#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aug s GLU 632 N 0.00 0.27 -0.07 3.17 2.12 -1.26 -4.63 118.70 118.29 1aug s GLU 632 Ca 0.00 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.02 1aug s GLU 632 Cb 0.00 -0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.32 1aug s GLU 632 CO 0.00 -0.17 -0.21 0.15 -0.54 0.00 0.00 175.26 174.49 1aug s LYS 633 N 1.41 2.46 -0.17 4.30 -0.14 0.12 -5.02 119.74 122.70 1aug s LYS 633 Ca -0.09 -0.75 -0.22 0.00 -1.36 0.00 0.00 55.97 53.55 1aug s LYS 633 Cb -0.10 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 34.06 1aug s LYS 633 CO -0.10 0.21 0.69 0.21 -0.76 0.00 0.00 175.35 175.61 1aug s LYS 634 N 0.22 4.26 -0.33 1.68 2.47 -1.26 -1.65 119.74 125.13 1aug s LYS 634 Ca -0.12 0.76 -0.08 0.00 -1.56 0.00 0.00 55.97 54.98 1aug s LYS 634 Cb -0.15 -3.56 0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1aug s LYS 634 CO 0.06 -0.23 0.12 0.08 0.16 0.00 0.00 175.35 175.54 1aug s VAL 635 N 1.84 4.03 -0.23 4.02 1.01 0.44 -0.68 120.40 130.84 1aug s VAL 635 Ca 0.32 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1aug s VAL 635 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1aug s VAL 635 CO 0.12 -0.10 0.78 -0.22 0.00 0.00 0.00 175.10 175.67 1aug s LEU 636 N 1.47 4.10 -0.08 3.92 0.20 -0.50 -1.06 118.68 126.73 1aug s LEU 636 Ca 0.01 0.98 -0.00 0.00 0.69 0.00 0.00 54.13 55.81 1aug s LEU 636 Cb -0.19 -3.11 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 1aug s LEU 636 CO 0.04 -0.45 -0.05 -0.76 -0.29 0.00 0.00 176.35 174.84 1aug s LEU 637 N 2.58 3.26 0.23 -0.68 1.02 -0.25 -1.02 118.68 123.82 1aug s LEU 637 Ca 0.33 0.00 0.09 0.00 0.02 0.00 0.00 54.13 54.58 1aug s LEU 637 Cb -0.16 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 1aug s LEU 637 CO 0.09 0.35 -0.17 0.42 0.02 0.00 0.00 176.35 177.06 1aug s THR 638 N -0.75 2.03 0.04 5.49 -4.23 -0.86 -1.41 115.64 115.95 1aug s THR 638 Ca 0.11 -2.27 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1aug s THR 638 Cb -0.11 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1aug s THR 638 CO 0.02 -0.50 -0.01 -0.83 -0.54 0.00 0.00 174.62 172.76 1aug s GLY 639 N -3.34 0.35 0.28 3.99 0.00 -0.97 -1.74 107.32 105.89 1aug s GLY 639 Ca 0.25 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 1aug s GLY 639 CO 0.10 -1.01 0.51 -1.36 0.00 0.00 0.00 173.10 171.34 1aug s PHE 640 N -2.92 3.49 1.15 1.90 0.08 -1.25 -0.63 117.98 119.80 1aug s PHE 640 Ca -0.02 0.49 -0.19 0.00 0.12 0.00 0.00 56.93 57.32 1aug s PHE 640 Cb 0.01 -1.98 0.28 0.00 -0.57 0.00 0.00 43.02 40.75 1aug s PHE 640 CO -0.06 0.21 1.18 -0.40 -0.10 0.00 0.00 175.22 176.05 1aug n ASP 641 N -1.10 -1.35 -4.86 1.36 5.75 -1.00 -3.79 116.55 111.56 1aug n ASP 641 Ca -0.03 -1.28 -0.31 0.00 -0.01 0.00 0.00 54.79 53.16 1aug n ASP 641 Cb 0.54 -1.01 -0.04 0.00 -1.03 0.00 0.00 41.12 39.58 1aug n ASP 641 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1aug s PRO 642 N -5.64 3.89 0.33 0.11 0.02 -1.26 -4.74 135.00 127.70 1aug s PRO 642 Ca 0.73 0.67 0.07 0.00 0.02 0.00 0.00 61.00 62.49 1aug s PRO 642 Cb -0.05 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 1aug s PRO 642 CO 0.54 -0.07 0.29 1.97 -0.33 0.00 0.00 177.00 179.40 1aug n PHE 643 N -1.19 -0.83 0.00 6.54 -1.74 -1.26 -4.89 117.46 114.09 1aug n PHE 643 Ca 0.04 -2.73 0.00 0.00 -0.56 0.00 0.00 57.45 54.20 1aug n PHE 643 Cb 0.54 0.31 0.00 0.00 1.52 0.00 0.00 39.48 41.84 1aug n PHE 643 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1aug n GLY 644 N -0.62 1.21 0.65 4.97 0.00 -1.26 -2.13 105.19 108.01 1aug n GLY 644 Ca 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1aug n GLY 644 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aug n GLY 645 N 0.00 0.83 3.88 -0.02 0.00 -1.26 -5.13 105.19 103.49 1aug n GLY 645 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1aug n GLY 645 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aug s GLU 646 N 0.00 3.52 -0.04 1.61 0.41 -0.91 -5.01 118.70 118.28 1aug s GLU 646 Ca 0.02 0.65 0.17 0.00 -0.41 0.00 0.00 54.97 55.39 1aug s GLU 646 Cb 0.02 -2.11 -0.26 0.00 -1.78 0.00 0.00 34.13 30.00 1aug s GLU 646 CO -0.01 -0.57 0.33 0.25 -0.49 0.00 0.00 175.26 174.78 1aug n THR 647 N -2.71 0.14 -4.36 3.63 -2.24 -1.26 -4.58 114.28 102.90 1aug n THR 647 Ca 0.05 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 1aug n THR 647 Cb 0.54 0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1aug n THR 647 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1aug s VAL 648 N -3.09 1.75 -0.26 2.28 -7.23 -1.26 -4.89 120.40 107.70 1aug s VAL 648 Ca -0.06 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1aug s VAL 648 Cb 0.10 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.52 1aug s VAL 648 CO 0.70 -0.00 -0.08 0.21 -0.31 0.00 0.00 175.10 175.63 1aug s ASN 649 N -1.79 4.45 0.57 4.85 3.84 -1.26 -4.73 114.94 120.87 1aug s ASN 649 Ca 0.07 -1.22 0.32 0.00 0.21 0.00 0.00 52.86 52.24 1aug s ASN 649 Cb -0.10 -1.61 1.41 0.00 -0.55 0.00 0.00 41.25 40.41 1aug s ASN 649 CO 0.04 -0.18 1.75 -0.65 -2.79 0.00 0.00 177.10 175.26 1aug h PRO 650 N 7.89 0.00 -0.40 0.43 0.11 -1.94 -1.72 132.00 136.37 1aug h PRO 650 Ca -0.24 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.72 1aug h PRO 650 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aug h PRO 650 CO 0.51 0.00 -0.35 0.66 -0.21 0.00 0.00 178.00 178.62 1aug h SER 651 N 0.00 0.97 -0.14 -2.05 4.64 -1.90 -1.20 113.55 113.87 1aug h SER 651 Ca 0.41 -0.42 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1aug h SER 651 Cb 1.96 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1aug h SER 651 CO -0.00 1.21 -0.29 -0.25 -0.87 0.00 0.00 176.83 176.63 1aug h TRP 652 N 0.76 0.56 -0.92 4.77 -0.00 -1.53 -2.36 115.95 117.24 1aug h TRP 652 Ca 0.07 -0.20 0.06 0.00 -0.00 0.00 0.00 58.89 58.82 1aug h TRP 652 Cb 0.93 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 29.92 1aug h TRP 652 CO 0.06 0.91 0.58 0.93 -0.00 0.00 0.00 178.44 180.92 1aug h GLU 653 N 0.05 1.04 -0.22 2.65 4.39 -1.28 0.36 114.58 121.56 1aug h GLU 653 Ca 0.00 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1aug h GLU 653 Cb 0.88 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1aug h GLU 653 CO 0.06 0.69 -0.25 0.00 -1.16 0.00 0.00 179.01 178.35 1aug h ALA 654 N 1.42 0.33 0.02 3.43 0.00 -1.23 -3.28 119.26 119.95 1aug h ALA 654 Ca 0.39 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1aug h ALA 654 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1aug h ALA 654 CO -0.17 0.31 -0.95 -0.39 0.00 0.00 0.00 179.25 178.05 1aug h VAL 655 N 0.25 1.60 -0.95 0.00 -1.51 -1.01 -3.09 116.25 111.54 1aug h VAL 655 Ca 0.03 -3.02 0.15 0.00 -1.23 0.00 0.00 66.70 62.63 1aug h VAL 655 Cb 0.81 2.68 -0.09 0.00 -2.13 0.00 0.00 31.29 32.55 1aug h VAL 655 CO 0.06 0.87 0.57 0.50 -1.23 0.00 0.00 177.57 178.33 1aug h LYS 656 N 0.03 0.79 -0.00 5.19 3.64 -1.06 -1.32 116.57 123.84 1aug h LYS 656 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1aug h LYS 656 Cb 1.64 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1aug h LYS 656 CO 0.13 0.52 0.00 2.89 -2.27 0.00 0.00 179.45 180.73 1aug n ARG 657 N -4.74 1.10 0.00 1.90 1.85 -1.17 -2.08 116.66 113.53 1aug n ARG 657 Ca 0.20 -0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.00 1aug n ARG 657 Cb 0.44 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1aug n ARG 657 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1aug n LEU 658 N -0.80 2.09 -4.69 2.89 4.32 -0.51 -4.89 117.00 115.41 1aug n LEU 658 Ca 0.22 -0.78 -0.42 0.00 -0.02 0.00 0.00 56.01 55.01 1aug n LEU 658 Cb 0.14 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.91 1aug n LEU 658 CO 0.17 0.38 1.46 0.21 -1.22 0.00 0.00 177.39 178.40 1aug s ASN 659 N -2.39 6.46 0.00 -1.43 3.04 -0.88 -1.44 114.94 118.30 1aug s ASN 659 Ca 0.19 2.69 0.00 0.00 0.04 0.00 0.00 52.86 55.78 1aug s ASN 659 Cb 0.18 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.33 1aug s ASN 659 CO 0.54 -0.99 0.00 0.61 -3.04 0.00 0.00 177.10 174.22 1aug n GLY 660 N 4.23 0.89 3.78 1.21 0.00 0.66 -4.99 105.19 110.97 1aug n GLY 660 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1aug n GLY 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aug s ALA 661 N -3.09 3.12 -0.07 4.61 0.00 -0.52 -4.77 121.76 121.03 1aug s ALA 661 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1aug s ALA 661 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1aug s ALA 661 CO 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 175.76 175.42 1aug s ALA 662 N -1.60 1.39 -0.14 0.00 0.00 -1.26 -0.34 121.76 119.82 1aug s ALA 662 Ca 0.56 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 1aug s ALA 662 Cb -0.23 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.32 1aug s ALA 662 CO 0.29 0.09 0.29 -1.21 0.00 0.00 0.00 175.76 175.22 1aug s GLU 663 N 0.71 0.20 4.97 0.00 0.41 -0.01 -5.00 118.70 119.97 1aug s GLU 663 Ca -0.13 0.75 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 1aug s GLU 663 Cb -0.16 0.00 0.00 0.00 -1.78 0.00 0.00 34.13 32.19 1aug s GLU 663 CO 0.03 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.96 1aug n GLY 664 N 5.06 3.01 0.23 -1.39 0.00 -1.26 -0.89 105.19 109.94 1aug n GLY 664 Ca -0.11 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 45.91 1aug n GLY 664 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aug h PRO 665 N 0.00 0.00 -6.41 1.61 0.11 -1.93 -3.46 132.00 121.92 1aug h PRO 665 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 1aug h PRO 665 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1aug h PRO 665 CO 0.00 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 177.84 1aug s ALA 666 N -3.57 3.51 -0.12 -0.75 0.00 -0.07 -0.70 121.76 120.05 1aug s ALA 666 Ca 0.02 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1aug s ALA 666 Cb 0.09 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1aug s ALA 666 CO 0.47 0.36 -0.13 0.45 0.00 0.00 0.00 175.76 176.92 1aug s SER 667 N -1.37 2.44 -0.12 0.00 0.15 -0.66 -0.83 113.70 113.31 1aug s SER 667 Ca 0.36 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.57 1aug s SER 667 Cb -0.19 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1aug s SER 667 CO 0.21 -0.04 -0.02 -0.63 1.20 0.00 0.00 173.24 173.97 1aug s ILE 668 N 1.31 4.12 0.13 6.45 1.01 0.54 -0.42 121.20 134.34 1aug s ILE 668 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1aug s ILE 668 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1aug s ILE 668 CO -0.06 0.55 -0.19 0.68 0.00 0.00 0.00 174.94 175.92 1aug s VAL 669 N -0.32 1.74 -0.03 2.92 -7.23 -0.22 -0.25 120.40 117.01 1aug s VAL 669 Ca 0.06 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1aug s VAL 669 Cb -0.12 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 1aug s VAL 669 CO 0.02 -0.18 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.07 1aug s SER 670 N -2.23 1.54 0.11 4.85 0.01 -1.26 -1.09 113.70 115.63 1aug s SER 670 Ca 0.10 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1aug s SER 670 Cb -0.08 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1aug s SER 670 CO 0.05 0.11 -0.12 -1.61 0.41 0.00 0.00 173.24 172.08 1aug s GLU 671 N 0.01 0.96 -0.14 12.44 0.41 -0.50 -4.95 118.70 126.93 1aug s GLU 671 Ca -0.01 -1.22 -0.07 0.00 -0.41 0.00 0.00 54.97 53.26 1aug s GLU 671 Cb -0.08 -0.76 -0.04 0.00 -1.78 0.00 0.00 34.13 31.46 1aug s GLU 671 CO 0.01 0.14 0.12 -1.14 -0.49 0.00 0.00 175.26 173.89 1aug s GLN 672 N -2.74 3.59 -0.07 1.61 0.74 -1.26 -2.30 119.66 119.23 1aug s GLN 672 Ca 0.08 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.32 1aug s GLN 672 Cb -0.04 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 1aug s GLN 672 CO 0.02 0.63 -0.15 0.08 -0.55 0.00 0.00 175.29 175.32 1aug s VAL 673 N -0.61 2.95 0.51 1.34 1.01 0.20 -4.94 120.40 120.87 1aug s VAL 673 Ca 0.12 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1aug s VAL 673 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1aug s VAL 673 CO 0.02 0.57 1.18 -2.16 0.00 0.00 0.00 175.10 174.71 1aug s PRO 674 N -0.37 3.48 -1.29 2.72 0.04 -1.26 -2.37 135.00 135.94 1aug s PRO 674 Ca 0.04 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.77 1aug s PRO 674 Cb -0.12 -2.21 0.15 0.00 0.04 0.00 0.00 34.50 32.36 1aug s PRO 674 CO 0.02 -0.79 1.99 2.41 0.04 0.00 0.00 177.00 180.68 1aug n THR 675 N -0.92 4.52 -3.88 1.26 -1.04 -1.26 -4.30 114.28 108.66 1aug n THR 675 Ca 0.10 -4.35 -0.16 0.00 -2.04 0.00 0.00 64.05 57.59 1aug n THR 675 Cb 0.49 -2.31 -0.16 0.00 -1.82 0.00 0.00 70.33 66.53 1aug n THR 675 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1aug s VAL 676 N 0.11 0.10 0.40 12.58 1.01 -1.26 -1.33 120.40 132.01 1aug s VAL 676 Ca 0.43 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1aug s VAL 676 Cb 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 36.38 36.18 1aug s VAL 676 CO -0.02 0.13 1.44 0.49 0.00 0.00 0.00 175.10 177.14 1aug n PHE 677 N 4.15 2.80 0.00 5.22 3.72 -1.26 -1.97 117.46 130.11 1aug n PHE 677 Ca -0.27 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1aug n PHE 677 Cb 0.50 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.55 1aug n PHE 677 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1aug n TYR 678 N 0.17 0.00 -0.23 1.38 4.01 -1.26 -4.48 117.16 116.75 1aug n TYR 678 Ca 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.71 1aug n TYR 678 Cb 0.40 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.47 1aug n TYR 678 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1aug h LYS 679 N 0.00 0.89 -1.04 -0.72 3.64 -1.96 -2.64 116.57 114.73 1aug h LYS 679 Ca 0.00 -0.09 0.27 0.00 -1.27 0.00 0.00 60.65 59.56 1aug h LYS 679 Cb 0.00 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 31.53 1aug h LYS 679 CO 0.00 0.66 0.64 0.66 -2.27 0.00 0.00 179.45 179.14 1aug h SER 680 N 0.87 0.53 0.01 4.20 4.64 -1.58 -1.52 113.55 120.71 1aug h SER 680 Ca 0.23 0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 1aug h SER 680 Cb 0.02 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1aug h SER 680 CO -0.04 0.06 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.22 1aug h LEU 681 N 0.44 0.73 -0.38 5.97 4.07 -1.76 -1.59 115.31 122.80 1aug h LEU 681 Ca 0.64 -0.45 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 1aug h LEU 681 Cb 1.48 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1aug h LEU 681 CO -0.41 1.21 0.02 0.00 -1.08 0.00 0.00 178.44 178.18 1aug h ALA 682 N 0.79 0.51 -0.73 1.53 0.00 -1.15 -0.84 119.26 119.37 1aug h ALA 682 Ca -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1aug h ALA 682 Cb 1.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1aug h ALA 682 CO 0.13 0.26 0.31 0.28 0.00 0.00 0.00 179.25 180.24 1aug h VAL 683 N 0.48 1.24 -0.36 0.00 2.07 -1.33 -1.98 116.25 116.38 1aug h VAL 683 Ca 0.11 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1aug h VAL 683 Cb 0.44 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1aug h VAL 683 CO 0.02 0.30 0.00 0.25 0.02 0.00 0.00 177.57 178.16 1aug h LEU 684 N 1.03 0.62 -0.72 2.57 5.85 -0.97 -1.80 115.31 121.88 1aug h LEU 684 Ca 0.24 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1aug h LEU 684 Cb 0.17 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1aug h LEU 684 CO -0.02 0.78 0.37 0.03 -0.34 0.00 0.00 178.44 179.25 1aug h ARG 685 N 0.45 0.62 -0.91 1.25 3.08 -0.85 -0.15 114.38 117.86 1aug h ARG 685 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1aug h ARG 685 Cb 0.46 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1aug h ARG 685 CO 0.02 0.41 0.56 0.93 -1.07 0.00 0.00 179.97 180.81 1aug h GLU 686 N 0.64 1.23 -0.21 0.04 4.39 -1.23 -1.56 114.58 117.87 1aug h GLU 686 Ca 0.35 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 1aug h GLU 686 Cb 0.35 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1aug h GLU 686 CO -0.26 0.86 -0.28 0.00 -1.16 0.00 0.00 179.01 178.16 1aug h ALA 687 N 1.30 1.12 -0.34 3.43 0.00 -0.32 -1.60 119.26 122.86 1aug h ALA 687 Ca 0.33 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1aug h ALA 687 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1aug h ALA 687 CO -0.06 0.55 -0.11 0.82 0.00 0.00 0.00 179.25 180.45 1aug h ILE 688 N 0.36 1.28 0.06 0.00 2.04 -0.55 -1.60 117.51 119.11 1aug h ILE 688 Ca 0.05 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1aug h ILE 688 Cb 0.69 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1aug h ILE 688 CO 0.05 0.39 -0.03 0.11 0.00 0.00 0.00 178.15 178.67 1aug h LYS 689 N 0.46 -0.08 -0.44 2.37 6.56 -1.08 0.29 116.57 124.65 1aug h LYS 689 Ca 0.08 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1aug h LYS 689 Cb 0.62 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.28 1aug h LYS 689 CO 0.04 -0.04 0.16 -0.22 -2.06 0.00 0.00 179.45 177.33 1aug h LYS 690 N -0.10 0.67 0.00 3.15 3.64 -1.28 -3.30 116.57 119.35 1aug h LYS 690 Ca -0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1aug h LYS 690 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1aug h LYS 690 CO 0.01 0.63 -1.34 0.72 -2.27 0.00 0.00 179.45 177.20 1aug n HIS 691 N -4.59 0.16 -3.84 1.91 8.25 -0.60 -5.01 115.22 111.50 1aug n HIS 691 Ca 0.01 0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1aug n HIS 691 Cb 0.16 -0.39 0.03 0.00 1.12 0.00 0.00 29.99 30.91 1aug n HIS 691 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1aug n GLN 692 N -2.00 -1.22 -2.33 -0.41 1.13 0.08 -4.92 117.38 107.71 1aug n GLN 692 Ca 0.00 0.34 -0.32 0.00 -1.94 0.00 0.00 57.00 55.08 1aug n GLN 692 Cb 0.46 -3.73 -0.02 0.00 0.11 0.00 0.00 30.24 27.06 1aug n GLN 692 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1aug s PRO 693 N -6.48 3.76 0.03 -1.09 0.04 -1.26 -4.91 135.00 125.08 1aug s PRO 693 Ca 0.41 1.08 0.13 0.00 0.04 0.00 0.00 61.00 62.65 1aug s PRO 693 Cb -0.17 -2.10 -0.19 0.00 0.04 0.00 0.00 34.50 32.08 1aug s PRO 693 CO 0.90 -0.44 0.85 -0.44 0.04 0.00 0.00 177.00 177.91 1aug h ASP 694 N 0.88 0.00 -3.72 6.66 3.32 -1.26 -3.45 116.42 118.86 1aug h ASP 694 Ca -0.47 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 1aug h ASP 694 Cb 1.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 1aug h ASP 694 CO 0.60 0.88 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.63 1aug s ILE 695 N -2.71 0.17 -0.07 0.35 1.01 -1.05 -2.02 121.20 116.87 1aug s ILE 695 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1aug s ILE 695 Cb 0.08 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.38 1aug s ILE 695 CO 0.82 0.08 -0.17 -0.63 0.00 0.00 0.00 174.94 175.04 1aug s ILE 696 N 0.27 1.47 -0.18 2.92 1.01 -0.22 -1.42 121.20 125.06 1aug s ILE 696 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1aug s ILE 696 Cb -0.05 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.17 1aug s ILE 696 CO -0.01 0.43 -0.05 -0.63 0.00 0.00 0.00 174.94 174.68 1aug s ILE 697 N 0.51 1.13 -0.04 2.92 1.01 -0.18 -2.09 121.20 124.45 1aug s ILE 697 Ca -0.15 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 1aug s ILE 697 Cb -0.16 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1aug s ILE 697 CO 0.05 0.08 0.34 0.00 0.00 0.00 0.00 174.94 175.42 1aug s VAL 699 N -0.90 1.45 0.16 0.00 1.01 -0.71 -1.11 120.40 120.30 1aug s VAL 699 Ca 0.21 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1aug s VAL 699 Cb -0.15 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1aug s VAL 699 CO 0.10 0.31 0.22 -0.83 0.00 0.00 0.00 175.10 174.90 1aug s GLY 700 N -0.71 0.65 -0.09 4.51 0.00 -0.91 -3.96 107.32 106.83 1aug s GLY 700 Ca 0.07 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 1aug s GLY 700 CO 0.00 -1.00 0.45 1.62 0.00 0.00 0.00 173.10 174.18 1aug s GLN 701 N -4.00 4.24 -0.57 2.90 0.74 -1.26 -0.83 119.66 120.88 1aug s GLN 701 Ca 0.20 0.43 0.03 0.00 0.05 0.00 0.00 55.36 56.07 1aug s GLN 701 Cb 0.04 -3.38 0.14 0.00 1.10 0.00 0.00 33.01 30.92 1aug s GLN 701 CO 0.01 0.30 0.33 0.00 -0.55 0.00 0.00 175.29 175.38 1aug s ALA 702 N 0.17 3.46 0.08 1.58 0.00 0.15 -4.83 121.76 122.37 1aug s ALA 702 Ca 0.25 -3.40 -0.30 0.00 0.00 0.00 0.00 51.96 48.50 1aug s ALA 702 Cb -0.15 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 1aug s ALA 702 CO 0.11 -2.05 1.87 0.20 0.00 0.00 0.00 175.76 175.90 1aug s GLY 703 N -0.44 1.41 0.00 0.00 0.00 -1.26 -2.37 107.32 104.65 1aug s GLY 703 Ca 0.19 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1aug s GLY 703 CO -0.04 3.27 0.00 0.61 0.00 0.00 0.00 173.10 176.94 1aug n GLY 704 N 4.35 2.09 3.89 0.20 0.00 -1.26 -4.98 105.19 109.48 1aug n GLY 704 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1aug n GLY 704 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aug s ARG 705 N -0.15 2.84 0.00 1.61 1.81 -1.00 -4.60 118.95 119.46 1aug s ARG 705 Ca 0.00 0.39 0.04 0.00 -1.72 0.00 0.00 55.73 54.45 1aug s ARG 705 Cb 0.00 -2.05 0.00 0.00 -0.45 0.00 0.00 34.95 32.45 1aug s ARG 705 CO 0.00 -1.01 0.45 -1.33 -0.68 0.00 0.00 175.30 172.73 1aug n MET 706 N -2.96 2.14 -4.16 3.54 2.81 -1.26 -4.51 117.12 112.72 1aug n MET 706 Ca 0.07 -0.45 -0.10 0.00 -1.81 0.00 0.00 57.70 55.40 1aug n MET 706 Cb 0.57 -0.92 -0.10 0.00 -0.71 0.00 0.00 33.22 32.06 1aug n MET 706 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1aug s GLN 707 N -0.80 0.82 0.01 0.03 -0.21 -1.26 -4.86 119.66 113.39 1aug s GLN 707 Ca 0.04 -1.34 -0.30 0.00 0.02 0.00 0.00 55.36 53.78 1aug s GLN 707 Cb 0.03 -0.12 -0.06 0.00 1.00 0.00 0.00 33.01 33.86 1aug s GLN 707 CO 0.10 -0.05 1.42 0.42 -2.12 0.00 0.00 175.29 175.06 1aug s ILE 708 N -3.69 3.65 -0.33 1.08 -1.09 0.13 -4.27 121.20 116.68 1aug s ILE 708 Ca 0.12 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 1aug s ILE 708 Cb 0.06 -3.67 0.10 0.00 -1.58 0.00 0.00 42.46 37.37 1aug s ILE 708 CO -0.05 -0.00 0.08 0.42 -1.23 0.00 0.00 174.94 174.16 1aug s THR 709 N 2.42 1.64 0.17 2.92 -4.23 -0.17 -2.01 115.64 116.37 1aug s THR 709 Ca 0.65 -1.94 -0.34 0.00 -1.18 0.00 0.00 61.69 58.88 1aug s THR 709 Cb -0.32 -2.22 -0.15 0.00 1.34 0.00 0.00 72.50 71.15 1aug s THR 709 CO 0.27 -0.64 1.36 -2.65 -0.54 0.00 0.00 174.62 172.41 1aug n PRO 710 N 4.49 1.58 -3.22 3.99 -0.02 -1.25 -1.08 135.00 139.49 1aug n PRO 710 Ca 0.01 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 1aug n PRO 710 Cb 0.42 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1aug n PRO 710 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1aug s GLU 711 N 0.10 4.35 0.20 -0.52 0.41 -0.83 -2.23 118.70 120.18 1aug s GLU 711 Ca 0.76 0.62 0.15 0.00 -0.41 0.00 0.00 54.97 56.09 1aug s GLU 711 Cb -0.79 -3.42 -0.01 0.00 -1.78 0.00 0.00 34.13 28.13 1aug s GLU 711 CO 0.47 0.18 1.25 -0.09 -0.49 0.00 0.00 175.26 176.58 1aug h ARG 712 N 6.48 0.00 -3.37 1.61 9.65 -1.54 -3.42 114.38 123.80 1aug h ARG 712 Ca -0.42 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.24 1aug h ARG 712 Cb 1.19 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.48 1aug h ARG 712 CO 0.74 0.47 -0.59 0.08 2.80 0.00 0.00 179.97 183.47 1aug s VAL 713 N -2.94 -0.02 0.05 0.20 1.01 -1.26 -1.36 120.40 116.08 1aug s VAL 713 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1aug s VAL 713 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1aug s VAL 713 CO 0.77 0.03 0.01 0.00 0.00 0.00 0.00 175.10 175.91 1aug s ALA 714 N 0.54 3.31 0.03 5.51 0.00 -0.25 -4.32 121.76 126.58 1aug s ALA 714 Ca -0.04 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.95 1aug s ALA 714 Cb -0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1aug s ALA 714 CO -0.02 0.68 -0.17 0.42 0.00 0.00 0.00 175.76 176.67 1aug s ILE 715 N -1.21 1.34 -1.50 0.00 1.09 -1.26 -1.66 121.20 117.99 1aug s ILE 715 Ca 0.23 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.70 1aug s ILE 715 Cb -0.12 -1.17 0.00 0.00 -1.06 0.00 0.00 42.46 40.12 1aug s ILE 715 CO 0.15 0.17 2.57 -3.20 -0.10 0.00 0.00 174.94 174.53 1aug n ASN 716 N 2.11 6.92 -3.70 3.58 5.15 0.92 -4.84 115.26 125.39 1aug n ASN 716 Ca -0.17 -2.79 -0.11 0.00 -0.60 0.00 0.00 54.58 50.91 1aug n ASN 716 Cb 0.54 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 38.14 1aug n ASN 716 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aug s LEU 717 N 0.37 -0.05 -0.24 1.20 0.20 -1.26 -3.77 118.68 115.13 1aug s LEU 717 Ca 0.58 0.98 -0.05 0.00 0.69 0.00 0.00 54.13 56.33 1aug s LEU 717 Cb 0.16 1.57 -0.00 0.00 -0.43 0.00 0.00 46.19 47.49 1aug s LEU 717 CO -0.07 -0.18 -0.01 0.20 -0.29 0.00 0.00 176.35 176.00 1aug s ASN 718 N 0.92 4.56 -0.35 3.68 0.01 0.27 -4.78 114.94 119.25 1aug s ASN 718 Ca -0.05 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 51.64 1aug s ASN 718 Cb -0.06 -1.78 0.15 0.00 0.41 0.00 0.00 41.25 39.97 1aug s ASN 718 CO -0.08 -0.07 0.36 -0.70 -1.51 0.00 0.00 177.10 175.11 1aug s GLU 719 N 1.48 0.55 -0.35 -0.60 2.56 -0.35 -2.36 118.70 119.64 1aug s GLU 719 Ca 0.05 -0.63 -0.18 0.00 0.00 0.00 0.00 54.97 54.21 1aug s GLU 719 Cb -0.15 -0.68 -0.00 0.00 2.00 0.00 0.00 34.13 35.29 1aug s GLU 719 CO -0.01 -1.15 0.48 0.00 -0.56 0.00 0.00 175.26 174.02 1aug s ALA 720 N 1.72 3.48 0.28 6.30 0.00 0.54 -4.30 121.76 129.77 1aug s ALA 720 Ca 0.15 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1aug s ALA 720 Cb -0.15 -2.98 0.39 0.00 0.00 0.00 0.00 23.12 20.38 1aug s ALA 720 CO -0.12 -1.19 1.63 0.07 0.00 0.00 0.00 175.76 176.15 1aug h ARG 721 N 8.46 0.07 -5.08 0.00 -0.00 -1.92 -3.45 114.38 112.46 1aug h ARG 721 Ca -0.28 -0.04 -0.36 0.00 -0.00 0.00 0.00 59.98 59.29 1aug h ARG 721 Cb 1.13 0.01 -0.21 0.00 -0.00 0.00 0.00 29.97 30.90 1aug h ARG 721 CO 0.76 0.62 -0.76 -1.50 -0.00 0.00 0.00 179.97 179.09 1aug s ILE 722 N -3.75 0.94 0.58 0.08 1.10 -1.26 -5.14 121.20 113.75 1aug s ILE 722 Ca -0.02 -1.31 -0.18 0.00 -0.51 0.00 0.00 60.65 58.63 1aug s ILE 722 Cb 0.13 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.70 1aug s ILE 722 CO 0.77 -0.32 1.13 -2.16 -2.11 0.00 0.00 174.94 172.24 1aug s PRO 723 N -1.88 3.16 0.16 3.50 0.04 -1.26 -4.81 135.00 133.91 1aug s PRO 723 Ca -0.03 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 1aug s PRO 723 Cb -0.09 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1aug s PRO 723 CO 0.01 -1.00 0.19 -0.40 0.04 0.00 0.00 177.00 175.84 1aug n ASP 724 N -1.65 -0.52 0.31 6.66 5.68 0.08 -4.83 116.55 122.28 1aug n ASP 724 Ca 0.11 -0.86 0.21 0.00 -0.50 0.00 0.00 54.79 53.75 1aug n ASP 724 Cb 0.51 -0.15 1.03 0.00 -1.14 0.00 0.00 41.12 41.37 1aug n ASP 724 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1aug h ASN 725 N -0.72 0.00 -0.33 -1.12 2.35 -1.55 -1.72 115.58 112.50 1aug h ASN 725 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1aug h ASN 725 Cb 0.18 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1aug h ASN 725 CO 0.04 0.00 0.01 -0.62 -1.65 0.00 0.00 177.43 175.22 1aug n GLU 726 N -3.04 2.69 -0.89 0.81 1.02 -1.26 -4.98 120.64 114.98 1aug n GLU 726 Ca -0.02 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 1aug n GLU 726 Cb 0.14 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1aug n GLU 726 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aug n GLY 727 N -0.66 0.85 3.73 0.62 0.00 -0.65 -5.03 105.19 104.06 1aug n GLY 727 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1aug n GLY 727 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aug s ASN 728 N -2.75 7.33 -0.45 1.61 0.01 -1.26 -4.71 114.94 114.72 1aug s ASN 728 Ca 0.00 1.97 0.07 0.00 -0.71 0.00 0.00 52.86 54.19 1aug s ASN 728 Cb 0.00 -2.60 0.23 0.00 0.41 0.00 0.00 41.25 39.29 1aug s ASN 728 CO 0.00 -0.19 0.51 1.67 -1.51 0.00 0.00 177.10 177.58 1aug n GLN 729 N 2.70 0.95 -1.99 -0.60 7.27 -1.26 -0.75 117.38 123.70 1aug n GLN 729 Ca 0.03 -3.52 -0.41 0.00 0.07 0.00 0.00 57.00 53.18 1aug n GLN 729 Cb 0.47 -1.55 -0.01 0.00 2.41 0.00 0.00 30.24 31.56 1aug n GLN 729 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1aug s PRO 730 N -1.12 4.25 -0.11 3.69 0.04 -1.26 -4.80 135.00 135.70 1aug s PRO 730 Ca 0.35 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.75 1aug s PRO 730 Cb 0.12 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.65 1aug s PRO 730 CO -0.12 -0.34 -0.11 0.08 0.04 0.00 0.00 177.00 176.55 1aug s VAL 731 N -1.03 1.21 -1.43 -0.36 1.01 -1.26 -0.34 120.40 118.20 1aug s VAL 731 Ca 0.51 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1aug s VAL 731 Cb -0.43 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1aug s VAL 731 CO 0.56 0.39 0.27 0.61 0.00 0.00 0.00 175.10 176.93 1aug n GLY 732 N 4.52 -0.36 3.79 4.51 0.00 -1.06 -4.97 105.19 111.62 1aug n GLY 732 Ca -0.17 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1aug n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aug s GLU 733 N -5.23 3.58 0.45 1.61 2.12 -0.99 -4.94 118.70 115.29 1aug s GLU 733 Ca 0.14 -0.21 -0.23 0.00 0.36 0.00 0.00 54.97 55.02 1aug s GLU 733 Cb -0.06 -3.18 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 1aug s GLU 733 CO 0.17 0.62 1.16 -0.51 -0.54 0.00 0.00 175.26 176.15 1aug s ASP 734 N -0.58 6.26 -0.13 -1.70 1.01 -1.26 -0.57 116.67 119.70 1aug s ASP 734 Ca 0.12 2.29 -0.18 0.00 0.71 0.00 0.00 52.55 55.49 1aug s ASP 734 Cb -0.12 -2.60 -0.16 0.00 1.01 0.00 0.00 42.92 41.05 1aug s ASP 734 CO 0.02 -0.85 0.45 0.40 0.21 0.00 0.00 175.17 175.40 1aug h ILE 735 N 1.95 1.08 -3.58 0.77 2.04 -1.89 -3.44 117.51 114.43 1aug h ILE 735 Ca -0.49 -1.83 -0.68 0.00 1.00 0.00 0.00 64.86 62.86 1aug h ILE 735 Cb 1.24 2.07 -0.32 0.00 -0.74 0.00 0.00 36.82 39.07 1aug h ILE 735 CO 0.61 0.37 -0.73 -0.55 0.00 0.00 0.00 178.15 177.85 1aug s SER 736 N -6.00 4.52 -0.04 1.72 0.15 -1.26 -5.06 113.70 107.73 1aug s SER 736 Ca -0.13 -0.96 -0.30 0.00 0.70 0.00 0.00 55.95 55.27 1aug s SER 736 Cb -0.01 -1.69 -0.07 0.00 -1.71 0.00 0.00 66.02 62.54 1aug s SER 736 CO 0.43 -0.17 1.79 -1.10 1.20 0.00 0.00 173.24 175.40 1aug s GLN 737 N 1.32 4.10 0.00 5.44 1.11 -1.26 -1.15 119.66 129.21 1aug s GLN 737 Ca -0.01 2.30 0.00 0.00 0.01 0.00 0.00 55.36 57.66 1aug s GLN 737 Cb -0.17 -4.07 0.00 0.00 -1.01 0.00 0.00 33.01 27.75 1aug s GLN 737 CO -0.03 -0.97 0.00 0.41 0.01 0.00 0.00 175.29 174.71 1aug n GLY 738 N 4.39 0.83 3.86 3.09 0.00 -1.26 -5.05 105.19 111.05 1aug n GLY 738 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1aug n GLY 738 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aug s GLY 739 N -1.96 1.60 0.89 -0.02 0.00 -0.30 -5.04 107.32 102.49 1aug s GLY 739 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 1aug s GLY 739 CO 0.00 -0.01 1.13 2.56 0.00 0.00 0.00 173.10 176.78 1aug s PRO 740 N -5.40 1.27 0.36 2.90 0.04 -1.26 -4.92 135.00 127.99 1aug s PRO 740 Ca 0.61 1.43 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1aug s PRO 740 Cb -0.12 -1.77 0.67 0.00 0.04 0.00 0.00 34.50 33.32 1aug s PRO 740 CO 0.51 -2.41 1.81 0.00 0.04 0.00 0.00 177.00 176.95 1aug h ALA 741 N -1.71 1.34 -2.59 8.56 0.00 -1.96 -3.41 119.26 119.50 1aug h ALA 741 Ca -0.44 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1aug h ALA 741 Cb 1.26 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1aug h ALA 741 CO 0.44 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.91 1aug s ALA 742 N -4.30 -0.54 -0.03 0.00 0.00 -1.26 -0.06 121.76 115.58 1aug s ALA 742 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1aug s ALA 742 Cb 0.14 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1aug s ALA 742 CO 0.74 -0.53 -0.18 0.71 0.00 0.00 0.00 175.76 176.50 1aug s TYR 743 N -3.56 1.70 0.58 0.00 2.02 -0.66 -4.97 117.35 112.46 1aug s TYR 743 Ca 0.02 -0.43 -0.14 0.00 -0.37 0.00 0.00 57.07 56.15 1aug s TYR 743 Cb 0.03 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.41 1aug s TYR 743 CO -0.10 -0.12 1.02 -1.58 -1.57 0.00 0.00 175.55 173.21 1aug s TRP 744 N -0.14 3.41 0.76 2.71 0.52 -1.26 -1.09 118.94 123.86 1aug s TRP 744 Ca 0.00 1.41 -0.13 0.00 0.02 0.00 0.00 56.10 57.40 1aug s TRP 744 Cb -0.10 -2.81 0.06 0.00 -1.15 0.00 0.00 33.47 29.47 1aug s TRP 744 CO 0.01 -0.67 1.15 -0.08 0.02 0.00 0.00 176.95 177.38 1aug s THR 745 N -2.84 2.62 -1.87 2.01 -1.32 -0.47 -4.88 115.64 108.90 1aug s THR 745 Ca 0.58 0.26 0.18 0.00 -1.21 0.00 0.00 61.69 61.50 1aug s THR 745 Cb -0.12 -2.69 0.34 0.00 -1.51 0.00 0.00 72.50 68.53 1aug s THR 745 CO 0.42 -0.21 1.27 0.61 -2.21 0.00 0.00 174.62 174.50 1aug n GLY 746 N -0.11 1.63 3.91 6.08 0.00 -0.08 -5.01 105.19 111.61 1aug n GLY 746 Ca 0.12 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1aug n GLY 746 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aug s LEU 747 N -1.24 3.88 -1.42 0.99 1.43 -1.20 -4.42 118.68 116.70 1aug s LEU 747 Ca 0.31 0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 1aug s LEU 747 Cb 0.18 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.77 1aug s LEU 747 CO 0.25 -0.37 2.18 -0.81 0.23 0.00 0.00 176.35 177.83 1aug n PRO 748 N -1.54 3.14 0.24 1.29 -0.04 -1.26 -4.80 135.00 132.02 1aug n PRO 748 Ca -0.01 -2.84 0.10 0.00 -0.04 0.00 0.00 63.50 60.71 1aug n PRO 748 Cb 0.55 -3.15 0.60 0.00 -0.04 0.00 0.00 33.50 31.45 1aug n PRO 748 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1aug h ILE 749 N 3.84 0.71 -0.04 0.52 3.07 -1.97 -1.50 117.51 122.15 1aug h ILE 749 Ca 0.54 -0.79 -0.16 0.00 1.55 0.00 0.00 64.86 66.00 1aug h ILE 749 Cb 0.61 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1aug h ILE 749 CO 1.81 0.19 -0.69 0.11 -1.05 0.00 0.00 178.15 178.52 1aug h LYS 750 N 0.00 0.20 -0.12 0.16 1.57 -1.88 -1.52 116.57 114.99 1aug h LYS 750 Ca -0.00 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1aug h LYS 750 Cb 0.48 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1aug h LYS 750 CO 0.02 0.81 -0.30 -0.09 -0.57 0.00 0.00 179.45 179.33 1aug h ARG 751 N 0.14 0.41 -0.59 3.15 2.43 -1.66 -2.21 114.38 116.05 1aug h ARG 751 Ca -0.02 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1aug h ARG 751 Cb 1.23 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1aug h ARG 751 CO 0.10 0.89 0.31 0.82 -1.51 0.00 0.00 179.97 180.59 1aug h ILE 752 N -0.01 0.95 -0.53 1.20 2.04 -1.24 -0.83 117.51 119.09 1aug h ILE 752 Ca -0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1aug h ILE 752 Cb 0.90 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1aug h ILE 752 CO 0.06 0.11 0.17 0.58 0.00 0.00 0.00 178.15 179.07 1aug h VAL 753 N 0.59 1.23 -0.20 1.67 2.07 -1.19 -1.39 116.25 119.03 1aug h VAL 753 Ca 0.27 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1aug h VAL 753 Cb 0.18 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1aug h VAL 753 CO -0.18 0.29 -0.33 -0.33 0.02 0.00 0.00 177.57 177.03 1aug h GLU 754 N 0.73 0.41 -0.24 1.57 4.39 -0.91 -2.36 114.58 118.18 1aug h GLU 754 Ca 0.17 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1aug h GLU 754 Cb 0.27 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1aug h GLU 754 CO -0.01 0.70 -0.53 0.93 -1.16 0.00 0.00 179.01 178.94 1aug h GLU 755 N 0.35 0.78 -0.76 2.33 4.39 -0.82 -1.18 114.58 119.68 1aug h GLU 755 Ca 0.04 -0.52 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 1aug h GLU 755 Cb 0.76 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1aug h GLU 755 CO 0.06 1.15 0.34 0.82 -1.16 0.00 0.00 179.01 180.22 1aug h ILE 756 N 0.53 1.25 -0.06 3.13 2.04 -1.10 -2.72 117.51 120.58 1aug h ILE 756 Ca 0.00 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 1aug h ILE 756 Cb 1.15 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1aug h ILE 756 CO 0.12 0.31 -0.47 0.11 0.00 0.00 0.00 178.15 178.21 1aug h LYS 757 N 1.09 0.15 -0.01 2.37 1.57 -1.37 -1.37 116.57 119.00 1aug h LYS 757 Ca 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1aug h LYS 757 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1aug h LYS 757 CO -0.03 0.59 0.01 0.87 -0.57 0.00 0.00 179.45 180.32 1aug h LYS 758 N 0.12 0.00 -0.60 3.15 1.57 -0.89 -0.62 116.57 119.30 1aug h LYS 758 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1aug h LYS 758 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1aug h LYS 758 CO 0.07 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.34 1aug n GLU 759 N -4.17 2.74 -0.88 3.15 -0.58 -0.54 -4.91 120.64 115.46 1aug n GLU 759 Ca -0.03 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.90 1aug n GLU 759 Cb 0.10 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 1aug n GLU 759 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aug n GLY 760 N 0.83 0.50 3.31 0.62 0.00 -0.24 -5.06 105.19 105.15 1aug n GLY 760 Ca 0.16 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1aug n GLY 760 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aug s ILE 761 N -2.00 2.16 0.34 -0.61 2.07 -1.08 -5.02 121.20 117.07 1aug s ILE 761 Ca 0.00 -1.05 -0.28 0.00 -1.41 0.00 0.00 60.65 57.91 1aug s ILE 761 Cb 0.00 -1.77 -0.10 0.00 0.13 0.00 0.00 42.46 40.72 1aug s ILE 761 CO 0.00 0.58 1.28 -2.16 -1.91 0.00 0.00 174.94 172.73 1aug s PRO 762 N -0.45 4.32 0.01 3.50 0.04 -1.26 -3.39 135.00 137.77 1aug s PRO 762 Ca 0.05 2.16 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 1aug s PRO 762 Cb -0.11 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.45 1aug s PRO 762 CO 0.01 -0.20 0.47 0.00 0.04 0.00 0.00 177.00 177.32 1aug s ALA 763 N -1.17 -1.19 -0.12 8.56 0.00 -1.26 -0.69 121.76 125.89 1aug s ALA 763 Ca 0.50 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1aug s ALA 763 Cb -0.38 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.05 1aug s ALA 763 CO 0.51 -0.40 0.84 0.00 0.00 0.00 0.00 175.76 176.71 1aug s ALA 764 N -1.90 -1.85 0.18 0.00 0.00 -0.85 -4.90 121.76 112.44 1aug s ALA 764 Ca -0.09 1.49 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1aug s ALA 764 Cb -0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 1aug s ALA 764 CO 0.02 -0.34 0.84 0.54 0.00 0.00 0.00 175.76 176.82 1aug s VAL 765 N -1.04 4.31 0.05 0.00 0.11 -1.26 -3.84 120.40 118.73 1aug s VAL 765 Ca -0.06 1.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.84 1aug s VAL 765 Cb -0.01 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 1aug s VAL 765 CO 0.05 0.49 0.15 -0.55 -3.33 0.00 0.00 175.10 171.91 1aug s SER 766 N -1.01 5.99 -0.00 3.54 0.15 -0.95 -5.00 113.70 116.42 1aug s SER 766 Ca 0.38 0.17 0.09 0.00 0.70 0.00 0.00 55.95 57.29 1aug s SER 766 Cb -0.24 -1.76 0.26 0.00 -1.71 0.00 0.00 66.02 62.57 1aug s SER 766 CO 0.28 0.19 1.21 -1.22 1.20 0.00 0.00 173.24 174.90 1aug n TYR 767 N 0.51 0.39 -3.76 3.44 4.02 -1.26 -1.27 117.16 119.22 1aug n TYR 767 Ca -0.08 -0.50 -0.13 0.00 -0.01 0.00 0.00 57.90 57.18 1aug n TYR 767 Cb 0.52 -0.03 -0.13 0.00 -0.02 0.00 0.00 39.34 39.67 1aug n TYR 767 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1aug s THR 768 N -1.01 -0.03 -0.67 -0.72 -1.32 -1.26 -4.73 115.64 105.89 1aug s THR 768 Ca 0.20 0.12 0.16 0.00 -1.21 0.00 0.00 61.69 60.96 1aug s THR 768 Cb 0.10 -0.27 0.70 0.00 -1.51 0.00 0.00 72.50 71.53 1aug s THR 768 CO 0.13 0.05 1.62 0.00 -2.21 0.00 0.00 174.62 174.21 1aug n ALA 769 N 3.84 3.29 0.00 11.08 0.00 -1.26 -5.04 120.51 132.42 1aug n ALA 769 Ca -0.22 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.42 1aug n ALA 769 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1aug n ALA 769 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aug n GLY 770 N 0.67 -1.92 0.47 0.00 0.00 -1.26 -3.88 105.19 99.26 1aug n GLY 770 Ca 0.25 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1aug n GLY 770 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aug n THR 771 N 0.00 0.44 -1.70 2.61 -2.24 -1.26 -4.65 114.28 107.48 1aug n THR 771 Ca 0.00 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1aug n THR 771 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1aug n THR 771 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1aug n PHE 772 N -0.30 0.00 0.19 4.78 7.35 -1.26 -1.21 117.46 127.01 1aug n PHE 772 Ca 0.04 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1aug n PHE 772 Cb 0.71 0.00 0.51 0.00 0.35 0.00 0.00 39.48 41.05 1aug n PHE 772 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1aug h VAL 773 N 0.00 1.10 -0.61 -2.13 2.07 -1.95 -2.40 116.25 112.32 1aug h VAL 773 Ca 0.00 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1aug h VAL 773 Cb 0.00 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1aug h VAL 773 CO 0.00 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.82 1aug h ASN 775 N 0.93 0.42 -0.11 0.00 -1.24 -1.59 -2.22 115.58 111.76 1aug h ASN 775 Ca 0.19 -0.24 0.02 0.00 0.71 0.00 0.00 56.30 56.98 1aug h ASN 775 Cb 0.44 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1aug h ASN 775 CO 0.01 0.93 -0.03 -0.74 -1.29 0.00 0.00 177.43 176.31 1aug h HIS 776 N 0.27 -0.07 -0.53 0.67 2.76 -1.06 0.44 115.15 117.62 1aug h HIS 776 Ca -0.01 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1aug h HIS 776 Cb 1.14 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 1aug h HIS 776 CO 0.03 -0.06 -0.02 1.25 -1.30 0.00 0.00 177.93 177.84 1aug h LEU 777 N -0.01 0.88 0.14 0.26 5.85 -1.13 -1.01 115.31 120.28 1aug h LEU 777 Ca 0.05 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1aug h LEU 777 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1aug h LEU 777 CO -0.12 0.95 -0.07 0.15 -0.34 0.00 0.00 178.44 179.02 1aug h PHE 778 N 0.84 -0.17 0.13 1.25 3.57 -0.80 0.15 116.94 121.91 1aug h PHE 778 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1aug h PHE 778 Cb 0.52 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1aug h PHE 778 CO 0.03 -0.01 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.12 1aug h TYR 779 N -0.30 -0.17 -0.62 0.41 3.20 -0.89 -1.70 116.97 116.91 1aug h TYR 779 Ca -0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1aug h TYR 779 Cb 0.24 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1aug h TYR 779 CO -0.03 -0.10 0.41 0.78 -1.64 0.00 0.00 178.16 177.58 1aug h GLY 780 N -0.19 0.77 0.84 1.82 0.00 -1.09 -0.52 103.07 104.71 1aug h GLY 780 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1aug h GLY 780 CO 0.03 0.20 0.04 -2.00 0.00 0.00 0.00 176.54 174.81 1aug h LEU 781 N 0.63 0.31 -0.91 3.11 5.85 -0.58 -1.51 115.31 122.20 1aug h LEU 781 Ca 0.26 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1aug h LEU 781 Cb 0.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1aug h LEU 781 CO -0.08 0.47 -0.50 0.24 -0.34 0.00 0.00 178.44 178.24 1aug h MET 782 N 0.13 0.00 0.11 1.25 2.86 -0.35 -0.92 114.93 118.00 1aug h MET 782 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1aug h MET 782 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1aug h MET 782 CO 0.00 0.50 -0.05 0.22 1.06 0.00 0.00 176.91 178.64 1aug h ASP 783 N 0.00 -0.12 -0.56 1.22 3.58 -1.07 -1.32 116.42 118.14 1aug h ASP 783 Ca -0.00 -0.32 0.11 0.00 0.42 0.00 0.00 57.03 57.23 1aug h ASP 783 Cb 0.96 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.96 1aug h ASP 783 CO 0.06 0.28 0.10 -0.33 -2.88 0.00 0.00 179.24 176.47 1aug h GLU 784 N -0.55 0.22 -0.03 0.28 4.39 -1.06 -1.45 114.58 116.38 1aug h GLU 784 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1aug h GLU 784 Cb 0.44 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1aug h GLU 784 CO 0.02 0.15 0.01 0.82 -1.16 0.00 0.00 179.01 178.86 1aug h ILE 785 N 0.23 1.09 -0.76 3.13 2.04 -1.13 -0.99 117.51 121.12 1aug h ILE 785 Ca 0.29 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1aug h ILE 785 Cb 0.43 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1aug h ILE 785 CO -0.39 0.07 0.42 -1.28 0.00 0.00 0.00 178.15 176.97 1aug h SER 786 N -0.06 0.95 0.63 1.72 0.87 -0.85 -0.53 113.55 116.28 1aug h SER 786 Ca 0.01 -0.09 -0.27 0.00 -1.23 0.00 0.00 61.79 60.21 1aug h SER 786 Cb 0.11 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 1aug h SER 786 CO -0.00 0.77 -1.47 0.03 -0.53 0.00 0.00 176.83 175.63 1aug h ARG 787 N 1.06 0.05 0.00 2.24 3.08 -1.33 -3.44 114.38 116.04 1aug h ARG 787 Ca 0.27 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1aug h ARG 787 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1aug h ARG 787 CO -0.04 0.78 -0.33 0.72 -1.07 0.00 0.00 179.97 180.03 1aug n HIS 788 N -3.23 0.00 -3.09 3.04 8.25 -0.39 -4.95 115.22 114.86 1aug n HIS 788 Ca -0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.18 1aug n HIS 788 Cb 1.01 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.11 1aug n HIS 788 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1aug n HIS 789 N -0.69 0.03 0.10 4.41 8.25 -0.26 -4.98 115.22 122.08 1aug n HIS 789 Ca 0.00 -3.55 0.01 0.00 -0.26 0.00 0.00 57.72 53.93 1aug n HIS 789 Cb 0.00 -0.23 0.06 0.00 1.12 0.00 0.00 29.99 30.94 1aug n HIS 789 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1aug n PRO 790 N 0.24 0.01 0.13 -0.41 -0.04 -0.91 -1.14 135.00 132.87 1aug n PRO 790 Ca 0.21 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 1aug n PRO 790 Cb 0.68 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.77 1aug n PRO 790 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1aug h HIS 791 N 0.00 0.00 -3.69 0.54 2.07 -1.94 -3.47 115.15 108.66 1aug h HIS 791 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1aug h HIS 791 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1aug h HIS 791 CO 0.00 0.00 0.38 0.42 -3.07 0.00 0.00 177.93 175.66 1aug s ILE 792 N -3.25 4.09 -0.28 6.12 1.01 -0.29 -4.98 121.20 123.62 1aug s ILE 792 Ca 0.04 1.97 -0.13 0.00 0.00 0.00 0.00 60.65 62.54 1aug s ILE 792 Cb 0.10 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1aug s ILE 792 CO 0.72 0.42 0.28 -0.13 0.00 0.00 0.00 174.94 176.23 1aug s ARG 793 N -0.85 3.94 0.07 2.79 0.52 -0.86 -5.00 118.95 119.57 1aug s ARG 793 Ca 0.44 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 1aug s ARG 793 Cb -0.26 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 1aug s ARG 793 CO 0.33 -0.25 -0.08 0.20 0.02 0.00 0.00 175.30 175.51 1aug s GLY 794 N 1.71 0.68 0.05 -3.53 0.00 -1.26 -1.05 107.32 103.92 1aug s GLY 794 Ca 0.11 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 1aug s GLY 794 CO 0.11 -1.12 0.40 0.61 0.00 0.00 0.00 173.10 173.09 1aug n GLY 795 N 0.79 0.95 3.11 0.20 0.00 -0.89 -0.90 105.19 108.45 1aug n GLY 795 Ca -0.18 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 1aug n GLY 795 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aug s PHE 796 N -4.24 1.04 -0.06 1.61 2.19 -1.26 -1.57 117.98 115.68 1aug s PHE 796 Ca 0.09 -0.35 0.01 0.00 0.33 0.00 0.00 56.93 57.00 1aug s PHE 796 Cb -0.01 -0.62 0.02 0.00 -1.31 0.00 0.00 43.02 41.10 1aug s PHE 796 CO 0.02 0.01 -0.06 0.42 1.83 0.00 0.00 175.22 177.44 1aug s ILE 797 N -0.87 0.68 -0.01 3.12 1.01 -0.27 -1.97 121.20 122.89 1aug s ILE 797 Ca -0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1aug s ILE 797 Cb -0.08 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1aug s ILE 797 CO 0.01 0.27 0.30 -1.00 0.00 0.00 0.00 174.94 174.52 1aug s HIS 798 N 1.12 3.62 0.19 3.97 3.76 -0.24 -2.14 115.29 125.57 1aug s HIS 798 Ca -0.07 0.70 0.09 0.00 -0.15 0.00 0.00 55.06 55.62 1aug s HIS 798 Cb -0.14 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1aug s HIS 798 CO -0.01 0.63 -0.18 0.96 -0.85 0.00 0.00 174.74 175.29 1aug s ILE 799 N -1.21 1.90 1.08 0.60 -4.36 -0.01 -1.00 121.20 118.20 1aug s ILE 799 Ca 0.25 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 1aug s ILE 799 Cb -0.14 -1.96 0.23 0.00 1.25 0.00 0.00 42.46 41.84 1aug s ILE 799 CO 0.13 -0.38 1.10 -2.84 0.24 0.00 0.00 174.94 173.19 1aug s PRO 800 N -3.08 -0.26 0.85 0.37 0.02 -1.26 0.33 135.00 131.97 1aug s PRO 800 Ca 0.19 0.25 -0.13 0.00 0.02 0.00 0.00 61.00 61.33 1aug s PRO 800 Cb -0.05 -1.68 0.07 0.00 0.02 0.00 0.00 34.50 32.86 1aug s PRO 800 CO 0.08 -3.14 0.93 0.66 -0.33 0.00 0.00 177.00 175.20 1aug n TYR 801 N -4.41 0.33 -3.72 6.54 4.01 -1.26 -4.68 117.16 113.96 1aug n TYR 801 Ca 0.08 0.36 -0.22 0.00 -0.16 0.00 0.00 57.90 57.96 1aug n TYR 801 Cb 0.58 -1.99 -0.02 0.00 -0.31 0.00 0.00 39.34 37.61 1aug n TYR 801 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1aug s ILE 802 N -2.25 5.13 0.41 -0.72 -4.36 -1.26 -1.82 121.20 116.32 1aug s ILE 802 Ca 0.68 -0.80 0.18 0.00 -0.26 0.00 0.00 60.65 60.44 1aug s ILE 802 Cb -0.27 -3.83 0.38 0.00 1.25 0.00 0.00 42.46 39.99 1aug s ILE 802 CO 0.57 -0.40 1.82 -0.65 0.24 0.00 0.00 174.94 176.52 1aug h PRO 803 N 1.00 0.40 0.00 0.37 0.11 -1.92 -0.59 132.00 131.36 1aug h PRO 803 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1aug h PRO 803 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1aug h PRO 803 CO 0.61 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.59 1aug h GLU 804 N 0.41 0.00 -0.01 1.05 3.07 -1.95 -0.30 114.58 116.86 1aug h GLU 804 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1aug h GLU 804 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1aug h GLU 804 CO -0.22 0.00 -0.54 1.04 -1.40 0.00 0.00 179.01 177.90 1aug n GLN 805 N -2.57 0.54 -1.04 2.33 6.02 -0.23 -4.38 117.38 118.05 1aug n GLN 805 Ca 0.00 -0.38 -0.11 0.00 -0.01 0.00 0.00 57.00 56.50 1aug n GLN 805 Cb 0.19 -1.49 0.17 0.00 1.02 0.00 0.00 30.24 30.13 1aug n GLN 805 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1aug n THR 806 N -0.90 2.70 0.13 5.09 -2.24 -0.12 -4.70 114.28 114.25 1aug n THR 806 Ca 0.08 -2.89 -0.22 0.00 -2.27 0.00 0.00 64.05 58.75 1aug n THR 806 Cb 0.37 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 1aug n THR 806 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1aug h LEU 807 N 1.22 0.72 0.00 3.22 4.07 -1.76 -3.35 115.31 119.43 1aug h LEU 807 Ca 0.31 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1aug h LEU 807 Cb 1.68 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.18 1aug h LEU 807 CO 0.60 1.62 -1.26 0.00 -1.08 0.00 0.00 178.44 178.32 1aug n GLN 808 N -3.65 0.30 -3.89 1.13 3.00 -1.26 -4.86 117.38 108.14 1aug n GLN 808 Ca -0.15 -0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 1aug n GLN 808 Cb 1.08 -1.55 -0.16 0.00 0.00 0.00 0.00 30.24 29.61 1aug n GLN 808 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1aug s LYS 809 N -3.22 1.41 0.05 -1.09 -2.85 -1.26 -5.10 119.74 107.68 1aug s LYS 809 Ca 0.02 -0.51 -0.31 0.00 -1.00 0.00 0.00 55.97 54.17 1aug s LYS 809 Cb 0.15 -2.00 -0.06 0.00 -2.06 0.00 0.00 37.83 33.86 1aug s LYS 809 CO 0.85 -0.44 1.30 -1.54 0.10 0.00 0.00 175.35 175.63 1aug s SER 810 N 1.64 6.95 0.06 0.03 1.04 -1.26 -4.50 113.70 117.65 1aug s SER 810 Ca 0.01 2.11 -0.15 0.00 0.48 0.00 0.00 55.95 58.39 1aug s SER 810 Cb -0.15 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.42 1aug s SER 810 CO -0.08 -0.60 0.35 0.00 0.98 0.00 0.00 173.24 173.90 1aug s ALA 811 N 1.54 -0.81 0.83 5.32 0.00 -1.26 -5.11 121.76 122.26 1aug s ALA 811 Ca 0.61 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1aug s ALA 811 Cb -0.31 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.30 1aug s ALA 811 CO 0.28 -0.47 1.12 -2.14 0.00 0.00 0.00 175.76 174.55 1aug s PRO 812 N -2.80 1.71 0.23 0.00 0.02 -1.26 -4.90 135.00 127.99 1aug s PRO 812 Ca -0.03 1.38 -0.16 0.00 0.02 0.00 0.00 61.00 62.21 1aug s PRO 812 Cb -0.00 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1aug s PRO 812 CO -0.05 -2.09 0.53 -1.54 -0.33 0.00 0.00 177.00 173.52 1aug s SER 813 N -2.97 -0.18 0.01 2.53 1.04 -1.26 -4.34 113.70 108.53 1aug s SER 813 Ca 0.65 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1aug s SER 813 Cb -0.20 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 1aug s SER 813 CO 0.56 -1.13 -0.14 -0.76 0.98 0.00 0.00 173.24 172.76 1aug s LEU 814 N -2.94 2.09 0.61 2.42 1.43 -0.76 -4.93 118.68 116.62 1aug s LEU 814 Ca 0.14 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1aug s LEU 814 Cb -0.02 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1aug s LEU 814 CO 0.03 0.10 1.24 -0.94 0.23 0.00 0.00 176.35 177.01 1aug s SER 815 N -0.70 4.97 0.51 2.29 1.04 -1.26 -4.23 113.70 116.32 1aug s SER 815 Ca 0.03 2.47 0.25 0.00 0.48 0.00 0.00 55.95 59.19 1aug s SER 815 Cb -0.06 -2.61 1.36 0.00 0.10 0.00 0.00 66.02 64.81 1aug s SER 815 CO 0.00 -1.74 1.95 0.25 0.98 0.00 0.00 173.24 174.68 1aug h LEU 816 N 0.75 0.07 -0.73 2.42 5.85 -1.97 -0.91 115.31 120.79 1aug h LEU 816 Ca -0.51 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1aug h LEU 816 Cb 1.31 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1aug h LEU 816 CO 0.54 0.04 -0.30 0.44 -0.34 0.00 0.00 178.44 178.82 1aug h ASP 817 N 0.08 0.66 -0.12 1.25 3.32 -1.99 -1.04 116.42 118.57 1aug h ASP 817 Ca 0.32 -0.26 -0.23 0.00 0.02 0.00 0.00 57.03 56.89 1aug h ASP 817 Cb 1.17 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.55 1aug h ASP 817 CO -0.03 0.92 -0.80 0.45 -1.72 0.00 0.00 179.24 178.07 1aug h HIS 818 N 0.55 1.06 -0.15 4.55 3.86 -1.55 -2.56 115.15 120.91 1aug h HIS 818 Ca 0.07 -0.48 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1aug h HIS 818 Cb 0.79 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1aug h HIS 818 CO 0.03 1.31 0.06 0.82 0.86 0.00 0.00 177.93 181.01 1aug h ILE 819 N 0.52 1.15 -0.14 2.45 2.04 -1.28 -1.40 117.51 120.86 1aug h ILE 819 Ca -0.06 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1aug h ILE 819 Cb 1.43 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1aug h ILE 819 CO 0.16 0.14 -0.37 0.71 0.00 0.00 0.00 178.15 178.79 1aug h THR 820 N 0.08 1.30 -0.32 -0.27 1.35 -1.24 -1.64 112.91 112.18 1aug h THR 820 Ca 0.05 -1.45 -0.12 0.00 -0.55 0.00 0.00 66.41 64.34 1aug h THR 820 Cb 0.17 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1aug h THR 820 CO -0.00 0.44 -0.30 0.50 -0.25 0.00 0.00 175.52 175.90 1aug h LYS 821 N 0.26 0.67 -0.67 4.72 3.64 -1.41 -1.42 116.57 122.36 1aug h LYS 821 Ca 0.03 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.03 1aug h LYS 821 Cb 0.78 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1aug h LYS 821 CO 0.06 0.89 0.11 0.00 -2.27 0.00 0.00 179.45 178.24 1aug h ALA 822 N 1.09 0.89 -0.37 5.00 0.00 -0.85 -2.11 119.26 122.92 1aug h ALA 822 Ca 0.07 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1aug h ALA 822 Cb 0.80 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1aug h ALA 822 CO 0.07 0.65 -0.37 -0.07 0.00 0.00 0.00 179.25 179.53 1aug h LEU 823 N 1.03 0.93 -0.44 0.00 4.07 -1.11 -0.59 115.31 119.20 1aug h LEU 823 Ca 0.20 -0.42 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 1aug h LEU 823 Cb 0.44 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1aug h LEU 823 CO 0.01 1.20 0.10 0.50 -1.08 0.00 0.00 178.44 179.17 1aug h LYS 824 N 0.72 0.72 -0.96 1.13 3.64 -1.19 -1.85 116.57 118.79 1aug h LYS 824 Ca 0.06 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1aug h LYS 824 Cb 0.95 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 1aug h LYS 824 CO 0.09 0.72 0.63 0.82 -2.27 0.00 0.00 179.45 179.45 1aug h ILE 825 N 0.59 1.23 -0.33 2.00 2.04 -1.11 -1.99 117.51 119.93 1aug h ILE 825 Ca 0.14 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1aug h ILE 825 Cb 0.34 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1aug h ILE 825 CO 0.00 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.46 1aug h ALA 826 N 1.41 0.44 -0.57 1.87 0.00 -0.80 -0.82 119.26 120.79 1aug h ALA 826 Ca 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1aug h ALA 826 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1aug h ALA 826 CO -0.09 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.55 1aug h ALA 827 N 0.91 0.74 -0.33 0.00 0.00 -1.14 -1.41 119.26 118.03 1aug h ALA 827 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1aug h ALA 827 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1aug h ALA 827 CO 0.00 0.31 -0.08 0.28 0.00 0.00 0.00 179.25 179.76 1aug h VAL 828 N 0.78 1.28 -0.76 0.00 2.07 -1.33 -1.25 116.25 117.04 1aug h VAL 828 Ca 0.20 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1aug h VAL 828 Cb 0.13 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1aug h VAL 828 CO -0.02 0.37 0.29 0.74 0.02 0.00 0.00 177.57 178.97 1aug h THR 829 N 0.43 1.26 -0.25 2.57 2.02 -1.02 -1.10 112.91 116.82 1aug h THR 829 Ca 0.08 -0.83 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 1aug h THR 829 Cb 0.58 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1aug h THR 829 CO 0.03 0.33 -0.45 0.00 0.37 0.00 0.00 175.52 175.81 1aug h ALA 830 N 1.20 0.75 -0.08 6.16 0.00 -1.17 -2.38 119.26 123.74 1aug h ALA 830 Ca 0.25 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1aug h ALA 830 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1aug h ALA 830 CO -0.02 0.66 -0.48 0.00 0.00 0.00 0.00 179.25 179.42 1aug h ALA 831 N 1.00 1.04 0.00 0.00 0.00 -0.78 -3.27 119.26 117.24 1aug h ALA 831 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1aug h ALA 831 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1aug h ALA 831 CO 0.09 0.64 -0.63 0.28 0.00 0.00 0.00 179.25 179.63 1aug h VAL 832 N 0.17 0.06 -3.46 0.00 2.07 -1.08 -3.46 116.25 110.54 1aug h VAL 832 Ca 0.01 -1.09 -0.43 0.00 0.82 0.00 0.00 66.70 66.00 1aug h VAL 832 Cb 0.91 1.75 -0.34 0.00 -1.52 0.00 0.00 31.29 32.09 1aug h VAL 832 CO 0.07 0.03 -0.78 -1.00 0.02 0.00 0.00 177.57 175.91 1aug s HIS 833 N -3.27 0.91 -0.13 1.57 3.76 -0.91 -4.97 115.29 112.24 1aug s HIS 833 Ca 0.02 -0.28 0.15 0.00 -0.15 0.00 0.00 55.06 54.81 1aug s HIS 833 Cb 0.08 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1aug s HIS 833 CO 0.74 -0.20 1.22 0.93 -0.85 0.00 0.00 174.74 176.59 1aug h GLU 834 N 7.09 0.00 -6.19 1.40 3.07 -1.89 -3.44 114.58 114.62 1aug h GLU 834 Ca -0.37 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.83 1aug h GLU 834 Cb 1.16 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.94 1aug h GLU 834 CO 0.48 0.46 -0.64 0.16 -1.40 0.00 0.00 179.01 178.06 1aug s ASP 835 N -6.24 5.14 0.33 1.42 -4.77 -1.26 -4.80 116.67 106.48 1aug s ASP 835 Ca 0.01 -0.03 -0.01 0.00 -3.30 0.00 0.00 52.55 49.23 1aug s ASP 835 Cb 0.08 -1.33 -0.04 0.00 -1.09 0.00 0.00 42.92 40.55 1aug s ASP 835 CO 0.77 0.26 0.54 -0.62 0.70 0.00 0.00 175.17 176.82 1aug s ASP 836 N -1.74 6.32 0.67 2.11 -1.08 -1.26 -4.93 116.67 116.77 1aug s ASP 836 Ca 0.21 0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 52.66 1aug s ASP 836 Cb -0.12 -2.05 0.03 0.00 -1.46 0.00 0.00 42.92 39.32 1aug s ASP 836 CO 0.12 -0.27 1.01 -0.51 0.52 0.00 0.00 175.17 176.05 1aug s ILE 837 N -2.26 3.19 -0.32 4.11 2.07 -1.26 -5.03 121.20 121.69 1aug s ILE 837 Ca 0.41 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.77 1aug s ILE 837 Cb -0.10 -3.34 0.09 0.00 0.13 0.00 0.00 42.46 39.24 1aug s ILE 837 CO 0.35 -0.39 0.03 -1.61 -1.91 0.00 0.00 174.94 171.41 1aug s GLU 838 N -5.21 1.86 0.00 3.50 2.02 -1.26 -4.80 118.70 114.81 1aug s GLU 838 Ca 0.57 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1aug s GLU 838 Cb -0.11 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1aug s GLU 838 CO 0.48 -0.83 0.00 2.41 0.02 0.00 0.00 175.26 177.34 1aug n THR 839 N 4.39 0.00 -0.71 3.63 -1.04 -1.26 -5.20 114.28 114.09 1aug n THR 839 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1aug n THR 839 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1aug n THR 839 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04