#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpt h PRO 630 N 0.00 1.26 -0.17 0.00 0.13 -2.00 -1.82 132.00 129.41 3dpt h PRO 630 Ca 0.00 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 3dpt h PRO 630 Cb 0.00 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 30.84 3dpt h PRO 630 CO 0.00 0.83 -0.12 0.66 -0.23 0.00 0.00 178.00 179.14 3dpt h SER 631 N 1.30 0.40 -0.55 1.44 4.64 -2.01 -3.01 113.55 115.76 3dpt h SER 631 Ca 0.38 -0.45 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3dpt h SER 631 Cb -0.08 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 3dpt h SER 631 CO -0.10 0.76 0.35 -0.50 -0.87 0.00 0.00 176.83 176.48 3dpt h TRP 632 N 0.03 0.67 -0.23 4.77 4.06 -1.86 -1.97 115.95 121.42 3dpt h TRP 632 Ca 0.03 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3dpt h TRP 632 Cb 0.64 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 3dpt h TRP 632 CO 0.08 0.41 0.07 0.82 -3.56 0.00 0.00 178.44 176.26 3dpt h ILE 633 N 0.72 0.93 0.76 1.49 5.03 -1.38 -2.33 117.51 122.73 3dpt h ILE 633 Ca 0.21 -0.06 -0.04 0.00 -0.12 0.00 0.00 64.86 64.85 3dpt h ILE 633 Cb -0.05 0.74 0.01 0.00 -3.03 0.00 0.00 36.82 34.49 3dpt h ILE 633 CO -0.06 0.03 -0.37 0.07 -0.68 0.00 0.00 178.15 177.15 3dpt h LYS 634 N 0.17 -0.98 -0.76 2.37 2.10 -1.37 -2.84 116.57 115.26 3dpt h LYS 634 Ca 0.10 0.07 0.17 0.00 -2.00 0.00 0.00 60.65 58.99 3dpt h LYS 634 Cb 0.08 0.22 -0.13 0.00 -0.90 0.00 0.00 32.23 31.50 3dpt h LYS 634 CO -0.11 -0.65 0.05 0.28 -2.00 0.00 0.00 179.45 177.02 3dpt h VAL 635 N -1.07 0.37 -0.16 0.07 2.07 -1.33 0.99 116.25 117.20 3dpt h VAL 635 Ca -0.10 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3dpt h VAL 635 Cb 0.79 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3dpt h VAL 635 CO 0.17 0.02 -0.50 0.50 0.02 0.00 0.00 177.57 177.79 3dpt h LYS 636 N 0.14 -0.49 -0.28 1.57 3.64 -1.36 0.67 116.57 120.44 3dpt h LYS 636 Ca 0.42 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.89 3dpt h LYS 636 Cb 0.75 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 3dpt h LYS 636 CO -0.63 -0.33 -0.10 0.93 -2.27 0.00 0.00 179.45 177.05 3dpt h GLU 637 N -0.51 -0.04 -0.51 1.90 3.07 -0.87 0.14 114.58 117.75 3dpt h GLU 637 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3dpt h GLU 637 Cb 0.61 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 3dpt h GLU 637 CO -0.42 -0.03 0.34 1.57 -1.40 0.00 0.00 179.01 179.07 3dpt h LYS 638 N -0.05 0.68 -0.24 2.33 2.10 -0.43 -0.34 116.57 120.63 3dpt h LYS 638 Ca 0.14 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.60 3dpt h LYS 638 Cb 0.26 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3dpt h LYS 638 CO -0.32 0.45 -0.42 1.37 -2.00 0.00 0.00 179.45 178.53 3dpt h LEU 639 N 0.70 0.79 -0.27 7.07 -0.00 0.74 -0.21 115.31 124.13 3dpt h LEU 639 Ca 0.19 -0.53 0.02 0.00 -0.00 0.00 0.00 57.88 57.56 3dpt h LEU 639 Cb -0.08 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.33 3dpt h LEU 639 CO -0.04 1.17 0.11 0.58 -0.00 0.00 0.00 178.44 180.26 3dpt h VAL 640 N 0.44 0.97 -0.24 0.15 2.07 -0.61 0.21 116.25 119.23 3dpt h VAL 640 Ca 0.02 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3dpt h VAL 640 Cb 1.02 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3dpt h VAL 640 CO 0.10 0.05 0.13 -0.33 0.02 0.00 0.00 177.57 177.53 3dpt h GLU 641 N 0.25 0.26 -0.23 1.57 3.07 -1.00 -2.29 114.58 116.20 3dpt h GLU 641 Ca 0.11 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 3dpt h GLU 641 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3dpt h GLU 641 CO -0.09 0.17 -0.18 0.00 -1.40 0.00 0.00 179.01 177.51 3dpt h ALA 642 N 1.12 1.26 -0.07 3.43 0.00 -0.74 -1.54 119.26 122.73 3dpt h ALA 642 Ca 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3dpt h ALA 642 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dpt h ALA 642 CO -0.06 0.48 -0.54 1.79 0.00 0.00 0.00 179.25 180.93 3dpt h THR 643 N 0.37 1.37 0.00 0.00 1.35 -0.39 -2.42 112.91 113.19 3dpt h THR 643 Ca 0.07 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3dpt h THR 643 Cb 0.53 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3dpt h THR 643 CO 0.03 0.54 -0.60 0.71 -0.25 0.00 0.00 175.52 175.95 3dpt h THR 644 N 0.16 0.00 0.03 6.82 1.35 -1.15 -3.33 112.91 116.78 3dpt h THR 644 Ca 0.00 -0.72 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3dpt h THR 644 Cb 1.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3dpt h THR 644 CO 0.08 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.34 3dpt h ALA 645 N 2.28 -0.19 -3.39 6.62 0.00 -1.22 -3.45 119.26 119.91 3dpt h ALA 645 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3dpt h ALA 645 Cb 0.86 0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.78 3dpt h ALA 645 CO 0.00 -0.18 0.17 1.04 0.00 0.00 0.00 179.25 180.27 3dpt n GLN 646 N -2.42 -1.53 -0.03 0.00 6.02 -0.92 -5.00 117.38 113.50 3dpt n GLN 646 Ca -0.00 -1.17 -0.07 0.00 -0.01 0.00 0.00 57.00 55.74 3dpt n GLN 646 Cb 0.01 -0.92 -0.14 0.00 1.02 0.00 0.00 30.24 30.22 3dpt n GLN 646 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dpt n ARG 647 N -3.12 0.64 -3.83 -1.09 1.74 -1.25 -4.61 116.66 105.14 3dpt n ARG 647 Ca 0.10 0.24 -0.06 0.00 -0.77 0.00 0.00 57.85 57.36 3dpt n ARG 647 Cb 0.36 -1.75 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3dpt n ARG 647 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3dpt s TYR 648 N -2.63 0.01 0.17 -1.55 -0.85 -1.26 -2.41 117.35 108.83 3dpt s TYR 648 Ca -0.05 -0.50 0.03 0.00 -0.52 0.00 0.00 57.07 56.02 3dpt s TYR 648 Cb 0.08 0.74 -0.05 0.00 0.38 0.00 0.00 41.96 43.11 3dpt s TYR 648 CO 0.82 -1.18 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.13 3dpt s LEU 649 N -3.13 2.27 0.15 -3.49 1.43 -0.46 -4.94 118.68 110.51 3dpt s LEU 649 Ca 0.16 -1.13 0.07 0.00 -1.03 0.00 0.00 54.13 52.21 3dpt s LEU 649 Cb -0.04 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 3dpt s LEU 649 CO 0.07 -0.49 -0.01 0.54 0.23 0.00 0.00 176.35 176.69 3dpt s ASN 650 N -3.18 4.78 0.15 2.29 2.20 -1.26 -0.18 114.94 119.74 3dpt s ASN 650 Ca 0.22 -0.35 -0.07 0.00 -0.94 0.00 0.00 52.86 51.71 3dpt s ASN 650 Cb 0.05 -1.03 0.20 0.00 -2.00 0.00 0.00 41.25 38.47 3dpt s ASN 650 CO 0.03 0.12 0.89 0.54 -2.94 0.00 0.00 177.10 175.74 3dpt n ARG 651 N 0.10 -0.09 0.02 3.55 1.74 -0.96 -0.34 116.66 120.67 3dpt n ARG 651 Ca -0.10 0.89 -0.11 0.00 -0.77 0.00 0.00 57.85 57.75 3dpt n ARG 651 Cb 0.54 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3dpt n ARG 651 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3dpt h THR 652 N 0.00 1.01 -0.91 0.55 2.02 -1.96 0.80 112.91 114.43 3dpt h THR 652 Ca 0.24 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3dpt h THR 652 Cb 0.38 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3dpt h THR 652 CO -0.58 0.01 0.57 -0.33 0.37 0.00 0.00 175.52 175.56 3dpt h GLU 653 N 0.07 1.22 0.13 6.66 5.08 -1.09 -1.42 114.58 125.23 3dpt h GLU 653 Ca 0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3dpt h GLU 653 Cb -0.01 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.98 3dpt h GLU 653 CO -0.01 0.83 -0.06 0.28 -1.00 0.00 0.00 179.01 179.05 3dpt h VAL 654 N 1.24 0.96 -0.67 3.13 2.07 -0.70 -2.26 116.25 120.02 3dpt h VAL 654 Ca 0.33 -1.19 0.12 0.00 0.82 0.00 0.00 66.70 66.77 3dpt h VAL 654 Cb -0.09 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3dpt h VAL 654 CO -0.07 0.25 0.23 -0.33 0.02 0.00 0.00 177.57 177.68 3dpt h GLU 655 N -0.82 0.38 -0.45 1.57 3.07 0.62 -0.73 114.58 118.22 3dpt h GLU 655 Ca -0.02 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 3dpt h GLU 655 Cb 0.55 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 3dpt h GLU 655 CO 0.03 0.25 0.06 0.87 -1.40 0.00 0.00 179.01 178.82 3dpt h LYS 656 N 0.39 0.70 -0.35 2.33 1.57 -1.32 -0.48 116.57 119.41 3dpt h LYS 656 Ca 0.36 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3dpt h LYS 656 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3dpt h LYS 656 CO -0.38 0.67 -0.09 -0.84 -0.57 0.00 0.00 179.45 178.24 3dpt h ILE 657 N 0.67 1.24 0.00 1.86 -2.65 -0.53 0.51 117.51 118.61 3dpt h ILE 657 Ca 0.15 -1.03 -0.08 0.00 1.03 0.00 0.00 64.86 64.92 3dpt h ILE 657 Cb 0.32 1.07 -0.01 0.00 -2.05 0.00 0.00 36.82 36.15 3dpt h ILE 657 CO 0.01 0.34 -1.38 0.00 0.03 0.00 0.00 178.15 177.15 3dpt h ASN 659 N 0.00 0.36 -0.84 0.00 -0.26 -1.04 0.18 115.58 113.97 3dpt h ASN 659 Ca -0.09 -0.29 0.05 0.00 -0.56 0.00 0.00 56.30 55.41 3dpt h ASN 659 Cb 1.28 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 38.38 3dpt h ASN 659 CO 0.02 1.09 0.53 0.44 -1.06 0.00 0.00 177.43 178.45 3dpt h ASP 660 N 0.15 0.86 0.23 5.81 3.45 -1.00 -2.78 116.42 123.14 3dpt h ASP 660 Ca -0.06 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3dpt h ASP 660 Cb 1.53 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.12 3dpt h ASP 660 CO 0.14 0.57 -0.20 -0.24 -1.57 0.00 0.00 179.24 177.94 3dpt n SER 661 N -4.60 0.97 0.00 6.45 2.88 -1.18 -4.97 113.62 113.16 3dpt n SER 661 Ca 0.11 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 3dpt n SER 661 Cb 0.14 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 3dpt n SER 661 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dpt n GLY 662 N 1.31 3.48 3.54 0.46 0.00 -0.53 -4.68 105.19 108.76 3dpt n GLY 662 Ca 0.13 -0.99 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 3dpt n GLY 662 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dpt n ILE 663 N 0.00 0.28 -0.03 -0.61 5.41 0.54 -4.77 119.36 120.18 3dpt n ILE 663 Ca 0.00 -0.38 -0.08 0.00 1.00 0.00 0.00 62.75 63.29 3dpt n ILE 663 Cb 0.00 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 36.70 3dpt n ILE 663 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3dpt n THR 664 N 7.53 0.84 -1.60 1.39 -2.24 -1.26 -3.32 114.28 115.62 3dpt n THR 664 Ca 0.34 0.03 -0.48 0.00 -2.27 0.00 0.00 64.05 61.67 3dpt n THR 664 Cb 0.36 -1.72 -0.05 0.00 -2.10 0.00 0.00 70.33 66.82 3dpt n THR 664 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dpt n ASP 665 N -3.59 3.02 -0.18 3.42 8.00 -1.26 -4.78 116.55 121.17 3dpt n ASP 665 Ca -0.14 0.66 0.29 0.00 0.71 0.00 0.00 54.79 56.30 3dpt n ASP 665 Cb 0.47 -1.37 0.73 0.00 -0.02 0.00 0.00 41.12 40.92 3dpt n ASP 665 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3dpt h PRO 666 N 11.31 0.00 0.34 -0.24 0.11 -1.99 0.14 132.00 141.66 3dpt h PRO 666 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3dpt h PRO 666 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3dpt h PRO 666 CO 0.97 0.00 -0.26 0.78 -0.21 0.00 0.00 178.00 179.28 3dpt h GLY 667 N 0.00 -0.64 0.30 -0.55 0.00 -1.99 -0.67 103.07 99.52 3dpt h GLY 667 Ca 0.43 0.30 0.06 0.00 0.00 0.00 0.00 47.33 48.11 3dpt h GLY 667 CO -0.00 -0.25 -0.18 0.83 0.00 0.00 0.00 176.54 176.94 3dpt h GLU 668 N -0.61 -0.18 -0.57 4.80 5.08 -1.09 0.15 114.58 122.16 3dpt h GLU 668 Ca -0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3dpt h GLU 668 Cb 0.53 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 3dpt h GLU 668 CO -0.01 -0.12 -0.26 0.00 -1.00 0.00 0.00 179.01 177.62 3dpt h ARG 669 N -0.19 -0.11 -0.48 2.33 3.08 -1.39 -0.24 114.38 117.38 3dpt h ARG 669 Ca 0.13 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3dpt h ARG 669 Cb 0.38 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3dpt h ARG 669 CO -0.32 -0.08 -0.13 0.87 -1.07 0.00 0.00 179.97 179.24 3dpt h LYS 670 N -0.12 0.91 -0.03 0.04 1.57 -0.41 -2.48 116.57 116.05 3dpt h LYS 670 Ca 0.25 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 3dpt h LYS 670 Cb 0.52 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3dpt h LYS 670 CO -0.65 0.98 -0.63 1.79 -0.57 0.00 0.00 179.45 180.37 3dpt h THR 671 N 0.81 1.42 -0.24 -0.16 1.35 -0.13 -2.48 112.91 113.48 3dpt h THR 671 Ca 0.13 -2.10 -0.10 0.00 -0.55 0.00 0.00 66.41 63.78 3dpt h THR 671 Cb 0.67 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3dpt h THR 671 CO 0.05 0.61 -0.25 0.25 -0.25 0.00 0.00 175.52 175.93 3dpt h LEU 672 N 0.09 0.64 -0.28 3.87 5.85 -0.98 -2.88 115.31 121.63 3dpt h LEU 672 Ca -0.01 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3dpt h LEU 672 Cb 1.14 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3dpt h LEU 672 CO 0.09 0.99 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.96 3dpt h LEU 673 N 0.30 0.61 -0.94 2.25 3.38 -1.43 -2.01 115.31 117.48 3dpt h LEU 673 Ca 0.04 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3dpt h LEU 673 Cb 0.81 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3dpt h LEU 673 CO 0.06 0.90 0.50 1.23 0.09 0.00 0.00 178.44 181.22 3dpt h GLY 674 N 0.33 1.33 0.73 0.83 0.00 -1.57 -1.52 103.07 103.21 3dpt h GLY 674 Ca 0.06 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.82 3dpt h GLY 674 CO 0.04 0.57 0.03 -1.82 0.00 0.00 0.00 176.54 175.36 3dpt h TYR 675 N 1.25 0.04 -0.08 5.60 3.20 -1.36 -1.99 116.97 123.64 3dpt h TYR 675 Ca 0.32 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 3dpt h TYR 675 Cb 0.01 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3dpt h TYR 675 CO 0.01 0.00 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.09 3dpt h LEU 676 N 0.11 0.18 -0.34 2.82 3.38 -1.12 -2.26 115.31 118.08 3dpt h LEU 676 Ca 0.10 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dpt h LEU 676 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dpt h LEU 676 CO -0.14 0.55 0.19 -1.13 0.09 0.00 0.00 178.44 177.99 3dpt h ASN 677 N 0.15 0.30 -0.19 -0.43 -1.24 -0.89 -2.33 115.58 110.95 3dpt h ASN 677 Ca 0.02 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 3dpt h ASN 677 Cb 0.74 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 3dpt h ASN 677 CO 0.06 0.22 0.10 0.78 -1.29 0.00 0.00 177.43 177.29 3dpt h ASN 678 N 0.39 0.24 0.00 1.15 2.35 -1.14 -2.39 115.58 116.17 3dpt h ASN 678 Ca 0.13 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3dpt h ASN 678 Cb 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3dpt h ASN 678 CO -0.07 0.26 0.00 0.18 -1.65 0.00 0.00 177.43 176.15 3dpt n LEU 679 N -4.90 0.24 0.00 1.61 4.32 -0.87 -4.79 117.00 112.61 3dpt n LEU 679 Ca -0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 3dpt n LEU 679 Cb 0.08 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3dpt n LEU 679 CO 0.34 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 3dpt n GLY 680 N 0.12 0.02 0.12 -0.72 0.00 -0.90 -4.78 105.19 99.05 3dpt n GLY 680 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.94 -3.51 -0.61 2.04 -1.65 -3.45 117.51 111.27 3dpt h ILE 681 Ca 0.00 -0.39 -0.22 0.00 1.00 0.00 0.00 64.86 65.25 3dpt h ILE 681 Cb 0.00 1.18 -0.28 0.00 -0.74 0.00 0.00 36.82 36.98 3dpt h ILE 681 CO 0.00 0.09 -0.63 -0.69 0.00 0.00 0.00 178.15 176.92 3dpt s VAL 682 N -5.40 -0.01 0.01 1.67 1.01 -1.14 -4.60 120.40 111.94 3dpt s VAL 682 Ca -0.15 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3dpt s VAL 682 Cb 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.23 3dpt s VAL 682 CO 0.63 0.01 0.52 -0.76 0.00 0.00 0.00 175.10 175.51 3dpt s LEU 683 N 0.21 4.46 -0.24 3.92 1.43 -0.40 -2.54 118.68 125.53 3dpt s LEU 683 Ca -0.01 1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 54.15 3dpt s LEU 683 Cb -0.02 -2.80 0.13 0.00 0.03 0.00 0.00 46.19 43.53 3dpt s LEU 683 CO -0.01 0.21 0.41 -0.47 0.23 0.00 0.00 176.35 176.72 3dpt s TYR 684 N -0.65 -0.90 -0.41 0.29 5.04 -1.26 -0.60 117.35 118.86 3dpt s TYR 684 Ca 0.28 1.10 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 3dpt s TYR 684 Cb -0.18 0.15 0.10 0.00 0.35 0.00 0.00 41.96 42.37 3dpt s TYR 684 CO 0.16 -0.68 0.22 -0.06 -1.34 0.00 0.00 175.55 173.85 3dpt s PHE 685 N 2.59 3.46 -0.19 4.97 0.08 -1.26 -4.93 117.98 122.71 3dpt s PHE 685 Ca 0.10 -2.03 0.29 0.00 0.12 0.00 0.00 56.93 55.40 3dpt s PHE 685 Cb -0.15 -3.08 1.20 0.00 -0.57 0.00 0.00 43.02 40.42 3dpt s PHE 685 CO -0.16 -0.93 1.85 1.49 -0.10 0.00 0.00 175.22 177.38 3dpt h GLU 686 N 8.21 0.00 -0.00 0.44 4.81 -2.00 -2.40 114.58 123.64 3dpt h GLU 686 Ca -0.18 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.85 3dpt h GLU 686 Cb 1.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3dpt h GLU 686 CO 0.72 0.00 -0.87 0.00 -0.73 0.00 0.00 179.01 178.13 3dpt h ALA 687 N 2.14 0.51 0.00 2.92 0.00 -2.03 -3.37 119.26 119.43 3dpt h ALA 687 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3dpt h ALA 687 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dpt h ALA 687 CO 0.00 0.89 -0.38 -0.07 0.00 0.00 0.00 179.25 179.69 3dpt h LEU 688 N 0.14 0.00 -1.11 0.00 3.38 -1.96 -3.49 115.31 112.27 3dpt h LEU 688 Ca -0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 3dpt h LEU 688 Cb 1.50 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.37 3dpt h LEU 688 CO 0.14 0.66 -0.58 -0.67 0.09 0.00 0.00 178.44 178.07 3dpt n ASP 689 N -4.51 -4.65 -4.69 -0.43 -0.08 -0.91 -5.00 116.55 96.28 3dpt n ASP 689 Ca -0.05 -0.46 -0.40 0.00 -1.51 0.00 0.00 54.79 52.36 3dpt n ASP 689 Cb 0.20 -4.27 -0.05 0.00 2.34 0.00 0.00 41.12 39.33 3dpt n ASP 689 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3dpt s LEU 690 N -6.06 4.24 0.15 -2.67 1.43 -1.26 -4.99 118.68 109.53 3dpt s LEU 690 Ca 0.35 1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 54.32 3dpt s LEU 690 Cb -0.16 -3.04 0.05 0.00 0.03 0.00 0.00 46.19 43.07 3dpt s LEU 690 CO 0.60 -0.22 1.65 0.28 0.23 0.00 0.00 176.35 178.89 3dpt h SER 691 N 7.08 -0.59 0.84 2.29 0.02 -1.96 -2.35 113.55 118.90 3dpt h SER 691 Ca -0.36 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3dpt h SER 691 Cb 1.17 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3dpt h SER 691 CO 0.78 -0.22 0.00 1.05 -1.14 0.00 0.00 176.83 177.30 3dpt h GLU 692 N -0.15 0.00 -2.12 3.45 9.09 -1.94 -2.55 114.58 120.37 3dpt h GLU 692 Ca 0.15 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.99 3dpt h GLU 692 Cb 0.38 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.08 3dpt h GLU 692 CO -0.38 0.00 -0.86 -0.89 0.05 0.00 0.00 179.01 176.94 3dpt n ILE 693 N -2.98 1.11 -0.05 -1.06 -0.00 -0.91 -4.36 119.36 111.10 3dpt n ILE 693 Ca 0.00 -4.79 -0.19 0.00 -0.00 0.00 0.00 62.75 57.77 3dpt n ILE 693 Cb 0.26 -1.69 -0.13 0.00 -0.00 0.00 0.00 39.64 38.08 3dpt n ILE 693 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 3dpt h TYR 694 N 3.77 0.17 -3.24 1.39 3.20 -0.22 -3.40 116.97 118.65 3dpt h TYR 694 Ca 0.13 -0.13 -0.49 0.00 3.14 0.00 0.00 58.73 61.39 3dpt h TYR 694 Cb 0.75 -0.01 -0.37 0.00 1.54 0.00 0.00 36.73 38.65 3dpt h TYR 694 CO 0.59 1.36 -0.79 0.08 -1.64 0.00 0.00 178.16 177.76 3dpt s VAL 695 N -2.36 0.77 0.13 1.81 1.01 -1.11 -4.46 120.40 116.19 3dpt s VAL 695 Ca -0.22 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3dpt s VAL 695 Cb 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3dpt s VAL 695 CO 0.69 0.32 -0.01 -0.76 0.00 0.00 0.00 175.10 175.34 3dpt s LEU 696 N 1.69 3.34 0.03 3.92 1.43 0.23 -1.36 118.68 127.97 3dpt s LEU 696 Ca 0.03 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3dpt s LEU 696 Cb -0.13 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3dpt s LEU 696 CO -0.06 0.13 1.20 -0.62 0.23 0.00 0.00 176.35 177.23 3dpt s ASP 697 N -2.61 7.07 0.19 2.29 -1.08 -1.01 -1.27 116.67 120.25 3dpt s ASP 697 Ca 0.26 1.97 -0.09 0.00 -0.52 0.00 0.00 52.55 54.17 3dpt s ASP 697 Cb -0.10 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 38.86 3dpt s ASP 697 CO 0.18 -0.50 1.65 -0.65 0.52 0.00 0.00 175.17 176.37 3dpt h PRO 698 N 6.98 1.08 -0.90 4.34 0.11 -1.89 -2.78 132.00 138.93 3dpt h PRO 698 Ca -0.40 -0.34 0.08 0.00 0.11 0.00 0.00 66.00 65.46 3dpt h PRO 698 Cb 1.20 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 3dpt h PRO 698 CO 0.83 1.04 0.55 1.25 -0.21 0.00 0.00 178.00 181.46 3dpt h HIS 699 N 0.99 1.01 -0.72 0.65 2.76 -1.94 -1.29 115.15 116.61 3dpt h HIS 699 Ca 0.18 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3dpt h HIS 699 Cb 0.55 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3dpt h HIS 699 CO 0.04 0.47 0.23 2.35 -1.30 0.00 0.00 177.93 179.72 3dpt h TRP 700 N 0.96 1.14 0.01 5.26 7.01 -1.85 -1.73 115.95 126.75 3dpt h TRP 700 Ca 0.42 -0.11 -0.20 0.00 2.11 0.00 0.00 58.89 61.11 3dpt h TRP 700 Cb 0.29 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3dpt h TRP 700 CO -0.03 0.90 -0.92 -0.39 -2.79 0.00 0.00 178.44 175.22 3dpt h VAL 701 N 1.05 1.59 -0.12 2.65 -1.51 -1.39 -2.88 116.25 115.64 3dpt h VAL 701 Ca 0.23 -2.93 -0.05 0.00 -1.23 0.00 0.00 66.70 62.71 3dpt h VAL 701 Cb 0.29 2.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3dpt h VAL 701 CO -0.01 0.84 -0.14 0.74 -1.23 0.00 0.00 177.57 177.78 3dpt h THR 702 N 0.04 1.36 -0.77 7.19 2.02 -1.08 0.11 112.91 121.77 3dpt h THR 702 Ca -0.03 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 65.84 3dpt h THR 702 Cb 1.59 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 3dpt h THR 702 CO 0.13 0.38 0.51 0.40 0.37 0.00 0.00 175.52 177.31 3dpt h ILE 703 N -0.10 1.17 0.31 3.11 2.04 -1.42 0.33 117.51 122.95 3dpt h ILE 703 Ca 0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3dpt h ILE 703 Cb 0.68 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3dpt h ILE 703 CO 0.03 0.19 -0.15 1.23 0.00 0.00 0.00 178.15 179.45 3dpt h GLY 704 N 1.02 -0.43 0.98 5.37 0.00 -1.40 0.73 103.07 109.35 3dpt h GLY 704 Ca 0.29 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 3dpt h GLY 704 CO -0.08 -0.16 0.27 -2.08 0.00 0.00 0.00 176.54 174.50 3dpt h VAL 705 N -0.47 1.17 -0.11 4.60 2.07 -0.61 -1.99 116.25 120.90 3dpt h VAL 705 Ca -0.04 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3dpt h VAL 705 Cb 0.36 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3dpt h VAL 705 CO 0.07 0.18 -0.18 0.22 0.02 0.00 0.00 177.57 177.88 3dpt h TYR 706 N 0.66 -0.45 -0.74 1.57 3.20 -0.23 -0.72 116.97 120.26 3dpt h TYR 706 Ca 0.17 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.12 3dpt h TYR 706 Cb 0.04 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3dpt h TYR 706 CO -0.02 -0.25 0.49 0.00 -1.64 0.00 0.00 178.16 176.74 3dpt h ARG 707 N -0.23 0.80 0.27 1.82 2.47 -0.55 -0.51 114.38 118.45 3dpt h ARG 707 Ca 0.09 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3dpt h ARG 707 Cb 0.36 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3dpt h ARG 707 CO -0.24 0.53 -0.13 0.82 0.56 0.00 0.00 179.97 181.51 3dpt h ILE 708 N 0.83 0.76 0.00 2.04 2.04 -0.61 -1.29 117.51 121.28 3dpt h ILE 708 Ca 0.31 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3dpt h ILE 708 Cb 0.17 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3dpt h ILE 708 CO -0.10 0.11 0.00 2.30 0.00 0.00 0.00 178.15 180.47 3dpt n ILE 709 N -5.12 0.72 0.57 -0.67 -5.35 -0.35 -3.14 119.36 106.02 3dpt n ILE 709 Ca -0.09 0.13 0.06 0.00 -0.27 0.00 0.00 62.75 62.58 3dpt n ILE 709 Cb 0.25 -0.91 -0.01 0.00 -1.74 0.00 0.00 39.64 37.23 3dpt n ILE 709 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3dpt n ASN 710 N -1.84 1.29 -4.60 7.28 3.02 -0.23 -4.86 115.26 115.32 3dpt n ASN 710 Ca 0.04 -1.15 -0.40 0.00 -0.03 0.00 0.00 54.58 53.04 3dpt n ASN 710 Cb 0.25 0.54 0.02 0.00 -0.61 0.00 0.00 39.78 39.99 3dpt n ASN 710 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3dpt n SER 711 N -0.34 1.00 0.27 6.41 2.88 -0.49 -4.87 113.62 118.47 3dpt n SER 711 Ca 0.05 0.96 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 3dpt n SER 711 Cb 0.26 -1.35 0.74 0.00 -0.75 0.00 0.00 64.21 63.11 3dpt n SER 711 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3dpt h SER 712 N 1.23 0.00 0.70 -3.46 4.64 -1.92 -2.64 113.55 112.10 3dpt h SER 712 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dpt h SER 712 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3dpt h SER 712 CO 0.55 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 3dpt n LYS 713 N -3.88 0.18 -0.05 4.77 5.02 -1.26 -3.30 118.16 119.64 3dpt n LYS 713 Ca -0.02 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 3dpt n LYS 713 Cb 0.18 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.40 0.63 0.18 -0.18 -2.24 -1.00 -4.64 114.28 105.63 3dpt n THR 714 Ca 0.09 -0.81 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 3dpt n THR 714 Cb 0.26 0.72 0.75 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.88 0.00 -0.36 -0.78 1.57 -1.57 -0.68 116.57 115.62 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 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 -4.17 3.37 0.00 0.86 3.02 -1.25 -4.69 115.26 112.40 3dpt n ASN 716 Ca 0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3dpt n ASN 716 Cb 0.31 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3dpt n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dpt n GLY 717 N 1.41 0.82 3.54 7.41 0.00 -0.26 -4.28 105.19 113.83 3dpt n GLY 717 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.08 2.80 -0.20 1.61 3.76 -1.26 -0.79 115.29 119.12 3dpt s HIS 718 Ca 0.00 -0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 3dpt s HIS 718 Cb 0.00 -1.60 0.06 0.00 1.11 0.00 0.00 32.58 32.15 3dpt s HIS 718 CO 0.00 0.31 0.00 -1.17 -0.85 0.00 0.00 174.74 173.03 3dpt s LEU 719 N -1.20 1.58 -0.63 0.89 0.20 0.40 -4.11 118.68 115.81 3dpt s LEU 719 Ca 0.15 -0.89 -0.22 0.00 0.69 0.00 0.00 54.13 53.86 3dpt s LEU 719 Cb -0.11 -0.77 0.07 0.00 -0.43 0.00 0.00 46.19 44.95 3dpt s LEU 719 CO 0.05 -0.28 0.90 0.21 -0.29 0.00 0.00 176.35 176.94 3dpt s ASN 720 N 1.72 6.19 0.56 3.68 3.04 -1.26 0.64 114.94 129.51 3dpt s ASN 720 Ca -0.02 -0.99 0.17 0.00 0.04 0.00 0.00 52.86 52.07 3dpt s ASN 720 Cb -0.17 -2.39 0.95 0.00 -1.54 0.00 0.00 41.25 38.09 3dpt s ASN 720 CO -0.07 -1.34 1.49 0.71 -3.04 0.00 0.00 177.10 174.85 3dpt h THR 721 N 5.96 0.00 -0.08 -5.21 1.35 -1.96 0.60 112.91 113.57 3dpt h THR 721 Ca -0.29 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3dpt h THR 721 Cb 1.07 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3dpt h THR 721 CO 1.15 0.00 0.10 0.28 -0.25 0.00 0.00 175.52 176.80 3dpt h SER 722 N 0.00 0.00 -0.09 5.36 0.02 -1.91 -1.65 113.55 115.27 3dpt h SER 722 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dpt h SER 722 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3dpt h SER 722 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3dpt n ALA 723 N -2.30 2.53 -0.33 3.77 0.00 0.21 -4.38 120.51 120.01 3dpt n ALA 723 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 53.44 52.88 3dpt n ALA 723 Cb 0.20 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.70 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 2.81 0.95 -0.33 0.00 3.38 -1.46 0.11 115.31 120.77 3dpt h LEU 724 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dpt h LEU 724 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dpt h LEU 724 CO 0.00 0.65 0.13 1.23 0.09 0.00 0.00 178.44 180.54 3dpt h GLY 725 N 1.11 0.54 0.84 0.83 0.00 -1.81 0.92 103.07 105.49 3dpt h GLY 725 Ca 0.36 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3dpt h GLY 725 CO -0.12 0.28 0.01 -1.82 0.00 0.00 0.00 176.54 174.89 3dpt h TYR 726 N 0.39 0.02 -0.65 5.60 3.20 -1.75 -1.19 116.97 122.59 3dpt h TYR 726 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3dpt h TYR 726 Cb 0.20 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3dpt h TYR 726 CO -0.00 -0.00 0.43 0.82 -1.64 0.00 0.00 178.16 177.77 3dpt h ILE 727 N 0.06 1.17 0.00 1.81 2.04 -0.62 -0.11 117.51 121.86 3dpt h ILE 727 Ca 0.06 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.40 3dpt h ILE 727 Cb 0.06 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3dpt h ILE 727 CO -0.09 0.17 -1.22 -0.07 0.00 0.00 0.00 178.15 176.94 3dpt h LEU 728 N 0.89 0.00 0.00 1.44 3.38 -0.72 -3.39 115.31 116.90 3dpt h LEU 728 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3dpt h LEU 728 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dpt h LEU 728 CO -0.05 0.81 -1.20 0.59 0.09 0.00 0.00 178.44 178.68 3dpt n ASN 729 N -3.13 4.16 0.00 -0.43 3.02 -0.46 -4.79 115.26 113.64 3dpt n ASN 729 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3dpt n ASN 729 Cb 0.91 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 40.94 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 -1.89 0.00 0.28 3.52 4.71 -0.09 -5.05 120.64 122.12 3dpt n GLU 730 Ca -0.03 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3dpt n GLU 730 Cb 0.37 -0.46 0.00 0.00 -1.01 0.00 0.00 31.44 30.33 3dpt n GLU 730 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dpt n GLU 731 N -1.50 0.03 -3.32 3.49 1.02 -1.00 -5.05 120.64 114.31 3dpt n GLU 731 Ca 0.00 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 3dpt n GLU 731 Cb 0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.20 3dpt n GLU 731 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dpt n LYS 745 N -2.18 3.54 -5.10 3.49 4.01 -1.26 -5.15 118.16 115.50 3dpt n LYS 745 Ca 0.00 -4.51 -0.32 0.00 -0.51 0.00 0.00 58.31 52.97 3dpt n LYS 745 Cb 0.85 -2.49 -0.15 0.00 -0.51 0.00 0.00 35.03 32.73 3dpt n LYS 745 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3dpt s PHE 746 N -1.84 2.56 -0.00 2.13 2.99 -1.26 -5.14 117.98 117.41 3dpt s PHE 746 Ca 0.31 -0.59 0.05 0.00 0.00 0.00 0.00 56.93 56.70 3dpt s PHE 746 Cb -0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 43.02 41.31 3dpt s PHE 746 CO -0.03 -0.13 -0.15 0.99 -0.00 0.00 0.00 175.22 175.90 3dpt s THR 747 N -0.20 3.05 -0.24 0.64 2.01 -1.26 -4.83 115.64 114.80 3dpt s THR 747 Ca -0.02 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 3dpt s THR 747 Cb -0.13 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.19 3dpt s THR 747 CO 0.03 0.45 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.10 3dpt s TYR 748 N -0.86 2.05 1.03 4.92 2.02 -1.26 -5.09 117.35 120.17 3dpt s TYR 748 Ca 0.14 -1.60 -0.14 0.00 -0.37 0.00 0.00 57.07 55.10 3dpt s TYR 748 Cb -0.11 -1.54 0.20 0.00 -0.40 0.00 0.00 41.96 40.12 3dpt s TYR 748 CO 0.04 -0.76 1.10 0.95 -1.57 0.00 0.00 175.55 175.31 3dpt s THR 749 N 1.51 1.94 0.19 -0.71 -4.23 -1.26 -4.70 115.64 108.37 3dpt s THR 749 Ca -0.02 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 3dpt s THR 749 Cb -0.18 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.28 3dpt s THR 749 CO -0.09 0.00 1.63 -0.07 -0.54 0.00 0.00 174.62 175.55 3dpt h LEU 750 N -1.99 -0.65 -0.54 4.79 3.38 -2.00 0.13 115.31 118.42 3dpt h LEU 750 Ca -0.53 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 3dpt h LEU 750 Cb 1.33 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 3dpt h LEU 750 CO 0.54 -0.22 -0.00 -0.07 0.09 0.00 0.00 178.44 178.78 3dpt h LEU 751 N -0.07 0.93 -2.18 1.67 3.38 -1.99 -2.13 115.31 114.92 3dpt h LEU 751 Ca 0.24 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dpt h LEU 751 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3dpt h LEU 751 CO -0.55 1.01 -0.05 -0.33 0.09 0.00 0.00 178.44 178.61 3dpt h GLU 752 N 0.83 0.00 0.02 1.13 5.08 -1.65 0.41 114.58 120.40 3dpt h GLU 752 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3dpt h GLU 752 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3dpt h GLU 752 CO 0.03 0.05 -0.01 1.96 -1.00 0.00 0.00 179.01 180.04 3dpt h GLN 753 N 0.00 -0.03 -0.76 2.33 4.20 -0.35 -2.62 115.11 117.89 3dpt h GLN 753 Ca -0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3dpt h GLN 753 Cb 0.13 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 3dpt h GLN 753 CO 0.01 0.52 0.32 0.00 -0.67 0.00 0.00 178.83 179.00 3dpt h ARG 754 N -0.58 0.47 -0.82 1.46 2.47 -0.72 -1.80 114.38 114.86 3dpt h ARG 754 Ca -0.00 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 3dpt h ARG 754 Cb 0.55 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 3dpt h ARG 754 CO 0.00 0.31 0.35 -0.92 0.56 0.00 0.00 179.97 180.27 3dpt h TYR 755 N 0.48 1.22 0.02 3.04 3.20 -0.99 -1.41 116.97 122.54 3dpt h TYR 755 Ca 0.41 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3dpt h TYR 755 Cb 0.59 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3dpt h TYR 755 CO -0.15 0.90 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.19 3dpt h LEU 756 N 1.18 -0.03 -0.78 2.82 3.38 -0.96 -1.58 115.31 119.34 3dpt h LEU 756 Ca 0.28 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.24 3dpt h LEU 756 Cb 0.18 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 3dpt h LEU 756 CO -0.03 0.16 0.23 -0.07 0.09 0.00 0.00 178.44 178.83 3dpt h LEU 757 N -0.22 0.10 -0.83 1.67 3.38 -1.22 0.57 115.31 118.76 3dpt h LEU 757 Ca -0.00 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dpt h LEU 757 Cb 0.21 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3dpt h LEU 757 CO 0.01 -0.02 0.51 0.44 0.09 0.00 0.00 178.44 179.47 3dpt h ASP 758 N 0.31 0.98 -0.47 -0.43 3.32 -0.93 0.63 116.42 119.84 3dpt h ASP 758 Ca 0.45 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 3dpt h ASP 758 Cb 0.78 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3dpt h ASP 758 CO -0.51 0.75 0.22 0.40 -1.72 0.00 0.00 179.24 178.38 3dpt h ILE 759 N 1.13 1.19 -0.80 0.35 2.04 -0.16 -1.44 117.51 119.83 3dpt h ILE 759 Ca 0.30 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3dpt h ILE 759 Cb -0.07 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3dpt h ILE 759 CO -0.06 0.21 0.52 0.24 0.00 0.00 0.00 178.15 179.06 3dpt h MET 760 N 0.62 0.99 -0.43 2.37 2.86 -0.42 -0.11 114.93 120.80 3dpt h MET 760 Ca 0.16 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3dpt h MET 760 Cb 0.12 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3dpt h MET 760 CO -0.02 0.66 0.19 0.87 1.06 0.00 0.00 176.91 179.67 3dpt h LYS 761 N 1.02 0.64 -0.49 1.72 1.57 -0.64 -1.17 116.57 119.23 3dpt h LYS 761 Ca 0.31 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 3dpt h LYS 761 Cb -0.04 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 3dpt h LYS 761 CO -0.09 0.57 0.16 0.37 -0.57 0.00 0.00 179.45 179.89 3dpt h GLN 762 N 0.56 0.32 -0.02 3.15 5.75 -0.77 -0.45 115.11 123.67 3dpt h GLN 762 Ca 0.15 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3dpt h GLN 762 Cb 0.15 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3dpt h GLN 762 CO -0.02 0.21 0.00 1.19 -2.65 0.00 0.00 178.83 177.57 3dpt n PHE 763 N -5.02 0.02 -3.57 3.99 3.72 -0.10 -4.92 117.46 111.59 3dpt n PHE 763 Ca 0.05 -0.01 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 3dpt n PHE 763 Cb 0.20 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.68 -6.01 -0.00 -1.08 1.02 -0.18 -4.92 120.64 108.79 3dpt n GLU 764 Ca 0.14 0.75 0.10 0.00 -0.02 0.00 0.00 57.16 58.13 3dpt n GLU 764 Cb 0.09 -5.59 -0.13 0.00 -0.02 0.00 0.00 31.44 25.79 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 -4.27 0.82 -3.62 -4.62 4.77 -0.52 -4.69 117.00 104.87 3dpt n LEU 765 Ca -0.26 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 3dpt n LEU 765 Cb 0.66 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3dpt n LEU 765 CO 0.65 0.20 0.58 0.00 -1.33 0.00 0.00 177.39 177.49 3dpt s TYR 767 N -3.49 0.28 -0.22 0.00 -0.85 -0.64 -4.57 117.35 107.87 3dpt s TYR 767 Ca 0.07 -0.70 -0.24 0.00 -0.52 0.00 0.00 57.07 55.68 3dpt s TYR 767 Cb -0.02 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 3dpt s TYR 767 CO -0.04 -0.56 0.79 0.34 -1.52 0.00 0.00 175.55 174.56 3dpt s ASP 768 N -2.90 6.82 0.26 -0.18 -1.08 -1.26 -0.28 116.67 118.06 3dpt s ASP 768 Ca 0.09 1.02 0.19 0.00 -0.52 0.00 0.00 52.55 53.32 3dpt s ASP 768 Cb 0.05 -2.42 0.08 0.00 -1.46 0.00 0.00 42.92 39.17 3dpt s ASP 768 CO -0.08 -0.44 1.28 -0.08 0.52 0.00 0.00 175.17 176.37 3dpt h GLU 769 N 7.57 0.00 0.00 4.34 4.81 -1.46 -3.48 114.58 126.37 3dpt h GLU 769 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3dpt h GLU 769 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3dpt h GLU 769 CO 0.84 0.23 0.00 0.41 -0.73 0.00 0.00 179.01 179.76 3dpt n GLY 770 N 1.22 0.51 2.66 1.92 0.00 -1.25 -5.02 105.19 105.22 3dpt n GLY 770 Ca -0.00 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.22 -2.55 1.61 2.85 -1.26 -4.63 118.16 117.39 3dpt n LYS 771 Ca 0.00 -3.22 -0.18 0.00 -1.05 0.00 0.00 58.31 53.86 3dpt n LYS 771 Cb 0.00 -2.30 0.01 0.00 -0.65 0.00 0.00 35.03 32.09 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 0.35 -0.34 2.91 2.58 0.00 -1.26 -5.00 105.19 104.43 3dpt n GLY 772 Ca 0.52 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.26 2.02 0.17 0.99 1.98 -1.26 -3.35 118.68 113.97 3dpt s LEU 773 Ca 0.10 -0.89 -0.08 0.00 -2.89 0.00 0.00 54.13 50.37 3dpt s LEU 773 Cb -0.04 -1.04 -0.06 0.00 0.66 0.00 0.00 46.19 45.71 3dpt s LEU 773 CO 0.13 -0.20 0.46 -0.36 -1.89 0.00 0.00 176.35 174.48 3dpt s PHE 774 N 1.53 3.48 -0.12 5.38 2.99 0.21 -1.10 117.98 130.34 3dpt s PHE 774 Ca -0.02 0.75 -0.00 0.00 0.00 0.00 0.00 56.93 57.65 3dpt s PHE 774 Cb -0.17 -2.15 -0.02 0.00 0.00 0.00 0.00 43.02 40.68 3dpt s PHE 774 CO -0.07 0.38 -0.11 0.42 -0.00 0.00 0.00 175.22 175.84 3dpt s ILE 775 N -1.67 3.29 -0.68 0.64 1.01 0.62 -0.45 121.20 123.96 3dpt s ILE 775 Ca 0.42 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3dpt s ILE 775 Cb -0.12 -2.38 0.17 0.00 0.01 0.00 0.00 42.46 40.14 3dpt s ILE 775 CO 0.22 0.53 0.50 -0.63 0.00 0.00 0.00 174.94 175.56 3dpt s ILE 776 N 0.15 3.66 0.40 2.92 1.01 0.03 -1.62 121.20 127.75 3dpt s ILE 776 Ca -0.06 -3.33 0.18 0.00 0.00 0.00 0.00 60.65 57.45 3dpt s ILE 776 Cb -0.15 -3.37 0.39 0.00 0.01 0.00 0.00 42.46 39.34 3dpt s ILE 776 CO 0.04 -0.93 1.79 -0.65 0.00 0.00 0.00 174.94 175.19 3dpt h PRO 777 N 6.59 0.40 0.00 2.79 0.11 -1.82 0.15 132.00 140.21 3dpt h PRO 777 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3dpt h PRO 777 Cb 0.90 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3dpt h PRO 777 CO 0.74 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 3dpt n SER 778 N -4.60 0.00 -1.00 -2.05 3.41 -1.26 -1.94 113.62 106.18 3dpt n SER 778 Ca 0.24 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 3dpt n SER 778 Cb 0.84 -0.36 0.15 0.00 -0.26 0.00 0.00 64.21 64.58 3dpt n SER 778 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dpt n ASN 779 N -1.36 3.14 -4.77 4.04 4.13 0.52 -5.00 115.26 115.95 3dpt n ASN 779 Ca 0.09 -1.94 -0.37 0.00 1.68 0.00 0.00 54.58 54.03 3dpt n ASN 779 Cb 0.21 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.60 4.06 0.65 3.41 1.43 -0.82 -2.59 118.68 123.23 3dpt s LEU 780 Ca 0.32 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 3dpt s LEU 780 Cb 0.20 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 3dpt s LEU 780 CO 0.29 -0.79 1.05 -0.81 0.23 0.00 0.00 176.35 176.32 3dpt n PRO 781 N -0.33 0.84 0.23 1.29 -0.04 -1.26 -3.72 135.00 132.01 3dpt n PRO 781 Ca 0.06 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 3dpt n PRO 781 Cb 0.48 -2.28 0.54 0.00 -0.04 0.00 0.00 33.50 32.20 3dpt n PRO 781 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3dpt h THR 782 N 0.28 0.74 -3.70 0.52 1.35 -1.95 -1.24 112.91 108.91 3dpt h THR 782 Ca -0.49 -0.96 -0.33 0.00 -0.55 0.00 0.00 66.41 64.09 3dpt h THR 782 Cb 1.35 1.60 -0.18 0.00 -1.73 0.00 0.00 68.15 69.19 3dpt h THR 782 CO 0.50 0.22 -0.73 -1.10 -0.25 0.00 0.00 175.52 174.16 3dpt s GLN 783 N -3.98 0.87 0.01 4.72 -0.21 -1.26 -4.60 119.66 115.22 3dpt s GLN 783 Ca -0.02 -1.18 0.06 0.00 0.02 0.00 0.00 55.36 54.24 3dpt s GLN 783 Cb 0.12 -0.56 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 3dpt s GLN 783 CO 0.64 0.09 -0.18 0.96 -2.12 0.00 0.00 175.29 174.68 3dpt s ILE 784 N -2.48 1.40 0.55 1.08 -4.36 -1.26 -5.00 121.20 111.13 3dpt s ILE 784 Ca 0.06 -0.90 0.32 0.00 -0.26 0.00 0.00 60.65 59.87 3dpt s ILE 784 Cb -0.03 -1.19 0.36 0.00 1.25 0.00 0.00 42.46 42.85 3dpt s ILE 784 CO 0.00 0.27 2.23 0.44 0.24 0.00 0.00 174.94 178.12 3dpt h ASP 785 N 5.35 0.00 -0.31 4.36 3.32 -2.01 -2.85 116.42 124.28 3dpt h ASP 785 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3dpt h ASP 785 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3dpt h ASP 785 CO 0.46 0.03 0.00 -0.46 -1.72 0.00 0.00 179.24 177.55 3dpt n ASN 786 N -3.65 2.84 -4.73 6.45 2.04 -1.26 -5.01 115.26 111.94 3dpt n ASN 786 Ca -0.03 -1.88 -0.63 0.00 -0.44 0.00 0.00 54.58 51.60 3dpt n ASN 786 Cb 0.12 -0.20 -0.09 0.00 -2.53 0.00 0.00 39.78 37.08 3dpt n ASN 786 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 3dpt n GLU 787 N 0.72 0.54 -1.90 -3.83 2.13 -1.08 -4.94 120.64 112.27 3dpt n GLU 787 Ca 0.12 0.20 -0.31 0.00 0.66 0.00 0.00 57.16 57.83 3dpt n GLU 787 Cb 0.43 -1.78 0.02 0.00 0.27 0.00 0.00 31.44 30.37 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 3.30 3.47 0.00 5.31 0.05 -1.26 -5.00 135.00 140.87 3dpt s PRO 788 Ca 1.02 0.68 -0.20 0.00 0.05 0.00 0.00 61.00 62.55 3dpt s PRO 788 Cb -1.30 -2.08 -0.24 0.00 0.05 0.00 0.00 34.50 30.93 3dpt s PRO 788 CO 0.74 -0.63 1.08 0.93 0.05 0.00 0.00 177.00 179.17 3dpt h GLU 789 N -0.35 0.41 -6.70 4.56 4.39 -2.04 -3.48 114.58 111.36 3dpt h GLU 789 Ca -0.44 -0.46 -0.54 0.00 0.34 0.00 0.00 59.36 58.26 3dpt h GLU 789 Cb 1.20 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.88 3dpt h GLU 789 CO 0.62 1.12 -0.92 -0.89 -1.16 0.00 0.00 179.01 177.79 3dpt n ILE 790 N -4.20 -2.38 -0.25 3.13 2.08 -1.26 -4.86 119.36 111.62 3dpt n ILE 790 Ca -0.11 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.70 3dpt n ILE 790 Cb 0.69 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 3dpt n ILE 790 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3dpt n THR 791 N -4.47 0.08 -0.05 1.39 -2.24 -1.26 -4.85 114.28 102.88 3dpt n THR 791 Ca -0.31 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 3dpt n THR 791 Cb 0.69 1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 70.03 3dpt n THR 791 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dpt h GLU 792 N 0.00 0.51 -1.78 -0.78 3.07 -2.00 -3.39 114.58 110.21 3dpt h GLU 792 Ca 0.00 -0.35 -0.63 0.00 -0.50 0.00 0.00 59.36 57.87 3dpt h GLU 792 Cb 0.18 0.05 -0.39 0.00 -0.84 0.00 0.00 28.75 27.76 3dpt h GLU 792 CO 0.00 0.97 -0.32 0.41 -1.40 0.00 0.00 179.01 178.67 3dpt n GLY 793 N 0.51 5.86 3.80 -3.84 0.00 -1.26 -4.88 105.19 105.39 3dpt n GLY 793 Ca -0.07 -2.71 -0.33 0.00 0.00 0.00 0.00 46.02 42.90 3dpt n GLY 793 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpt n GLU 794 N -0.43 -0.94 -1.05 1.61 1.02 -1.26 -4.94 120.64 114.64 3dpt n GLU 794 Ca 0.41 0.46 -0.31 0.00 -0.02 0.00 0.00 57.16 57.69 3dpt n GLU 794 Cb 0.52 -3.30 0.13 0.00 -0.02 0.00 0.00 31.44 28.77 3dpt n GLU 794 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dpt s PRO 795 N -6.07 1.65 -0.40 3.49 0.04 -1.26 -4.98 135.00 127.48 3dpt s PRO 795 Ca 0.35 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 3dpt s PRO 795 Cb -0.16 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.58 3dpt s PRO 795 CO 0.90 -2.09 1.02 -1.17 0.04 0.00 0.00 177.00 175.70 3dpt s LEU 796 N -6.21 3.89 -0.05 -3.56 2.96 -0.55 -4.83 118.68 110.32 3dpt s LEU 796 Ca 0.63 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 55.10 3dpt s LEU 796 Cb -0.19 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3dpt s LEU 796 CO 0.57 -0.99 0.16 -0.13 -1.32 0.00 0.00 176.35 174.64 3dpt s ARG 797 N 3.81 3.42 -0.12 1.98 0.52 -1.26 -1.68 118.95 125.62 3dpt s ARG 797 Ca 0.42 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.32 3dpt s ARG 797 Cb -0.10 -3.12 0.06 0.00 0.52 0.00 0.00 34.95 32.30 3dpt s ARG 797 CO 0.22 0.71 0.27 0.12 0.02 0.00 0.00 175.30 176.65 3dpt s PHE 798 N -1.21 -0.40 -0.14 -0.53 5.36 -0.21 -4.53 117.98 116.32 3dpt s PHE 798 Ca 0.22 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 3dpt s PHE 798 Cb -0.12 0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.59 3dpt s PHE 798 CO 0.13 -0.30 -0.17 0.42 -1.46 0.00 0.00 175.22 173.84 3dpt s ILE 799 N 1.79 2.52 -0.30 3.12 1.01 0.29 -0.88 121.20 128.75 3dpt s ILE 799 Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 3dpt s ILE 799 Cb -0.11 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3dpt s ILE 799 CO -0.09 0.53 0.09 -0.04 0.00 0.00 0.00 174.94 175.43 3dpt s MET 800 N 0.73 3.11 -0.30 2.79 -1.94 0.97 0.74 119.30 125.40 3dpt s MET 800 Ca -0.07 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 52.96 3dpt s MET 800 Cb -0.16 -3.41 -0.01 0.00 2.01 0.00 0.00 34.83 33.26 3dpt s MET 800 CO 0.01 -0.45 0.15 0.21 -0.01 0.00 0.00 175.02 174.93 3dpt s LYS 801 N 1.51 3.42 -0.04 2.03 2.47 0.21 -0.90 119.74 128.44 3dpt s LYS 801 Ca 0.03 -0.66 -0.07 0.00 -1.56 0.00 0.00 55.97 53.71 3dpt s LYS 801 Cb -0.17 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 3dpt s LYS 801 CO 0.03 -0.37 0.22 0.71 0.16 0.00 0.00 175.35 176.10 3dpt s TYR 802 N 1.63 3.59 0.11 4.03 2.02 0.52 -1.19 117.35 128.05 3dpt s TYR 802 Ca 0.05 0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 57.11 3dpt s TYR 802 Cb -0.17 -1.96 -0.06 0.00 -0.40 0.00 0.00 41.96 39.37 3dpt s TYR 802 CO 0.06 0.66 1.64 0.22 -1.57 0.00 0.00 175.55 176.57 3dpt h ASP 803 N 4.33 0.37 -3.76 2.29 -0.00 -1.56 -3.43 116.42 114.67 3dpt h ASP 803 Ca -0.52 -0.17 -0.29 0.00 -0.00 0.00 0.00 57.03 56.06 3dpt h ASP 803 Cb 1.21 -0.10 -0.29 0.00 -0.00 0.00 0.00 39.33 40.15 3dpt h ASP 803 CO 0.64 0.45 -0.74 -0.47 -0.00 0.00 0.00 179.24 179.11 3dpt s TYR 804 N -5.52 0.24 -0.38 0.28 5.04 -1.26 -5.04 117.35 110.70 3dpt s TYR 804 Ca -0.13 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 3dpt s TYR 804 Cb 0.08 -0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.28 3dpt s TYR 804 CO 0.72 -0.02 0.17 -1.17 -1.34 0.00 0.00 175.55 173.91 3dpt s LEU 805 N 0.13 4.80 0.37 6.97 2.96 -1.26 -4.84 118.68 127.80 3dpt s LEU 805 Ca -0.01 -1.52 -0.27 0.00 -0.22 0.00 0.00 54.13 52.11 3dpt s LEU 805 Cb -0.03 -1.88 -0.11 0.00 0.50 0.00 0.00 46.19 44.67 3dpt s LEU 805 CO -0.00 -0.45 1.24 -2.65 -1.32 0.00 0.00 176.35 173.17 3dpt n PRO 806 N 4.77 1.94 0.00 0.98 -0.02 -1.26 -4.85 135.00 136.56 3dpt n PRO 806 Ca -0.09 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3dpt n PRO 806 Cb 0.43 -2.29 0.63 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.61 0.00 -0.53 2.55 3.41 -1.26 -3.13 113.62 115.27 3dpt n SER 807 Ca 0.06 -1.05 0.07 0.00 -0.26 0.00 0.00 58.87 57.69 3dpt n SER 807 Cb 0.37 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3dpt n SER 807 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dpt n THR 808 N -0.89 0.00 0.19 6.66 -2.24 -1.26 -4.58 114.28 112.16 3dpt n THR 808 Ca 0.16 -0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 3dpt n THR 808 Cb 0.07 1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 69.50 3dpt n THR 808 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3dpt h ILE 809 N 2.59 0.70 -0.10 2.28 1.08 -1.93 -0.93 117.51 121.20 3dpt h ILE 809 Ca 0.00 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3dpt h ILE 809 Cb 0.57 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3dpt h ILE 809 CO 0.00 0.02 -0.13 0.40 -0.69 0.00 0.00 178.15 177.74 3dpt h ILE 810 N -0.47 0.64 -0.33 -0.67 1.08 -1.85 0.93 117.51 116.85 3dpt h ILE 810 Ca -0.04 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 3dpt h ILE 810 Cb 0.35 0.64 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 3dpt h ILE 810 CO 0.07 0.00 -0.26 -0.65 -0.69 0.00 0.00 178.15 176.62 3dpt h PRO 811 N -0.18 -0.21 -0.51 2.37 0.11 -1.81 -1.22 132.00 130.55 3dpt h PRO 811 Ca 0.08 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3dpt h PRO 811 Cb 0.29 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 3dpt h PRO 811 CO -0.20 -0.14 0.31 0.00 -0.21 0.00 0.00 178.00 177.75 3dpt h ARG 812 N -0.22 0.68 -0.45 1.05 3.08 -0.73 -1.30 114.38 116.49 3dpt h ARG 812 Ca 0.16 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3dpt h ARG 812 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3dpt h ARG 812 CO -0.46 0.48 -0.27 1.25 -1.07 0.00 0.00 179.97 179.90 3dpt h LEU 813 N 0.70 1.00 -0.83 3.04 5.85 -0.45 -1.16 115.31 123.46 3dpt h LEU 813 Ca 0.18 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3dpt h LEU 813 Cb -0.03 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3dpt h LEU 813 CO -0.03 1.19 0.55 0.24 -0.34 0.00 0.00 178.44 180.05 3dpt h MET 814 N 0.81 1.08 -0.44 1.25 2.86 -0.33 -0.86 114.93 119.30 3dpt h MET 814 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3dpt h MET 814 Cb 0.85 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3dpt h MET 814 CO 0.07 0.71 0.22 0.82 1.06 0.00 0.00 176.91 179.79 3dpt h ILE 815 N 1.11 1.18 -0.39 -1.22 2.04 -1.08 -0.04 117.51 119.11 3dpt h ILE 815 Ca 0.31 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3dpt h ILE 815 Cb -0.10 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3dpt h ILE 815 CO -0.08 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.52 3dpt h ALA 816 N 1.06 1.71 -0.27 1.87 0.00 -0.75 -3.26 119.26 119.61 3dpt h ALA 816 Ca 0.15 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3dpt h ALA 816 Cb 0.11 -0.16 -0.26 0.00 0.00 0.00 0.00 17.79 17.48 3dpt h ALA 816 CO -0.02 0.26 -0.80 -1.33 0.00 0.00 0.00 179.25 177.37 3dpt n MET 817 N -4.47 1.84 -0.31 0.00 2.81 -0.37 -4.86 117.12 111.75 3dpt n MET 817 Ca 0.03 -3.31 0.11 0.00 -1.81 0.00 0.00 57.70 52.72 3dpt n MET 817 Cb 0.07 -1.46 0.28 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.58 0.57 0.00 0.03 3.07 -1.06 -1.10 115.11 118.20 3dpt h GLN 818 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3dpt h GLN 818 Cb 1.38 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3dpt h GLN 818 CO 0.26 0.38 0.00 0.72 0.09 0.00 0.00 178.83 180.27 3dpt n HIS 819 N -4.90 0.00 0.09 0.06 8.25 -1.26 -3.06 115.22 114.40 3dpt n HIS 819 Ca 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 3dpt n HIS 819 Cb 0.55 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.19 -0.18 -2.42 -0.41 6.02 -0.43 -4.98 117.38 113.81 3dpt n GLN 820 Ca 0.14 -0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 55.92 3dpt n GLN 820 Cb 0.15 -1.05 -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 -0.32 4.20 0.00 5.09 1.01 -1.16 -0.50 121.20 129.52 3dpt s ILE 821 Ca 0.03 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3dpt s ILE 821 Cb 0.02 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3dpt s ILE 821 CO 0.03 -0.05 0.05 -0.11 0.00 0.00 0.00 174.94 174.86 3dpt n LEU 822 N 5.72 0.00 -3.25 2.97 7.94 -0.37 -4.48 117.00 125.54 3dpt n LEU 822 Ca 0.12 0.05 -0.28 0.00 -1.11 0.00 0.00 56.01 54.78 3dpt n LEU 822 Cb 0.45 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.35 3dpt n LEU 822 CO 0.56 0.00 0.21 0.47 -1.11 0.00 0.00 177.39 177.52 3dpt n ASP 823 N -0.05 4.35 -2.37 1.96 10.43 -1.26 -4.73 116.55 124.88 3dpt n ASP 823 Ca 0.00 -3.56 -0.13 0.00 2.57 0.00 0.00 54.79 53.67 3dpt n ASP 823 Cb 0.00 -0.67 -0.01 0.00 1.84 0.00 0.00 41.12 42.28 3dpt n ASP 823 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3dpt n ARG 824 N 0.35 -2.15 -2.07 -1.24 5.12 -1.26 -4.86 116.66 110.57 3dpt n ARG 824 Ca 0.31 0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 56.43 3dpt n ARG 824 Cb 0.39 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.49 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 -2.75 3.04 -3.76 5.56 2.81 -1.26 -4.85 117.12 115.91 3dpt n MET 825 Ca -0.15 -2.92 -0.13 0.00 -1.81 0.00 0.00 57.70 52.69 3dpt n MET 825 Cb 0.60 -3.30 -0.12 0.00 -0.71 0.00 0.00 33.22 29.69 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 3.13 0.23 0.31 0.03 -2.07 -1.26 -0.50 119.66 119.53 3dpt s GLN 826 Ca 0.48 0.41 0.02 0.00 -1.82 0.00 0.00 55.36 54.45 3dpt s GLN 826 Cb 0.10 0.01 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 3dpt s GLN 826 CO -0.03 -0.09 0.33 1.67 -1.32 0.00 0.00 175.29 175.85 3dpt s TRP 827 N 0.65 1.38 0.40 9.60 -2.14 -0.08 -4.86 118.94 123.89 3dpt s TRP 827 Ca -0.04 -1.46 0.15 0.00 2.66 0.00 0.00 56.10 57.40 3dpt s TRP 827 Cb -0.06 -0.44 1.00 0.00 -3.10 0.00 0.00 33.47 30.88 3dpt s TRP 827 CO -0.04 -0.94 1.88 -0.09 -2.66 0.00 0.00 176.95 175.10 3dpt h ARG 828 N 2.20 0.47 -0.43 3.25 2.43 -1.30 -2.40 114.38 118.60 3dpt h ARG 828 Ca -0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3dpt h ARG 828 Cb 1.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3dpt h ARG 828 CO 0.39 0.31 0.00 0.66 -1.51 0.00 0.00 179.97 179.83 3dpt n TYR 829 N -4.52 0.61 0.00 2.20 4.01 -1.26 -4.79 117.16 113.42 3dpt n TYR 829 Ca 0.17 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 3dpt n TYR 829 Cb 0.59 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.71 -0.01 3.19 2.72 0.00 -0.91 0.08 105.19 110.97 3dpt n GLY 830 Ca 0.15 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3dpt n GLY 830 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dpt s MET 831 N -2.00 0.89 -0.20 1.61 -1.94 -0.75 -0.90 119.30 116.00 3dpt s MET 831 Ca 0.00 -1.28 -0.04 0.00 -1.71 0.00 0.00 55.69 52.66 3dpt s MET 831 Cb 0.00 -0.44 -0.02 0.00 2.01 0.00 0.00 34.83 36.39 3dpt s MET 831 CO 0.00 0.05 -0.04 0.08 -0.01 0.00 0.00 175.02 175.10 3dpt s VAL 832 N -3.02 3.59 -0.12 -6.03 1.01 0.34 -1.91 120.40 114.27 3dpt s VAL 832 Ca 0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 3dpt s VAL 832 Cb 0.01 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3dpt s VAL 832 CO -0.01 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.66 3dpt s LEU 833 N 1.09 2.89 -0.05 3.92 1.43 0.12 -1.23 118.68 126.84 3dpt s LEU 833 Ca 0.01 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3dpt s LEU 833 Cb -0.15 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3dpt s LEU 833 CO 0.00 0.22 -0.24 -0.75 0.23 0.00 0.00 176.35 175.81 3dpt s LYS 834 N 0.06 2.51 0.03 1.70 2.20 0.35 -0.25 119.74 126.34 3dpt s LYS 834 Ca -0.04 -0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 54.68 3dpt s LYS 834 Cb -0.14 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 3dpt s LYS 834 CO 0.04 0.42 0.19 -1.54 -0.36 0.00 0.00 175.35 174.10 3dpt s SER 835 N -0.25 6.32 -0.15 1.43 1.04 -1.06 -4.68 113.70 116.36 3dpt s SER 835 Ca -0.01 0.29 -0.15 0.00 0.48 0.00 0.00 55.95 56.56 3dpt s SER 835 Cb -0.13 -1.96 -0.24 0.00 0.10 0.00 0.00 66.02 63.79 3dpt s SER 835 CO 0.03 0.21 0.37 0.06 0.98 0.00 0.00 173.24 174.89 3dpt h GLN 836 N 3.41 0.16 0.00 4.02 -0.00 -1.91 -3.41 115.11 117.37 3dpt h GLN 836 Ca -0.47 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 57.91 3dpt h GLN 836 Cb 1.17 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3dpt h GLN 836 CO 0.73 1.13 0.00 -0.44 -0.00 0.00 0.00 178.83 180.25 3dpt h ASP 837 N -0.45 0.00 -2.09 0.06 3.32 -1.98 -2.84 116.42 112.44 3dpt h ASP 837 Ca -0.35 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.04 3dpt h ASP 837 Cb 1.67 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.85 3dpt h ASP 837 CO -0.03 0.00 -0.15 1.41 -1.72 0.00 0.00 179.24 178.75 3dpt n HIS 838 N -2.53 3.56 -0.26 4.55 8.25 -1.26 -5.03 115.22 122.50 3dpt n HIS 838 Ca 0.02 -3.36 -0.10 0.00 -0.26 0.00 0.00 57.72 54.02 3dpt n HIS 838 Cb 0.29 -0.61 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3dpt n HIS 838 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3dpt n GLU 839 N -0.29 0.00 0.00 -0.41 0.00 -1.07 -1.59 120.64 117.28 3dpt n GLU 839 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.54 3dpt n GLU 839 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 31.44 31.56 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 1.36 1.46 0.00 -1.84 0.00 -1.26 -4.92 105.19 99.98 3dpt n GLY 840 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.89 -0.13 -3.59 4.61 0.00 -0.62 -4.48 120.51 115.41 3dpt n ALA 841 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3dpt n ALA 841 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 1.44 0.07 0.00 2.96 -0.56 -2.56 118.68 120.04 3dpt s LEU 842 Ca 0.00 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3dpt s LEU 842 Cb 0.00 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 3dpt s LEU 842 CO 0.00 -0.03 -0.19 0.00 -1.32 0.00 0.00 176.35 174.81 3dpt s ALA 843 N 0.95 1.65 -0.10 5.97 0.00 0.65 -0.78 121.76 130.10 3dpt s ALA 843 Ca -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3dpt s ALA 843 Cb -0.15 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3dpt s ALA 843 CO 0.00 0.34 -0.15 0.21 0.00 0.00 0.00 175.76 176.16 3dpt s LYS 844 N -1.56 2.19 -0.15 0.00 2.20 -0.05 0.11 119.74 122.48 3dpt s LYS 844 Ca 0.05 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3dpt s LYS 844 Cb -0.09 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 3dpt s LYS 844 CO 0.03 -0.04 -0.18 0.08 -0.36 0.00 0.00 175.35 174.88 3dpt s VAL 845 N 0.91 2.41 -0.03 4.02 1.01 -0.80 -1.80 120.40 126.11 3dpt s VAL 845 Ca -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3dpt s VAL 845 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3dpt s VAL 845 CO -0.00 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.88 3dpt s VAL 846 N 0.87 0.55 -0.05 2.92 1.01 -0.68 -1.81 120.40 123.20 3dpt s VAL 846 Ca -0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3dpt s VAL 846 Cb -0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3dpt s VAL 846 CO -0.02 0.20 0.32 0.00 0.00 0.00 0.00 175.10 175.61 3dpt s ALA 847 N 0.57 3.74 -0.34 5.51 0.00 0.11 -0.94 121.76 130.41 3dpt s ALA 847 Ca -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.56 3dpt s ALA 847 Cb -0.11 -2.26 0.10 0.00 0.00 0.00 0.00 23.12 20.85 3dpt s ALA 847 CO 0.00 0.49 0.05 -2.00 0.00 0.00 0.00 175.76 174.30 3dpt s GLU 848 N -0.93 1.44 0.15 0.00 2.56 0.28 -4.90 118.70 117.29 3dpt s GLU 848 Ca 0.21 -1.82 -0.22 0.00 0.00 0.00 0.00 54.97 53.14 3dpt s GLU 848 Cb -0.15 -3.12 0.02 0.00 2.00 0.00 0.00 34.13 32.88 3dpt s GLU 848 CO 0.10 -0.94 1.64 1.15 -0.56 0.00 0.00 175.26 176.65 3dpt h THR 849 N 6.60 0.44 0.00 -1.70 2.02 -1.98 -0.69 112.91 117.61 3dpt h THR 849 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3dpt h THR 849 Cb 1.02 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3dpt h THR 849 CO 0.52 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.52 3dpt h LYS 850 N -0.23 0.00 -0.01 6.66 6.56 -1.97 -2.78 116.57 124.81 3dpt h LYS 850 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3dpt h LYS 850 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 3dpt h LYS 850 CO -0.36 0.00 -0.16 -0.25 -2.06 0.00 0.00 179.45 176.63 3dpt n ASP 851 N -3.07 1.07 -3.82 0.86 8.00 -0.73 -5.00 116.55 113.85 3dpt n ASP 851 Ca -0.03 -1.04 -0.25 0.00 0.71 0.00 0.00 54.79 54.18 3dpt n ASP 851 Cb 0.07 0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3dpt n ASP 851 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dpt n SER 852 N -0.28 -2.41 -4.23 -2.24 7.64 -0.34 -4.77 113.62 106.98 3dpt n SER 852 Ca 0.03 -0.83 -0.26 0.00 1.01 0.00 0.00 58.87 58.82 3dpt n SER 852 Cb 0.16 -3.84 -0.15 0.00 -1.01 0.00 0.00 64.21 59.38 3dpt n SER 852 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3dpt s THR 853 N -3.56 1.62 -0.15 0.44 -4.23 -1.13 -0.36 115.64 108.27 3dpt s THR 853 Ca 0.26 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3dpt s THR 853 Cb -0.13 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 3dpt s THR 853 CO 0.83 0.29 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.49 3dpt s ILE 854 N -0.68 3.44 -0.12 2.99 1.01 -0.08 -0.56 121.20 127.19 3dpt s ILE 854 Ca 0.07 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3dpt s ILE 854 Cb -0.08 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 3dpt s ILE 854 CO 0.01 0.50 -0.19 -0.89 0.00 0.00 0.00 174.94 174.37 3dpt s THR 855 N 0.49 2.48 -0.17 2.92 2.01 -0.12 -0.02 115.64 123.23 3dpt s THR 855 Ca -0.06 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3dpt s THR 855 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3dpt s THR 855 CO 0.04 0.54 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.82 3dpt s ILE 856 N 0.46 3.59 -0.04 1.82 1.01 -0.06 -1.69 121.20 126.29 3dpt s ILE 856 Ca -0.13 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3dpt s ILE 856 Cb -0.17 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 3dpt s ILE 856 CO 0.06 0.47 -0.16 0.00 0.00 0.00 0.00 174.94 175.31 3dpt s ALA 857 N 0.71 1.41 -0.02 9.38 0.00 -0.74 -1.04 121.76 131.45 3dpt s ALA 857 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3dpt s ALA 857 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3dpt s ALA 857 CO 0.02 0.25 -0.03 0.42 0.00 0.00 0.00 175.76 176.42 3dpt s ILE 858 N 0.07 0.33 0.16 0.00 1.01 -0.68 -0.87 121.20 121.22 3dpt s ILE 858 Ca -0.04 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.61 3dpt s ILE 858 Cb -0.11 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3dpt s ILE 858 CO 0.02 0.13 -0.23 -1.10 0.00 0.00 0.00 174.94 173.76 3dpt s GLN 859 N 0.35 1.37 0.00 2.79 -0.21 0.04 -1.48 119.66 122.51 3dpt s GLN 859 Ca -0.04 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 53.95 3dpt s GLN 859 Cb -0.07 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.27 3dpt s GLN 859 CO -0.00 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 3dpt n GLY 860 N 0.58 0.95 3.48 3.09 0.00 -1.26 -1.49 105.19 110.54 3dpt n GLY 860 Ca -0.15 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.03 0.38 -0.23 1.61 -0.58 -1.26 -4.67 120.64 114.86 3dpt n GLU 861 Ca 0.00 0.17 -0.08 0.00 -0.42 0.00 0.00 57.16 56.83 3dpt n GLU 861 Cb 0.00 -1.85 0.03 0.00 -0.57 0.00 0.00 31.44 29.05 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 -0.22 1.05 -0.68 3.49 0.11 -2.00 -1.87 132.00 131.87 3dpt h PRO 862 Ca -0.46 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 65.36 3dpt h PRO 862 Cb 1.36 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3dpt h PRO 862 CO 0.44 0.96 0.32 -0.09 -0.21 0.00 0.00 178.00 179.42 3dpt h ARG 863 N 0.97 0.98 -0.37 1.05 2.43 -2.01 -3.07 114.38 114.36 3dpt h ARG 863 Ca 0.20 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3dpt h ARG 863 Cb 0.41 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3dpt h ARG 863 CO 0.01 0.78 0.21 0.00 -1.51 0.00 0.00 179.97 179.45 3dpt h LYS 865 N 0.42 0.76 -0.55 0.00 1.57 -1.31 -0.58 116.57 116.88 3dpt h LYS 865 Ca 0.15 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3dpt h LYS 865 Cb 0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3dpt h LYS 865 CO -0.08 0.50 0.10 0.00 -0.57 0.00 0.00 179.45 179.41 3dpt h ARG 866 N 0.78 0.91 -0.34 3.15 3.08 -1.43 -2.21 114.38 118.32 3dpt h ARG 866 Ca 0.28 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 3dpt h ARG 866 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3dpt h ARG 866 CO -0.13 0.87 -0.37 0.93 -1.07 0.00 0.00 179.97 180.20 3dpt h GLU 867 N 0.80 0.79 -0.11 0.04 5.08 -0.90 -2.36 114.58 117.92 3dpt h GLU 867 Ca 0.17 -0.40 -0.20 0.00 -1.00 0.00 0.00 59.36 57.94 3dpt h GLU 867 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dpt h GLU 867 CO 0.01 1.03 -0.74 -0.92 -1.00 0.00 0.00 179.01 177.39 3dpt h TYR 868 N 0.65 0.72 -0.80 4.33 3.20 -1.06 -2.51 116.97 121.50 3dpt h TYR 868 Ca 0.06 -0.32 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 3dpt h TYR 868 Cb 0.92 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3dpt h TYR 868 CO 0.05 1.09 0.47 1.25 -1.64 0.00 0.00 178.16 179.38 3dpt h LEU 869 N 0.37 0.98 -0.73 2.82 5.85 -1.41 -0.89 115.31 122.30 3dpt h LEU 869 Ca -0.04 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.72 3dpt h LEU 869 Cb 1.33 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3dpt h LEU 869 CO 0.14 0.77 0.32 -1.28 -0.34 0.00 0.00 178.44 178.05 3dpt h SER 870 N 1.10 0.37 0.10 1.25 0.87 -1.19 -0.57 113.55 115.48 3dpt h SER 870 Ca 0.28 0.08 -0.28 0.00 -1.23 0.00 0.00 61.79 60.65 3dpt h SER 870 Cb -0.01 0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3dpt h SER 870 CO -0.05 0.18 -1.15 0.16 -0.53 0.00 0.00 176.83 175.44 3dpt h ILE 871 N 0.52 1.30 -0.70 2.23 3.07 -0.96 -2.29 117.51 120.68 3dpt h ILE 871 Ca 0.38 -2.40 0.01 0.00 1.55 0.00 0.00 64.86 64.40 3dpt h ILE 871 Cb 0.49 2.66 -0.04 0.00 -0.27 0.00 0.00 36.82 39.67 3dpt h ILE 871 CO -0.33 0.73 0.46 0.40 -1.05 0.00 0.00 178.15 178.35 3dpt h ILE 872 N 0.24 1.16 -0.25 0.16 2.04 -0.92 -0.59 117.51 119.34 3dpt h ILE 872 Ca -0.17 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 3dpt h ILE 872 Cb 1.83 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3dpt h ILE 872 CO 0.22 0.17 -0.36 -0.25 0.00 0.00 0.00 178.15 177.93 3dpt h TRP 873 N 0.92 0.65 -0.52 1.37 7.01 -1.15 -0.88 115.95 123.35 3dpt h TRP 873 Ca 0.26 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3dpt h TRP 873 Cb -0.08 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 3dpt h TRP 873 CO -0.03 0.84 0.29 -0.92 -2.79 0.00 0.00 178.44 175.83 3dpt h TYR 874 N 0.47 0.72 -0.50 2.65 3.20 -0.90 0.13 116.97 122.73 3dpt h TYR 874 Ca 0.05 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3dpt h TYR 874 Cb 0.84 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3dpt h TYR 874 CO 0.03 0.53 0.27 0.93 -1.64 0.00 0.00 178.16 178.29 3dpt h GLU 875 N 0.70 0.71 -0.04 1.82 4.39 -0.48 -2.39 114.58 119.28 3dpt h GLU 875 Ca 0.18 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3dpt h GLU 875 Cb 0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3dpt h GLU 875 CO -0.03 0.55 -0.47 0.82 -1.16 0.00 0.00 179.01 178.73 3dpt h ILE 876 N 0.67 1.34 -0.60 3.13 2.04 -0.98 -2.49 117.51 120.61 3dpt h ILE 876 Ca 0.18 -1.63 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 3dpt h ILE 876 Cb 0.05 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3dpt h ILE 876 CO -0.03 0.48 0.11 0.11 0.00 0.00 0.00 178.15 178.82 3dpt h LYS 877 N 0.08 0.96 -0.35 2.37 1.57 -0.50 -0.49 116.57 120.20 3dpt h LYS 877 Ca 0.00 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3dpt h LYS 877 Cb 0.86 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3dpt h LYS 877 CO 0.07 0.87 0.09 0.87 -0.57 0.00 0.00 179.45 180.78 3dpt h LYS 878 N 0.91 0.56 0.25 3.15 1.57 -1.13 -1.83 116.57 120.05 3dpt h LYS 878 Ca 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3dpt h LYS 878 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3dpt h LYS 878 CO 0.01 0.61 -0.12 0.82 -0.57 0.00 0.00 179.45 180.19 3dpt h ILE 879 N 0.42 0.77 -0.75 1.86 2.04 -1.31 -2.78 117.51 117.76 3dpt h ILE 879 Ca 0.11 -0.12 0.17 0.00 1.00 0.00 0.00 64.86 66.02 3dpt h ILE 879 Cb 0.29 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3dpt h ILE 879 CO 0.00 0.03 0.51 0.78 0.00 0.00 0.00 178.15 179.47 3dpt h ASN 880 N -0.40 0.30 0.20 1.72 2.35 -1.03 -2.43 115.58 116.29 3dpt h ASN 880 Ca -0.03 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dpt h ASN 880 Cb 0.31 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3dpt h ASN 880 CO 0.06 0.14 -0.01 0.00 -1.65 0.00 0.00 177.43 175.97 3dpt h ALA 881 N 1.65 1.11 0.00 -0.83 0.00 -1.03 -1.77 119.26 118.38 3dpt h ALA 881 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3dpt h ALA 881 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dpt h ALA 881 CO -0.10 0.02 0.00 -0.91 0.00 0.00 0.00 179.25 178.26 3dpt h ASN 882 N 0.00 0.00 -3.61 0.00 2.35 -1.54 -3.43 115.58 109.35 3dpt h ASN 882 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 3dpt h ASN 882 Cb 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 3dpt h ASN 882 CO 0.00 0.00 -0.42 -0.36 -1.65 0.00 0.00 177.43 175.01 3dpt s PHE 883 N -3.19 3.31 0.15 1.19 0.08 -0.67 -5.00 117.98 113.85 3dpt s PHE 883 Ca 0.08 0.32 -0.22 0.00 0.12 0.00 0.00 56.93 57.23 3dpt s PHE 883 Cb 0.11 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 3dpt s PHE 883 CO 0.53 -0.00 1.64 1.15 -0.10 0.00 0.00 175.22 178.44 3dpt h THR 884 N 5.09 0.44 -0.11 0.64 2.02 -1.87 -3.32 112.91 115.81 3dpt h THR 884 Ca -0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3dpt h THR 884 Cb 1.17 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3dpt h THR 884 CO 0.66 0.00 -0.22 0.59 0.37 0.00 0.00 175.52 176.92 3dpt n ASN 885 N -5.36 2.29 -4.77 4.18 3.02 -1.26 -5.02 115.26 108.34 3dpt n ASN 885 Ca -0.01 -3.57 -0.39 0.00 -0.03 0.00 0.00 54.58 50.57 3dpt n ASN 885 Cb 0.27 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 3dpt n ASN 885 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dpt s LEU 886 N -3.10 4.22 -0.27 3.41 1.43 -1.25 -4.95 118.68 118.16 3dpt s LEU 886 Ca 0.38 2.65 0.02 0.00 -1.03 0.00 0.00 54.13 56.16 3dpt s LEU 886 Cb 0.35 -3.90 0.07 0.00 0.03 0.00 0.00 46.19 42.74 3dpt s LEU 886 CO -0.01 -0.84 -0.04 -0.62 0.23 0.00 0.00 176.35 175.07 3dpt s ASP 887 N -0.73 4.21 -0.22 2.29 -1.08 -1.26 -5.03 116.67 114.85 3dpt s ASP 887 Ca 0.57 -1.46 -0.04 0.00 -0.52 0.00 0.00 52.55 51.10 3dpt s ASP 887 Cb -0.38 -1.35 -0.01 0.00 -1.46 0.00 0.00 42.92 39.73 3dpt s ASP 887 CO 0.49 -0.26 -0.05 -0.69 0.52 0.00 0.00 175.17 175.18 3dpt s VAL 888 N 1.23 3.34 -0.11 1.11 1.01 -1.26 -1.49 120.40 124.23 3dpt s VAL 888 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3dpt s VAL 888 Cb -0.19 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3dpt s VAL 888 CO -0.08 0.43 -0.04 -0.54 0.00 0.00 0.00 175.10 174.87 3dpt s LYS 889 N 1.42 3.24 -0.07 2.72 1.02 -0.33 -4.95 119.74 122.78 3dpt s LYS 889 Ca 0.05 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 55.41 3dpt s LYS 889 Cb -0.14 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 3dpt s LYS 889 CO -0.03 0.47 0.31 -1.21 -0.92 0.00 0.00 175.35 173.97 3dpt s GLU 890 N -0.26 3.88 0.10 1.68 8.01 -1.26 -0.62 118.70 130.23 3dpt s GLU 890 Ca 0.04 0.19 0.07 0.00 0.01 0.00 0.00 54.97 55.28 3dpt s GLU 890 Cb -0.13 -3.27 -0.03 0.00 -4.31 0.00 0.00 34.13 26.39 3dpt s GLU 890 CO 0.02 0.59 -0.17 -0.06 0.01 0.00 0.00 175.26 175.66 3dpt s PHE 891 N -0.64 1.50 -0.03 1.61 0.40 0.23 -0.80 117.98 120.24 3dpt s PHE 891 Ca 0.20 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 3dpt s PHE 891 Cb -0.14 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 3dpt s PHE 891 CO 0.08 0.15 -0.26 0.42 0.70 0.00 0.00 175.22 176.32 3dpt s ILE 892 N -1.55 2.05 0.24 0.64 -1.09 -0.03 -0.55 121.20 120.92 3dpt s ILE 892 Ca 0.05 -1.09 -0.30 0.00 -2.23 0.00 0.00 60.65 57.08 3dpt s ILE 892 Cb -0.08 -1.71 -0.09 0.00 -1.58 0.00 0.00 42.46 39.00 3dpt s ILE 892 CO 0.03 0.58 1.22 -2.84 -1.23 0.00 0.00 174.94 172.70 3dpt s PRO 893 N -0.43 4.48 0.29 2.79 0.02 -1.26 -0.55 135.00 140.33 3dpt s PRO 893 Ca 0.05 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.74 3dpt s PRO 893 Cb -0.11 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.12 3dpt s PRO 893 CO 0.01 -0.07 1.41 -0.51 -0.33 0.00 0.00 177.00 177.50 3dpt s LEU 894 N -0.84 4.39 0.11 -5.54 1.02 -0.20 -4.88 118.68 112.74 3dpt s LEU 894 Ca 0.51 2.72 -0.31 0.00 0.02 0.00 0.00 54.13 57.06 3dpt s LEU 894 Cb -0.35 -3.64 -0.10 0.00 0.02 0.00 0.00 46.19 42.13 3dpt s LEU 894 CO 0.42 -0.67 1.75 -2.16 0.02 0.00 0.00 176.35 175.70 3dpt s PRO 895 N -0.95 4.16 0.00 1.29 0.04 -1.26 -1.60 135.00 136.69 3dpt s PRO 895 Ca 0.56 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3dpt s PRO 895 Cb -0.42 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.57 3dpt s PRO 895 CO 0.48 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 177.14 3dpt n GLY 896 N 4.11 1.23 2.29 0.56 0.00 -1.26 -4.94 105.19 107.18 3dpt n GLY 896 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 -0.07 0.21 1.61 8.25 -0.62 -4.99 115.22 117.60 3dpt n HIS 897 Ca 0.00 -3.56 0.18 0.00 -0.26 0.00 0.00 57.72 54.08 3dpt n HIS 897 Cb 0.00 -0.21 0.83 0.00 1.12 0.00 0.00 29.99 31.74 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 4.52 0.00 -0.01 -0.41 0.11 -1.93 0.50 132.00 134.77 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 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dpt h PRO 898 CO 0.48 0.00 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.58 3dpt n ASP 899 N -3.57 1.74 -4.42 -2.05 8.00 -1.26 -4.81 116.55 110.17 3dpt n ASP 899 Ca 0.02 -1.34 -0.39 0.00 0.71 0.00 0.00 54.79 53.80 3dpt n ASP 899 Cb 0.39 0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.77 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 -2.50 3.24 0.10 -1.24 0.41 0.17 -5.08 118.70 113.80 3dpt s GLU 900 Ca 0.20 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 54.00 3dpt s GLU 900 Cb 0.18 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.91 3dpt s GLU 900 CO 0.57 -0.47 0.16 -0.51 -0.49 0.00 0.00 175.26 174.52 3dpt s LEU 901 N 1.60 4.03 -0.04 1.80 1.43 -1.26 -1.03 118.68 125.20 3dpt s LEU 901 Ca 0.04 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3dpt s LEU 901 Cb -0.17 -2.66 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 3dpt s LEU 901 CO 0.06 0.13 -0.18 0.54 0.23 0.00 0.00 176.35 177.14 3dpt s VAL 902 N -1.54 1.48 0.16 -1.59 0.11 0.28 -4.88 120.40 114.43 3dpt s VAL 902 Ca 0.32 -0.75 -0.32 0.00 -2.93 0.00 0.00 61.98 58.30 3dpt s VAL 902 Cb -0.12 -1.27 -0.10 0.00 -1.53 0.00 0.00 36.38 33.36 3dpt s VAL 902 CO 0.25 0.43 1.61 -0.70 -3.33 0.00 0.00 175.10 173.36 3dpt s GLU 903 N -0.02 4.19 0.20 1.54 2.12 -1.26 -0.85 118.70 124.62 3dpt s GLU 903 Ca -0.03 2.41 -0.09 0.00 0.36 0.00 0.00 54.97 57.62 3dpt s GLU 903 Cb -0.11 -3.21 0.12 0.00 0.26 0.00 0.00 34.13 31.18 3dpt s GLU 903 CO 0.02 -0.66 1.73 -0.92 -0.54 0.00 0.00 175.26 174.90 3dpt h TYR 904 N 7.06 1.14 0.00 5.30 3.20 -1.31 -2.19 116.97 130.18 3dpt h TYR 904 Ca -0.43 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.31 3dpt h TYR 904 Cb 1.20 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 3dpt h TYR 904 CO 0.67 0.91 -0.08 0.87 -1.64 0.00 0.00 178.16 178.89 3dpt h LYS 905 N 1.05 0.00 -0.17 1.82 1.79 -1.92 -2.46 116.57 116.68 3dpt h LYS 905 Ca 0.23 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 3dpt h LYS 905 Cb 0.30 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3dpt h LYS 905 CO -0.01 0.08 0.04 0.93 -1.08 0.00 0.00 179.45 179.41 3dpt h GLU 906 N 0.00 0.11 -0.45 3.15 4.39 -1.77 -1.46 114.58 118.55 3dpt h GLU 906 Ca -0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3dpt h GLU 906 Cb 0.54 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3dpt h GLU 906 CO 0.01 0.08 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.65 3dpt h LEU 907 N 0.12 0.93 -0.27 1.33 3.38 -1.35 0.85 115.31 120.30 3dpt h LEU 907 Ca 0.08 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3dpt h LEU 907 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3dpt h LEU 907 CO -0.09 1.11 0.16 -0.07 0.09 0.00 0.00 178.44 179.64 3dpt h LEU 908 N 0.79 0.32 -0.14 1.67 3.38 -1.49 0.13 115.31 119.97 3dpt h LEU 908 Ca 0.10 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3dpt h LEU 908 Cb 0.77 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3dpt h LEU 908 CO 0.06 0.27 -0.22 1.23 0.09 0.00 0.00 178.44 179.86 3dpt h GLY 909 N 0.34 -0.21 0.55 0.83 0.00 -0.94 0.23 103.07 103.86 3dpt h GLY 909 Ca 0.10 0.28 0.09 0.00 0.00 0.00 0.00 47.33 47.79 3dpt h GLY 909 CO -0.02 -0.19 0.47 1.41 0.00 0.00 0.00 176.54 178.21 3dpt h LEU 910 N -0.28 0.69 0.88 3.11 3.38 -0.47 -1.46 115.31 121.16 3dpt h LEU 910 Ca 0.10 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dpt h LEU 910 Cb 0.43 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dpt h LEU 910 CO -0.30 0.40 -0.42 -0.08 0.09 0.00 0.00 178.44 178.12 3dpt h GLU 911 N 0.81 -1.14 -1.40 1.13 4.81 -0.21 -0.74 114.58 117.84 3dpt h GLU 911 Ca 0.39 0.08 0.42 0.00 -0.13 0.00 0.00 59.36 60.12 3dpt h GLU 911 Cb 0.34 0.26 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 3dpt h GLU 911 CO -0.24 -0.76 0.96 0.87 -0.73 0.00 0.00 179.01 179.11 3dpt h LYS 912 N -1.30 0.09 -0.48 1.92 1.57 -0.07 1.34 116.57 119.64 3dpt h LYS 912 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3dpt h LYS 912 Cb 0.91 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3dpt h LYS 912 CO 0.20 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 3dpt n MET 913 N -4.38 2.28 -2.67 3.15 0.00 -0.60 -4.96 117.12 109.94 3dpt n MET 913 Ca 0.34 -1.97 -0.05 0.00 0.00 0.00 0.00 57.70 56.02 3dpt n MET 913 Cb 1.44 -1.45 0.01 0.00 0.00 0.00 0.00 33.22 33.22 3dpt n MET 913 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dpt n GLY 914 N 1.39 0.61 3.49 3.17 0.00 0.46 -5.05 105.19 109.26 3dpt n GLY 914 Ca 0.19 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -5.18 3.18 0.00 1.61 1.81 -0.32 -5.00 118.95 115.05 3dpt s ARG 915 Ca 0.11 -0.59 0.20 0.00 -1.72 0.00 0.00 55.73 53.73 3dpt s ARG 915 Cb -0.05 -2.68 -0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3dpt s ARG 915 CO 0.14 0.41 1.01 -3.47 -0.68 0.00 0.00 175.30 172.71 3dpt n ASP 916 N 2.99 1.92 -4.71 0.23 2.03 -1.26 -4.10 116.55 113.65 3dpt n ASP 916 Ca -0.18 -1.46 -0.35 0.00 0.52 0.00 0.00 54.79 53.32 3dpt n ASP 916 Cb 0.53 0.47 -0.08 0.00 -0.72 0.00 0.00 41.12 41.31 3dpt n ASP 916 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3dpt s GLU 917 N -2.28 4.14 -0.27 -0.67 2.02 -1.26 0.09 118.70 120.46 3dpt s GLU 917 Ca 0.17 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 54.81 3dpt s GLU 917 Cb 0.16 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 3dpt s GLU 917 CO 0.51 0.26 0.17 -0.47 0.02 0.00 0.00 175.26 175.75 3dpt s TYR 918 N 0.46 3.20 -0.18 1.61 5.04 0.65 -4.81 117.35 123.31 3dpt s TYR 918 Ca 0.07 0.02 -0.09 0.00 -2.44 0.00 0.00 57.07 54.63 3dpt s TYR 918 Cb -0.12 -2.35 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 3dpt s TYR 918 CO -0.01 -0.20 0.11 0.08 -1.34 0.00 0.00 175.55 174.20 3dpt s VAL 919 N 1.73 5.27 -0.37 3.14 1.01 -1.26 -0.71 120.40 129.22 3dpt s VAL 919 Ca 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3dpt s VAL 919 Cb -0.16 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.91 3dpt s VAL 919 CO 0.10 0.47 0.14 -0.55 0.00 0.00 0.00 175.10 175.26 3dpt s SER 920 N 0.15 5.24 0.08 3.32 0.15 -0.64 -4.97 113.70 117.02 3dpt s SER 920 Ca 0.08 -1.54 -0.18 0.00 0.70 0.00 0.00 55.95 55.01 3dpt s SER 920 Cb -0.11 -1.83 -0.09 0.00 -1.71 0.00 0.00 66.02 62.27 3dpt s SER 920 CO -0.01 -0.42 1.45 1.23 1.20 0.00 0.00 173.24 176.69 3dpt h GLY 921 N 8.13 0.57 0.37 9.45 0.00 -1.97 0.12 103.07 119.75 3dpt h GLY 921 Ca -0.19 -0.51 0.17 0.00 0.00 0.00 0.00 47.33 46.80 3dpt h GLY 921 CO 0.64 0.46 0.60 1.70 0.00 0.00 0.00 176.54 179.94 3dpt h LYS 922 N 0.25 0.66 0.00 4.80 1.63 -1.96 -2.12 116.57 119.83 3dpt h LYS 922 Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3dpt h LYS 922 Cb 0.62 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3dpt h LYS 922 CO 0.04 0.44 -1.30 1.28 -3.45 0.00 0.00 179.45 176.45 3dpt n LEU 923 N -4.60 0.58 -3.48 5.20 4.77 -1.14 -4.98 117.00 113.35 3dpt n LEU 923 Ca 0.19 -0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 3dpt n LEU 923 Cb 0.53 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3dpt n LEU 923 CO 0.28 0.11 0.01 -0.62 -1.33 0.00 0.00 177.39 175.84 3dpt n GLU 924 N -1.86 -4.15 -4.29 3.23 1.02 0.40 -5.00 120.64 109.99 3dpt n GLU 924 Ca 0.01 0.57 -0.22 0.00 -0.02 0.00 0.00 57.16 57.50 3dpt n GLU 924 Cb 0.43 -5.35 -0.12 0.00 -0.02 0.00 0.00 31.44 26.38 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 -6.15 1.15 -0.04 3.49 3.01 -1.10 -5.01 119.74 115.08 3dpt s LYS 925 Ca 0.47 -1.25 0.02 0.00 -1.01 0.00 0.00 55.97 54.20 3dpt s LYS 925 Cb -0.24 -1.29 -0.03 0.00 -1.01 0.00 0.00 37.83 35.26 3dpt s LYS 925 CO 0.57 0.28 -0.10 0.08 0.51 0.00 0.00 175.35 176.70 3dpt s VAL 926 N -1.58 3.44 0.12 3.17 1.01 -1.26 -1.62 120.40 123.67 3dpt s VAL 926 Ca 0.10 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3dpt s VAL 926 Cb -0.08 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3dpt s VAL 926 CO 0.05 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.17 3dpt s PHE 927 N -0.82 1.57 -0.23 5.22 0.40 0.12 -4.98 117.98 119.26 3dpt s PHE 927 Ca 0.13 -0.48 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 3dpt s PHE 927 Cb -0.11 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 3dpt s PHE 927 CO 0.02 0.19 0.76 0.45 0.70 0.00 0.00 175.22 177.35 3dpt s SER 928 N -2.24 6.77 0.09 1.36 0.15 -1.26 -0.25 113.70 118.33 3dpt s SER 928 Ca 0.08 0.96 -0.24 0.00 0.70 0.00 0.00 55.95 57.44 3dpt s SER 928 Cb -0.07 -2.41 -0.13 0.00 -1.71 0.00 0.00 66.02 61.70 3dpt s SER 928 CO 0.04 -0.44 1.71 0.58 1.20 0.00 0.00 173.24 176.33 3dpt h VAL 929 N 5.37 0.84 -0.09 4.45 2.07 -0.67 -2.69 116.25 125.53 3dpt h VAL 929 Ca -0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3dpt h VAL 929 Cb 1.11 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3dpt h VAL 929 CO 0.84 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.20 3dpt h SER 930 N -0.16 0.16 -0.93 0.57 4.64 -1.90 -1.62 113.55 114.31 3dpt h SER 930 Ca 0.00 -0.30 0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3dpt h SER 930 Cb 0.15 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.10 3dpt h SER 930 CO -0.02 0.41 0.53 0.11 -0.87 0.00 0.00 176.83 177.00 3dpt h LYS 931 N -0.11 0.73 -0.12 4.77 6.56 -1.93 0.78 116.57 127.26 3dpt h LYS 931 Ca 0.03 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.40 3dpt h LYS 931 Cb 0.33 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.83 3dpt h LYS 931 CO 0.00 0.48 -0.59 0.52 -2.06 0.00 0.00 179.45 177.81 3dpt h MET 932 N 0.75 0.60 -0.89 3.15 2.07 -1.28 -3.01 114.93 116.33 3dpt h MET 932 Ca 0.50 -0.49 0.06 0.00 -2.07 0.00 0.00 59.70 57.70 3dpt h MET 932 Cb 0.68 0.10 -0.06 0.00 -1.87 0.00 0.00 31.60 30.45 3dpt h MET 932 CO -0.34 1.12 0.56 -0.07 1.07 0.00 0.00 176.91 179.24 3dpt h LEU 933 N 0.24 0.88 -1.79 1.22 3.38 -0.92 -2.87 115.31 115.46 3dpt h LEU 933 Ca -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dpt h LEU 933 Cb 1.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3dpt h LEU 933 CO 0.12 0.57 -0.16 0.44 0.09 0.00 0.00 178.44 179.51 3dpt h ASP 934 N 1.02 0.00 0.62 -0.43 3.32 -0.79 -0.72 116.42 119.45 3dpt h ASP 934 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3dpt h ASP 934 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3dpt h ASP 934 CO -0.17 0.16 0.00 -1.54 -1.72 0.00 0.00 179.24 175.97 3dpt n SER 935 N -3.83 0.31 0.00 6.45 3.41 -1.08 -3.80 113.62 115.07 3dpt n SER 935 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3dpt n SER 935 Cb 0.25 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 -1.84 0.00 -3.69 -3.33 0.31 -0.85 -4.84 118.33 104.09 3dpt n VAL 936 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 3dpt n VAL 936 Cb 0.20 -0.59 -0.09 0.00 -0.91 0.00 0.00 33.84 32.45 3dpt n VAL 936 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3dpt s ILE 937 N -1.76 -0.01 1.28 2.52 2.07 -0.33 -4.78 121.20 120.20 3dpt s ILE 937 Ca 0.00 0.03 -0.20 0.00 -1.41 0.00 0.00 60.65 59.07 3dpt s ILE 937 Cb 0.00 -0.70 0.32 0.00 0.13 0.00 0.00 42.46 42.20 3dpt s ILE 937 CO 0.00 0.01 1.03 -0.44 -1.91 0.00 0.00 174.94 173.63 3dpt s SER 938 N 0.77 0.17 -0.32 4.50 0.01 -1.26 -3.81 113.70 113.76 3dpt s SER 938 Ca -0.04 0.83 -0.29 0.00 1.31 0.00 0.00 55.95 57.76 3dpt s SER 938 Cb -0.05 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 3dpt s SER 938 CO -0.06 -4.60 1.62 -1.59 0.41 0.00 0.00 173.24 169.02 3dpt s LYS 939 N -5.16 3.55 0.00 12.44 0.00 -1.26 -4.96 119.74 124.35 3dpt s LYS 939 Ca 0.69 1.36 0.05 0.00 0.00 0.00 0.00 55.97 58.07 3dpt s LYS 939 Cb -0.13 -4.09 0.04 0.00 0.00 0.00 0.00 37.83 33.64 3dpt s LYS 939 CO 0.58 -1.59 0.65 0.39 0.00 0.00 0.00 175.35 175.38