#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rre s VAL 595 N 0.00 4.47 0.00 0.00 1.01 -1.26 -1.93 120.40 122.70 1rre s VAL 595 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1rre s VAL 595 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1rre s VAL 595 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1rre n GLY 596 N 3.29 0.60 3.41 4.51 0.00 -1.26 -4.81 105.19 110.94 1rre n GLY 596 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1rre n GLY 596 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rre s GLN 597 N -0.38 3.57 0.01 1.61 0.74 -1.21 -1.99 119.66 122.00 1rre s GLN 597 Ca 0.00 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.88 1rre s GLN 597 Cb 0.00 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.98 1rre s GLN 597 CO 0.00 -0.09 -0.03 0.54 -0.55 0.00 0.00 175.29 175.16 1rre s VAL 598 N 1.26 0.17 -0.36 1.34 0.11 -0.68 -4.61 120.40 117.64 1rre s VAL 598 Ca 0.04 -0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 1rre s VAL 598 Cb -0.15 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1rre s VAL 598 CO 0.01 -0.19 0.51 -0.89 -3.33 0.00 0.00 175.10 171.20 1rre s THR 599 N -0.67 5.02 0.26 5.04 2.01 -1.26 -1.11 115.64 124.92 1rre s THR 599 Ca -0.06 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1rre s THR 599 Cb -0.05 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1rre s THR 599 CO -0.00 -0.25 0.43 -0.83 -0.69 0.00 0.00 174.62 173.28 1rre s GLY 600 N 1.78 1.46 -0.23 4.40 0.00 0.27 -4.38 107.32 110.62 1rre s GLY 600 Ca 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1rre s GLY 600 CO 0.14 -0.96 -0.12 1.08 0.00 0.00 0.00 173.10 173.23 1rre s LEU 601 N -3.86 2.88 0.35 0.66 1.43 -1.26 0.26 118.68 119.14 1rre s LEU 601 Ca 0.37 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1rre s LEU 601 Cb -0.10 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1rre s LEU 601 CO 0.31 -0.10 0.71 0.00 0.23 0.00 0.00 176.35 177.50 1rre s ALA 602 N 1.26 -0.60 0.11 4.21 0.00 -1.20 -4.39 121.76 121.14 1rre s ALA 602 Ca -0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1rre s ALA 602 Cb -0.16 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.70 1rre s ALA 602 CO -0.08 -0.96 0.78 -0.46 0.00 0.00 0.00 175.76 175.04 1rre s TRP 603 N -2.89 3.83 0.22 0.00 -0.00 -1.24 -4.10 118.94 114.76 1rre s TRP 603 Ca 0.17 1.58 0.05 0.00 -0.00 0.00 0.00 56.10 57.89 1rre s TRP 603 Cb -0.04 -2.80 -0.05 0.00 -0.00 0.00 0.00 33.47 30.58 1rre s TRP 603 CO 0.11 0.40 -0.05 0.95 -0.00 0.00 0.00 176.95 178.37 1rre s THR 604 N -0.65 1.24 0.35 5.86 -4.23 0.28 -2.15 115.64 116.33 1rre s THR 604 Ca 0.37 -2.07 0.37 0.00 -1.18 0.00 0.00 61.69 59.18 1rre s THR 604 Cb -0.22 -2.22 0.40 0.00 1.34 0.00 0.00 72.50 71.80 1rre s THR 604 CO 0.25 -0.45 2.14 1.05 -0.54 0.00 0.00 174.62 177.07 1rre h GLU 605 N 2.52 0.00 0.10 3.99 4.11 -1.65 -1.43 114.58 122.21 1rre h GLU 605 Ca -0.38 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.72 1rre h GLU 605 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1rre h GLU 605 CO 0.64 0.02 -1.76 0.28 0.07 0.00 0.00 179.01 178.26 1rre h VAL 606 N 0.00 0.87 0.00 -1.06 2.07 -1.97 -3.51 116.25 112.65 1rre h VAL 606 Ca -0.00 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1rre h VAL 606 Cb 0.31 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1rre h VAL 606 CO 0.00 0.77 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1rre n GLY 607 N 1.77 2.34 1.11 2.17 0.00 -0.54 -4.96 105.19 107.08 1rre n GLY 607 Ca -0.23 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1rre n GLY 607 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rre n GLY 608 N 0.00 1.64 0.00 -0.02 0.00 -1.26 0.98 105.19 106.53 1rre n GLY 608 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1rre n GLY 608 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rre n ASP 609 N 1.39 0.00 -4.82 1.61 8.00 -1.26 -3.92 116.55 117.55 1rre n ASP 609 Ca 0.19 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 1rre n ASP 609 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1rre n ASP 609 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rre s LEU 610 N 0.00 3.86 -0.13 0.64 0.05 -1.26 -3.27 118.68 118.57 1rre s LEU 610 Ca 0.00 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.08 1rre s LEU 610 Cb 0.00 -2.46 0.02 0.00 -2.05 0.00 0.00 46.19 41.70 1rre s LEU 610 CO 0.00 0.05 -0.15 -0.76 -0.55 0.00 0.00 176.35 174.94 1rre s LEU 611 N -3.22 1.74 -0.86 1.48 1.02 0.14 -4.93 118.68 114.05 1rre s LEU 611 Ca 0.32 -0.47 -0.18 0.00 0.02 0.00 0.00 54.13 53.82 1rre s LEU 611 Cb -0.10 -1.16 0.14 0.00 0.02 0.00 0.00 46.19 45.10 1rre s LEU 611 CO 0.24 -0.01 1.00 0.42 0.02 0.00 0.00 176.35 178.02 1rre s THR 612 N 1.19 4.91 0.01 5.49 -4.23 -1.26 -0.56 115.64 121.19 1rre s THR 612 Ca -0.02 -1.65 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 1rre s THR 612 Cb -0.14 -4.68 -0.04 0.00 1.34 0.00 0.00 72.50 68.98 1rre s THR 612 CO -0.06 -1.37 0.87 -0.63 -0.54 0.00 0.00 174.62 172.89 1rre s ILE 613 N 2.21 4.82 0.09 2.99 1.01 -0.27 -3.89 121.20 128.16 1rre s ILE 613 Ca 0.27 1.83 0.09 0.00 0.00 0.00 0.00 60.65 62.84 1rre s ILE 613 Cb -0.08 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 1rre s ILE 613 CO -0.07 0.25 -0.24 -1.61 0.00 0.00 0.00 174.94 173.27 1rre s GLU 614 N 0.58 1.39 0.02 2.79 2.02 -0.26 -1.69 118.70 123.54 1rre s GLU 614 Ca 0.45 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1rre s GLU 614 Cb -0.20 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1rre s GLU 614 CO 0.25 0.41 -0.03 0.95 0.02 0.00 0.00 175.26 176.86 1rre s THR 615 N -0.99 0.11 -0.01 3.63 -4.23 -0.84 -1.55 115.64 111.75 1rre s THR 615 Ca 0.10 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1rre s THR 615 Cb -0.10 -0.22 -0.00 0.00 1.34 0.00 0.00 72.50 73.52 1rre s THR 615 CO 0.04 -0.37 -0.09 0.00 -0.54 0.00 0.00 174.62 173.65 1rre s ALA 616 N -1.11 0.79 -0.32 3.99 0.00 -0.40 -4.80 121.76 119.91 1rre s ALA 616 Ca -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 1rre s ALA 616 Cb -0.08 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.93 1rre s ALA 616 CO -0.01 0.17 0.18 0.00 0.00 0.00 0.00 175.76 176.10 1rre s VAL 618 N 1.62 3.48 0.32 0.00 -7.23 -0.78 -4.88 120.40 112.94 1rre s VAL 618 Ca 0.13 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 1rre s VAL 618 Cb -0.19 -2.80 -0.13 0.00 0.56 0.00 0.00 36.38 33.82 1rre s VAL 618 CO -0.19 -0.25 1.28 -2.65 -0.31 0.00 0.00 175.10 172.98 1rre n PRO 619 N -0.50 2.03 0.00 4.82 -0.02 -1.26 -0.08 135.00 140.00 1rre n PRO 619 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1rre n PRO 619 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1rre n PRO 619 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rre n GLY 620 N 1.02 1.27 1.32 -1.23 0.00 -0.14 -4.50 105.19 102.92 1rre n GLY 620 Ca 0.06 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1rre n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rre n LYS 621 N 0.00 3.24 -1.04 1.61 5.02 -1.26 -3.76 118.16 121.96 1rre n LYS 621 Ca 0.00 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1rre n LYS 621 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1rre n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rre n GLY 622 N 1.10 1.15 3.77 0.72 0.00 -1.14 -4.73 105.19 106.06 1rre n GLY 622 Ca 0.23 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1rre n GLY 622 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rre s LYS 623 N -2.53 3.75 -0.12 1.61 2.20 -1.25 -4.87 119.74 118.53 1rre s LYS 623 Ca 0.00 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 1rre s LYS 623 Cb 0.00 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1rre s LYS 623 CO 0.00 -0.54 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.83 1rre s LEU 624 N -3.14 1.47 -0.04 5.43 2.01 -1.26 -0.44 118.68 122.72 1rre s LEU 624 Ca 0.65 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.42 1rre s LEU 624 Cb -0.26 -0.99 0.02 0.00 0.01 0.00 0.00 46.19 44.97 1rre s LEU 624 CO 0.31 -0.06 -0.06 0.42 1.01 0.00 0.00 176.35 177.97 1rre s THR 625 N 1.43 0.61 -0.10 5.49 -4.23 -0.25 -5.00 115.64 113.60 1rre s THR 625 Ca 0.01 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1rre s THR 625 Cb -0.13 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.13 1rre s THR 625 CO -0.07 0.23 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.87 1rre s TYR 626 N 0.70 1.27 0.23 3.99 4.12 -1.26 -0.75 117.35 125.65 1rre s TYR 626 Ca -0.10 -0.57 0.01 0.00 0.02 0.00 0.00 57.07 56.43 1rre s TYR 626 Cb -0.13 -1.09 -0.05 0.00 -1.52 0.00 0.00 41.96 39.17 1rre s TYR 626 CO 0.01 -0.43 0.09 0.95 0.02 0.00 0.00 175.55 176.19 1rre s THR 627 N 1.60 0.39 0.00 -0.71 -4.23 0.37 -4.95 115.64 108.10 1rre s THR 627 Ca 0.02 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1rre s THR 627 Cb -0.13 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1rre s THR 627 CO -0.06 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1rre n GLY 628 N -0.37 1.35 3.83 3.99 0.00 -1.26 -1.51 105.19 111.22 1rre n GLY 628 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1rre n GLY 628 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rre n SER 629 N 0.00 -1.41 -4.69 1.61 7.64 -1.23 -4.53 113.62 111.02 1rre n SER 629 Ca 0.00 -0.88 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 1rre n SER 629 Cb 0.00 -3.66 -0.04 0.00 -1.01 0.00 0.00 64.21 59.50 1rre n SER 629 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rre s LEU 630 N -6.87 4.25 0.84 -3.43 1.43 -1.26 -1.07 118.68 112.58 1rre s LEU 630 Ca 0.11 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 1rre s LEU 630 Cb -0.06 -3.33 0.10 0.00 0.03 0.00 0.00 46.19 42.93 1rre s LEU 630 CO 0.84 -0.33 1.15 -0.83 0.23 0.00 0.00 176.35 177.41 1rre s GLY 631 N 1.04 1.59 0.17 -3.19 0.00 0.50 -4.78 107.32 102.66 1rre s GLY 631 Ca 0.43 -0.52 -0.14 0.00 0.00 0.00 0.00 44.72 44.48 1rre s GLY 631 CO 0.17 -0.02 1.78 -2.09 0.00 0.00 0.00 173.10 172.94 1rre h GLU 632 N -1.22 0.42 -0.86 2.90 4.81 -1.97 -1.31 114.58 117.35 1rre h GLU 632 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1rre h GLU 632 Cb 1.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1rre h GLU 632 CO 0.63 0.28 0.00 0.28 -0.73 0.00 0.00 179.01 179.47 1rre n VAL 633 N -4.92 0.01 0.00 0.32 0.31 -1.26 -1.09 118.33 111.70 1rre n VAL 633 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1rre n VAL 633 Cb 0.12 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1rre n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rre n GLN 635 N 0.70 0.00 -0.07 5.55 6.02 -0.50 -1.49 117.38 127.59 1rre n GLN 635 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1rre n GLN 635 Cb 0.01 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.52 1rre n GLN 635 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1rre h GLU 636 N 0.00 0.69 -0.15 -1.09 5.08 -1.37 -1.98 114.58 115.77 1rre h GLU 636 Ca 0.00 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1rre h GLU 636 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1rre h GLU 636 CO 0.00 0.64 -0.20 0.66 -1.00 0.00 0.00 179.01 179.11 1rre h SER 637 N 0.67 0.24 -0.25 1.42 4.64 -1.53 -1.30 113.55 117.44 1rre h SER 637 Ca 0.15 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1rre h SER 637 Cb 0.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1rre h SER 637 CO 0.00 0.46 0.01 0.40 -0.87 0.00 0.00 176.83 176.83 1rre h ILE 638 N 0.23 1.25 -0.59 0.95 2.04 -1.67 -0.21 117.51 119.50 1rre h ILE 638 Ca 0.04 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1rre h ILE 638 Cb 0.49 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1rre h ILE 638 CO 0.03 0.27 0.37 1.56 0.00 0.00 0.00 178.15 180.39 1rre h GLN 639 N 0.22 0.80 -0.61 2.37 4.20 -0.94 -0.14 115.11 121.01 1rre h GLN 639 Ca 0.07 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1rre h GLN 639 Cb 0.39 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1rre h GLN 639 CO 0.01 0.56 0.36 0.00 -0.67 0.00 0.00 178.83 179.09 1rre h ALA 640 N 1.19 0.79 -0.50 3.87 0.00 -1.12 -1.14 119.26 122.35 1rre h ALA 640 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1rre h ALA 640 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1rre h ALA 640 CO -0.04 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.43 1rre h ALA 641 N 1.28 0.66 -0.41 0.00 0.00 -0.49 -1.30 119.26 119.00 1rre h ALA 641 Ca 0.25 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1rre h ALA 641 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rre h ALA 641 CO -0.12 0.33 -0.13 1.25 0.00 0.00 0.00 179.25 180.58 1rre h LEU 642 N 0.68 0.82 -0.78 0.00 5.85 -0.96 -2.08 115.31 118.85 1rre h LEU 642 Ca 0.16 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1rre h LEU 642 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1rre h LEU 642 CO -0.00 1.01 0.47 0.74 -0.34 0.00 0.00 178.44 180.31 1rre h THR 643 N 0.63 1.22 -0.71 1.05 2.02 -0.79 -0.66 112.91 115.67 1rre h THR 643 Ca 0.10 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.87 1rre h THR 643 Cb 0.66 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1rre h THR 643 CO 0.05 0.23 0.38 0.58 0.37 0.00 0.00 175.52 177.12 1rre h VAL 644 N 1.06 0.91 -0.29 3.16 2.07 -1.01 0.59 116.25 122.75 1rre h VAL 644 Ca 0.28 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1rre h VAL 644 Cb -0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1rre h VAL 644 CO -0.05 0.12 0.12 0.58 0.02 0.00 0.00 177.57 178.36 1rre h VAL 645 N 0.67 1.17 -0.51 2.57 2.07 -1.10 -1.86 116.25 119.26 1rre h VAL 645 Ca 0.33 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1rre h VAL 645 Cb 0.28 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1rre h VAL 645 CO -0.23 0.18 0.33 0.03 0.02 0.00 0.00 177.57 177.90 1rre h ARG 646 N 0.32 0.64 -0.66 1.57 3.08 -0.73 -0.39 114.38 118.22 1rre h ARG 646 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1rre h ARG 646 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1rre h ARG 646 CO -0.01 0.42 0.38 0.00 -1.07 0.00 0.00 179.97 179.69 1rre h ALA 647 N 1.20 1.43 -0.62 0.04 0.00 -0.72 -2.63 119.26 117.96 1rre h ALA 647 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rre h ALA 647 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1rre h ALA 647 CO -0.06 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.21 1rre n ARG 648 N -4.39 3.50 -0.24 0.00 1.74 -0.71 -4.76 116.66 111.79 1rre n ARG 648 Ca 0.06 -2.66 -0.02 0.00 -0.77 0.00 0.00 57.85 54.46 1rre n ARG 648 Cb 0.08 -1.84 0.09 0.00 -1.02 0.00 0.00 32.46 29.78 1rre n ARG 648 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rre h ALA 649 N 4.08 0.91 -0.50 7.54 0.00 -0.68 -1.88 119.26 128.74 1rre h ALA 649 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rre h ALA 649 Cb 1.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1rre h ALA 649 CO 0.21 0.14 0.33 0.93 0.00 0.00 0.00 179.25 180.85 1rre h GLU 650 N 0.78 0.65 0.00 0.00 5.08 -1.85 -1.22 114.58 118.02 1rre h GLU 650 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1rre h GLU 650 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1rre h GLU 650 CO -0.14 0.43 0.00 0.87 -1.00 0.00 0.00 179.01 179.17 1rre h LYS 651 N 0.67 0.00 -0.04 2.33 1.79 -1.71 -3.02 116.57 116.59 1rre h LYS 651 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1rre h LYS 651 Cb -0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1rre h LYS 651 CO -0.04 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.61 1rre n LEU 652 N -2.73 2.58 0.00 2.94 4.32 -0.92 -4.96 117.00 118.23 1rre n LEU 652 Ca 0.02 -0.87 0.00 0.00 -0.02 0.00 0.00 56.01 55.14 1rre n LEU 652 Cb 0.31 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1rre n LEU 652 CO 0.26 0.44 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1rre n GLY 653 N 1.30 0.39 3.63 -0.72 0.00 -1.10 -4.98 105.19 103.71 1rre n GLY 653 Ca 0.16 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1rre n GLY 653 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rre s ILE 654 N -2.00 3.93 -0.07 -0.61 1.01 -0.51 -4.93 121.20 118.02 1rre s ILE 654 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1rre s ILE 654 Cb 0.00 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1rre s ILE 654 CO 0.00 0.53 1.43 0.21 0.00 0.00 0.00 174.94 177.11 1rre s ASN 655 N -1.04 6.83 0.66 3.58 3.04 -1.26 -4.08 114.94 122.66 1rre s ASN 655 Ca 0.14 2.01 0.36 0.00 0.04 0.00 0.00 52.86 55.42 1rre s ASN 655 Cb -0.11 -2.55 1.98 0.00 -1.54 0.00 0.00 41.25 39.04 1rre s ASN 655 CO 0.04 -0.79 2.14 -0.65 -3.04 0.00 0.00 177.10 174.81 1rre h PRO 656 N 8.43 0.00 0.00 0.43 0.11 -1.95 -1.48 132.00 137.55 1rre h PRO 656 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1rre h PRO 656 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rre h PRO 656 CO 0.94 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 1rre n ASP 657 N -3.12 0.00 0.20 -2.05 5.68 -1.26 -3.86 116.55 112.14 1rre n ASP 657 Ca -0.02 -1.03 0.17 0.00 -0.50 0.00 0.00 54.79 53.41 1rre n ASP 657 Cb 0.24 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.04 1rre n ASP 657 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1rre h PHE 658 N 0.00 0.00 0.00 2.11 -5.15 -1.66 0.27 116.94 112.51 1rre h PHE 658 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 1rre h PHE 658 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1rre h PHE 658 CO 0.00 0.00 -0.17 0.10 -2.00 0.00 0.00 178.31 176.24 1rre h TYR 659 N 0.00 0.00 0.00 6.09 -0.00 -1.84 -1.34 116.97 119.88 1rre h TYR 659 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 1rre h TYR 659 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.24 1rre h TYR 659 CO 0.00 0.17 -0.89 0.39 -0.00 0.00 0.00 178.16 177.83 1rre n GLU 660 N -4.29 1.49 0.00 0.10 1.02 0.85 -3.95 120.64 115.85 1rre n GLU 660 Ca -0.02 -0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.13 1rre n GLU 660 Cb 0.24 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1rre n GLU 660 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rre n LYS 661 N -1.47 4.24 -5.08 3.49 5.02 -0.59 -3.69 118.16 120.07 1rre n LYS 661 Ca 0.02 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 1rre n LYS 661 Cb 0.28 -0.89 -0.16 0.00 -0.02 0.00 0.00 35.03 34.23 1rre n LYS 661 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rre s ARG 662 N -1.77 2.14 -0.07 1.97 1.81 -0.52 -0.97 118.95 121.54 1rre s ARG 662 Ca 0.03 -0.78 -0.19 0.00 -1.72 0.00 0.00 55.73 53.07 1rre s ARG 662 Cb 0.06 -1.87 -0.05 0.00 -0.45 0.00 0.00 34.95 32.65 1rre s ARG 662 CO 0.34 0.35 0.54 -0.51 -0.68 0.00 0.00 175.30 175.33 1rre s ASP 663 N -0.16 6.83 -0.13 0.23 1.01 0.88 -2.90 116.67 122.44 1rre s ASP 663 Ca -0.01 0.99 0.02 0.00 0.71 0.00 0.00 52.55 54.25 1rre s ASP 663 Cb -0.12 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1rre s ASP 663 CO 0.02 0.04 -0.20 -0.63 0.21 0.00 0.00 175.17 174.62 1rre s ILE 664 N 0.26 2.37 -0.25 0.77 1.01 0.42 -1.86 121.20 123.91 1rre s ILE 664 Ca 0.29 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1rre s ILE 664 Cb -0.17 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.41 1rre s ILE 664 CO 0.14 0.54 -0.11 -2.28 0.00 0.00 0.00 174.94 173.23 1rre s HIS 665 N 0.60 3.11 -0.16 3.97 2.46 0.55 -1.08 115.29 124.73 1rre s HIS 665 Ca -0.11 -2.19 -0.15 0.00 0.47 0.00 0.00 55.06 53.08 1rre s HIS 665 Cb -0.16 -1.88 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 1rre s HIS 665 CO 0.03 -0.86 0.37 0.08 -2.47 0.00 0.00 174.74 171.89 1rre s VAL 666 N 1.16 5.25 -0.01 0.89 1.01 0.07 -1.28 120.40 127.49 1rre s VAL 666 Ca -0.07 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1rre s VAL 666 Cb -0.19 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1rre s VAL 666 CO -0.06 0.34 0.02 -2.28 0.00 0.00 0.00 175.10 173.12 1rre s HIS 667 N 0.68 0.02 -0.41 5.22 2.46 -0.60 -0.48 115.29 122.18 1rre s HIS 667 Ca 0.20 0.07 0.02 0.00 0.47 0.00 0.00 55.06 55.82 1rre s HIS 667 Cb -0.14 -0.13 0.12 0.00 -0.13 0.00 0.00 32.58 32.30 1rre s HIS 667 CO 0.06 -0.05 0.17 0.08 -2.47 0.00 0.00 174.74 172.54 1rre s VAL 668 N 0.57 1.76 0.78 0.89 1.01 -0.57 -1.10 120.40 123.75 1rre s VAL 668 Ca -0.05 -2.45 -0.11 0.00 0.00 0.00 0.00 61.98 59.37 1rre s VAL 668 Cb -0.07 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.12 1rre s VAL 668 CO -0.02 -0.76 1.11 -2.16 0.00 0.00 0.00 175.10 173.27 1rre s PRO 669 N 0.58 2.07 0.17 2.72 0.05 -1.25 -4.33 135.00 135.00 1rre s PRO 669 Ca 0.14 1.31 -0.30 0.00 0.05 0.00 0.00 61.00 62.21 1rre s PRO 669 Cb -0.22 -1.87 -0.07 0.00 0.05 0.00 0.00 34.50 32.39 1rre s PRO 669 CO -0.07 -1.81 1.07 -1.21 0.05 0.00 0.00 177.00 175.04 1rre s GLU 670 N -4.68 4.62 0.53 4.56 8.01 -1.26 -4.36 118.70 126.11 1rre s GLU 670 Ca 0.64 1.67 0.23 0.00 0.01 0.00 0.00 54.97 57.52 1rre s GLU 670 Cb -0.19 -3.29 1.37 0.00 -4.31 0.00 0.00 34.13 27.70 1rre s GLU 670 CO 0.54 0.11 2.03 0.78 0.01 0.00 0.00 175.26 178.73 1rre h GLY 671 N 5.14 0.00 0.71 -1.39 0.00 -1.89 -2.25 103.07 103.39 1rre h GLY 671 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1rre h GLY 671 CO 0.72 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 176.46 1rre n ALA 672 N -2.62 3.59 -2.47 3.60 0.00 -1.26 -3.49 120.51 117.85 1rre n ALA 672 Ca 0.07 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 1rre n ALA 672 Cb 0.49 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 1rre n ALA 672 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rre s THR 673 N -3.10 4.27 0.24 0.00 2.01 -0.85 -4.94 115.64 113.27 1rre s THR 673 Ca 0.07 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1rre s THR 673 Cb 0.16 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 1rre s THR 673 CO 0.77 -0.38 1.41 -2.84 -0.69 0.00 0.00 174.62 172.89 1rre s PRO 674 N 3.87 4.29 0.04 4.92 0.02 -1.26 -4.51 135.00 142.37 1rre s PRO 674 Ca 0.53 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.84 1rre s PRO 674 Cb -0.17 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1rre s PRO 674 CO 0.19 -0.39 -0.12 0.15 -0.33 0.00 0.00 177.00 176.51 1rre s LYS 675 N -0.30 0.77 0.27 5.54 1.02 -0.23 -1.59 119.74 125.22 1rre s LYS 675 Ca 0.59 -0.70 -0.20 0.00 0.02 0.00 0.00 55.97 55.68 1rre s LYS 675 Cb -0.41 -0.72 0.06 0.00 -0.52 0.00 0.00 37.83 36.24 1rre s LYS 675 CO 0.42 0.17 0.90 0.34 -0.92 0.00 0.00 175.35 176.27 1rre s ASP 676 N -1.15 -0.04 0.00 2.83 -1.08 -0.92 -0.37 116.67 115.95 1rre s ASP 676 Ca -0.01 -0.83 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 1rre s ASP 676 Cb -0.08 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 1rre s ASP 676 CO 0.01 -1.30 0.00 0.61 0.52 0.00 0.00 175.17 175.01 1rre n GLY 677 N -0.59 0.18 0.58 2.66 0.00 -1.26 -3.64 105.19 103.13 1rre n GLY 677 Ca -0.06 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.26 1rre n GLY 677 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rre n PRO 678 N 0.38 1.80 0.03 1.61 -0.04 -1.26 -4.55 135.00 132.98 1rre n PRO 678 Ca 0.00 -1.17 0.12 0.00 -0.04 0.00 0.00 63.50 62.41 1rre n PRO 678 Cb 0.00 -1.47 0.50 0.00 -0.04 0.00 0.00 33.50 32.49 1rre n PRO 678 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rre n ALA 679 N 0.42 2.12 1.43 0.55 0.00 -1.26 -2.17 120.51 121.60 1rre n ALA 679 Ca 0.18 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1rre n ALA 679 Cb 0.40 -1.41 0.44 0.00 0.00 0.00 0.00 19.45 18.88 1rre n ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rre n ALA 680 N -1.58 2.55 -0.12 0.00 0.00 -1.26 -0.54 120.51 119.56 1rre n ALA 680 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 1rre n ALA 680 Cb 0.31 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1rre n ALA 680 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rre h GLY 681 N 5.07 0.50 1.77 0.00 0.00 -1.19 -1.78 103.07 107.45 1rre h GLY 681 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1rre h GLY 681 CO 0.00 -0.00 -0.55 0.16 0.00 0.00 0.00 176.54 176.15 1rre h ILE 682 N 0.26 1.37 0.00 2.60 3.07 -1.64 -1.92 117.51 121.24 1rre h ILE 682 Ca 0.19 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.74 1rre h ILE 682 Cb 0.20 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1rre h ILE 682 CO -0.21 0.55 0.00 0.00 -1.05 0.00 0.00 178.15 177.44 1rre n ALA 683 N -2.47 1.05 0.00 0.16 0.00 -0.67 -1.16 120.51 117.42 1rre n ALA 683 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rre n ALA 683 Cb 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1rre n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rre h THR 686 N 0.00 1.14 -0.32 0.00 2.02 -1.42 -1.17 112.91 113.17 1rre h THR 686 Ca 0.00 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1rre h THR 686 Cb 0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1rre h THR 686 CO 0.00 0.14 0.17 0.00 0.37 0.00 0.00 175.52 176.21 1rre h ALA 687 N 1.17 0.39 -0.11 6.16 0.00 -0.87 -1.23 119.26 124.75 1rre h ALA 687 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rre h ALA 687 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rre h ALA 687 CO -0.04 -0.20 0.04 -0.07 0.00 0.00 0.00 179.25 178.98 1rre h LEU 688 N 0.36 0.17 -0.61 0.00 3.38 -1.74 -0.11 115.31 116.76 1rre h LEU 688 Ca 0.13 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1rre h LEU 688 Cb 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1rre h LEU 688 CO -0.07 0.32 0.29 0.58 0.09 0.00 0.00 178.44 179.65 1rre h VAL 689 N 0.00 0.88 0.01 1.22 2.07 -1.17 -0.61 116.25 118.66 1rre h VAL 689 Ca 0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1rre h VAL 689 Cb 0.22 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1rre h VAL 689 CO -0.00 0.10 -0.01 -1.28 0.02 0.00 0.00 177.57 176.40 1rre h SER 690 N 0.53 -0.01 -0.64 0.57 0.87 -1.02 -2.50 113.55 111.35 1rre h SER 690 Ca 0.29 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1rre h SER 690 Cb 0.26 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 1rre h SER 690 CO -0.23 0.09 0.35 0.00 -0.53 0.00 0.00 176.83 176.51 1rre n LEU 692 N -4.81 0.31 0.00 0.00 4.77 -0.25 -3.69 117.00 113.33 1rre n LEU 692 Ca 0.08 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1rre n LEU 692 Cb 0.17 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1rre n LEU 692 CO 0.29 -0.06 0.21 0.35 -1.33 0.00 0.00 177.39 176.85 1rre n THR 693 N -1.78 0.00 -1.16 -5.08 -2.24 -0.96 -4.93 114.28 98.13 1rre n THR 693 Ca 0.06 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.32 1rre n THR 693 Cb 0.37 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1rre n THR 693 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rre n GLY 694 N 0.09 0.77 3.44 3.38 0.00 -0.66 -5.00 105.19 107.21 1rre n GLY 694 Ca 0.00 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 1rre n GLY 694 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rre s ASN 695 N -2.59 6.21 0.45 1.61 3.04 -1.04 -4.99 114.94 117.63 1rre s ASN 695 Ca 0.00 -0.97 -0.24 0.00 0.04 0.00 0.00 52.86 51.69 1rre s ASN 695 Cb 0.00 -2.27 -0.07 0.00 -1.54 0.00 0.00 41.25 37.36 1rre s ASN 695 CO 0.00 -0.85 1.23 -2.16 -3.04 0.00 0.00 177.10 172.28 1rre s PRO 696 N 2.46 3.75 0.67 0.43 0.04 -1.26 -4.53 135.00 136.57 1rre s PRO 696 Ca 0.13 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1rre s PRO 696 Cb -0.20 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1rre s PRO 696 CO 0.11 -0.61 1.05 0.14 0.04 0.00 0.00 177.00 177.74 1rre s VAL 697 N -1.43 4.12 0.22 -0.36 -7.23 -0.81 -1.63 120.40 113.28 1rre s VAL 697 Ca 0.62 0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 61.28 1rre s VAL 697 Cb -0.33 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.05 1rre s VAL 697 CO 0.40 -0.87 0.81 -0.13 -0.31 0.00 0.00 175.10 175.00 1rre s ARG 698 N -4.96 4.49 0.50 4.82 0.52 -0.10 -4.80 118.95 119.42 1rre s ARG 698 Ca 0.58 1.12 -0.23 0.00 -0.52 0.00 0.00 55.73 56.68 1rre s ARG 698 Cb -0.14 -3.04 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 1rre s ARG 698 CO 0.53 0.45 1.29 0.00 0.02 0.00 0.00 175.30 177.59 1rre n ALA 699 N 1.08 1.38 -1.91 2.13 0.00 -1.26 -3.21 120.51 118.72 1rre n ALA 699 Ca -0.03 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1rre n ALA 699 Cb 0.50 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1rre n ALA 699 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rre n ASP 700 N -0.49 -5.37 -4.84 0.00 10.43 -1.26 -4.91 116.55 110.12 1rre n ASP 700 Ca 0.09 0.26 -0.36 0.00 2.57 0.00 0.00 54.79 57.34 1rre n ASP 700 Cb 0.43 -4.48 -0.07 0.00 1.84 0.00 0.00 41.12 38.84 1rre n ASP 700 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1rre s VAL 701 N -2.81 5.42 0.00 2.53 1.01 -1.20 -1.19 120.40 124.17 1rre s VAL 701 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1rre s VAL 701 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1rre s VAL 701 CO 0.00 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1rre n ALA 702 N 2.32 0.00 -3.64 5.51 0.00 -0.08 -4.31 120.51 120.30 1rre n ALA 702 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 1rre n ALA 702 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1rre n ALA 702 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rre s THR 704 N -1.58 0.00 0.00 0.00 -1.32 -0.63 -0.88 115.64 111.22 1rre s THR 704 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1rre s THR 704 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1rre s THR 704 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1rre n GLY 705 N 1.72 3.72 3.74 6.08 0.00 0.30 -3.52 105.19 117.23 1rre n GLY 705 Ca -0.11 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1rre n GLY 705 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rre s GLU 706 N -1.10 4.59 -0.03 1.61 2.12 -0.89 -1.95 118.70 123.04 1rre s GLU 706 Ca 0.00 1.25 -0.10 0.00 0.36 0.00 0.00 54.97 56.48 1rre s GLU 706 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1rre s GLU 706 CO 0.00 0.24 0.28 -1.50 -0.54 0.00 0.00 175.26 173.74 1rre s ILE 707 N 0.00 5.27 0.32 -3.70 1.10 -1.26 -0.39 121.20 122.53 1rre s ILE 707 Ca 0.43 0.42 0.09 0.00 -0.51 0.00 0.00 60.65 61.08 1rre s ILE 707 Cb -0.22 -3.56 -0.05 0.00 0.15 0.00 0.00 42.46 38.78 1rre s ILE 707 CO 0.26 0.51 0.01 0.42 -2.11 0.00 0.00 174.94 174.04 1rre s THR 708 N -1.15 2.88 0.41 4.00 -4.23 -1.03 -4.95 115.64 111.58 1rre s THR 708 Ca 0.23 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1rre s THR 708 Cb -0.14 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.06 1rre s THR 708 CO 0.11 -0.26 1.93 -0.07 -0.54 0.00 0.00 174.62 175.80 1rre h LEU 709 N 1.82 0.06 0.00 4.79 3.38 -1.90 -1.98 115.31 121.48 1rre h LEU 709 Ca -0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rre h LEU 709 Cb 1.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1rre h LEU 709 CO 0.64 0.28 0.00 -2.11 0.09 0.00 0.00 178.44 177.34 1rre n ARG 710 N -4.26 0.01 -0.67 1.13 1.85 -1.26 -4.73 116.66 108.73 1rre n ARG 710 Ca -0.02 0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1rre n ARG 710 Cb 0.29 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1rre n ARG 710 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rre n GLY 711 N 0.65 0.66 3.79 2.89 0.00 -0.74 -4.97 105.19 107.47 1rre n GLY 711 Ca 0.05 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1rre n GLY 711 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rre s GLN 712 N -0.35 4.26 -0.22 1.61 2.00 -1.26 -0.52 119.66 125.19 1rre s GLN 712 Ca 0.00 1.36 -0.07 0.00 -2.00 0.00 0.00 55.36 54.65 1rre s GLN 712 Cb 0.00 -2.49 -0.03 0.00 0.80 0.00 0.00 33.01 31.29 1rre s GLN 712 CO 0.00 -0.03 0.06 0.08 -0.50 0.00 0.00 175.29 174.90 1rre s VAL 713 N -1.80 4.41 0.17 1.34 1.01 -0.06 -2.48 120.40 122.99 1rre s VAL 713 Ca 0.58 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1rre s VAL 713 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1rre s VAL 713 CO 0.22 0.39 0.16 -0.76 0.00 0.00 0.00 175.10 175.11 1rre s LEU 714 N 1.10 3.87 0.76 3.92 1.43 0.47 -4.62 118.68 125.61 1rre s LEU 714 Ca 0.04 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1rre s LEU 714 Cb -0.14 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.66 1rre s LEU 714 CO 0.03 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 1rre s PRO 715 N -3.16 2.33 0.44 1.29 0.04 -1.26 -2.10 135.00 132.58 1rre s PRO 715 Ca 0.31 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.56 1rre s PRO 715 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1rre s PRO 715 CO 0.24 -1.59 0.03 0.96 0.04 0.00 0.00 177.00 176.68 1rre s ILE 716 N -2.87 1.32 0.47 0.56 -5.25 -1.26 -4.67 121.20 109.49 1rre s ILE 716 Ca 0.61 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 58.35 1rre s ILE 716 Cb -0.17 -2.50 0.01 0.00 2.95 0.00 0.00 42.46 42.74 1rre s ILE 716 CO 0.55 0.00 0.44 -0.83 -1.79 0.00 0.00 174.94 173.31 1rre s GLY 717 N -3.74 2.14 -1.49 6.27 0.00 -1.26 -4.75 107.32 104.49 1rre s GLY 717 Ca 0.20 -1.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 1rre s GLY 717 CO 0.10 -1.75 0.41 0.61 0.00 0.00 0.00 173.10 172.48 1rre n GLY 718 N -1.70 -0.24 0.35 0.20 0.00 -1.26 -4.88 105.19 97.65 1rre n GLY 718 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1rre n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rre h LEU 719 N -1.76 0.84 -0.09 0.99 5.85 -1.98 -2.72 115.31 116.45 1rre h LEU 719 Ca -0.63 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.07 1rre h LEU 719 Cb 1.38 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1rre h LEU 719 CO 0.67 0.60 0.04 0.50 -0.34 0.00 0.00 178.44 179.91 1rre h LYS 720 N 0.99 0.13 -0.71 1.25 3.64 -1.93 -1.00 116.57 118.94 1rre h LYS 720 Ca 0.28 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1rre h LYS 720 Cb -0.09 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1rre h LYS 720 CO -0.06 0.24 0.41 0.93 -2.27 0.00 0.00 179.45 178.70 1rre h GLU 721 N -0.01 0.97 -0.33 1.90 3.07 -1.92 -0.64 114.58 117.62 1rre h GLU 721 Ca 0.03 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1rre h GLU 721 Cb 0.16 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1rre h GLU 721 CO -0.00 0.70 0.02 0.87 -1.40 0.00 0.00 179.01 179.20 1rre h LYS 722 N 0.99 0.56 -0.62 2.33 1.57 -1.11 -1.64 116.57 118.65 1rre h LYS 722 Ca 0.25 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1rre h LYS 722 Cb -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1rre h LYS 722 CO -0.04 0.67 0.09 -0.07 -0.57 0.00 0.00 179.45 179.53 1rre h LEU 723 N 0.38 0.98 -0.37 2.94 4.07 -0.76 -0.85 115.31 121.69 1rre h LEU 723 Ca 0.10 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.87 1rre h LEU 723 Cb 0.41 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1rre h LEU 723 CO 0.01 0.98 0.12 0.25 -1.08 0.00 0.00 178.44 178.72 1rre h LEU 724 N 0.96 0.12 -1.29 1.67 7.12 -1.05 0.94 115.31 123.78 1rre h LEU 724 Ca 0.19 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.21 1rre h LEU 724 Cb 0.43 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1rre h LEU 724 CO 0.01 0.10 0.10 0.00 -0.13 0.00 0.00 178.44 178.53 1rre h ALA 725 N 1.24 1.44 -0.20 1.25 0.00 -0.85 0.20 119.26 122.34 1rre h ALA 725 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rre h ALA 725 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rre h ALA 725 CO -0.18 0.42 0.04 0.00 0.00 0.00 0.00 179.25 179.52 1rre h ALA 726 N 1.54 0.26 0.27 0.00 0.00 -0.75 -2.11 119.26 118.47 1rre h ALA 726 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rre h ALA 726 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rre h ALA 726 CO -0.00 -0.07 -0.22 1.25 0.00 0.00 0.00 179.25 180.20 1rre h HIS 727 N 0.13 -0.58 0.00 0.00 6.17 -0.09 -1.39 115.15 119.39 1rre h HIS 727 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1rre h HIS 727 Cb 0.30 0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.45 1rre h HIS 727 CO 0.02 -0.33 0.00 -0.09 0.71 0.00 0.00 177.93 178.24 1rre h ARG 728 N -0.50 0.00 -0.70 5.26 2.43 -1.05 -1.86 114.38 117.95 1rre h ARG 728 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1rre h ARG 728 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1rre h ARG 728 CO -0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.85 1rre n GLY 729 N -1.02 2.55 2.39 2.80 0.00 -0.62 -4.96 105.19 106.32 1rre n GLY 729 Ca -0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1rre n GLY 729 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rre n GLY 730 N 1.53 0.40 3.74 -0.02 0.00 -0.70 -4.95 105.19 105.19 1rre n GLY 730 Ca 0.24 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1rre n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rre s ILE 731 N -2.78 3.68 -0.05 -0.61 -1.09 -0.62 -4.84 121.20 114.88 1rre s ILE 731 Ca 0.00 1.40 0.14 0.00 -2.23 0.00 0.00 60.65 59.95 1rre s ILE 731 Cb 0.00 -3.89 -0.20 0.00 -1.58 0.00 0.00 42.46 36.78 1rre s ILE 731 CO 0.00 0.22 0.23 0.29 -1.23 0.00 0.00 174.94 174.45 1rre n LYS 732 N 2.59 0.87 -4.35 2.79 5.02 -0.33 -4.64 118.16 120.12 1rre n LYS 732 Ca 0.04 -0.09 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1rre n LYS 732 Cb 0.45 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.96 1rre n LYS 732 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rre s THR 733 N -2.78 1.13 -0.12 -0.18 2.01 -0.60 -0.89 115.64 114.21 1rre s THR 733 Ca -0.06 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1rre s THR 733 Cb 0.07 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.53 1rre s THR 733 CO 0.58 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.01 1rre s VAL 734 N 1.02 1.66 -0.12 3.82 1.01 -0.61 -0.91 120.40 126.27 1rre s VAL 734 Ca -0.08 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1rre s VAL 734 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1rre s VAL 734 CO -0.01 0.47 0.56 -0.76 0.00 0.00 0.00 175.10 175.37 1rre s LEU 735 N 0.98 4.26 0.11 3.92 1.43 -0.06 -1.19 118.68 128.12 1rre s LEU 735 Ca -0.06 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1rre s LEU 735 Cb -0.15 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1rre s LEU 735 CO -0.02 -0.08 -0.08 0.27 0.23 0.00 0.00 176.35 176.66 1rre s ILE 736 N 0.93 0.87 0.48 -0.59 -4.36 -0.62 -1.61 121.20 116.29 1rre s ILE 736 Ca 0.29 -1.86 -0.24 0.00 -0.26 0.00 0.00 60.65 58.58 1rre s ILE 736 Cb -0.16 -1.60 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 1rre s ILE 736 CO 0.12 -0.74 1.38 -2.65 0.24 0.00 0.00 174.94 173.29 1rre n PRO 737 N 0.13 2.03 -0.29 0.37 -0.02 -1.23 0.34 135.00 136.32 1rre n PRO 737 Ca -0.13 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.14 1rre n PRO 737 Cb 0.60 -2.57 0.28 0.00 -0.02 0.00 0.00 33.50 31.79 1rre n PRO 737 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1rre h PHE 738 N 1.99 0.98 0.00 6.00 3.57 -0.98 -1.34 116.94 127.16 1rre h PHE 738 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1rre h PHE 738 Cb 1.28 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1rre h PHE 738 CO 0.48 0.46 0.00 0.39 -2.23 0.00 0.00 178.31 177.41 1rre n GLU 739 N -4.53 0.68 -0.09 1.11 1.02 -1.26 -1.78 120.64 115.80 1rre n GLU 739 Ca 0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1rre n GLU 739 Cb 0.29 -1.48 0.17 0.00 -0.02 0.00 0.00 31.44 30.39 1rre n GLU 739 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rre n ASN 740 N -0.98 3.16 -0.11 1.62 3.02 -0.50 -4.56 115.26 116.91 1rre n ASN 740 Ca 0.16 -1.98 -0.05 0.00 -0.03 0.00 0.00 54.58 52.68 1rre n ASN 740 Cb 0.07 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1rre n ASN 740 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1rre h LYS 741 N 4.53 0.13 0.00 3.52 3.64 -1.45 -1.84 116.57 125.11 1rre h LYS 741 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1rre h LYS 741 Cb 0.98 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1rre h LYS 741 CO 0.00 0.09 -0.17 0.07 -2.27 0.00 0.00 179.45 177.17 1rre h ARG 742 N 0.14 0.00 0.00 1.90 0.11 -1.81 -1.32 114.38 113.39 1rre h ARG 742 Ca 0.19 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.24 1rre h ARG 742 Cb 0.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1rre h ARG 742 CO -0.29 0.17 -0.10 -0.44 0.10 0.00 0.00 179.97 179.41 1rre h ASP 743 N 0.00 0.00 0.03 0.08 3.32 -1.63 -2.89 116.42 115.34 1rre h ASP 743 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rre h ASP 743 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1rre h ASP 743 CO 0.02 0.10 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.57 1rre h LEU 744 N 0.00 0.00 -0.15 1.55 3.38 -1.18 -3.09 115.31 115.82 1rre h LEU 744 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rre h LEU 744 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rre h LEU 744 CO 0.01 0.00 0.10 -0.08 0.09 0.00 0.00 178.44 178.57 1rre h GLU 745 N 0.00 0.20 -0.10 1.13 4.57 -1.67 -3.03 114.58 115.69 1rre h GLU 745 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1rre h GLU 745 Cb 0.02 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1rre h GLU 745 CO 0.00 0.15 0.00 -0.85 -1.18 0.00 0.00 179.01 177.13 1rre n GLU 746 N -4.97 1.29 -3.57 1.92 0.00 -1.17 -4.75 120.64 109.40 1rre n GLU 746 Ca -0.04 -0.45 -0.38 0.00 0.00 0.00 0.00 57.16 56.29 1rre n GLU 746 Cb 0.03 -1.22 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 1rre n GLU 746 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1rre s ILE 747 N -1.87 5.11 1.02 3.84 1.01 -1.15 -5.09 121.20 124.07 1rre s ILE 747 Ca 0.20 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.44 1rre s ILE 747 Cb 0.10 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 39.12 1rre s ILE 747 CO 0.15 0.58 1.10 -2.16 0.00 0.00 0.00 174.94 174.61 1rre s PRO 748 N -1.10 0.22 0.14 2.79 0.04 -1.26 -4.98 135.00 130.86 1rre s PRO 748 Ca 0.23 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 1rre s PRO 748 Cb -0.16 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1rre s PRO 748 CO 0.12 -2.85 1.52 -0.44 0.04 0.00 0.00 177.00 175.39 1rre h ASP 749 N -1.98 0.94 1.60 6.66 3.45 -1.96 -3.29 116.42 121.84 1rre h ASP 749 Ca -0.54 -0.41 -0.04 0.00 0.43 0.00 0.00 57.03 56.48 1rre h ASP 749 Cb 1.33 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1rre h ASP 749 CO 0.56 1.14 -0.41 -0.55 -1.57 0.00 0.00 179.24 178.41 1rre h ASN 750 N 0.74 0.00 -0.37 6.45 7.08 -2.00 -2.36 115.58 125.12 1rre h ASN 750 Ca 0.10 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.24 1rre h ASN 750 Cb 0.79 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.98 1rre h ASN 750 CO 0.06 0.15 0.09 1.33 -2.08 0.00 0.00 177.43 176.99 1rre n VAL 751 N -3.03 1.69 0.00 6.14 0.24 -1.24 -4.02 118.33 118.11 1rre n VAL 751 Ca 0.02 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1rre n VAL 751 Cb 0.60 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1rre n VAL 751 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1rre n ILE 752 N 0.15 0.00 0.26 1.34 5.41 -1.23 -4.68 119.36 120.60 1rre n ILE 752 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 62.75 64.04 1rre n ILE 752 Cb 0.87 0.00 0.68 0.00 -0.71 0.00 0.00 39.64 40.48 1rre n ILE 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rre h ALA 753 N 0.00 1.70 -0.50 -1.39 0.00 -1.56 0.16 119.26 117.67 1rre h ALA 753 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rre h ALA 753 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rre h ALA 753 CO 0.00 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 1rre n ASP 754 N -4.19 5.15 -4.27 0.00 10.43 -1.26 -4.89 116.55 117.53 1rre n ASP 754 Ca -0.03 -2.90 -0.33 0.00 2.57 0.00 0.00 54.79 54.11 1rre n ASP 754 Cb 0.15 -0.63 -0.15 0.00 1.84 0.00 0.00 41.12 42.32 1rre n ASP 754 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1rre s LEU 755 N -2.67 2.45 -0.79 0.64 1.43 0.56 -4.70 118.68 115.60 1rre s LEU 755 Ca 0.51 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 1rre s LEU 755 Cb 0.39 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 45.16 1rre s LEU 755 CO 0.15 0.10 1.04 -0.62 0.23 0.00 0.00 176.35 177.25 1rre s ASP 756 N 0.70 6.39 -0.24 2.29 2.15 -0.07 -4.96 116.67 122.93 1rre s ASP 756 Ca -0.08 -1.51 -0.16 0.00 0.43 0.00 0.00 52.55 51.23 1rre s ASP 756 Cb -0.16 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1rre s ASP 756 CO 0.02 -1.25 0.44 -0.63 -0.17 0.00 0.00 175.17 173.57 1rre s ILE 757 N 3.38 5.14 -0.38 4.11 -1.09 -1.26 -1.58 121.20 129.53 1rre s ILE 757 Ca 0.27 0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 59.42 1rre s ILE 757 Cb -0.11 -3.76 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 1rre s ILE 757 CO 0.00 0.16 0.14 -1.00 -1.23 0.00 0.00 174.94 173.02 1rre s HIS 758 N 1.88 3.57 0.13 3.97 3.76 -0.33 -4.99 115.29 123.29 1rre s HIS 758 Ca 0.19 -2.45 -0.31 0.00 -0.15 0.00 0.00 55.06 52.34 1rre s HIS 758 Cb -0.15 -2.99 -0.09 0.00 1.11 0.00 0.00 32.58 30.46 1rre s HIS 758 CO 0.09 -0.94 1.53 -2.14 -0.85 0.00 0.00 174.74 172.43 1rre s PRO 759 N 1.11 4.24 0.05 8.40 0.02 -1.26 -1.59 135.00 145.98 1rre s PRO 759 Ca 0.07 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.43 1rre s PRO 759 Cb -0.22 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 1rre s PRO 759 CO -0.04 -0.58 -0.19 0.14 -0.33 0.00 0.00 177.00 175.99 1rre s VAL 760 N 1.39 1.52 -0.23 3.83 -7.23 0.15 -4.74 120.40 115.10 1rre s VAL 760 Ca 0.69 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 1rre s VAL 760 Cb -0.41 -1.35 -0.20 0.00 0.56 0.00 0.00 36.38 34.98 1rre s VAL 760 CO 0.31 0.09 -0.09 0.29 -0.31 0.00 0.00 175.10 175.39 1rre n LYS 761 N 1.70 0.67 -4.16 4.82 5.02 -1.26 -0.40 118.16 124.55 1rre n LYS 761 Ca -0.18 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1rre n LYS 761 Cb 0.54 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1rre n LYS 761 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rre s ARG 762 N -2.51 0.80 0.44 1.97 0.52 -1.26 -0.88 118.95 118.03 1rre s ARG 762 Ca -0.26 -1.14 0.10 0.00 -0.52 0.00 0.00 55.73 53.91 1rre s ARG 762 Cb 0.08 -0.43 0.97 0.00 0.52 0.00 0.00 34.95 36.09 1rre s ARG 762 CO 0.68 0.06 2.05 0.97 0.02 0.00 0.00 175.30 179.08 1rre h ILE 763 N 3.55 1.09 -0.51 1.52 6.09 -1.14 -2.02 117.51 126.10 1rre h ILE 763 Ca -0.37 -0.27 0.05 0.00 -1.37 0.00 0.00 64.86 62.90 1rre h ILE 763 Cb 1.19 0.82 -0.05 0.00 0.47 0.00 0.00 36.82 39.25 1rre h ILE 763 CO 0.54 0.10 0.24 -0.33 -3.07 0.00 0.00 178.15 175.63 1rre h GLU 764 N 0.31 0.46 -0.66 2.19 3.07 -1.97 -1.28 114.58 116.69 1rre h GLU 764 Ca 0.08 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1rre h GLU 764 Cb 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 1rre h GLU 764 CO -0.01 0.30 0.26 0.93 -1.40 0.00 0.00 179.01 179.09 1rre h GLU 765 N 0.47 0.98 -0.34 2.33 5.08 -1.78 -1.95 114.58 119.37 1rre h GLU 765 Ca 0.23 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1rre h GLU 765 Cb 0.16 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1rre h GLU 765 CO -0.18 0.80 0.16 0.28 -1.00 0.00 0.00 179.01 179.07 1rre h VAL 766 N 0.96 1.17 -0.28 3.13 2.07 -1.13 -1.91 116.25 120.26 1rre h VAL 766 Ca 0.22 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1rre h VAL 766 Cb 0.19 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rre h VAL 766 CO -0.02 0.18 -0.35 -0.07 0.02 0.00 0.00 177.57 177.33 1rre h LEU 767 N 0.41 0.65 -1.06 2.57 3.38 -0.95 0.12 115.31 120.43 1rre h LEU 767 Ca 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1rre h LEU 767 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1rre h LEU 767 CO -0.01 0.95 0.07 0.74 0.09 0.00 0.00 178.44 180.27 1rre h THR 768 N 0.52 1.22 0.00 0.22 2.02 -1.32 -2.47 112.91 113.10 1rre h THR 768 Ca 0.05 -0.84 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 1rre h THR 768 Cb 0.85 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1rre h THR 768 CO 0.07 0.30 -0.86 -0.07 0.37 0.00 0.00 175.52 175.34 1rre h LEU 769 N 0.71 0.00 0.00 2.58 -0.00 -0.49 -3.38 115.31 114.72 1rre h LEU 769 Ca 0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.69 1rre h LEU 769 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 1rre h LEU 769 CO 0.01 0.61 -2.35 0.00 -0.00 0.00 0.00 178.44 176.70 1rre n ALA 770 N -2.30 1.57 -2.93 1.53 0.00 -0.05 -4.93 120.51 113.41 1rre n ALA 770 Ca -0.02 -1.28 -0.23 0.00 0.00 0.00 0.00 53.44 51.91 1rre n ALA 770 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1rre n ALA 770 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rre s LEU 771 N -5.42 4.30 0.00 0.00 1.43 -0.94 -0.93 118.68 117.12 1rre s LEU 771 Ca -0.10 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 1rre s LEU 771 Cb 0.06 -2.93 -0.33 0.00 0.03 0.00 0.00 46.19 43.02 1rre s LEU 771 CO 0.82 -0.05 0.88 1.56 0.23 0.00 0.00 176.35 179.79 1rre h GLN 772 N 1.46 0.47 -6.18 1.70 4.20 -1.59 -3.45 115.11 111.73 1rre h GLN 772 Ca -0.51 -0.81 -0.69 0.00 0.06 0.00 0.00 58.65 56.71 1rre h GLN 772 Cb 1.22 0.30 -0.20 0.00 0.30 0.00 0.00 27.48 29.10 1rre h GLN 772 CO 0.64 1.38 -0.71 -0.80 -0.67 0.00 0.00 178.83 178.67 1rre s ASN 773 N -7.45 4.56 -0.29 1.46 -0.87 -1.26 -5.06 114.94 106.03 1rre s ASN 773 Ca -0.11 -0.05 -0.39 0.00 -1.57 0.00 0.00 52.86 50.74 1rre s ASN 773 Cb 0.05 -1.12 -0.14 0.00 -0.02 0.00 0.00 41.25 40.01 1rre s ASN 773 CO 0.91 0.36 1.87 -0.62 -2.57 0.00 0.00 177.10 177.05 1rre n GLU 774 N 2.21 1.19 0.00 -0.60 4.71 -1.26 -5.01 120.64 121.88 1rre n GLU 774 Ca -0.18 0.41 0.09 0.00 -0.01 0.00 0.00 57.16 57.47 1rre n GLU 774 Cb 0.53 -2.21 0.51 0.00 -1.01 0.00 0.00 31.44 29.26 1rre n GLU 774 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87