#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4x s HIS 601 N 0.00 3.67 -0.28 3.17 5.04 -1.26 -5.07 115.29 120.57 1r4x s HIS 601 Ca 0.00 0.99 -0.10 0.00 -1.54 0.00 0.00 55.06 54.41 1r4x s HIS 601 Cb 0.00 -2.40 -0.04 0.00 0.04 0.00 0.00 32.58 30.19 1r4x s HIS 601 CO 0.00 0.49 0.15 -1.01 -2.34 0.00 0.00 174.74 172.03 1r4x s HIS 602 N -0.54 3.17 0.47 3.88 3.76 -1.26 -5.08 115.29 119.69 1r4x s HIS 602 Ca 0.25 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 1r4x s HIS 602 Cb -0.17 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.13 1r4x s HIS 602 CO 0.13 -0.27 0.85 -1.01 -0.85 0.00 0.00 174.74 173.59 1r4x s HIS 603 N 1.69 3.50 -0.07 1.40 3.76 -1.26 -5.08 115.29 119.24 1r4x s HIS 603 Ca 0.06 1.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.99 1r4x s HIS 603 Cb -0.16 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 1r4x s HIS 603 CO 0.08 -0.27 0.27 -1.01 -0.85 0.00 0.00 174.74 172.96 1r4x s HIS 604 N -2.60 3.65 0.03 1.40 3.76 -1.26 -5.07 115.29 115.20 1r4x s HIS 604 Ca 0.53 0.75 -0.30 0.00 -0.15 0.00 0.00 55.06 55.88 1r4x s HIS 604 Cb -0.10 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 1r4x s HIS 604 CO 0.37 0.66 1.03 -1.58 -0.85 0.00 0.00 174.74 174.38 1r4x s HIS 605 N -0.96 3.62 -0.20 1.40 2.46 -1.26 -5.03 115.29 115.32 1r4x s HIS 605 Ca 0.19 1.61 -0.05 0.00 0.47 0.00 0.00 55.06 57.28 1r4x s HIS 605 Cb -0.14 -3.19 -0.03 0.00 -0.13 0.00 0.00 32.58 29.09 1r4x s HIS 605 CO 0.08 -0.30 0.00 -1.01 -2.47 0.00 0.00 174.74 171.04 1r4x s HIS 606 N 0.88 3.05 0.21 3.88 3.76 -1.26 -5.09 115.29 120.73 1r4x s HIS 606 Ca 0.53 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 1r4x s HIS 606 Cb -0.23 -2.08 -0.09 0.00 1.11 0.00 0.00 32.58 31.28 1r4x s HIS 606 CO 0.29 -0.20 1.39 -1.64 -0.85 0.00 0.00 174.74 173.73 1r4x s MET 607 N 0.94 4.32 0.72 1.40 -1.94 -1.26 -5.01 119.30 118.46 1r4x s MET 607 Ca 0.01 2.18 -0.11 0.00 -1.71 0.00 0.00 55.69 56.07 1r4x s MET 607 Cb -0.14 -3.16 0.03 0.00 2.01 0.00 0.00 34.83 33.56 1r4x s MET 607 CO 0.02 -0.37 1.09 0.95 -0.01 0.00 0.00 175.02 176.69 1r4x s THR 608 N 0.27 3.08 0.30 2.05 -4.23 -1.26 -4.89 115.64 110.97 1r4x s THR 608 Ca 0.60 0.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.41 1r4x s THR 608 Cb -0.39 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.41 1r4x s THR 608 CO 0.39 -0.42 1.80 -0.09 -0.54 0.00 0.00 174.62 175.75 1r4x h ARG 609 N -0.68 0.81 -0.24 3.99 2.43 -1.99 -0.95 114.38 117.74 1r4x h ARG 609 Ca -0.45 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.48 1r4x h ARG 609 Cb 1.28 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1r4x h ARG 609 CO 0.64 0.54 -0.59 0.37 -1.51 0.00 0.00 179.97 179.41 1r4x h GLN 610 N 0.84 0.80 -0.34 0.20 4.15 -1.99 -1.53 115.11 117.23 1r4x h GLN 610 Ca 0.55 -0.53 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1r4x h GLN 610 Cb 0.77 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1r4x h GLN 610 CO -0.34 1.16 -0.07 0.93 -1.93 0.00 0.00 178.83 178.58 1r4x h GLU 611 N 0.60 0.56 -0.09 1.69 5.08 -1.74 0.49 114.58 121.17 1r4x h GLU 611 Ca 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1r4x h GLU 611 Cb 1.20 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1r4x h GLU 611 CO 0.13 0.64 -0.06 0.82 -1.00 0.00 0.00 179.01 179.53 1r4x h ILE 612 N 0.53 1.35 -0.83 3.13 2.04 -1.04 -1.88 117.51 120.80 1r4x h ILE 612 Ca 0.10 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1r4x h ILE 612 Cb 0.45 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 1r4x h ILE 612 CO 0.02 0.32 0.53 -0.26 0.00 0.00 0.00 178.15 178.76 1r4x h PHE 613 N -0.20 0.98 -0.69 1.37 0.04 -1.16 -1.57 116.94 115.72 1r4x h PHE 613 Ca 0.02 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1r4x h PHE 613 Cb 0.55 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 1r4x h PHE 613 CO 0.08 0.55 0.41 0.37 -0.60 0.00 0.00 178.31 179.12 1r4x h GLN 614 N 1.01 0.76 -0.34 1.51 5.75 -0.72 0.11 115.11 123.20 1r4x h GLN 614 Ca 0.34 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1r4x h GLN 614 Cb 0.05 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1r4x h GLN 614 CO -0.13 0.50 0.16 1.49 -2.65 0.00 0.00 178.83 178.20 1r4x h GLU 615 N 0.78 0.49 -0.36 1.69 4.81 -0.93 -0.45 114.58 120.61 1r4x h GLU 615 Ca 0.29 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1r4x h GLU 615 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1r4x h GLU 615 CO -0.14 0.45 0.19 1.96 -0.73 0.00 0.00 179.01 180.74 1r4x h GLN 616 N 0.40 0.51 -0.17 1.92 4.20 -0.77 -2.54 115.11 118.66 1r4x h GLN 616 Ca 0.11 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1r4x h GLN 616 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1r4x h GLN 616 CO -0.01 0.44 -0.55 -0.07 -0.67 0.00 0.00 178.83 177.96 1r4x h LEU 617 N 0.45 0.58 -1.89 1.46 3.38 -0.74 -2.77 115.31 115.79 1r4x h LEU 617 Ca 0.13 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1r4x h LEU 617 Cb 0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1r4x h LEU 617 CO -0.02 1.02 -0.11 0.00 0.09 0.00 0.00 178.44 179.42 1r4x h ALA 618 N 1.00 1.20 0.00 1.53 0.00 -0.98 -1.93 119.26 120.08 1r4x h ALA 618 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r4x h ALA 618 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r4x h ALA 618 CO 0.10 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1r4x n ALA 619 N -2.24 2.07 -2.59 0.00 0.00 -0.97 -4.69 120.51 112.09 1r4x n ALA 619 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1r4x n ALA 619 Cb 0.25 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1r4x n ALA 619 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1r4x s VAL 620 N -3.04 4.82 0.43 0.00 1.01 -0.73 -4.94 120.40 117.94 1r4x s VAL 620 Ca 0.11 0.81 0.14 0.00 0.00 0.00 0.00 61.98 63.03 1r4x s VAL 620 Cb 0.14 -4.13 0.33 0.00 0.00 0.00 0.00 36.38 32.73 1r4x s VAL 620 CO 0.45 -0.33 1.96 -0.65 0.00 0.00 0.00 175.10 176.53 1r4x h PRO 621 N 8.39 0.43 0.00 2.72 0.11 -1.86 -0.51 132.00 141.27 1r4x h PRO 621 Ca -0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1r4x h PRO 621 Cb 1.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1r4x h PRO 621 CO 0.87 0.28 -0.05 0.93 -0.21 0.00 0.00 178.00 179.82 1r4x h GLU 622 N 0.44 0.00 -0.64 1.05 3.07 -1.93 -2.71 114.58 113.86 1r4x h GLU 622 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1r4x h GLU 622 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1r4x h GLU 622 CO -0.09 0.05 0.00 1.19 -1.40 0.00 0.00 179.01 178.76 1r4x n PHE 623 N -3.65 0.85 -0.35 4.33 3.72 -0.20 -4.67 117.46 117.49 1r4x n PHE 623 Ca -0.02 -0.42 0.07 0.00 -0.05 0.00 0.00 57.45 57.02 1r4x n PHE 623 Cb 0.16 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.93 1r4x n PHE 623 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1r4x h ARG 624 N 4.22 0.92 -0.65 -1.08 9.65 -1.55 -2.72 114.38 123.16 1r4x h ARG 624 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1r4x h ARG 624 Cb 0.96 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1r4x h ARG 624 CO 0.00 0.61 0.00 0.41 2.80 0.00 0.00 179.97 183.79 1r4x n GLY 625 N -1.34 2.36 0.06 2.80 0.00 -1.26 -4.47 105.19 103.33 1r4x n GLY 625 Ca 0.18 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.66 1r4x n GLY 625 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r4x n LEU 626 N 0.64 0.45 0.00 0.99 4.77 -1.03 -5.03 117.00 117.79 1r4x n LEU 626 Ca 0.20 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.74 1r4x n LEU 626 Cb 0.84 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1r4x n LEU 626 CO 0.22 -0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 176.74 1r4x n GLY 627 N 1.29 -2.14 3.77 -0.72 0.00 -1.26 -4.46 105.19 101.66 1r4x n GLY 627 Ca 0.06 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1r4x n GLY 627 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r4x s PRO 628 N -0.76 3.83 0.19 1.61 0.04 -1.26 -4.95 135.00 133.71 1r4x s PRO 628 Ca 0.00 2.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.85 1r4x s PRO 628 Cb 0.00 -2.65 -0.12 0.00 0.04 0.00 0.00 34.50 31.78 1r4x s PRO 628 CO 0.00 -0.60 1.73 -1.17 0.04 0.00 0.00 177.00 177.00 1r4x s LEU 629 N -2.65 4.37 -0.20 -3.56 2.96 -1.26 -4.47 118.68 113.87 1r4x s LEU 629 Ca 0.60 2.83 -0.21 0.00 -0.22 0.00 0.00 54.13 57.13 1r4x s LEU 629 Cb -0.37 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.53 1r4x s LEU 629 CO 0.47 -0.97 0.23 0.15 -1.32 0.00 0.00 176.35 174.92 1r4x h PHE 630 N 7.05 0.02 -2.79 5.38 3.57 -1.02 -3.49 116.94 125.66 1r4x h PHE 630 Ca -0.43 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1r4x h PHE 630 Cb 1.20 -0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.81 1r4x h PHE 630 CO 0.66 1.50 0.22 -1.59 -2.23 0.00 0.00 178.31 176.87 1r4x s LYS 631 N -2.37 1.22 0.04 1.11 -2.85 -1.02 -5.00 119.74 110.87 1r4x s LYS 631 Ca -0.28 -0.33 0.05 0.00 -1.00 0.00 0.00 55.97 54.40 1r4x s LYS 631 Cb 0.06 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 1r4x s LYS 631 CO 0.60 -0.51 -0.14 -1.12 0.10 0.00 0.00 175.35 174.28 1r4x s SER 632 N -2.46 1.60 0.26 0.03 0.01 -1.26 0.05 113.70 111.94 1r4x s SER 632 Ca -0.01 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1r4x s SER 632 Cb -0.01 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 1r4x s SER 632 CO -0.09 0.03 1.43 -0.94 0.41 0.00 0.00 173.24 174.08 1r4x s SER 633 N -1.11 6.66 0.50 2.44 1.04 0.31 -4.86 113.70 118.68 1r4x s SER 633 Ca 0.01 2.68 0.24 0.00 0.48 0.00 0.00 55.95 59.36 1r4x s SER 633 Cb -0.08 -2.63 1.33 0.00 0.10 0.00 0.00 66.02 64.75 1r4x s SER 633 CO 0.01 -0.69 2.05 1.55 0.98 0.00 0.00 173.24 177.14 1r4x h PRO 634 N 4.85 0.00 -4.09 4.02 0.13 -1.99 -3.42 132.00 131.50 1r4x h PRO 634 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1r4x h PRO 634 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1r4x h PRO 634 CO 0.76 0.14 -0.74 -1.83 -0.23 0.00 0.00 178.00 176.11 1r4x s GLU 635 N -4.27 0.26 0.95 0.86 1.03 -1.26 -5.15 118.70 111.12 1r4x s GLU 635 Ca -0.03 -0.19 -0.12 0.00 0.03 0.00 0.00 54.97 54.66 1r4x s GLU 635 Cb 0.14 -0.21 0.16 0.00 -0.80 0.00 0.00 34.13 33.41 1r4x s GLU 635 CO 0.61 0.06 1.11 -1.25 -1.33 0.00 0.00 175.26 174.45 1r4x s PRO 636 N -0.27 0.84 -0.06 -4.83 0.04 -1.26 -4.94 135.00 124.52 1r4x s PRO 636 Ca -0.01 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.55 1r4x s PRO 636 Cb -0.02 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1r4x s PRO 636 CO -0.00 -2.44 -0.18 0.14 0.04 0.00 0.00 177.00 174.55 1r4x s VAL 637 N -3.08 2.66 0.01 -0.36 -7.23 -0.40 -4.90 120.40 107.11 1r4x s VAL 637 Ca 0.64 -0.85 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1r4x s VAL 637 Cb -0.17 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1r4x s VAL 637 CO 0.56 0.57 0.73 0.00 -0.31 0.00 0.00 175.10 176.65 1r4x s ALA 638 N -0.37 3.37 -1.36 1.32 0.00 -1.26 -0.55 121.76 122.92 1r4x s ALA 638 Ca 0.03 0.22 0.14 0.00 0.00 0.00 0.00 51.96 52.35 1r4x s ALA 638 Cb -0.12 -2.96 0.29 0.00 0.00 0.00 0.00 23.12 20.33 1r4x s ALA 638 CO 0.02 0.04 1.19 1.28 0.00 0.00 0.00 175.76 178.29 1r4x n LEU 639 N 3.03 2.83 -4.30 0.00 4.77 -0.21 -4.94 117.00 118.18 1r4x n LEU 639 Ca -0.03 -1.66 -0.16 0.00 -0.03 0.00 0.00 56.01 54.13 1r4x n LEU 639 Cb 0.51 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1r4x n LEU 639 CO 0.47 0.66 -0.38 0.42 -1.33 0.00 0.00 177.39 177.22 1r4x s THR 640 N -1.05 1.24 0.54 -5.08 -4.23 -1.26 -0.85 115.64 104.95 1r4x s THR 640 Ca 0.25 -2.08 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 1r4x s THR 640 Cb 0.14 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1r4x s THR 640 CO 0.19 -0.55 1.18 -1.61 -0.54 0.00 0.00 174.62 173.29 1r4x s GLU 641 N -3.77 3.29 0.64 3.99 0.41 -1.26 -4.94 118.70 117.06 1r4x s GLU 641 Ca 0.22 1.76 -0.18 0.00 -0.41 0.00 0.00 54.97 56.37 1r4x s GLU 641 Cb 0.03 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 1r4x s GLU 641 CO 0.05 -0.94 1.25 0.43 -0.49 0.00 0.00 175.26 175.56 1r4x n SER 642 N -1.22 1.92 -2.15 -0.19 7.64 -1.26 -2.89 113.62 115.47 1r4x n SER 642 Ca 0.11 0.83 -0.21 0.00 1.01 0.00 0.00 58.87 60.62 1r4x n SER 642 Cb 0.49 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 1r4x n SER 642 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r4x n GLU 643 N -1.73 -1.60 -1.64 1.43 -0.58 -1.26 -5.01 120.64 110.26 1r4x n GLU 643 Ca 0.15 1.07 -0.06 0.00 -0.42 0.00 0.00 57.16 57.91 1r4x n GLU 643 Cb 0.48 -5.65 0.02 0.00 -0.57 0.00 0.00 31.44 25.72 1r4x n GLU 643 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1r4x n THR 644 N -3.56 0.00 0.03 2.62 -2.24 -1.14 -5.02 114.28 104.96 1r4x n THR 644 Ca -0.24 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1r4x n THR 644 Cb 0.69 -0.79 0.31 0.00 -2.10 0.00 0.00 70.33 68.44 1r4x n THR 644 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1r4x h GLU 645 N 0.00 0.46 -6.47 -0.78 3.07 -1.95 -3.44 114.58 105.47 1r4x h GLU 645 Ca -0.08 -0.10 -0.63 0.00 -0.50 0.00 0.00 59.36 58.05 1r4x h GLU 645 Cb 0.35 -0.07 -0.24 0.00 -0.84 0.00 0.00 28.75 27.95 1r4x h GLU 645 CO 0.11 0.52 -0.85 0.71 -1.40 0.00 0.00 179.01 178.10 1r4x s TYR 646 N -4.90 2.05 -0.23 4.33 2.02 -1.26 -1.67 117.35 117.70 1r4x s TYR 646 Ca -0.07 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 1r4x s TYR 646 Cb 0.15 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 1r4x s TYR 646 CO 0.76 0.19 -0.04 0.08 -1.57 0.00 0.00 175.55 174.97 1r4x s VAL 647 N -0.96 3.29 -0.25 0.71 1.01 -0.77 -4.79 120.40 118.63 1r4x s VAL 647 Ca 0.10 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1r4x s VAL 647 Cb -0.10 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1r4x s VAL 647 CO 0.04 0.39 -0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1r4x s ILE 648 N 1.46 1.54 -0.22 2.22 -1.09 -1.26 -1.10 121.20 122.74 1r4x s ILE 648 Ca 0.05 -1.36 -0.05 0.00 -2.23 0.00 0.00 60.65 57.06 1r4x s ILE 648 Cb -0.15 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1r4x s ILE 648 CO -0.04 -0.22 -0.01 -0.13 -1.23 0.00 0.00 174.94 173.31 1r4x s ARG 649 N 1.36 3.49 -0.19 2.79 0.52 -0.32 -1.04 118.95 125.56 1r4x s ARG 649 Ca -0.02 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.56 1r4x s ARG 649 Cb -0.19 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1r4x s ARG 649 CO -0.08 -0.14 0.01 0.00 0.02 0.00 0.00 175.30 175.10 1r4x s THR 651 N 0.82 2.97 -0.17 0.00 2.01 -0.24 -1.27 115.64 119.75 1r4x s THR 651 Ca 0.01 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1r4x s THR 651 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1r4x s THR 651 CO 0.02 0.53 0.38 -0.54 -0.69 0.00 0.00 174.62 174.32 1r4x s LYS 652 N 0.35 4.24 -0.19 4.92 1.02 -1.26 -1.10 119.74 127.72 1r4x s LYS 652 Ca -0.12 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.09 1r4x s LYS 652 Cb -0.16 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1r4x s LYS 652 CO 0.06 0.10 -0.14 -1.01 -0.92 0.00 0.00 175.35 173.44 1r4x s HIS 653 N 0.88 2.84 -0.18 3.18 3.76 0.14 -0.53 115.29 125.37 1r4x s HIS 653 Ca 0.20 -1.30 -0.09 0.00 -0.15 0.00 0.00 55.06 53.71 1r4x s HIS 653 Cb -0.14 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 1r4x s HIS 653 CO 0.07 -0.66 0.11 0.99 -0.85 0.00 0.00 174.74 174.40 1r4x s THR 654 N 1.27 5.27 0.42 1.30 2.01 0.11 -0.73 115.64 125.28 1r4x s THR 654 Ca 0.03 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1r4x s THR 654 Cb -0.14 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.02 1r4x s THR 654 CO -0.07 0.48 0.19 0.49 -0.69 0.00 0.00 174.62 175.02 1r4x n PHE 655 N 3.26 -0.11 -0.25 4.92 3.01 -0.33 -0.34 117.46 127.62 1r4x n PHE 655 Ca -0.17 -1.88 -0.06 0.00 1.01 0.00 0.00 57.45 56.36 1r4x n PHE 655 Cb 0.53 -0.32 0.05 0.00 -0.01 0.00 0.00 39.48 39.73 1r4x n PHE 655 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1r4x h THR 656 N 0.86 1.21 0.00 4.37 2.02 -1.78 -3.33 112.91 116.26 1r4x h THR 656 Ca -0.30 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1r4x h THR 656 Cb 1.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1r4x h THR 656 CO 0.48 0.22 0.00 0.59 0.37 0.00 0.00 175.52 177.18 1r4x n ASN 657 N -4.52 1.06 -4.05 4.18 3.02 -1.26 -4.78 115.26 108.91 1r4x n ASN 657 Ca 0.06 -1.49 -0.10 0.00 -0.03 0.00 0.00 54.58 53.02 1r4x n ASN 657 Cb 0.07 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1r4x n ASN 657 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1r4x s HIS 658 N -0.49 0.62 -0.00 3.10 3.76 -1.25 -1.72 115.29 119.31 1r4x s HIS 658 Ca 0.00 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 53.98 1r4x s HIS 658 Cb 0.00 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.50 1r4x s HIS 658 CO 0.00 -0.72 -0.07 1.41 -0.85 0.00 0.00 174.74 174.51 1r4x s MET 659 N -4.03 0.60 -0.17 1.40 1.75 -0.38 -1.18 119.30 117.29 1r4x s MET 659 Ca 0.24 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.36 1r4x s MET 659 Cb 0.04 -0.58 -0.02 0.00 2.84 0.00 0.00 34.83 37.11 1r4x s MET 659 CO 0.04 0.16 -0.06 0.08 -0.65 0.00 0.00 175.02 174.59 1r4x s VAL 660 N -0.21 3.56 -0.30 10.11 1.01 0.10 -1.12 120.40 133.55 1r4x s VAL 660 Ca 0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1r4x s VAL 660 Cb -0.03 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1r4x s VAL 660 CO -0.00 0.47 0.31 -0.36 0.00 0.00 0.00 175.10 175.52 1r4x s PHE 661 N 0.75 3.23 -0.22 5.22 0.08 -0.09 -0.69 117.98 126.26 1r4x s PHE 661 Ca -0.02 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 1r4x s PHE 661 Cb -0.15 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.71 1r4x s PHE 661 CO 0.02 -0.28 0.14 -1.14 -0.10 0.00 0.00 175.22 173.86 1r4x s GLN 662 N 1.95 4.14 -0.22 0.44 0.74 -0.26 -1.25 119.66 125.20 1r4x s GLN 662 Ca 0.11 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.29 1r4x s GLN 662 Cb -0.16 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.51 1r4x s GLN 662 CO 0.11 0.19 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.84 1r4x s PHE 663 N 0.67 2.99 -0.34 1.67 0.08 -0.02 -1.08 117.98 121.95 1r4x s PHE 663 Ca 0.08 -1.82 -0.15 0.00 0.12 0.00 0.00 56.93 55.16 1r4x s PHE 663 Cb -0.12 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1r4x s PHE 663 CO 0.01 -0.81 0.36 -0.51 -0.10 0.00 0.00 175.22 174.17 1r4x s ASP 664 N 1.24 6.18 -0.07 1.36 1.01 -0.44 -0.85 116.67 125.10 1r4x s ASP 664 Ca -0.00 -0.20 0.05 0.00 0.71 0.00 0.00 52.55 53.11 1r4x s ASP 664 Cb -0.16 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 1r4x s ASP 664 CO -0.09 -0.33 -0.22 0.00 0.21 0.00 0.00 175.17 174.75 1r4x s THR 666 N 0.09 1.66 -0.48 0.00 2.01 -0.26 -1.14 115.64 117.50 1r4x s THR 666 Ca -0.09 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.92 1r4x s THR 666 Cb -0.15 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1r4x s THR 666 CO 0.05 0.47 0.99 0.21 -0.69 0.00 0.00 174.62 175.65 1r4x s ASN 667 N 0.96 6.51 0.00 3.53 2.47 -1.26 -1.85 114.94 125.30 1r4x s ASN 667 Ca -0.06 0.14 0.19 0.00 0.42 0.00 0.00 52.86 53.55 1r4x s ASN 667 Cb -0.15 -2.48 0.53 0.00 -1.45 0.00 0.00 41.25 37.70 1r4x s ASN 667 CO -0.02 -1.15 1.43 0.35 -3.72 0.00 0.00 177.10 174.00 1r4x n THR 668 N 6.52 0.52 -3.56 -5.21 -2.24 -0.67 -0.77 114.28 108.87 1r4x n THR 668 Ca 0.07 -0.62 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 1r4x n THR 668 Cb 0.49 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 1r4x n THR 668 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r4x s LEU 669 N -1.27 4.15 0.00 3.22 1.43 -1.26 -4.85 118.68 120.09 1r4x s LEU 669 Ca 0.35 0.29 0.31 0.00 -1.03 0.00 0.00 54.13 54.05 1r4x s LEU 669 Cb 0.19 -2.26 1.60 0.00 0.03 0.00 0.00 46.19 45.75 1r4x s LEU 669 CO 0.27 0.03 2.06 -0.46 0.23 0.00 0.00 176.35 178.47 1r4x n ASN 670 N 4.23 0.51 -0.78 2.29 0.23 -1.26 -3.59 115.26 116.89 1r4x n ASN 670 Ca -0.13 -1.14 0.07 0.00 -0.53 0.00 0.00 54.58 52.86 1r4x n ASN 670 Cb 0.52 -0.01 0.21 0.00 -2.08 0.00 0.00 39.78 38.42 1r4x n ASN 670 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1r4x n ASP 671 N -0.62 3.42 -3.83 0.53 5.75 -1.26 -3.84 116.55 116.70 1r4x n ASP 671 Ca 0.22 -2.49 -0.11 0.00 -0.01 0.00 0.00 54.79 52.40 1r4x n ASP 671 Cb 0.20 -0.39 -0.08 0.00 -1.03 0.00 0.00 41.12 39.82 1r4x n ASP 671 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r4x s GLN 672 N -1.88 0.68 -0.05 0.11 -2.07 -1.24 -1.60 119.66 113.61 1r4x s GLN 672 Ca 0.33 -0.53 0.06 0.00 -1.82 0.00 0.00 55.36 53.40 1r4x s GLN 672 Cb 0.23 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 1r4x s GLN 672 CO 0.13 -0.19 -0.23 0.99 -1.32 0.00 0.00 175.29 174.66 1r4x s THR 673 N -2.26 2.22 -0.01 3.63 2.01 -0.08 -3.99 115.64 117.17 1r4x s THR 673 Ca -0.07 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1r4x s THR 673 Cb -0.02 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1r4x s THR 673 CO -0.02 0.57 0.17 -0.76 -0.69 0.00 0.00 174.62 173.90 1r4x s LEU 674 N -0.33 4.34 0.14 4.42 1.43 -0.98 -1.13 118.68 126.57 1r4x s LEU 674 Ca 0.02 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1r4x s LEU 674 Cb -0.12 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1r4x s LEU 674 CO 0.02 0.27 -0.13 -1.61 0.23 0.00 0.00 176.35 175.14 1r4x s GLU 675 N -1.89 1.07 -1.18 1.70 2.02 0.27 -0.29 118.70 120.40 1r4x s GLU 675 Ca 0.27 -1.35 -0.15 0.00 0.02 0.00 0.00 54.97 53.76 1r4x s GLU 675 Cb -0.13 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 1r4x s GLU 675 CO 0.18 0.14 0.75 -1.71 0.02 0.00 0.00 175.26 174.64 1r4x n ASN 676 N 0.17 -4.40 -4.70 -0.19 5.15 -0.74 -0.92 115.26 109.63 1r4x n ASN 676 Ca -0.13 -0.96 -0.37 0.00 -0.60 0.00 0.00 54.58 52.52 1r4x n ASN 676 Cb 0.59 -3.61 -0.08 0.00 -0.53 0.00 0.00 39.78 36.15 1r4x n ASN 676 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1r4x s VAL 677 N -3.54 5.29 0.20 3.44 1.01 -0.16 -4.20 120.40 122.44 1r4x s VAL 677 Ca 0.37 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1r4x s VAL 677 Cb -0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1r4x s VAL 677 CO 0.85 0.34 -0.01 0.42 0.00 0.00 0.00 175.10 176.70 1r4x s THR 678 N 0.83 0.91 -0.38 3.92 -4.23 -0.39 -0.80 115.64 115.50 1r4x s THR 678 Ca 0.15 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1r4x s THR 678 Cb -0.13 -2.22 0.10 0.00 1.34 0.00 0.00 72.50 71.59 1r4x s THR 678 CO 0.05 -0.42 0.15 -0.69 -0.54 0.00 0.00 174.62 173.18 1r4x s VAL 679 N -3.50 3.09 0.30 2.29 1.01 -1.26 -0.62 120.40 121.71 1r4x s VAL 679 Ca 0.26 -2.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.93 1r4x s VAL 679 Cb 0.05 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1r4x s VAL 679 CO 0.06 -0.60 1.43 -1.58 0.00 0.00 0.00 175.10 174.41 1r4x s GLN 680 N 1.12 4.24 -0.05 2.72 0.74 -0.02 -4.82 119.66 123.59 1r4x s GLN 680 Ca 0.07 2.36 0.01 0.00 0.05 0.00 0.00 55.36 57.86 1r4x s GLN 680 Cb -0.22 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 30.85 1r4x s GLN 680 CO -0.04 -0.40 -0.05 -1.64 -0.55 0.00 0.00 175.29 172.60 1r4x s MET 681 N -1.12 0.92 -0.24 1.67 -1.94 -1.26 -1.28 119.30 116.05 1r4x s MET 681 Ca 0.56 -0.14 0.02 0.00 -1.71 0.00 0.00 55.69 54.42 1r4x s MET 681 Cb -0.43 -0.89 0.05 0.00 2.01 0.00 0.00 34.83 35.57 1r4x s MET 681 CO 0.50 -0.07 -0.11 -1.21 -0.01 0.00 0.00 175.02 174.12 1r4x s GLU 682 N 0.88 2.23 0.41 2.03 2.02 -0.15 -4.90 118.70 121.22 1r4x s GLU 682 Ca -0.12 -1.20 -0.18 0.00 0.02 0.00 0.00 54.97 53.50 1r4x s GLU 682 Cb -0.14 -2.77 -0.10 0.00 0.10 0.00 0.00 34.13 31.22 1r4x s GLU 682 CO 0.01 -0.52 0.87 -1.25 0.02 0.00 0.00 175.26 174.39 1r4x s PRO 683 N 1.18 4.08 0.24 0.39 0.04 -1.26 -1.13 135.00 138.54 1r4x s PRO 683 Ca -0.06 0.90 0.13 0.00 0.04 0.00 0.00 61.00 62.00 1r4x s PRO 683 Cb -0.19 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1r4x s PRO 683 CO -0.06 -0.00 1.42 1.79 0.04 0.00 0.00 177.00 180.18 1r4x h THR 684 N 1.72 1.12 -4.41 1.26 1.35 -1.41 -3.48 112.91 109.07 1r4x h THR 684 Ca -0.48 -2.53 -0.23 0.00 -0.55 0.00 0.00 66.41 62.61 1r4x h THR 684 Cb 1.18 2.52 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 1r4x h THR 684 CO 0.63 0.63 -0.16 -0.62 -0.25 0.00 0.00 175.52 175.74 1r4x n GLU 685 N -3.29 1.52 -0.70 4.72 -0.58 -1.26 -4.99 120.64 116.07 1r4x n GLU 685 Ca 0.01 -1.30 -0.09 0.00 -0.42 0.00 0.00 57.16 55.37 1r4x n GLU 685 Cb 0.78 0.32 0.02 0.00 -0.57 0.00 0.00 31.44 32.00 1r4x n GLU 685 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1r4x n ALA 686 N -2.45 4.55 -1.78 0.62 0.00 -1.26 -4.79 120.51 115.40 1r4x n ALA 686 Ca -0.07 -0.85 -0.37 0.00 0.00 0.00 0.00 53.44 52.14 1r4x n ALA 686 Cb 0.23 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1r4x n ALA 686 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1r4x s TYR 687 N -0.94 3.63 -0.12 0.00 1.51 -1.26 -3.75 117.35 116.42 1r4x s TYR 687 Ca 0.16 1.76 0.01 0.00 -1.01 0.00 0.00 57.07 57.99 1r4x s TYR 687 Cb 0.13 -3.00 0.02 0.00 -0.11 0.00 0.00 41.96 38.99 1r4x s TYR 687 CO -0.00 0.01 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.31 1r4x s GLU 688 N -2.01 2.14 0.00 -0.62 2.12 -0.96 -4.81 118.70 114.56 1r4x s GLU 688 Ca 0.50 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 1r4x s GLU 688 Cb -0.21 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.25 1r4x s GLU 688 CO 0.27 -0.12 1.30 0.08 -0.54 0.00 0.00 175.26 176.24 1r4x s VAL 689 N 1.17 3.91 -0.22 3.70 1.01 -1.26 -0.43 120.40 128.28 1r4x s VAL 689 Ca -0.03 1.30 0.19 0.00 0.00 0.00 0.00 61.98 63.45 1r4x s VAL 689 Cb -0.14 -3.84 -0.28 0.00 0.00 0.00 0.00 36.38 32.12 1r4x s VAL 689 CO -0.04 0.02 0.51 0.18 0.00 0.00 0.00 175.10 175.77 1r4x n LEU 690 N 4.97 0.20 -3.72 3.92 4.77 0.13 -4.93 117.00 122.34 1r4x n LEU 690 Ca 0.12 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1r4x n LEU 690 Cb 0.45 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1r4x n LEU 690 CO 0.57 0.05 -0.14 -0.31 -1.33 0.00 0.00 177.39 176.23 1r4x s TYR 692 N -3.21 -0.32 -0.39 -1.77 2.02 -1.26 -5.01 117.35 107.41 1r4x s TYR 692 Ca -0.04 0.77 -0.08 0.00 -0.37 0.00 0.00 57.07 57.36 1r4x s TYR 692 Cb 0.13 0.01 0.07 0.00 -0.40 0.00 0.00 41.96 41.76 1r4x s TYR 692 CO 0.79 -0.25 0.21 0.08 -1.57 0.00 0.00 175.55 174.82 1r4x s VAL 693 N 1.48 4.01 0.62 0.71 1.01 0.01 -5.00 120.40 123.25 1r4x s VAL 693 Ca -0.07 -1.39 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 1r4x s VAL 693 Cb -0.11 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1r4x s VAL 693 CO -0.08 -0.43 1.05 -2.16 0.00 0.00 0.00 175.10 173.48 1r4x s PRO 694 N 1.39 3.25 -0.20 2.72 0.04 -1.26 -0.75 135.00 140.19 1r4x s PRO 694 Ca 0.02 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 1r4x s PRO 694 Cb -0.22 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1r4x s PRO 694 CO 0.02 -0.86 0.79 0.00 0.04 0.00 0.00 177.00 176.99 1r4x s ALA 695 N -2.72 3.56 0.26 8.56 0.00 0.02 -4.77 121.76 126.68 1r4x s ALA 695 Ca 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 1r4x s ALA 695 Cb -0.14 -3.20 0.35 0.00 0.00 0.00 0.00 23.12 20.12 1r4x s ALA 695 CO 0.44 -0.72 1.72 0.00 0.00 0.00 0.00 175.76 177.20 1r4x h ARG 696 N 7.47 0.64 -2.52 0.00 2.47 -1.87 -0.36 114.38 120.21 1r4x h ARG 696 Ca -0.28 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.14 1r4x h ARG 696 Cb 1.12 -0.05 -0.26 0.00 -1.65 0.00 0.00 29.97 29.13 1r4x h ARG 696 CO 0.84 0.77 -0.26 0.45 0.56 0.00 0.00 179.97 182.33 1r4x s SER 697 N -6.75 -0.55 -0.68 7.04 0.15 -1.26 -1.79 113.70 109.86 1r4x s SER 697 Ca -0.08 1.01 0.05 0.00 0.70 0.00 0.00 55.95 57.63 1r4x s SER 697 Cb 0.14 0.97 0.18 0.00 -1.71 0.00 0.00 66.02 65.59 1r4x s SER 697 CO 0.80 -0.21 0.50 0.18 1.20 0.00 0.00 173.24 175.72 1r4x n LEU 698 N 4.45 2.77 -4.74 3.45 4.77 0.60 -4.74 117.00 123.56 1r4x n LEU 698 Ca -0.21 -5.16 -0.31 0.00 -0.03 0.00 0.00 56.01 50.31 1r4x n LEU 698 Cb 0.55 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1r4x n LEU 698 CO 0.05 1.79 0.70 -2.84 -1.33 0.00 0.00 177.39 175.76 1r4x s PRO 699 N -1.41 1.91 -0.21 3.23 0.02 -1.26 -2.31 135.00 134.97 1r4x s PRO 699 Ca 0.27 1.30 -0.42 0.00 0.02 0.00 0.00 61.00 62.17 1r4x s PRO 699 Cb -0.02 -1.85 -0.19 0.00 0.02 0.00 0.00 34.50 32.47 1r4x s PRO 699 CO -0.16 -1.93 1.42 0.98 -0.33 0.00 0.00 177.00 176.98 1r4x n TYR 700 N -3.68 1.43 -1.83 6.54 9.36 -1.26 -1.84 117.16 125.88 1r4x n TYR 700 Ca 0.10 0.92 -0.20 0.00 3.32 0.00 0.00 57.90 62.04 1r4x n TYR 700 Cb 0.53 -2.25 -0.06 0.00 -0.63 0.00 0.00 39.34 36.93 1r4x n TYR 700 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1r4x n ASN 701 N 3.25 -5.42 -3.98 2.98 3.02 0.05 -4.95 115.26 110.21 1r4x n ASN 701 Ca 0.25 0.35 -0.31 0.00 -0.03 0.00 0.00 54.58 54.84 1r4x n ASN 701 Cb 0.06 -4.72 -0.15 0.00 -0.61 0.00 0.00 39.78 34.37 1r4x n ASN 701 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1r4x s GLN 702 N -4.11 1.63 0.57 3.52 -0.21 -0.77 -5.04 119.66 115.25 1r4x s GLN 702 Ca 0.00 -2.12 -0.20 0.00 0.02 0.00 0.00 55.36 53.06 1r4x s GLN 702 Cb 0.00 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 1r4x s GLN 702 CO 0.00 -1.01 1.28 -2.14 -2.12 0.00 0.00 175.29 171.30 1r4x s PRO 703 N 0.48 3.02 0.11 2.91 0.02 -1.26 -4.30 135.00 135.98 1r4x s PRO 703 Ca 0.13 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1r4x s PRO 703 Cb -0.22 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1r4x s PRO 703 CO -0.06 -1.22 0.14 0.20 -0.33 0.00 0.00 177.00 175.73 1r4x s GLY 704 N -1.29 0.46 -0.08 0.52 0.00 -0.30 -4.95 107.32 101.68 1r4x s GLY 704 Ca 0.75 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 44.52 1r4x s GLY 704 CO 0.40 -1.04 -0.21 -1.59 0.00 0.00 0.00 173.10 170.66 1r4x s THR 705 N -3.94 2.36 0.30 0.90 2.01 -1.26 -0.29 115.64 115.72 1r4x s THR 705 Ca 0.13 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1r4x s THR 705 Cb 0.06 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1r4x s THR 705 CO -0.05 0.56 -0.11 0.00 -0.69 0.00 0.00 174.62 174.33 1r4x s TYR 707 N -2.74 0.73 -0.11 0.00 2.02 0.07 -0.84 117.35 116.48 1r4x s TYR 707 Ca 0.30 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1r4x s TYR 707 Cb 0.01 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 1r4x s TYR 707 CO 0.14 -0.07 -0.15 0.99 -1.57 0.00 0.00 175.55 174.89 1r4x s THR 708 N -1.42 1.50 -0.20 -0.71 2.01 -0.38 -0.81 115.64 115.62 1r4x s THR 708 Ca -0.09 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 1r4x s THR 708 Cb -0.10 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1r4x s THR 708 CO 0.00 0.44 0.13 -0.22 -0.69 0.00 0.00 174.62 174.28 1r4x s LEU 709 N 0.96 4.15 0.06 4.42 2.96 -1.26 -0.92 118.68 129.06 1r4x s LEU 709 Ca -0.07 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1r4x s LEU 709 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1r4x s LEU 709 CO -0.01 0.16 -0.15 0.68 -1.32 0.00 0.00 176.35 175.71 1r4x s VAL 710 N 0.46 1.18 0.24 1.68 -7.23 -0.27 0.18 120.40 116.64 1r4x s VAL 710 Ca 0.07 -1.22 -0.18 0.00 -1.81 0.00 0.00 61.98 58.84 1r4x s VAL 710 Cb -0.11 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 1r4x s VAL 710 CO -0.01 -0.12 0.72 0.00 -0.31 0.00 0.00 175.10 175.38 1r4x s ALA 711 N -1.11 3.40 0.55 1.32 0.00 0.43 -1.25 121.76 125.10 1r4x s ALA 711 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 1r4x s ALA 711 Cb -0.09 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1r4x s ALA 711 CO 0.02 0.34 1.00 -0.51 0.00 0.00 0.00 175.76 176.61 1r4x s LEU 712 N -2.20 3.53 0.13 0.00 1.43 -0.70 -2.26 118.68 118.61 1r4x s LEU 712 Ca 0.45 1.58 -0.33 0.00 -1.03 0.00 0.00 54.13 54.80 1r4x s LEU 712 Cb -0.15 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 41.44 1r4x s LEU 712 CO 0.20 -0.73 1.71 -2.65 0.23 0.00 0.00 176.35 175.11 1r4x n PRO 713 N -1.86 2.44 -0.10 1.29 -0.02 -1.25 -4.84 135.00 130.66 1r4x n PRO 713 Ca 0.07 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1r4x n PRO 713 Cb 0.54 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 1r4x n PRO 713 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1r4x n LYS 714 N 4.44 0.53 -0.10 -0.52 5.02 -1.26 -4.18 118.16 122.09 1r4x n LYS 714 Ca 0.18 0.33 -0.09 0.00 -2.02 0.00 0.00 58.31 56.70 1r4x n LYS 714 Cb 0.32 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1r4x n LYS 714 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1r4x h GLU 715 N -1.00 0.43 -3.20 1.97 9.09 -1.93 -3.33 114.58 116.60 1r4x h GLU 715 Ca -0.19 -0.04 -0.63 0.00 0.05 0.00 0.00 59.36 58.56 1r4x h GLU 715 Cb 1.06 -0.09 -0.41 0.00 -1.65 0.00 0.00 28.75 27.66 1r4x h GLU 715 CO -0.11 0.33 -0.65 0.34 0.05 0.00 0.00 179.01 178.96 1r4x s ASP 716 N -5.55 4.17 0.01 3.06 -1.08 -1.26 -4.99 116.67 111.04 1r4x s ASP 716 Ca -0.13 -3.09 0.15 0.00 -0.52 0.00 0.00 52.55 48.95 1r4x s ASP 716 Cb 0.10 -1.46 0.63 0.00 -1.46 0.00 0.00 42.92 40.72 1r4x s ASP 716 CO 0.72 -0.21 1.47 -0.81 0.52 0.00 0.00 175.17 176.85 1r4x n PRO 717 N 2.98 0.01 0.00 4.34 -0.05 -1.25 -2.00 135.00 139.02 1r4x n PRO 717 Ca 0.09 0.27 0.14 0.00 -0.05 0.00 0.00 63.50 63.95 1r4x n PRO 717 Cb 0.34 -1.52 0.70 0.00 -0.05 0.00 0.00 33.50 32.96 1r4x n PRO 717 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1r4x n THR 718 N -1.54 0.00 -1.93 0.52 -2.24 -1.26 -4.56 114.28 103.27 1r4x n THR 718 Ca 0.03 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1r4x n THR 718 Cb 0.17 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1r4x n THR 718 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4x n ALA 719 N -1.38 5.79 0.09 6.98 0.00 -0.85 -4.68 120.51 126.46 1r4x n ALA 719 Ca 0.11 -4.02 0.04 0.00 0.00 0.00 0.00 53.44 49.57 1r4x n ALA 719 Cb 0.29 -3.26 -0.02 0.00 0.00 0.00 0.00 19.45 16.45 1r4x n ALA 719 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1r4x h VAL 720 N 3.70 0.46 -3.26 0.00 -1.51 -1.88 -3.45 116.25 110.30 1r4x h VAL 720 Ca 0.55 -1.78 -0.53 0.00 -1.23 0.00 0.00 66.70 63.71 1r4x h VAL 720 Cb 0.57 2.03 0.02 0.00 -2.13 0.00 0.00 31.29 31.78 1r4x h VAL 720 CO 1.75 0.26 0.61 0.00 -1.23 0.00 0.00 177.57 178.97 1r4x s ALA 721 N -3.04 3.47 -0.24 5.19 0.00 -1.26 -4.32 121.76 121.56 1r4x s ALA 721 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 1r4x s ALA 721 Cb 0.08 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1r4x s ALA 721 CO 0.78 -0.47 0.64 0.00 0.00 0.00 0.00 175.76 176.71 1r4x s THR 723 N 0.51 3.70 -0.18 0.00 2.01 -1.26 -1.16 115.64 119.26 1r4x s THR 723 Ca -0.01 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1r4x s THR 723 Cb -0.05 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1r4x s THR 723 CO -0.02 0.54 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.02 1r4x s PHE 724 N -0.12 2.91 0.12 4.92 0.40 0.14 -0.94 117.98 125.41 1r4x s PHE 724 Ca 0.02 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.24 1r4x s PHE 724 Cb -0.13 -2.00 -0.07 0.00 0.51 0.00 0.00 43.02 41.34 1r4x s PHE 724 CO 0.03 -0.39 1.17 -1.12 0.70 0.00 0.00 175.22 175.60 1r4x s SER 725 N 0.98 7.13 -0.04 1.36 0.01 -0.28 -1.45 113.70 121.40 1r4x s SER 725 Ca -0.01 2.08 0.06 0.00 1.31 0.00 0.00 55.95 59.39 1r4x s SER 725 Cb -0.15 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1r4x s SER 725 CO -0.00 -0.38 -0.22 0.00 0.41 0.00 0.00 173.24 173.05 1r4x s MET 727 N -0.22 0.05 0.21 0.00 -2.45 -0.40 -1.94 119.30 114.55 1r4x s MET 727 Ca 0.00 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.61 1r4x s MET 727 Cb -0.12 -0.24 -0.09 0.00 1.25 0.00 0.00 34.83 35.63 1r4x s MET 727 CO 0.02 -0.25 1.29 -1.64 1.05 0.00 0.00 175.02 175.49 1r4x s MET 728 N 1.81 4.40 -0.03 4.11 -1.94 0.26 -0.84 119.30 127.07 1r4x s MET 728 Ca -0.02 2.05 0.05 0.00 -1.71 0.00 0.00 55.69 56.06 1r4x s MET 728 Cb -0.12 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1r4x s MET 728 CO -0.06 -0.22 -0.18 0.15 -0.01 0.00 0.00 175.02 174.71 1r4x s LYS 729 N -0.35 1.64 0.01 2.03 1.02 0.21 -1.39 119.74 122.91 1r4x s LYS 729 Ca 0.55 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 1r4x s LYS 729 Cb -0.36 -1.51 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 1r4x s LYS 729 CO 0.40 0.34 0.95 -0.59 -0.92 0.00 0.00 175.35 175.53 1r4x s PHE 730 N -0.26 -0.27 -0.16 3.18 -0.12 -0.88 -1.26 117.98 118.21 1r4x s PHE 730 Ca 0.03 0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 56.91 1r4x s PHE 730 Cb -0.09 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1r4x s PHE 730 CO 0.00 -0.56 0.20 0.99 -0.05 0.00 0.00 175.22 175.80 1r4x s THR 731 N -3.07 5.38 -0.20 -4.49 2.01 -0.10 -0.89 115.64 114.28 1r4x s THR 731 Ca 0.07 0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 1r4x s THR 731 Cb -0.01 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1r4x s THR 731 CO -0.06 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.78 1r4x s VAL 732 N -0.00 5.39 -0.15 3.82 1.01 0.58 -0.57 120.40 130.48 1r4x s VAL 732 Ca 0.13 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1r4x s VAL 732 Cb -0.12 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1r4x s VAL 732 CO 0.02 0.45 -0.18 -0.54 0.00 0.00 0.00 175.10 174.84 1r4x s LYS 733 N 0.32 2.69 0.31 2.72 1.02 -0.29 -1.67 119.74 124.85 1r4x s LYS 733 Ca 0.08 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1r4x s LYS 733 Cb -0.11 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 1r4x s LYS 733 CO -0.02 -0.14 1.36 -0.51 -0.92 0.00 0.00 175.35 175.12 1r4x s ASP 734 N 1.17 6.69 0.04 2.83 1.01 -1.26 -0.90 116.67 126.26 1r4x s ASP 734 Ca 0.00 2.72 -0.01 0.00 0.71 0.00 0.00 52.55 55.97 1r4x s ASP 734 Cb -0.14 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1r4x s ASP 734 CO -0.08 -0.62 -0.01 0.00 0.21 0.00 0.00 175.17 174.67 1r4x s ASP 736 N -2.52 7.08 0.47 0.00 2.15 0.03 -4.27 116.67 119.60 1r4x s ASP 736 Ca 0.01 1.33 0.14 0.00 0.43 0.00 0.00 52.55 54.46 1r4x s ASP 736 Cb 0.03 -2.51 1.10 0.00 -0.30 0.00 0.00 42.92 41.25 1r4x s ASP 736 CO -0.08 -0.48 2.06 -0.65 -0.17 0.00 0.00 175.17 175.86 1r4x h PRO 737 N 7.29 0.26 0.04 4.34 0.11 -1.91 -1.14 132.00 141.00 1r4x h PRO 737 Ca -0.27 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.45 1r4x h PRO 737 Cb 1.12 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1r4x h PRO 737 CO 0.87 0.17 -2.21 0.25 -0.21 0.00 0.00 178.00 176.88 1r4x n THR 738 N -4.48 1.59 0.69 -1.15 -2.24 -1.26 -4.43 114.28 103.00 1r4x n THR 738 Ca 0.04 -0.66 0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1r4x n THR 738 Cb 0.21 -1.36 0.13 0.00 -2.10 0.00 0.00 70.33 67.21 1r4x n THR 738 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1r4x n THR 739 N -3.25 0.18 -0.03 4.28 -1.04 -1.21 -4.95 114.28 108.27 1r4x n THR 739 Ca -0.36 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1r4x n THR 739 Cb 1.04 0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 1r4x n THR 739 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r4x n GLY 740 N 1.39 1.26 3.68 3.41 0.00 -0.43 -4.97 105.19 109.54 1r4x n GLY 740 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1r4x n GLY 740 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r4x n GLU 741 N -2.00 2.45 -4.41 1.61 1.02 -1.26 -4.57 120.64 113.48 1r4x n GLU 741 Ca 0.00 0.89 -0.35 0.00 -0.02 0.00 0.00 57.16 57.69 1r4x n GLU 741 Cb 0.00 -2.73 -0.10 0.00 -0.02 0.00 0.00 31.44 28.60 1r4x n GLU 741 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1r4x s THR 742 N 2.19 4.19 -0.38 2.62 2.01 -1.26 -0.79 115.64 124.21 1r4x s THR 742 Ca 0.82 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 1r4x s THR 742 Cb -0.59 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.17 1r4x s THR 742 CO 0.40 0.58 0.64 -0.62 -0.69 0.00 0.00 174.62 174.93 1r4x s ASP 743 N -0.93 6.39 0.00 3.53 -1.08 -0.26 -4.95 116.67 119.36 1r4x s ASP 743 Ca 0.14 0.00 0.19 0.00 -0.52 0.00 0.00 52.55 52.36 1r4x s ASP 743 Cb -0.11 -2.33 1.06 0.00 -1.46 0.00 0.00 42.92 40.08 1r4x s ASP 743 CO 0.03 -0.65 1.58 -0.67 0.52 0.00 0.00 175.17 175.97 1r4x n ASP 744 N 6.12 0.00 -4.42 -0.34 2.03 -1.26 -4.33 116.55 114.35 1r4x n ASP 744 Ca -0.01 -0.27 -0.45 0.00 0.52 0.00 0.00 54.79 54.58 1r4x n ASP 744 Cb 0.48 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.70 1r4x n ASP 744 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1r4x s GLU 745 N -2.31 3.66 0.74 -0.67 2.02 -1.26 -5.03 118.70 115.84 1r4x s GLU 745 Ca 0.23 -2.02 -0.07 0.00 0.02 0.00 0.00 54.97 53.13 1r4x s GLU 745 Cb 0.13 -4.81 0.09 0.00 0.10 0.00 0.00 34.13 29.63 1r4x s GLU 745 CO 0.26 -1.65 1.05 0.20 0.02 0.00 0.00 175.26 175.14 1r4x s GLY 746 N 3.18 1.71 0.03 -1.39 0.00 -1.26 -4.85 107.32 104.74 1r4x s GLY 746 Ca 0.30 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1r4x s GLY 746 CO -0.09 -0.59 -0.04 -2.52 0.00 0.00 0.00 173.10 169.87 1r4x s TYR 747 N -3.31 0.35 0.27 1.90 1.13 -0.67 -4.95 117.35 112.08 1r4x s TYR 747 Ca 0.62 -0.63 -0.29 0.00 -1.41 0.00 0.00 57.07 55.37 1r4x s TYR 747 Cb -0.09 -0.25 -0.09 0.00 -1.10 0.00 0.00 41.96 40.43 1r4x s TYR 747 CO 0.46 -0.21 1.00 -1.21 -2.51 0.00 0.00 175.55 173.07 1r4x s GLU 748 N -1.93 4.73 0.28 -3.49 2.02 -1.26 -0.31 118.70 118.73 1r4x s GLU 748 Ca -0.11 1.58 -0.06 0.00 0.02 0.00 0.00 54.97 56.40 1r4x s GLU 748 Cb -0.07 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 1r4x s GLU 748 CO -0.02 0.36 0.41 0.34 0.02 0.00 0.00 175.26 176.37 1r4x s ASP 749 N -1.15 0.44 0.12 -0.19 -1.08 -0.07 -4.90 116.67 109.84 1r4x s ASP 749 Ca 0.44 -1.28 -0.04 0.00 -0.52 0.00 0.00 52.55 51.14 1r4x s ASP 749 Cb -0.27 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 41.75 1r4x s ASP 749 CO 0.34 -1.15 0.13 -1.83 0.52 0.00 0.00 175.17 173.17 1r4x s GLU 750 N -3.60 0.93 -0.19 4.34 -1.05 -1.26 -2.08 118.70 115.78 1r4x s GLU 750 Ca 0.30 -1.26 -0.08 0.00 -0.15 0.00 0.00 54.97 53.78 1r4x s GLU 750 Cb 0.01 0.29 0.08 0.00 -0.44 0.00 0.00 34.13 34.07 1r4x s GLU 750 CO 0.15 -0.28 0.43 -0.47 0.95 0.00 0.00 175.26 176.03 1r4x s TYR 751 N -3.98 -0.76 0.09 4.83 6.14 -0.48 -4.98 117.35 118.21 1r4x s TYR 751 Ca 0.17 1.49 -0.30 0.00 0.64 0.00 0.00 57.07 59.06 1r4x s TYR 751 Cb 0.06 0.31 -0.06 0.00 0.42 0.00 0.00 41.96 42.69 1r4x s TYR 751 CO -0.02 -0.45 1.17 0.08 0.64 0.00 0.00 175.55 176.96 1r4x s VAL 752 N 2.31 4.01 0.43 3.14 1.01 -1.26 -0.57 120.40 129.46 1r4x s VAL 752 Ca -0.04 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1r4x s VAL 752 Cb -0.11 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1r4x s VAL 752 CO -0.13 0.15 0.33 -0.76 0.00 0.00 0.00 175.10 174.70 1r4x s LEU 753 N 0.68 3.25 0.60 3.92 1.43 -0.82 -4.93 118.68 122.81 1r4x s LEU 753 Ca 0.56 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1r4x s LEU 753 Cb -0.29 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1r4x s LEU 753 CO 0.31 -0.67 1.22 -1.61 0.23 0.00 0.00 176.35 175.83 1r4x s GLU 754 N -4.09 2.91 0.62 1.70 2.02 -0.03 -4.55 118.70 117.29 1r4x s GLU 754 Ca 0.45 1.86 -0.18 0.00 0.02 0.00 0.00 54.97 57.12 1r4x s GLU 754 Cb -0.01 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 1r4x s GLU 754 CO 0.26 -1.26 1.26 -0.51 0.02 0.00 0.00 175.26 175.03 1r4x s ASP 755 N -1.57 4.86 -0.14 -0.19 1.01 -1.26 -4.42 116.67 114.96 1r4x s ASP 755 Ca 0.78 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 56.57 1r4x s ASP 755 Cb -0.31 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 40.99 1r4x s ASP 755 CO 0.34 -1.83 -0.10 -0.22 0.21 0.00 0.00 175.17 173.57 1r4x s LEU 756 N -4.21 2.86 -0.15 1.23 2.96 -0.53 -4.96 118.68 115.88 1r4x s LEU 756 Ca 0.80 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.36 1r4x s LEU 756 Cb -0.35 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1r4x s LEU 756 CO 0.37 0.16 0.10 -1.61 -1.32 0.00 0.00 176.35 174.05 1r4x s GLU 757 N 0.42 3.68 -0.09 1.98 0.41 -1.26 -0.68 118.70 123.15 1r4x s GLU 757 Ca -0.08 -0.24 0.01 0.00 -0.41 0.00 0.00 54.97 54.25 1r4x s GLU 757 Cb -0.15 -3.19 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1r4x s GLU 757 CO 0.04 0.54 -0.12 0.08 -0.49 0.00 0.00 175.26 175.31 1r4x s VAL 758 N -0.36 3.22 0.39 2.63 1.01 -0.31 -5.02 120.40 121.96 1r4x s VAL 758 Ca 0.10 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1r4x s VAL 758 Cb -0.12 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1r4x s VAL 758 CO 0.01 0.56 0.12 0.42 0.00 0.00 0.00 175.10 176.21 1r4x s THR 759 N -0.20 0.64 0.36 3.92 -4.23 -1.26 -1.58 115.64 113.30 1r4x s THR 759 Ca 0.01 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.68 1r4x s THR 759 Cb -0.13 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.65 1r4x s THR 759 CO 0.03 0.00 1.72 1.62 -0.54 0.00 0.00 174.62 177.45 1r4x h VAL 760 N 1.86 0.43 0.00 2.29 3.04 -1.86 -0.25 116.25 121.76 1r4x h VAL 760 Ca -0.36 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1r4x h VAL 760 Cb 1.27 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1r4x h VAL 760 CO 0.58 0.08 -0.00 0.00 -1.01 0.00 0.00 177.57 177.21 1r4x h ALA 761 N 1.71 1.24 0.00 3.17 0.00 -1.72 -0.67 119.26 122.99 1r4x h ALA 761 Ca 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1r4x h ALA 761 Cb 1.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1r4x h ALA 761 CO -0.44 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 1r4x n ASP 762 N -3.44 0.48 -0.84 0.00 8.00 -0.10 -3.22 116.55 117.43 1r4x n ASP 762 Ca -0.03 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.14 1r4x n ASP 762 Cb 0.08 -0.69 0.11 0.00 -0.02 0.00 0.00 41.12 40.60 1r4x n ASP 762 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1r4x n HIS 763 N -1.98 0.12 -4.48 1.24 8.25 -0.26 -4.77 115.22 113.34 1r4x n HIS 763 Ca 0.05 -0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 1r4x n HIS 763 Cb 0.33 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 1r4x n HIS 763 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1r4x s ILE 764 N -1.55 0.91 -0.24 1.59 1.01 -1.20 -1.48 121.20 120.24 1r4x s ILE 764 Ca 0.26 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1r4x s ILE 764 Cb 0.17 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1r4x s ILE 764 CO 0.25 0.28 0.10 -1.58 0.00 0.00 0.00 174.94 173.99 1r4x s GLN 765 N 0.16 3.84 0.51 2.79 2.00 -0.05 -4.90 119.66 124.00 1r4x s GLN 765 Ca -0.03 -0.39 -0.22 0.00 -2.00 0.00 0.00 55.36 52.71 1r4x s GLN 765 Cb -0.09 -3.38 -0.06 0.00 0.80 0.00 0.00 33.01 30.28 1r4x s GLN 765 CO 0.01 -0.04 1.29 -1.59 -0.50 0.00 0.00 175.29 174.46 1r4x s LYS 766 N 1.25 3.40 -0.09 1.67 -2.85 -1.26 -0.48 119.74 121.39 1r4x s LYS 766 Ca 0.05 2.08 -0.07 0.00 -1.00 0.00 0.00 55.97 57.03 1r4x s LYS 766 Cb -0.14 -2.34 0.02 0.00 -2.06 0.00 0.00 37.83 33.31 1r4x s LYS 766 CO 0.04 -0.93 0.22 0.54 0.10 0.00 0.00 175.35 175.33 1r4x s VAL 767 N -1.38 -0.00 0.27 1.79 0.11 -1.13 -4.80 120.40 115.26 1r4x s VAL 767 Ca 0.68 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.46 1r4x s VAL 767 Cb -0.36 -0.32 -0.09 0.00 -1.53 0.00 0.00 36.38 34.07 1r4x s VAL 767 CO 0.44 0.01 0.96 -0.32 -3.33 0.00 0.00 175.10 172.85 1r4x s MET 768 N 0.25 4.74 -0.13 1.54 1.75 -1.26 -4.46 119.30 121.72 1r4x s MET 768 Ca -0.01 1.48 -0.00 0.00 -1.25 0.00 0.00 55.69 55.91 1r4x s MET 768 Cb -0.03 -3.12 0.03 0.00 2.84 0.00 0.00 34.83 34.55 1r4x s MET 768 CO -0.01 0.40 -0.09 0.15 -0.65 0.00 0.00 175.02 174.82 1r4x s LYS 769 N -1.48 1.75 0.31 4.11 -0.14 -1.26 -5.02 119.74 118.01 1r4x s LYS 769 Ca 0.44 -0.40 0.15 0.00 -1.36 0.00 0.00 55.97 54.81 1r4x s LYS 769 Cb -0.24 -1.82 0.43 0.00 -1.68 0.00 0.00 37.83 34.52 1r4x s LYS 769 CO 0.31 -0.29 1.62 -0.07 -0.76 0.00 0.00 175.35 176.16 1r4x h LEU 770 N 8.13 0.00 -7.18 3.17 3.38 -2.02 -3.40 115.31 117.39 1r4x h LEU 770 Ca -0.31 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.03 1r4x h LEU 770 Cb 1.13 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.47 1r4x h LEU 770 CO 0.44 0.51 -0.70 0.21 0.09 0.00 0.00 178.44 178.99 1r4x s ASN 771 N -6.57 3.98 0.15 -0.43 3.84 -1.26 -4.84 114.94 109.81 1r4x s ASN 771 Ca 0.00 -2.63 -0.14 0.00 0.21 0.00 0.00 52.86 50.30 1r4x s ASN 771 Cb 0.11 -1.26 0.03 0.00 -0.55 0.00 0.00 41.25 39.58 1r4x s ASN 771 CO 0.73 -0.28 1.68 0.15 -2.79 0.00 0.00 177.10 176.59 1r4x h PHE 772 N 6.83 0.77 -0.97 0.43 3.04 -1.99 -2.58 116.94 122.48 1r4x h PHE 772 Ca -0.05 -0.07 0.03 0.00 3.98 0.00 0.00 57.97 61.86 1r4x h PHE 772 Cb 0.93 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 1r4x h PHE 772 CO 0.48 0.67 0.64 1.49 -2.02 0.00 0.00 178.31 179.57 1r4x h GLU 773 N 0.65 1.21 -0.67 1.11 4.81 -1.97 0.45 114.58 120.18 1r4x h GLU 773 Ca 0.16 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1r4x h GLU 773 Cb 0.25 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1r4x h GLU 773 CO -0.01 0.80 0.21 0.00 -0.73 0.00 0.00 179.01 179.29 1r4x h ALA 774 N 1.42 0.87 -0.50 2.92 0.00 -1.93 -1.38 119.26 120.66 1r4x h ALA 774 Ca 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1r4x h ALA 774 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1r4x h ALA 774 CO -0.11 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.80 1r4x h ALA 775 N 1.09 0.66 -0.31 0.00 0.00 -0.96 -0.54 119.26 119.21 1r4x h ALA 775 Ca 0.21 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r4x h ALA 775 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1r4x h ALA 775 CO -0.01 0.37 0.11 2.35 0.00 0.00 0.00 179.25 182.07 1r4x h TRP 776 N 0.70 0.20 -0.52 0.00 2.91 -0.69 -1.73 115.95 116.81 1r4x h TRP 776 Ca 0.16 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.10 1r4x h TRP 776 Cb 0.35 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1r4x h TRP 776 CO 0.02 0.09 -0.02 -0.44 -1.03 0.00 0.00 178.44 177.07 1r4x h ASP 777 N 0.25 0.92 -0.51 2.65 3.32 -1.12 -2.19 116.42 119.75 1r4x h ASP 777 Ca 0.14 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1r4x h ASP 777 Cb 0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1r4x h ASP 777 CO -0.14 1.02 0.30 -0.08 -1.72 0.00 0.00 179.24 178.62 1r4x h GLU 778 N 0.81 0.58 -0.55 3.56 4.81 -0.78 -2.49 114.58 120.51 1r4x h GLU 778 Ca 0.15 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1r4x h GLU 778 Cb 0.55 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1r4x h GLU 778 CO 0.03 0.39 0.05 0.28 -0.73 0.00 0.00 179.01 179.03 1r4x h VAL 779 N 0.60 1.26 -0.91 0.32 2.07 -1.25 -3.49 116.25 114.85 1r4x h VAL 779 Ca 0.21 -1.04 0.11 0.00 0.82 0.00 0.00 66.70 66.80 1r4x h VAL 779 Cb 0.03 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1r4x h VAL 779 CO -0.09 0.37 -0.16 0.61 0.02 0.00 0.00 177.57 178.32 1r4x n GLY 780 N -0.48 -1.53 1.34 2.17 0.00 -0.83 -4.71 105.19 101.15 1r4x n GLY 780 Ca 0.02 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.70 1r4x n GLY 780 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r4x n ASP 781 N -2.04 4.39 -0.33 1.61 5.68 -1.26 -4.62 116.55 119.97 1r4x n ASP 781 Ca 0.00 -2.51 0.05 0.00 -0.50 0.00 0.00 54.79 51.83 1r4x n ASP 781 Cb 0.18 -0.53 0.20 0.00 -1.14 0.00 0.00 41.12 39.84 1r4x n ASP 781 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1r4x h GLU 782 N 3.36 0.91 -0.21 0.11 4.81 -1.88 -2.30 114.58 119.39 1r4x h GLU 782 Ca 0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1r4x h GLU 782 Cb 1.37 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1r4x h GLU 782 CO 0.21 0.60 -0.24 1.19 -0.73 0.00 0.00 179.01 180.04 1r4x n PHE 783 N -4.65 0.65 -1.94 0.92 3.72 -1.26 -5.02 117.46 109.88 1r4x n PHE 783 Ca 0.16 -1.54 -0.42 0.00 -0.05 0.00 0.00 57.45 55.60 1r4x n PHE 783 Cb 0.29 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1r4x n PHE 783 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1r4x s GLU 784 N -3.23 4.21 0.04 -1.08 2.12 -0.87 -4.63 118.70 115.25 1r4x s GLU 784 Ca 0.42 2.34 0.03 0.00 0.36 0.00 0.00 54.97 58.11 1r4x s GLU 784 Cb 0.39 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1r4x s GLU 784 CO -0.03 -0.68 -0.09 0.15 -0.54 0.00 0.00 175.26 174.07 1r4x s LYS 785 N 2.03 0.61 0.03 4.30 1.02 -1.00 -5.00 119.74 121.74 1r4x s LYS 785 Ca 0.72 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 56.05 1r4x s LYS 785 Cb -0.41 -0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.40 1r4x s LYS 785 CO 0.32 0.10 -0.15 -2.00 -0.92 0.00 0.00 175.35 172.70 1r4x s GLU 786 N -1.35 1.04 -0.02 1.68 -6.30 -1.26 -1.26 118.70 111.23 1r4x s GLU 786 Ca -0.06 -0.71 -0.03 0.00 -2.50 0.00 0.00 54.97 51.68 1r4x s GLU 786 Cb -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 34.13 33.00 1r4x s GLU 786 CO 0.01 0.27 0.07 -2.00 0.02 0.00 0.00 175.26 173.62 1r4x s GLU 787 N -0.92 0.14 -0.13 4.30 2.12 -0.33 -4.99 118.70 118.90 1r4x s GLU 787 Ca 0.03 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 1r4x s GLU 787 Cb -0.07 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 1r4x s GLU 787 CO 0.01 -0.02 0.27 0.99 -0.54 0.00 0.00 175.26 175.97 1r4x s THR 788 N -0.23 5.30 0.03 -1.70 2.01 -1.26 -0.87 115.64 118.92 1r4x s THR 788 Ca -0.03 0.51 0.08 0.00 0.31 0.00 0.00 61.69 62.56 1r4x s THR 788 Cb -0.02 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1r4x s THR 788 CO 0.00 0.46 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.80 1r4x s PHE 789 N -0.01 2.05 -0.23 4.92 0.08 0.02 -4.99 117.98 119.82 1r4x s PHE 789 Ca 0.17 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1r4x s PHE 789 Cb -0.13 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1r4x s PHE 789 CO 0.05 0.07 0.08 0.99 -0.10 0.00 0.00 175.22 176.31 1r4x s THR 790 N -0.72 4.61 -0.92 0.64 2.01 -1.26 -1.09 115.64 118.90 1r4x s THR 790 Ca 0.09 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 1r4x s THR 790 Cb -0.09 -3.13 0.26 0.00 0.01 0.00 0.00 72.50 69.55 1r4x s THR 790 CO 0.01 0.37 1.03 0.18 -0.69 0.00 0.00 174.62 175.52 1r4x n LEU 791 N 4.41 4.93 0.03 4.42 4.32 0.25 -4.92 117.00 130.44 1r4x n LEU 791 Ca -0.16 -5.22 0.08 0.00 -0.02 0.00 0.00 56.01 50.70 1r4x n LEU 791 Cb 0.52 -1.10 0.35 0.00 -1.62 0.00 0.00 43.42 41.57 1r4x n LEU 791 CO 0.33 1.69 0.76 -1.54 -1.22 0.00 0.00 177.39 177.40 1r4x n SER 792 N 1.73 0.14 -0.00 -1.43 3.41 -1.26 -1.81 113.62 114.40 1r4x n SER 792 Ca 0.25 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.49 1r4x n SER 792 Cb 0.37 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 1r4x n SER 792 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1r4x n THR 793 N -1.65 0.00 -3.69 6.66 -2.24 -1.26 -4.91 114.28 107.18 1r4x n THR 793 Ca 0.03 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1r4x n THR 793 Cb 0.19 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 1r4x n THR 793 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r4x s ILE 794 N -3.02 5.20 -0.81 2.28 -1.09 -0.75 -4.97 121.20 118.03 1r4x s ILE 794 Ca 0.06 0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 1r4x s ILE 794 Cb 0.16 -3.43 0.12 0.00 -1.58 0.00 0.00 42.46 37.73 1r4x s ILE 794 CO 0.86 0.34 0.93 0.29 -1.23 0.00 0.00 174.94 176.13 1r4x n LYS 795 N 4.40 1.29 -4.10 2.79 5.02 -1.26 -2.05 118.16 124.25 1r4x n LYS 795 Ca -0.15 -1.35 -0.14 0.00 -2.02 0.00 0.00 58.31 54.65 1r4x n LYS 795 Cb 0.52 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.25 1r4x n LYS 795 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4x s THR 796 N -0.79 0.60 0.36 -0.18 -4.23 -1.26 -4.89 115.64 105.24 1r4x s THR 796 Ca 0.12 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1r4x s THR 796 Cb 0.07 -0.63 0.16 0.00 1.34 0.00 0.00 72.50 73.44 1r4x s THR 796 CO 0.10 -0.29 1.89 -0.07 -0.54 0.00 0.00 174.62 175.72 1r4x h LEU 797 N 4.69 0.38 -0.65 4.79 3.38 -1.94 -2.86 115.31 123.10 1r4x h LEU 797 Ca -0.35 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1r4x h LEU 797 Cb 1.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1r4x h LEU 797 CO 0.42 0.49 0.24 -0.33 0.09 0.00 0.00 178.44 179.35 1r4x h GLU 798 N 0.39 0.99 -0.22 1.13 3.07 -1.97 0.07 114.58 118.04 1r4x h GLU 798 Ca 0.08 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.71 1r4x h GLU 798 Cb 0.34 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1r4x h GLU 798 CO 0.01 0.84 -0.05 0.93 -1.40 0.00 0.00 179.01 179.35 1r4x h GLU 799 N 0.93 0.42 -0.27 2.33 5.08 -1.96 -1.19 114.58 119.91 1r4x h GLU 799 Ca 0.21 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1r4x h GLU 799 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1r4x h GLU 799 CO -0.01 0.65 0.12 0.00 -1.00 0.00 0.00 179.01 178.76 1r4x h ALA 800 N 0.75 0.32 -0.18 3.43 0.00 -1.26 -0.82 119.26 121.50 1r4x h ALA 800 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1r4x h ALA 800 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r4x h ALA 800 CO 0.02 -0.28 0.02 0.28 0.00 0.00 0.00 179.25 179.29 1r4x h VAL 801 N 0.26 1.24 -0.72 0.00 2.07 -0.97 -1.71 116.25 116.41 1r4x h VAL 801 Ca 0.12 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1r4x h VAL 801 Cb 0.06 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1r4x h VAL 801 CO -0.10 0.24 0.46 1.23 0.02 0.00 0.00 177.57 179.42 1r4x h GLY 802 N 0.08 1.02 0.94 2.17 0.00 -1.07 -1.15 103.07 105.05 1r4x h GLY 802 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1r4x h GLY 802 CO 0.01 0.33 0.14 3.43 0.00 0.00 0.00 176.54 180.45 1r4x h ASN 803 N 0.93 0.40 -0.34 0.19 2.35 -1.05 -2.00 115.58 116.05 1r4x h ASN 803 Ca 0.27 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1r4x h ASN 803 Cb -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1r4x h ASN 803 CO -0.08 0.41 0.12 0.40 -1.65 0.00 0.00 177.43 176.63 1r4x h ILE 804 N 0.35 1.20 -0.52 2.81 2.04 -1.02 -0.93 117.51 121.43 1r4x h ILE 804 Ca 0.10 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1r4x h ILE 804 Cb 0.12 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1r4x h ILE 804 CO -0.01 0.22 0.32 0.58 0.00 0.00 0.00 178.15 179.25 1r4x h VAL 805 N 0.40 1.16 -0.37 1.67 2.07 -1.19 -1.19 116.25 118.80 1r4x h VAL 805 Ca 0.11 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1r4x h VAL 805 Cb 0.22 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1r4x h VAL 805 CO -0.01 0.16 0.02 0.50 0.02 0.00 0.00 177.57 178.27 1r4x h LYS 806 N 0.70 0.64 -0.16 1.57 3.64 -1.26 -2.52 116.57 119.19 1r4x h LYS 806 Ca 0.19 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1r4x h LYS 806 Cb -0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1r4x h LYS 806 CO -0.04 0.73 -0.00 0.35 -2.27 0.00 0.00 179.45 178.22 1r4x h PHE 807 N 0.47 0.32 0.00 1.91 3.57 -0.95 -3.24 116.94 119.02 1r4x h PHE 807 Ca 0.11 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1r4x h PHE 807 Cb 0.42 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1r4x h PHE 807 CO 0.03 0.51 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.16 1r4x h LEU 808 N 0.03 0.00 0.43 0.59 3.38 -1.27 -3.36 115.31 115.11 1r4x h LEU 808 Ca 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1r4x h LEU 808 Cb 0.39 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.19 1r4x h LEU 808 CO 0.01 0.39 -0.46 0.61 0.09 0.00 0.00 178.44 179.08 1r4x n GLY 809 N 0.96 -0.21 3.79 0.83 0.00 -0.95 -4.12 105.19 105.49 1r4x n GLY 809 Ca 0.02 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1r4x n GLY 809 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r4x s MET 810 N -5.47 2.40 -0.22 1.61 1.00 -1.26 -4.01 119.30 113.35 1r4x s MET 810 Ca 0.25 -1.63 -0.18 0.00 0.00 0.00 0.00 55.69 54.13 1r4x s MET 810 Cb -0.11 -2.20 -0.03 0.00 0.00 0.00 0.00 34.83 32.49 1r4x s MET 810 CO 0.31 -0.07 0.50 -1.58 0.00 0.00 0.00 175.02 174.18 1r4x s HIS 811 N -2.49 3.34 -0.21 -0.03 5.65 -0.29 -4.86 115.29 116.40 1r4x s HIS 811 Ca 0.43 0.71 -0.29 0.00 0.25 0.00 0.00 55.06 56.16 1r4x s HIS 811 Cb -0.01 -2.67 -0.01 0.00 -1.18 0.00 0.00 32.58 28.72 1r4x s HIS 811 CO 0.25 -0.14 1.24 -1.25 -0.65 0.00 0.00 174.74 174.19 1r4x s PRO 812 N 1.79 4.15 0.34 2.88 0.04 -1.26 -1.61 135.00 141.32 1r4x s PRO 812 Ca 0.23 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1r4x s PRO 812 Cb -0.15 -3.78 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 1r4x s PRO 812 CO 0.09 -0.81 0.69 0.00 0.04 0.00 0.00 177.00 177.01 1r4x n GLU 814 N -0.84 -5.82 -2.35 0.00 1.02 -1.26 -1.37 120.64 110.02 1r4x n GLU 814 Ca 0.02 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.67 1r4x n GLU 814 Cb 0.54 -5.48 -0.01 0.00 -0.02 0.00 0.00 31.44 26.46 1r4x n GLU 814 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1r4x n ARG 815 N -4.58 -2.06 0.00 3.49 1.74 -1.26 -4.86 116.66 109.13 1r4x n ARG 815 Ca -0.09 0.69 0.16 0.00 -0.77 0.00 0.00 57.85 57.84 1r4x n ARG 815 Cb 0.59 -5.27 0.86 0.00 -1.02 0.00 0.00 32.46 27.61 1r4x n ARG 815 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1r4x n SER 816 N -1.74 0.22 -0.15 0.55 3.41 -0.47 -1.91 113.62 113.53 1r4x n SER 816 Ca -0.16 -0.94 0.14 0.00 -0.26 0.00 0.00 58.87 57.65 1r4x n SER 816 Cb 0.61 -0.04 0.63 0.00 -0.26 0.00 0.00 64.21 65.15 1r4x n SER 816 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1r4x n ASP 817 N -0.88 0.56 -4.39 4.04 5.75 -1.26 -4.52 116.55 115.84 1r4x n ASP 817 Ca 0.22 -0.73 -0.36 0.00 -0.01 0.00 0.00 54.79 53.90 1r4x n ASP 817 Cb 0.17 -0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.08 1r4x n ASP 817 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r4x s LYS 818 N -2.37 3.50 -0.23 0.11 1.02 -0.80 -4.89 119.74 116.08 1r4x s LYS 818 Ca 0.32 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.59 1r4x s LYS 818 Cb 0.20 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1r4x s LYS 818 CO 0.45 -0.22 0.35 0.08 -0.92 0.00 0.00 175.35 175.09 1r4x s VAL 819 N 1.56 5.22 0.64 3.17 1.01 -1.26 -5.06 120.40 125.68 1r4x s VAL 819 Ca 0.06 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1r4x s VAL 819 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1r4x s VAL 819 CO 0.01 0.24 1.12 -2.84 0.00 0.00 0.00 175.10 173.63 1r4x s PRO 820 N 1.48 2.89 0.95 2.72 0.02 -1.26 -5.04 135.00 136.76 1r4x s PRO 820 Ca 0.16 1.45 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1r4x s PRO 820 Cb -0.15 -1.96 0.16 0.00 0.02 0.00 0.00 34.50 32.58 1r4x s PRO 820 CO 0.08 -1.19 1.12 -0.51 -0.33 0.00 0.00 177.00 176.17 1r4x s ASP 821 N -2.40 2.72 -1.02 2.53 1.01 -1.26 -3.96 116.67 114.30 1r4x s ASP 821 Ca 0.68 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.95 1r4x s ASP 821 Cb -0.22 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1r4x s ASP 821 CO 0.39 -3.20 0.00 0.59 0.21 0.00 0.00 175.17 173.16 1r4x n ASN 822 N -4.28 -4.15 -3.99 0.27 3.02 -1.26 -4.99 115.26 99.88 1r4x n ASN 822 Ca 0.10 0.23 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 1r4x n ASN 822 Cb 0.53 -2.51 -0.16 0.00 -0.61 0.00 0.00 39.78 37.02 1r4x n ASN 822 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1r4x s LYS 823 N -2.85 1.30 -0.10 3.52 -0.14 -1.25 -4.99 119.74 115.23 1r4x s LYS 823 Ca 0.00 -0.31 0.14 0.00 -1.36 0.00 0.00 55.97 54.44 1r4x s LYS 823 Cb 0.00 -1.14 0.39 0.00 -1.68 0.00 0.00 37.83 35.40 1r4x s LYS 823 CO 0.00 0.03 1.30 0.27 -0.76 0.00 0.00 175.35 176.19 1r4x n ASN 824 N 3.73 3.24 -4.18 2.83 6.94 -1.26 -4.98 115.26 121.58 1r4x n ASN 824 Ca -0.22 -2.63 -0.15 0.00 -0.02 0.00 0.00 54.58 51.55 1r4x n ASN 824 Cb 0.52 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.44 1r4x n ASN 824 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1r4x s THR 825 N -2.13 0.97 -0.16 5.53 -4.23 -1.26 -0.63 115.64 113.73 1r4x s THR 825 Ca 0.31 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1r4x s THR 825 Cb 0.24 -1.34 0.11 0.00 1.34 0.00 0.00 72.50 72.85 1r4x s THR 825 CO 0.09 -0.53 0.92 -2.28 -0.54 0.00 0.00 174.62 172.28 1r4x s HIS 826 N -2.35 -0.47 -0.18 3.99 2.46 -0.91 -5.00 115.29 112.83 1r4x s HIS 826 Ca 0.05 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1r4x s HIS 826 Cb -0.03 0.42 0.01 0.00 -0.13 0.00 0.00 32.58 32.85 1r4x s HIS 826 CO 0.00 -0.38 -0.17 0.99 -2.47 0.00 0.00 174.74 172.71 1r4x s THR 827 N -0.85 2.38 -0.17 0.89 2.01 -1.26 -0.67 115.64 117.96 1r4x s THR 827 Ca -0.03 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 1r4x s THR 827 Cb -0.01 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1r4x s THR 827 CO 0.02 0.52 0.25 -0.22 -0.69 0.00 0.00 174.62 174.50 1r4x s LEU 828 N 1.19 4.23 -0.17 4.42 2.96 -0.04 -4.81 118.68 126.47 1r4x s LEU 828 Ca 0.02 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1r4x s LEU 828 Cb -0.14 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1r4x s LEU 828 CO -0.08 0.12 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.10 1r4x s LEU 829 N 0.46 2.11 -0.02 -0.68 1.43 -1.26 -0.77 118.68 119.95 1r4x s LEU 829 Ca 0.14 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1r4x s LEU 829 Cb -0.12 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 1r4x s LEU 829 CO 0.02 0.02 -0.18 -0.76 0.23 0.00 0.00 176.35 175.68 1r4x s LEU 830 N 1.15 2.01 -0.01 1.79 1.43 0.34 -0.40 118.68 125.00 1r4x s LEU 830 Ca 0.01 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1r4x s LEU 830 Cb -0.14 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1r4x s LEU 830 CO -0.10 0.21 -0.12 0.00 0.23 0.00 0.00 176.35 176.58 1r4x s ALA 831 N -0.32 0.97 0.36 4.21 0.00 -0.63 -0.64 121.76 125.70 1r4x s ALA 831 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 1r4x s ALA 831 Cb -0.08 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1r4x s ALA 831 CO 0.00 0.23 0.66 0.41 0.00 0.00 0.00 175.76 177.07 1r4x n GLY 832 N 2.72 1.34 3.17 0.00 0.00 -0.44 -1.14 105.19 110.84 1r4x n GLY 832 Ca -0.14 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1r4x n GLY 832 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r4x s VAL 833 N -2.33 1.86 0.38 1.61 1.01 0.36 -0.33 120.40 122.98 1r4x s VAL 833 Ca 0.18 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1r4x s VAL 833 Cb -0.04 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1r4x s VAL 833 CO 0.13 0.52 0.77 0.12 0.00 0.00 0.00 175.10 176.64 1r4x s PHE 834 N 0.53 3.44 0.27 5.22 5.36 -0.06 -0.87 117.98 131.87 1r4x s PHE 834 Ca -0.15 1.13 -0.29 0.00 -0.96 0.00 0.00 56.93 56.65 1r4x s PHE 834 Cb -0.17 -2.49 -0.14 0.00 -0.34 0.00 0.00 43.02 39.88 1r4x s PHE 834 CO 0.05 -0.06 1.18 2.89 -1.46 0.00 0.00 175.22 177.82 1r4x n ARG 835 N -1.01 1.62 -0.01 10.12 1.85 -0.55 -0.80 116.66 127.88 1r4x n ARG 835 Ca 0.03 0.57 0.00 0.00 -1.00 0.00 0.00 57.85 57.45 1r4x n ARG 835 Cb 0.54 -2.07 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 1r4x n ARG 835 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1r4x n GLY 836 N 1.46 0.35 0.00 2.89 0.00 -1.26 -4.67 105.19 103.96 1r4x n GLY 836 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1r4x n GLY 836 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4x n GLY 837 N -2.00 0.78 3.78 -0.02 0.00 0.02 -5.08 105.19 102.67 1r4x n GLY 837 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1r4x n GLY 837 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r4x s HIS 838 N -2.00 3.56 0.52 1.61 3.76 -1.22 -4.84 115.29 116.67 1r4x s HIS 838 Ca 0.00 0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 55.40 1r4x s HIS 838 Cb 0.00 -2.29 -0.06 0.00 1.11 0.00 0.00 32.58 31.34 1r4x s HIS 838 CO 0.00 0.41 1.27 -0.25 -0.85 0.00 0.00 174.74 175.33 1r4x n ASP 839 N 2.88 2.37 -3.94 1.40 8.00 -1.26 -0.88 116.55 125.12 1r4x n ASP 839 Ca -0.13 0.99 -0.25 0.00 0.71 0.00 0.00 54.79 56.11 1r4x n ASP 839 Cb 0.52 -1.53 -0.17 0.00 -0.02 0.00 0.00 41.12 39.93 1r4x n ASP 839 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1r4x s ILE 840 N -1.29 0.96 -0.03 0.53 1.10 0.55 -4.32 121.20 118.71 1r4x s ILE 840 Ca 0.69 -0.31 0.06 0.00 -0.51 0.00 0.00 60.65 60.57 1r4x s ILE 840 Cb -0.44 -0.95 -0.01 0.00 0.15 0.00 0.00 42.46 41.21 1r4x s ILE 840 CO 0.52 0.34 -0.20 -0.76 -2.11 0.00 0.00 174.94 172.72 1r4x s LEU 841 N 1.21 2.00 -0.03 8.50 1.43 -0.54 -1.33 118.68 129.92 1r4x s LEU 841 Ca -0.05 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1r4x s LEU 841 Cb -0.14 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1r4x s LEU 841 CO -0.02 0.22 -0.07 -0.69 0.23 0.00 0.00 176.35 176.02 1r4x s VAL 842 N -0.27 0.63 -0.12 -1.59 1.01 0.19 -1.29 120.40 118.95 1r4x s VAL 842 Ca 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1r4x s VAL 842 Cb -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1r4x s VAL 842 CO 0.01 0.21 -0.21 -0.60 0.00 0.00 0.00 175.10 174.51 1r4x s ARG 843 N 0.39 3.09 -0.18 2.72 3.52 0.09 -0.50 118.95 128.08 1r4x s ARG 843 Ca -0.05 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1r4x s ARG 843 Cb -0.10 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1r4x s ARG 843 CO 0.00 0.09 -0.19 0.45 -0.81 0.00 0.00 175.30 174.85 1r4x s SER 844 N 0.57 3.11 -0.34 -2.12 0.15 0.05 -0.41 113.70 114.71 1r4x s SER 844 Ca -0.12 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 55.76 1r4x s SER 844 Cb -0.17 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1r4x s SER 844 CO 0.04 -0.01 0.21 -0.13 1.20 0.00 0.00 173.24 174.55 1r4x s ARG 845 N 1.31 3.37 0.04 5.44 0.52 -0.11 -0.86 118.95 128.65 1r4x s ARG 845 Ca 0.05 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1r4x s ARG 845 Cb -0.13 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 1r4x s ARG 845 CO -0.13 -0.47 -0.03 -0.51 0.02 0.00 0.00 175.30 174.18 1r4x s LEU 846 N 1.67 3.35 -0.04 2.53 1.02 0.15 -0.60 118.68 126.76 1r4x s LEU 846 Ca 0.05 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.07 1r4x s LEU 846 Cb -0.17 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.06 1r4x s LEU 846 CO 0.09 0.24 -0.04 -0.22 0.02 0.00 0.00 176.35 176.44 1r4x s LEU 847 N -1.81 1.32 -0.38 1.79 2.96 0.07 -2.15 118.68 120.47 1r4x s LEU 847 Ca 0.21 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 1r4x s LEU 847 Cb -0.11 -0.40 0.05 0.00 0.50 0.00 0.00 46.19 46.22 1r4x s LEU 847 CO 0.12 -0.06 0.21 -0.22 -1.32 0.00 0.00 176.35 175.08 1r4x s LEU 848 N 0.90 4.80 -0.28 -0.68 2.96 0.20 -0.89 118.68 125.68 1r4x s LEU 848 Ca -0.11 -1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 52.60 1r4x s LEU 848 Cb -0.14 -1.99 0.09 0.00 0.50 0.00 0.00 46.19 44.65 1r4x s LEU 848 CO -0.00 -0.43 0.10 -0.76 -1.32 0.00 0.00 176.35 173.94 1r4x s LEU 849 N 1.49 1.45 0.00 -0.68 1.43 -1.26 -4.85 118.68 116.27 1r4x s LEU 849 Ca 0.02 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1r4x s LEU 849 Cb -0.20 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1r4x s LEU 849 CO 0.05 -0.41 0.00 -0.67 0.23 0.00 0.00 176.35 175.55 1r4x n ASP 850 N 5.03 0.00 -3.19 2.29 -0.08 -1.26 -4.71 116.55 114.63 1r4x n ASP 850 Ca -0.04 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.06 1r4x n ASP 850 Cb 0.43 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.85 1r4x n ASP 850 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1r4x n THR 851 N 0.00 0.00 -3.93 5.18 -2.24 -1.26 -4.57 114.28 107.46 1r4x n THR 851 Ca 0.00 -1.47 -0.36 0.00 -2.27 0.00 0.00 64.05 59.95 1r4x n THR 851 Cb 0.00 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1r4x n THR 851 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r4x s VAL 852 N -2.36 5.31 0.10 2.28 1.01 -0.87 -4.41 120.40 121.46 1r4x s VAL 852 Ca 0.08 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.29 1r4x s VAL 852 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1r4x s VAL 852 CO 0.06 0.59 -0.24 -0.89 0.00 0.00 0.00 175.10 174.62 1r4x s THR 853 N -0.77 1.98 -0.04 3.92 2.01 -0.07 -0.58 115.64 122.08 1r4x s THR 853 Ca 0.13 -1.57 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1r4x s THR 853 Cb -0.12 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1r4x s THR 853 CO 0.03 0.08 0.18 0.00 -0.69 0.00 0.00 174.62 174.22 1r4x s MET 854 N -1.81 0.36 -0.32 4.92 0.23 -0.25 -0.75 119.30 121.68 1r4x s MET 854 Ca 0.10 -0.01 -0.10 0.00 -1.03 0.00 0.00 55.69 54.64 1r4x s MET 854 Cb -0.10 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.35 1r4x s MET 854 CO 0.04 -0.07 0.18 -0.65 -2.03 0.00 0.00 175.02 172.49 1r4x s GLN 855 N -0.56 3.40 -0.21 3.16 -0.21 0.23 -0.80 119.66 124.66 1r4x s GLN 855 Ca -0.06 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 1r4x s GLN 855 Cb -0.04 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.31 1r4x s GLN 855 CO 0.01 -0.42 0.04 0.08 -2.12 0.00 0.00 175.29 172.88 1r4x s VAL 856 N 1.65 4.25 -0.05 1.09 1.01 -0.05 -0.94 120.40 127.37 1r4x s VAL 856 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1r4x s VAL 856 Cb -0.17 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1r4x s VAL 856 CO 0.07 0.40 -0.21 -0.89 0.00 0.00 0.00 175.10 174.47 1r4x s THR 857 N 1.10 2.42 0.01 3.92 2.01 0.45 -1.18 115.64 124.38 1r4x s THR 857 Ca 0.03 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1r4x s THR 857 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1r4x s THR 857 CO 0.02 0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 174.38 1r4x s ALA 858 N -0.47 1.30 -0.00 7.40 0.00 -0.39 -0.73 121.76 128.88 1r4x s ALA 858 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1r4x s ALA 858 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1r4x s ALA 858 CO 0.01 0.29 -0.12 1.03 0.00 0.00 0.00 175.76 176.98 1r4x s ARG 859 N -0.71 0.91 0.09 0.00 0.52 -0.41 -2.36 118.95 116.98 1r4x s ARG 859 Ca 0.05 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 1r4x s ARG 859 Cb -0.07 -0.88 0.08 0.00 0.52 0.00 0.00 34.95 34.60 1r4x s ARG 859 CO 0.00 0.24 0.67 0.45 0.02 0.00 0.00 175.30 176.68 1r4x s SER 860 N -0.41 -0.54 0.26 0.23 0.15 -1.26 -1.47 113.70 110.65 1r4x s SER 860 Ca 0.04 0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1r4x s SER 860 Cb -0.05 0.54 0.98 0.00 -1.71 0.00 0.00 66.02 65.79 1r4x s SER 860 CO -0.00 -0.83 1.70 0.18 1.20 0.00 0.00 173.24 175.48 1r4x n LEU 861 N -0.11 0.64 -4.29 3.45 4.77 -1.26 -4.25 117.00 115.94 1r4x n LEU 861 Ca -0.16 0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 56.17 1r4x n LEU 861 Cb 0.63 -0.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 1r4x n LEU 861 CO 0.14 -0.59 -0.54 -0.70 -1.33 0.00 0.00 177.39 174.37 1r4x s GLU 862 N -3.33 2.74 0.19 3.23 2.12 -1.26 -4.99 118.70 117.40 1r4x s GLU 862 Ca 0.04 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 1r4x s GLU 862 Cb 0.09 -2.27 0.09 0.00 0.26 0.00 0.00 34.13 32.30 1r4x s GLU 862 CO 0.37 0.35 1.64 1.49 -0.54 0.00 0.00 175.26 178.57 1r4x h GLU 863 N 6.19 1.04 -0.35 4.30 4.81 -1.93 -3.36 114.58 125.29 1r4x h GLU 863 Ca -0.30 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1r4x h GLU 863 Cb 1.19 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1r4x h GLU 863 CO 0.48 1.04 0.08 1.25 -0.73 0.00 0.00 179.01 181.13 1r4x h LEU 864 N 0.94 0.04 -1.32 1.64 5.85 -1.98 -2.05 115.31 118.45 1r4x h LEU 864 Ca 0.16 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1r4x h LEU 864 Cb 0.59 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1r4x h LEU 864 CO 0.04 0.06 0.24 1.55 -0.34 0.00 0.00 178.44 179.98 1r4x h PRO 865 N 0.21 0.70 -0.04 5.25 0.13 -1.99 -0.22 132.00 136.04 1r4x h PRO 865 Ca 0.16 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1r4x h PRO 865 Cb 0.17 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1r4x h PRO 865 CO -0.20 0.55 -0.01 0.28 -0.23 0.00 0.00 178.00 178.40 1r4x h VAL 866 N 0.71 0.97 -0.87 1.56 2.07 -1.56 -0.07 116.25 119.05 1r4x h VAL 866 Ca 0.18 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 1r4x h VAL 866 Cb 0.08 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1r4x h VAL 866 CO -0.02 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.58 1r4x h ASP 867 N 0.01 0.99 -0.18 0.57 3.32 -0.99 -2.42 116.42 117.72 1r4x h ASP 867 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1r4x h ASP 867 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1r4x h ASP 867 CO -0.04 0.72 0.08 0.40 -1.72 0.00 0.00 179.24 178.68 1r4x h ILE 868 N 1.17 1.13 -0.21 0.35 2.04 -0.75 -1.36 117.51 119.89 1r4x h ILE 868 Ca 0.32 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1r4x h ILE 868 Cb -0.12 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1r4x h ILE 868 CO -0.07 0.13 -0.07 0.40 0.00 0.00 0.00 178.15 178.53 1r4x h ILE 869 N 0.16 0.74 -0.24 -0.67 1.08 -0.75 0.05 117.51 117.88 1r4x h ILE 869 Ca 0.06 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.45 1r4x h ILE 869 Cb 0.12 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1r4x h ILE 869 CO -0.01 0.00 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.19 1r4x h LEU 870 N -0.04 0.41 -0.48 1.44 3.38 -1.31 -0.67 115.31 118.04 1r4x h LEU 870 Ca 0.11 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1r4x h LEU 870 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1r4x h LEU 870 CO -0.24 0.62 -0.76 0.00 0.09 0.00 0.00 178.44 178.16 1r4x h ALA 871 N 1.42 0.74 0.22 1.53 0.00 -0.98 -3.30 119.26 118.89 1r4x h ALA 871 Ca 0.06 -0.68 -0.34 0.00 0.00 0.00 0.00 54.91 53.96 1r4x h ALA 871 Cb 0.56 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1r4x h ALA 871 CO 0.04 0.92 -1.59 0.77 0.00 0.00 0.00 179.25 179.39 1r4x h SER 872 N 0.02 0.73 0.00 0.00 0.02 -0.42 -3.51 113.55 110.40 1r4x h SER 872 Ca -0.01 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1r4x h SER 872 Cb 1.33 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1r4x h SER 872 CO 0.10 1.72 0.00 0.52 -1.14 0.00 0.00 176.83 178.04