92 -1.10 117.51 129.80 3dpt h ILE 809 Ca 0.00 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3dpt h ILE 809 Cb 0.70 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3dpt h ILE 809 CO 0.00 0.07 -0.23 0.40 0.00 0.00 0.00 178.15 178.39 3dpt h ILE 810 N -0.52 0.45 -0.67 -0.67 1.08 -1.84 -0.36 117.51 114.99 3dpt h ILE 810 Ca -0.04 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.58 3dpt h ILE 810 Cb 0.38 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3dpt h ILE 810 CO 0.06 0.00 0.46 -0.65 -0.69 0.00 0.00 178.15 177.33 3dpt h PRO 811 N -0.31 0.24 0.01 2.37 0.11 -1.75 -1.31 132.00 131.35 3dpt h PRO 811 Ca 0.09 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.98 3dpt h PRO 811 Cb 0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3dpt h PRO 811 CO -0.26 0.16 -0.97 0.00 -0.21 0.00 0.00 178.00 176.71 3dpt h ARG 812 N 0.25 0.03 -0.19 1.05 3.08 -0.28 -2.53 114.38 115.79 3dpt h ARG 812 Ca 0.32 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 3dpt h ARG 812 Cb 0.92 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 3dpt h ARG 812 CO -0.07 0.97 -0.13 1.25 -1.07 0.00 0.00 179.97 180.92 3dpt h LEU 813 N 0.01 0.44 -0.69 3.04 5.85 -0.43 -1.38 115.31 122.15 3dpt h LEU 813 Ca -0.02 -0.44 0.14 0.00 0.84 0.00 0.00 57.88 58.40 3dpt h LEU 813 Cb 1.70 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.51 3dpt h LEU 813 CO 0.13 0.79 0.13 0.24 -0.34 0.00 0.00 178.44 179.39 3dpt h MET 814 N 0.09 0.23 -0.05 1.25 2.86 -1.26 0.16 114.93 118.21 3dpt h MET 814 Ca 0.04 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3dpt h MET 814 Cb 0.64 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3dpt h MET 814 CO 0.04 0.15 -0.02 0.82 1.06 0.00 0.00 176.91 178.96 3dpt h ILE 815 N 0.24 0.94 0.00 -1.22 2.04 -1.31 0.14 117.51 118.35 3dpt h ILE 815 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.22 3dpt h ILE 815 Cb 0.63 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3dpt h ILE 815 CO -0.49 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 177.56 3dpt h ALA 816 N 1.04 1.38 0.00 1.87 0.00 -0.01 -3.19 119.26 120.35 3dpt h ALA 816 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dpt h ALA 816 Cb 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 3dpt h ALA 816 CO -0.06 0.12 -0.56 -1.33 0.00 0.00 0.00 179.25 177.42 3dpt n MET 817 N -3.75 0.64 -0.31 0.00 2.81 0.41 -4.85 117.12 112.06 3dpt n MET 817 Ca -0.02 -2.16 0.22 0.00 -1.81 0.00 0.00 57.70 53.93 3dpt n MET 817 Cb 0.20 -0.82 0.51 0.00 -0.71 0.00 0.00 33.22 32.40 3dpt n MET 817 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3dpt h GLN 818 N 0.53 0.39 0.00 0.03 3.07 -0.70 -0.01 115.11 118.41 3dpt h GLN 818 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.65 3dpt h GLN 818 Cb 1.37 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3dpt h GLN 818 CO 0.03 0.26 0.00 0.72 0.09 0.00 0.00 178.83 179.93 3dpt n HIS 819 N -4.61 0.47 0.18 0.06 8.25 -1.26 -3.08 115.22 115.23 3dpt n HIS 819 Ca 0.25 0.15 0.05 0.00 -0.26 0.00 0.00 57.72 57.91 3dpt n HIS 819 Cb 0.86 -0.75 0.08 0.00 1.12 0.00 0.00 29.99 31.30 3dpt n HIS 819 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dpt n GLN 820 N -1.90 1.46 -2.36 -0.41 6.02 -0.03 -4.95 117.38 115.21 3dpt n GLN 820 Ca 0.05 -1.49 -0.42 0.00 -0.01 0.00 0.00 57.00 55.13 3dpt n GLN 820 Cb 0.33 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 3dpt n GLN 820 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dpt s ILE 821 N -0.92 4.03 0.00 5.09 1.01 -1.14 -1.43 121.20 127.84 3dpt s ILE 821 Ca 0.16 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3dpt s ILE 821 Cb 0.10 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3dpt s ILE 821 CO 0.14 -0.00 0.02 -0.11 0.00 0.00 0.00 174.94 174.99 3dpt n LEU 822 N 5.26 0.03 -2.65 2.97 0.00 -0.81 -4.49 117.00 117.32 3dpt n LEU 822 Ca 0.12 0.02 -0.27 0.00 0.00 0.00 0.00 56.01 55.88 3dpt n LEU 822 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.86 3dpt n LEU 822 CO 0.57 0.00 0.21 0.47 0.00 0.00 0.00 177.39 178.63 3dpt n ASP 823 N -0.03 4.71 -2.44 1.96 8.00 -1.26 -4.78 116.55 122.70 3dpt n ASP 823 Ca 0.00 -3.71 -0.20 0.00 0.71 0.00 0.00 54.79 51.59 3dpt n ASP 823 Cb 0.00 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3dpt n ASP 823 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dpt n ARG 824 N -0.40 -2.75 -2.32 -1.24 5.12 -1.26 -4.90 116.66 108.91 3dpt n ARG 824 Ca 0.37 0.90 -0.43 0.00 -1.93 0.00 0.00 57.85 56.76 3dpt n ARG 824 Cb 0.56 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 3dpt n ARG 824 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3dpt n MET 825 N -3.23 3.23 -3.77 5.56 2.81 -1.26 -4.87 117.12 115.59 3dpt n MET 825 Ca -0.18 -3.24 -0.15 0.00 -1.81 0.00 0.00 57.70 52.32 3dpt n MET 825 Cb 0.65 -3.20 -0.16 0.00 -0.71 0.00 0.00 33.22 29.80 3dpt n MET 825 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 3dpt s GLN 826 N 2.41 -0.03 0.37 0.03 -2.07 -1.26 -1.19 119.66 117.91 3dpt s GLN 826 Ca 0.46 0.21 0.05 0.00 -1.82 0.00 0.00 55.36 54.25 3dpt s GLN 826 Cb 0.07 -0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 3dpt s GLN 826 CO -0.01 -0.17 0.18 1.67 -1.32 0.00 0.00 175.29 175.64 3dpt s TRP 827 N 1.10 1.74 0.43 9.60 -2.14 0.31 -4.81 118.94 125.17 3dpt s TRP 827 Ca -0.09 -1.42 0.15 0.00 2.66 0.00 0.00 56.10 57.41 3dpt s TRP 827 Cb -0.13 -0.97 1.05 0.00 -3.10 0.00 0.00 33.47 30.32 3dpt s TRP 827 CO -0.03 -0.51 1.94 -0.09 -2.66 0.00 0.00 176.95 175.59 3dpt h ARG 828 N 1.97 0.40 -0.26 3.25 2.43 -1.18 -2.63 114.38 118.37 3dpt h ARG 828 Ca -0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3dpt h ARG 828 Cb 1.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3dpt h ARG 828 CO 0.50 0.26 0.00 0.66 -1.51 0.00 0.00 179.97 179.88 3dpt n TYR 829 N -4.47 0.59 0.00 2.20 4.01 -1.26 -4.81 117.16 113.41 3dpt n TYR 829 Ca 0.13 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 3dpt n TYR 829 Cb 0.49 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3dpt n TYR 829 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dpt n GLY 830 N -0.11 -0.49 3.37 2.72 0.00 -0.99 -0.03 105.19 109.66 3dpt n GLY 830 Ca 0.15 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3dpt n GLY 830 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dpt s MET 831 N -2.00 1.17 -0.11 1.61 0.23 -0.71 -0.53 119.30 118.96 3dpt s MET 831 Ca 0.00 -0.96 0.01 0.00 -1.03 0.00 0.00 55.69 53.71 3dpt s MET 831 Cb 0.00 0.43 -0.01 0.00 -1.53 0.00 0.00 34.83 33.72 3dpt s MET 831 CO 0.00 -0.45 -0.16 0.08 -2.03 0.00 0.00 175.02 172.45 3dpt s VAL 832 N -3.89 2.76 -0.13 5.16 1.01 -0.34 -1.77 120.40 123.20 3dpt s VAL 832 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3dpt s VAL 832 Cb 0.02 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3dpt s VAL 832 CO -0.04 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3dpt s LEU 833 N 0.24 2.31 -0.19 3.92 1.43 -0.12 -1.92 118.68 124.35 3dpt s LEU 833 Ca -0.11 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.39 3dpt s LEU 833 Cb -0.16 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3dpt s LEU 833 CO 0.06 0.12 0.11 -1.59 0.23 0.00 0.00 176.35 175.28 3dpt s LYS 834 N 0.61 4.08 0.43 1.70 0.00 -0.51 -0.53 119.74 125.52 3dpt s LYS 834 Ca -0.10 -0.25 -0.22 0.00 0.00 0.00 0.00 55.97 55.40 3dpt s LYS 834 Cb -0.16 -3.35 -0.10 0.00 0.00 0.00 0.00 37.83 34.22 3dpt s LYS 834 CO 0.03 0.33 0.98 -1.54 0.00 0.00 0.00 175.35 175.15 3dpt s SER 835 N 0.26 6.82 0.20 0.03 1.04 -1.14 -4.73 113.70 116.19 3dpt s SER 835 Ca 0.07 1.80 0.22 0.00 0.48 0.00 0.00 55.95 58.53 3dpt s SER 835 Cb -0.11 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.45 3dpt s SER 835 CO -0.01 -0.44 1.04 0.00 0.98 0.00 0.00 173.24 174.80 3dpt n GLN 836 N -0.52 0.60 -0.05 4.02 10.64 -1.26 -4.54 117.38 126.27 3dpt n GLN 836 Ca 0.07 0.12 -0.07 0.00 -1.83 0.00 0.00 57.00 55.29 3dpt n GLN 836 Cb 0.53 -1.82 -0.06 0.00 -0.86 0.00 0.00 30.24 28.02 3dpt n GLN 836 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3dpt n ASP 837 N -2.67 2.99 -4.38 2.61 8.00 -1.26 -4.82 116.55 117.02 3dpt n ASP 837 Ca -0.00 -0.04 -0.45 0.00 0.71 0.00 0.00 54.79 55.01 3dpt n ASP 837 Cb 0.55 0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3dpt n ASP 837 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3dpt s HIS 838 N -2.23 3.99 0.02 1.24 3.76 -1.26 -5.02 115.29 115.79 3dpt s HIS 838 Ca -0.13 -2.45 -0.39 0.00 -0.15 0.00 0.00 55.06 51.95 3dpt s HIS 838 Cb 0.04 -3.99 -0.20 0.00 1.11 0.00 0.00 32.58 29.54 3dpt s HIS 838 CO 0.30 -1.10 1.01 -0.85 -0.85 0.00 0.00 174.74 173.25 3dpt n GLU 839 N 3.75 0.00 0.00 1.40 0.00 -1.26 -3.36 120.64 121.17 3dpt n GLU 839 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.43 3dpt n GLU 839 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.41 3dpt n GLU 839 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dpt n GLY 840 N 1.54 0.57 2.93 -1.84 0.00 -1.26 -4.85 105.19 102.29 3dpt n GLY 840 Ca 0.20 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 3dpt n GLY 840 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpt n ALA 841 N 7.16 -2.60 -3.62 4.61 0.00 -1.20 -4.45 120.51 120.41 3dpt n ALA 841 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 53.44 53.64 3dpt n ALA 841 Cb 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.00 3dpt n ALA 841 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dpt s LEU 842 N -1.01 2.41 0.17 0.00 2.96 -0.89 -2.86 118.68 119.47 3dpt s LEU 842 Ca -0.04 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 3dpt s LEU 842 Cb 0.00 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3dpt s LEU 842 CO 0.38 0.05 -0.01 0.00 -1.32 0.00 0.00 176.35 175.45 3dpt s ALA 843 N 0.99 3.17 -0.09 5.97 0.00 0.31 -1.50 121.76 130.63 3dpt s ALA 843 Ca -0.02 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 3dpt s ALA 843 Cb -0.15 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3dpt s ALA 843 CO -0.03 0.48 -0.02 0.21 0.00 0.00 0.00 175.76 176.40 3dpt s LYS 844 N -2.92 0.86 -0.19 0.00 2.20 0.13 -0.95 119.74 118.88 3dpt s LYS 844 Ca 0.27 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 3dpt s LYS 844 Cb -0.09 -1.19 -0.01 0.00 -1.51 0.00 0.00 37.83 35.03 3dpt s LYS 844 CO 0.18 -0.31 -0.05 0.08 -0.36 0.00 0.00 175.35 174.89 3dpt s VAL 845 N 1.89 3.44 -0.02 4.02 1.01 -0.73 -1.74 120.40 128.27 3dpt s VAL 845 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3dpt s VAL 845 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3dpt s VAL 845 CO -0.06 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 3dpt s VAL 846 N 1.06 0.76 -0.17 2.92 1.01 -0.06 -1.73 120.40 124.19 3dpt s VAL 846 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 3dpt s VAL 846 Cb -0.15 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3dpt s VAL 846 CO -0.00 0.23 0.15 0.00 0.00 0.00 0.00 175.10 175.49 3dpt s ALA 847 N 0.12 3.73 -0.33 5.51 0.00 0.96 -0.28 121.76 131.48 3dpt s ALA 847 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3dpt s ALA 847 Cb -0.08 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.97 3dpt s ALA 847 CO 0.00 0.28 0.05 -2.00 0.00 0.00 0.00 175.76 174.09 3dpt s GLU 848 N -0.02 2.21 0.10 0.00 2.56 -0.40 -4.85 118.70 118.30 3dpt s GLU 848 Ca 0.11 -1.48 -0.27 0.00 0.00 0.00 0.00 54.97 53.33 3dpt s GLU 848 Cb -0.12 -3.27 -0.12 0.00 2.00 0.00 0.00 34.13 32.62 3dpt s GLU 848 CO 0.00 -0.77 1.66 1.15 -0.56 0.00 0.00 175.26 176.75 3dpt h THR 849 N 6.47 0.56 -0.67 -1.70 2.02 -1.96 -1.75 112.91 115.87 3dpt h THR 849 Ca -0.17 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.11 3dpt h THR 849 Cb 1.05 0.56 -0.12 0.00 -1.74 0.00 0.00 68.15 67.90 3dpt h THR 849 CO 0.57 0.00 -0.41 0.11 0.37 0.00 0.00 175.52 176.16 3dpt h LYS 850 N -0.45 -0.16 -0.92 6.66 1.57 -1.97 0.16 116.57 121.45 3dpt h LYS 850 Ca -0.01 0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 3dpt h LYS 850 Cb 0.42 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 32.55 3dpt h LYS 850 CO -0.03 -0.10 0.44 -0.40 -0.57 0.00 0.00 179.45 178.78 3dpt n ASP 851 N -5.41 3.95 -3.03 0.86 5.75 -1.22 -4.96 116.55 112.48 3dpt n ASP 851 Ca 0.04 -3.25 -0.07 0.00 -0.01 0.00 0.00 54.79 51.50 3dpt n ASP 851 Cb 0.35 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3dpt n ASP 851 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dpt n SER 852 N -0.59 -1.09 -4.11 -1.12 3.41 0.56 -4.77 113.62 105.92 3dpt n SER 852 Ca 0.45 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.66 3dpt n SER 852 Cb 1.41 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 3dpt n SER 852 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dpt s THR 853 N -2.78 0.75 -0.14 6.66 -1.32 -0.77 -1.51 115.64 116.54 3dpt s THR 853 Ca 0.03 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 3dpt s THR 853 Cb -0.01 -0.83 0.02 0.00 -1.51 0.00 0.00 72.50 70.17 3dpt s THR 853 CO 0.22 -0.35 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.51 3dpt s ILE 854 N -1.46 1.48 -0.15 5.08 1.01 0.23 -1.27 121.20 126.11 3dpt s ILE 854 Ca -0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3dpt s ILE 854 Cb -0.09 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 3dpt s ILE 854 CO 0.01 0.44 -0.11 -0.89 0.00 0.00 0.00 174.94 174.39 3dpt s THR 855 N 1.51 3.16 -0.23 2.92 2.01 0.62 -0.61 115.64 125.02 3dpt s THR 855 Ca 0.05 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 3dpt s THR 855 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3dpt s THR 855 CO -0.10 0.51 0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 3dpt s ILE 856 N 0.56 4.39 -0.09 1.82 1.01 0.02 -0.88 121.20 128.02 3dpt s ILE 856 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3dpt s ILE 856 Cb -0.15 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.30 3dpt s ILE 856 CO 0.03 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.18 3dpt s ALA 857 N 1.24 1.69 0.03 9.38 0.00 -0.71 -0.83 121.76 132.56 3dpt s ALA 857 Ca 0.05 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3dpt s ALA 857 Cb -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3dpt s ALA 857 CO 0.03 0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.16 3dpt s ILE 858 N 0.68 1.19 0.08 0.00 1.01 0.11 -0.69 121.20 123.59 3dpt s ILE 858 Ca -0.13 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.62 3dpt s ILE 858 Cb -0.16 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3dpt s ILE 858 CO 0.03 0.07 -0.18 0.00 0.00 0.00 0.00 174.94 174.87 3dpt s GLN 859 N -1.03 1.03 0.00 2.79 -2.07 -0.56 -0.17 119.66 119.65 3dpt s GLN 859 Ca 0.03 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 52.53 3dpt s GLN 859 Cb -0.08 -1.18 0.00 0.00 -1.09 0.00 0.00 33.01 30.66 3dpt s GLN 859 CO 0.01 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 3dpt n GLY 860 N 1.28 1.20 3.62 2.60 0.00 -1.26 -2.09 105.19 110.53 3dpt n GLY 860 Ca -0.20 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 3dpt n GLY 860 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpt n GLU 861 N -1.96 0.45 -0.07 1.61 -0.58 -1.26 -4.67 120.64 114.16 3dpt n GLU 861 Ca 0.00 0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 3dpt n GLU 861 Cb 0.00 -2.24 -0.03 0.00 -0.57 0.00 0.00 31.44 28.60 3dpt n GLU 861 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3dpt h PRO 862 N -0.36 0.37 -0.83 3.49 0.11 -1.99 -2.27 132.00 130.52 3dpt h PRO 862 Ca -0.47 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 65.70 3dpt h PRO 862 Cb 1.33 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 3dpt h PRO 862 CO 0.46 0.40 0.45 0.00 -0.21 0.00 0.00 178.00 179.10 3dpt h ARG 863 N 0.25 0.66 0.19 1.05 -0.00 -1.99 -2.63 114.38 111.91 3dpt h ARG 863 Ca 0.08 -0.04 0.01 0.00 -0.50 0.00 0.00 59.98 59.53 3dpt h ARG 863 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 29.96 3dpt h ARG 863 CO -0.01 0.44 -0.26 0.00 0.00 0.00 0.00 179.97 180.14 3dpt h LYS 865 N -0.51 0.70 -0.28 0.00 1.57 -1.18 -1.23 116.57 115.62 3dpt h LYS 865 Ca 0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3dpt h LYS 865 Cb 0.51 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3dpt h LYS 865 CO -0.10 0.60 0.09 -0.09 -0.57 0.00 0.00 179.45 179.38 3dpt h ARG 866 N 0.69 0.44 -0.21 3.15 2.43 -1.39 -2.18 114.38 117.30 3dpt h ARG 866 Ca 0.16 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3dpt h ARG 866 Cb 0.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3dpt h ARG 866 CO -0.01 0.49 -0.42 0.93 -1.51 0.00 0.00 179.97 179.45 3dpt h GLU 867 N 0.30 0.50 -0.08 0.20 5.08 -0.30 -2.43 114.58 117.85 3dpt h GLU 867 Ca 0.09 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 3dpt h GLU 867 Cb 0.23 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3dpt h GLU 867 CO -0.00 0.83 -0.62 -0.92 -1.00 0.00 0.00 179.01 177.29 3dpt h TYR 868 N 0.41 0.77 -0.58 4.33 3.20 -1.27 -2.87 116.97 120.96 3dpt h TYR 868 Ca 0.03 -0.37 0.12 0.00 3.14 0.00 0.00 58.73 61.66 3dpt h TYR 868 Cb 0.90 -0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.96 3dpt h TYR 868 CO 0.03 1.17 -0.07 1.25 -1.64 0.00 0.00 178.16 178.90 3dpt h LEU 869 N 0.16 -0.39 -0.45 2.82 5.85 -1.37 0.18 115.31 122.11 3dpt h LEU 869 Ca -0.06 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3dpt h LEU 869 Cb 1.28 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 42.52 3dpt h LEU 869 CO 0.13 -0.15 -0.18 -1.28 -0.34 0.00 0.00 178.44 176.62 3dpt h SER 870 N 0.06 -0.63 -0.05 1.25 0.87 -1.40 0.96 113.55 114.62 3dpt h SER 870 Ca 0.29 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3dpt h SER 870 Cb 0.46 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3dpt h SER 870 CO -0.54 -0.21 0.03 0.40 -0.53 0.00 0.00 176.83 175.97 3dpt h ILE 871 N -0.09 1.08 -0.54 2.23 2.04 -0.90 -2.03 117.51 119.31 3dpt h ILE 871 Ca 0.22 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3dpt h ILE 871 Cb 0.42 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3dpt h ILE 871 CO -0.51 0.07 0.20 0.40 0.00 0.00 0.00 178.15 178.31 3dpt h ILE 872 N -0.01 1.23 -0.67 -0.67 2.04 -0.36 -1.66 117.51 117.39 3dpt h ILE 872 Ca 0.02 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3dpt h ILE 872 Cb 0.09 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3dpt h ILE 872 CO -0.00 0.28 0.33 -0.25 0.00 0.00 0.00 178.15 178.50 3dpt h TRP 873 N 0.74 0.96 -0.57 1.37 7.01 -0.79 -1.54 115.95 123.13 3dpt h TRP 873 Ca 0.18 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3dpt h TRP 873 Cb 0.23 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 3dpt h TRP 873 CO 0.01 0.72 0.33 -0.92 -2.79 0.00 0.00 178.44 175.79 3dpt h TYR 874 N 0.93 0.62 -0.76 2.65 3.20 -1.10 -0.18 116.97 122.33 3dpt h TYR 874 Ca 0.23 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 3dpt h TYR 874 Cb 0.11 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3dpt h TYR 874 CO 0.00 0.34 0.32 0.93 -1.64 0.00 0.00 178.16 178.11 3dpt h GLU 875 N 0.65 1.12 -0.19 1.82 4.39 -0.78 -2.11 114.58 119.47 3dpt h GLU 875 Ca 0.23 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3dpt h GLU 875 Cb 0.05 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3dpt h GLU 875 CO -0.11 0.90 -0.49 0.82 -1.16 0.00 0.00 179.01 178.96 3dpt h ILE 876 N 1.10 1.32 -0.48 3.13 2.04 -0.85 -2.90 117.51 120.86 3dpt h ILE 876 Ca 0.26 -1.72 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 3dpt h ILE 876 Cb 0.18 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3dpt h ILE 876 CO -0.02 0.53 0.03 0.11 0.00 0.00 0.00 178.15 178.80 3dpt h LYS 877 N 0.41 0.77 0.18 2.37 1.57 -0.72 -0.17 116.57 120.99 3dpt h LYS 877 Ca 0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3dpt h LYS 877 Cb 1.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3dpt h LYS 877 CO 0.09 0.76 -0.09 0.87 -0.57 0.00 0.00 179.45 180.51 3dpt h LYS 878 N 0.73 -0.23 -0.73 3.15 1.57 -1.30 -1.18 116.57 118.58 3dpt h LYS 878 Ca 0.15 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3dpt h LYS 878 Cb 0.40 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3dpt h LYS 878 CO 0.01 -0.12 0.42 0.82 -0.57 0.00 0.00 179.45 180.01 3dpt h ILE 879 N -0.28 0.99 -0.52 1.86 2.04 -1.31 -2.43 117.51 117.87 3dpt h ILE 879 Ca -0.02 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3dpt h ILE 879 Cb 0.22 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3dpt h ILE 879 CO 0.04 0.14 0.24 0.78 0.00 0.00 0.00 178.15 179.35 3dpt h ASN 880 N 0.78 0.66 0.14 1.72 -0.26 -0.77 -2.63 115.58 115.21 3dpt h ASN 880 Ca 0.32 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3dpt h ASN 880 Cb 0.18 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3dpt h ASN 880 CO -0.18 0.57 0.00 0.00 -1.06 0.00 0.00 177.43 176.76 3dpt n ALA 881 N -2.46 1.19 0.87 -0.83 0.00 -0.47 -1.35 120.51 117.46 3dpt n ALA 881 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3dpt n ALA 881 Cb 0.13 -1.06 0.46 0.00 0.00 0.00 0.00 19.45 18.98 3dpt n ALA 881 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dpt n ASN 882 N -1.50 0.35 -4.67 0.00 3.02 -0.99 -4.85 115.26 106.63 3dpt n ASN 882 Ca 0.01 0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 3dpt n ASN 882 Cb 0.05 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 3dpt n ASN 882 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dpt s PHE 883 N -3.04 3.16 -0.00 3.10 0.08 -0.45 -5.07 117.98 115.75 3dpt s PHE 883 Ca 0.12 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.31 3dpt s PHE 883 Cb 0.17 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3dpt s PHE 883 CO 0.59 0.43 0.47 1.15 -0.10 0.00 0.00 175.22 177.76 3dpt h THR 884 N 4.25 0.00 -1.95 0.64 2.02 -1.88 -3.37 112.91 112.61 3dpt h THR 884 Ca -0.49 -0.07 -0.75 0.00 0.77 0.00 0.00 66.41 65.87 3dpt h THR 884 Cb 1.19 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 67.32 3dpt h THR 884 CO 0.56 0.00 0.88 0.59 0.37 0.00 0.00 175.52 177.91 3dpt n ASN 885 N -2.40 7.23 -4.70 4.18 4.13 -1.26 -4.98 115.26 117.47 3dpt n ASN 885 Ca -0.01 -3.83 -0.40 0.00 1.68 0.00 0.00 54.58 52.02 3dpt n ASN 885 Cb 0.03 -1.00 -0.04 0.00 -1.54 0.00 0.00 39.78 37.22 3dpt n ASN 885 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dpt s LEU 886 N -4.02 4.28 -0.47 3.41 1.43 -1.26 -4.94 118.68 117.11 3dpt s LEU 886 Ca 0.51 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3dpt s LEU 886 Cb 0.43 -3.15 0.12 0.00 0.03 0.00 0.00 46.19 43.63 3dpt s LEU 886 CO -0.39 -0.20 0.27 -0.62 0.23 0.00 0.00 176.35 175.64 3dpt s ASP 887 N 0.92 5.23 -0.16 2.29 -1.08 -1.26 -5.04 116.67 117.56 3dpt s ASP 887 Ca 0.39 -2.28 -0.05 0.00 -0.52 0.00 0.00 52.55 50.09 3dpt s ASP 887 Cb -0.18 -1.83 -0.03 0.00 -1.46 0.00 0.00 42.92 39.42 3dpt s ASP 887 CO 0.17 -0.49 -0.01 0.68 0.52 0.00 0.00 175.17 176.04 3dpt s VAL 888 N 0.78 4.12 -0.08 1.11 -7.23 -1.26 -2.00 120.40 115.84 3dpt s VAL 888 Ca 0.11 -0.28 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 3dpt s VAL 888 Cb -0.22 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 3dpt s VAL 888 CO -0.04 0.49 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.53 3dpt s LYS 889 N 0.32 2.82 -0.16 4.82 1.02 -0.84 -4.98 119.74 122.74 3dpt s LYS 889 Ca -0.02 -0.76 -0.09 0.00 0.02 0.00 0.00 55.97 55.12 3dpt s LYS 889 Cb -0.14 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 3dpt s LYS 889 CO 0.02 0.41 0.15 -1.21 -0.92 0.00 0.00 175.35 173.81 3dpt s GLU 890 N -0.19 3.93 0.07 1.68 8.01 -1.26 -1.36 118.70 129.58 3dpt s GLU 890 Ca -0.01 -0.15 0.09 0.00 0.01 0.00 0.00 54.97 54.91 3dpt s GLU 890 Cb -0.13 -3.34 -0.03 0.00 -4.31 0.00 0.00 34.13 26.32 3dpt s GLU 890 CO 0.03 0.47 -0.24 -0.06 0.01 0.00 0.00 175.26 175.48 3dpt s PHE 891 N -0.15 2.06 -0.03 1.61 0.40 0.35 0.21 117.98 122.42 3dpt s PHE 891 Ca 0.12 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3dpt s PHE 891 Cb -0.12 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 3dpt s PHE 891 CO 0.01 0.17 -0.25 0.42 0.70 0.00 0.00 175.22 176.27 3dpt s ILE 892 N -0.92 2.02 0.57 0.64 1.01 -0.09 -1.63 121.20 122.80 3dpt s ILE 892 Ca 0.10 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 3dpt s ILE 892 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3dpt s ILE 892 CO 0.03 0.57 1.15 -2.16 0.00 0.00 0.00 174.94 174.53 3dpt s PRO 893 N -0.49 3.17 0.13 2.79 0.04 -1.26 -0.91 135.00 138.47 3dpt s PRO 893 Ca 0.06 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 3dpt s PRO 893 Cb -0.11 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3dpt s PRO 893 CO 0.00 -1.01 0.98 -0.51 0.04 0.00 0.00 177.00 176.50 3dpt s LEU 894 N -4.00 4.51 0.25 -3.56 1.02 0.09 -4.87 118.68 112.12 3dpt s LEU 894 Ca 0.74 1.85 -0.31 0.00 0.02 0.00 0.00 54.13 56.43 3dpt s LEU 894 Cb -0.26 -3.59 -0.13 0.00 0.02 0.00 0.00 46.19 42.24 3dpt s LEU 894 CO 0.30 -0.07 1.53 -2.65 0.02 0.00 0.00 176.35 175.49 3dpt n PRO 895 N 2.62 2.38 -0.97 1.29 -0.02 -1.26 -1.32 135.00 137.72 3dpt n PRO 895 Ca 0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3dpt n PRO 895 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3dpt n PRO 895 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dpt n GLY 896 N 2.50 0.59 2.48 -1.23 0.00 -1.26 -4.93 105.19 103.34 3dpt n GLY 896 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3dpt n GLY 896 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dpt n HIS 897 N -2.51 -1.78 0.33 1.61 8.25 -0.43 -5.00 115.22 115.69 3dpt n HIS 897 Ca 0.00 -2.73 0.21 0.00 -0.26 0.00 0.00 57.72 54.95 3dpt n HIS 897 Cb 0.05 0.58 1.13 0.00 1.12 0.00 0.00 29.99 32.86 3dpt n HIS 897 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3dpt h PRO 898 N 5.01 0.00 0.00 -0.41 0.11 -1.92 -1.42 132.00 133.37 3dpt h PRO 898 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3dpt h PRO 898 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3dpt h PRO 898 CO 0.30 0.00 -0.54 -0.25 -0.21 0.00 0.00 178.00 177.29 3dpt n ASP 899 N -3.17 0.63 -4.48 -2.05 8.00 -1.26 -4.81 116.55 109.41 3dpt n ASP 899 Ca -0.03 0.09 -0.39 0.00 0.71 0.00 0.00 54.79 55.17 3dpt n ASP 899 Cb 0.10 0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 3dpt n ASP 899 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dpt s GLU 900 N -3.12 3.40 0.06 -1.24 0.41 -0.54 -5.05 118.70 112.62 3dpt s GLU 900 Ca 0.08 -0.69 0.02 0.00 -0.41 0.00 0.00 54.97 53.96 3dpt s GLU 900 Cb 0.14 -3.68 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 3dpt s GLU 900 CO 0.70 -0.44 0.12 -0.51 -0.49 0.00 0.00 175.26 174.65 3dpt s LEU 901 N 1.66 3.99 -0.04 1.80 1.02 -1.26 -0.73 118.68 125.12 3dpt s LEU 901 Ca 0.05 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.32 3dpt s LEU 901 Cb -0.17 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.46 3dpt s LEU 901 CO 0.08 0.19 -0.08 0.54 0.02 0.00 0.00 176.35 177.10 3dpt s VAL 902 N -1.39 0.79 0.20 -1.59 0.11 -0.09 -4.92 120.40 113.50 3dpt s VAL 902 Ca 0.30 -0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 3dpt s VAL 902 Cb -0.12 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 33.88 3dpt s VAL 902 CO 0.22 0.27 1.54 -0.70 -3.33 0.00 0.00 175.10 173.10 3dpt s GLU 903 N 0.59 4.22 0.32 1.54 2.12 -1.26 -0.91 118.70 125.32 3dpt s GLU 903 Ca -0.10 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.60 3dpt s GLU 903 Cb -0.13 -3.13 0.53 0.00 0.26 0.00 0.00 34.13 31.66 3dpt s GLU 903 CO 0.01 -0.56 1.95 -0.92 -0.54 0.00 0.00 175.26 175.20 3dpt h TYR 904 N 6.19 0.86 0.00 5.30 3.20 -0.57 -1.39 116.97 130.56 3dpt h TYR 904 Ca -0.44 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 3dpt h TYR 904 Cb 1.21 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 3dpt h TYR 904 CO 0.63 0.59 -0.06 0.87 -1.64 0.00 0.00 178.16 178.55 3dpt h LYS 905 N 0.89 0.00 0.08 1.82 6.56 -1.91 -2.52 116.57 121.49 3dpt h LYS 905 Ca 0.23 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3dpt h LYS 905 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 3dpt h LYS 905 CO -0.04 0.06 -0.04 0.93 -2.06 0.00 0.00 179.45 178.31 3dpt h GLU 906 N 0.00 -0.10 -0.53 3.15 4.39 -1.62 -2.37 114.58 117.50 3dpt h GLU 906 Ca -0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3dpt h GLU 906 Cb 0.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3dpt h GLU 906 CO 0.01 0.18 0.20 -0.07 -1.16 0.00 0.00 179.01 178.17 3dpt h LEU 907 N -0.39 0.69 -0.12 1.33 3.38 -1.39 -0.55 115.31 118.26 3dpt h LEU 907 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dpt h LEU 907 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dpt h LEU 907 CO 0.02 0.63 0.07 -0.07 0.09 0.00 0.00 178.44 179.19 3dpt h LEU 908 N 0.75 0.12 -0.68 1.67 3.38 -1.49 -2.17 115.31 116.90 3dpt h LEU 908 Ca 0.18 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3dpt h LEU 908 Cb 0.16 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3dpt h LEU 908 CO -0.02 0.09 0.33 1.23 0.09 0.00 0.00 178.44 180.16 3dpt h GLY 909 N 0.15 1.01 1.96 0.83 0.00 -0.69 -1.04 103.07 105.29 3dpt h GLY 909 Ca 0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3dpt h GLY 909 CO -0.02 0.05 -0.35 1.41 0.00 0.00 0.00 176.54 177.63 3dpt h LEU 910 N 0.56 0.05 -0.06 3.11 3.38 -1.01 -1.16 115.31 120.18 3dpt h LEU 910 Ca 0.34 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 3dpt h LEU 910 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dpt h LEU 910 CO -0.27 0.40 -0.27 -0.08 0.09 0.00 0.00 178.44 178.31 3dpt h GLU 911 N 0.04 0.28 -0.28 1.13 4.81 -0.67 0.26 114.58 120.15 3dpt h GLU 911 Ca 0.00 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3dpt h GLU 911 Cb 0.64 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3dpt h GLU 911 CO 0.05 0.87 0.19 0.87 -0.73 0.00 0.00 179.01 180.27 3dpt h LYS 912 N -0.25 0.16 0.00 1.92 1.57 -1.09 0.86 116.57 119.75 3dpt h LYS 912 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3dpt h LYS 912 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3dpt h LYS 912 CO 0.06 0.10 0.00 0.52 -0.57 0.00 0.00 179.45 179.56 3dpt h MET 913 N 0.16 0.00 -2.93 3.15 2.86 -1.07 -3.47 114.93 113.64 3dpt h MET 913 Ca 0.13 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 3dpt h MET 913 Cb 0.30 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.01 3dpt h MET 913 CO -0.02 0.00 -0.25 0.41 1.06 0.00 0.00 176.91 178.11 3dpt n GLY 914 N 0.54 0.33 3.24 8.32 0.00 0.30 -5.05 105.19 112.86 3dpt n GLY 914 Ca 0.03 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3dpt n GLY 914 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpt s ARG 915 N -5.11 3.18 0.00 1.61 0.52 0.86 -5.00 118.95 115.01 3dpt s ARG 915 Ca 0.13 -0.76 0.25 0.00 -0.52 0.00 0.00 55.73 54.84 3dpt s ARG 915 Cb -0.06 -2.64 0.54 0.00 0.52 0.00 0.00 34.95 33.30 3dpt s ARG 915 CO 0.26 -0.05 1.43 -3.47 0.02 0.00 0.00 175.30 173.49 3dpt n ASP 916 N 4.24 0.77 -4.62 0.23 2.03 -1.26 -4.22 116.55 113.72 3dpt n ASP 916 Ca -0.19 -0.57 -0.34 0.00 0.52 0.00 0.00 54.79 54.20 3dpt n ASP 916 Cb 0.51 0.26 -0.10 0.00 -0.72 0.00 0.00 41.12 41.07 3dpt n ASP 916 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3dpt s GLU 917 N -2.80 3.21 -0.30 -0.67 -1.05 -1.26 0.65 118.70 116.47 3dpt s GLU 917 Ca 0.16 -0.45 -0.08 0.00 -0.15 0.00 0.00 54.97 54.45 3dpt s GLU 917 Cb 0.18 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 3dpt s GLU 917 CO 0.64 0.54 0.11 -0.47 0.95 0.00 0.00 175.26 177.03 3dpt s TYR 918 N -0.45 3.16 -0.29 4.83 5.04 0.88 -4.81 117.35 125.71 3dpt s TYR 918 Ca 0.08 -0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 53.75 3dpt s TYR 918 Cb -0.12 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 3dpt s TYR 918 CO 0.02 -0.52 0.38 0.08 -1.34 0.00 0.00 175.55 174.17 3dpt s VAL 919 N 1.55 5.16 -0.56 3.14 1.01 -1.26 -0.99 120.40 128.46 3dpt s VAL 919 Ca 0.03 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 3dpt s VAL 919 Cb -0.17 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.57 3dpt s VAL 919 CO 0.04 0.08 0.61 -0.55 0.00 0.00 0.00 175.10 175.29 3dpt s SER 920 N 1.67 6.19 0.12 3.32 0.15 -0.31 -4.93 113.70 119.90 3dpt s SER 920 Ca 0.15 -1.46 -0.23 0.00 0.70 0.00 0.00 55.95 55.11 3dpt s SER 920 Cb -0.16 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3dpt s SER 920 CO 0.11 -0.98 1.68 1.23 1.20 0.00 0.00 173.24 176.48 3dpt h GLY 921 N 9.55 -0.11 1.27 9.45 0.00 -1.96 0.10 103.07 121.37 3dpt h GLY 921 Ca -0.29 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3dpt h GLY 921 CO 1.05 -0.12 0.44 1.70 0.00 0.00 0.00 176.54 179.60 3dpt h LYS 922 N -0.18 0.79 -0.00 4.80 3.64 -1.96 -2.43 116.57 121.23 3dpt h LYS 922 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dpt h LYS 922 Cb 0.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3dpt h LYS 922 CO -0.15 0.52 -0.66 1.28 -2.27 0.00 0.00 179.45 178.17 3dpt n LEU 923 N -4.45 0.67 -3.66 5.20 4.77 -1.13 -4.98 117.00 113.41 3dpt n LEU 923 Ca 0.08 -0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.68 3dpt n LEU 923 Cb 0.11 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3dpt n LEU 923 CO 0.35 0.17 0.02 -0.62 -1.33 0.00 0.00 177.39 175.98 3dpt n GLU 924 N -1.49 -5.62 -3.93 3.23 1.02 0.32 -5.00 120.64 109.17 3dpt n GLU 924 Ca 0.05 0.69 -0.09 0.00 -0.02 0.00 0.00 57.16 57.79 3dpt n GLU 924 Cb 0.33 -5.43 -0.09 0.00 -0.02 0.00 0.00 31.44 26.23 3dpt n GLU 924 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dpt s LYS 925 N -5.95 0.65 -0.06 3.49 1.02 -1.02 -5.05 119.74 112.82 3dpt s LYS 925 Ca 0.14 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.29 3dpt s LYS 925 Cb -0.07 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.51 3dpt s LYS 925 CO 0.79 -0.17 -0.11 0.54 -0.92 0.00 0.00 175.35 175.47 3dpt s VAL 926 N -3.07 1.08 0.28 3.17 0.11 -1.26 -1.16 120.40 119.55 3dpt s VAL 926 Ca -0.01 -0.45 0.10 0.00 -2.93 0.00 0.00 61.98 58.69 3dpt s VAL 926 Cb 0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3dpt s VAL 926 CO -0.07 0.34 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.66 3dpt s PHE 927 N 0.70 2.60 -0.12 1.54 0.40 -0.16 -4.96 117.98 117.99 3dpt s PHE 927 Ca -0.14 -0.28 -0.22 0.00 -0.60 0.00 0.00 56.93 55.69 3dpt s PHE 927 Cb -0.16 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 3dpt s PHE 927 CO 0.03 0.60 0.65 0.45 0.70 0.00 0.00 175.22 177.65 3dpt s SER 928 N -3.66 6.85 0.01 1.36 0.15 -1.26 -0.09 113.70 117.06 3dpt s SER 928 Ca 0.32 1.03 -0.25 0.00 0.70 0.00 0.00 55.95 57.75 3dpt s SER 928 Cb -0.05 -2.38 -0.18 0.00 -1.71 0.00 0.00 66.02 61.70 3dpt s SER 928 CO 0.19 -0.16 1.40 0.58 1.20 0.00 0.00 173.24 176.44 3dpt h VAL 929 N 4.90 1.18 -0.16 4.45 2.07 -0.08 -2.64 116.25 125.97 3dpt h VAL 929 Ca -0.37 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3dpt h VAL 929 Cb 1.17 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 3dpt h VAL 929 CO 0.77 0.19 -0.06 0.28 0.02 0.00 0.00 177.57 178.77 3dpt h SER 930 N -0.39 -0.20 0.01 0.57 0.02 -1.89 -1.81 113.55 109.86 3dpt h SER 930 Ca -0.01 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3dpt h SER 930 Cb 0.35 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3dpt h SER 930 CO 0.01 -0.08 -0.37 0.11 -1.14 0.00 0.00 176.83 175.36 3dpt h LYS 931 N -0.03 0.48 -0.26 3.45 1.57 -1.92 0.15 116.57 120.01 3dpt h LYS 931 Ca 0.08 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 3dpt h LYS 931 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3dpt h LYS 931 CO -0.18 0.78 -0.41 0.52 -0.57 0.00 0.00 179.45 179.59 3dpt h MET 932 N 0.40 0.73 -0.36 3.15 2.86 -1.42 -2.82 114.93 117.48 3dpt h MET 932 Ca 0.04 -0.44 0.04 0.00 -2.06 0.00 0.00 59.70 57.28 3dpt h MET 932 Cb 0.83 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 3dpt h MET 932 CO 0.07 1.07 0.12 -0.07 1.06 0.00 0.00 176.91 179.15 3dpt h LEU 933 N 0.46 0.11 -2.30 1.22 3.38 -0.96 -2.95 115.31 114.28 3dpt h LEU 933 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3dpt h LEU 933 Cb 1.01 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dpt h LEU 933 CO 0.09 0.10 -0.04 0.44 0.09 0.00 0.00 178.44 179.12 3dpt h ASP 934 N 0.26 0.00 0.77 -0.43 3.32 -0.60 0.25 116.42 120.00 3dpt h ASP 934 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dpt h ASP 934 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dpt h ASP 934 CO -0.18 0.04 0.00 -1.54 -1.72 0.00 0.00 179.24 175.85 3dpt n SER 935 N -3.69 0.00 -0.03 6.45 3.41 -1.07 -3.97 113.62 114.72 3dpt n SER 935 Ca -0.02 0.23 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 3dpt n SER 935 Cb 0.14 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3dpt n SER 935 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3dpt n VAL 936 N -1.41 0.38 0.00 -3.33 0.31 -0.08 -4.76 118.33 109.43 3dpt n VAL 936 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3dpt n VAL 936 Cb 0.28 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3dpt n VAL 936 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3dpt n ILE 937 N -2.59 0.00 -1.40 2.52 2.08 -0.28 -4.83 119.36 114.86 3dpt n ILE 937 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 3dpt n ILE 937 Cb 0.64 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 3dpt n ILE 937 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87