#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rre n VAL 595 N 0.00 -1.11 -2.55 0.00 0.31 -1.26 -5.08 118.33 108.64 1rre n VAL 595 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1rre n VAL 595 Cb 0.00 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 1rre n VAL 595 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rre s GLY 596 N 0.00 3.08 -0.21 2.92 0.00 0.14 -4.85 107.32 108.40 1rre s GLY 596 Ca 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 1rre s GLY 596 CO 0.00 1.42 0.37 1.62 0.00 0.00 0.00 173.10 176.52 1rre s GLN 597 N -1.37 0.31 0.02 2.90 0.74 -1.25 0.44 119.66 121.44 1rre s GLN 597 Ca 0.44 0.76 0.02 0.00 0.05 0.00 0.00 55.36 56.62 1rre s GLN 597 Cb -0.30 -0.11 -0.02 0.00 1.10 0.00 0.00 33.01 33.68 1rre s GLN 597 CO 0.39 -0.44 -0.07 0.08 -0.55 0.00 0.00 175.29 174.70 1rre s VAL 598 N 2.55 0.53 -0.36 1.34 1.01 -0.10 -4.68 120.40 120.69 1rre s VAL 598 Ca 0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1rre s VAL 598 Cb -0.14 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 1rre s VAL 598 CO -0.13 -0.16 0.50 -0.89 0.00 0.00 0.00 175.10 174.42 1rre s THR 599 N -0.84 5.03 0.35 3.92 2.01 -1.26 -0.29 115.64 124.56 1rre s THR 599 Ca -0.04 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.29 1rre s THR 599 Cb -0.07 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1rre s THR 599 CO 0.00 -0.23 0.32 -0.83 -0.69 0.00 0.00 174.62 173.19 1rre s GLY 600 N 1.77 1.84 -0.20 4.40 0.00 0.23 -4.31 107.32 111.06 1rre s GLY 600 Ca 0.18 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1rre s GLY 600 CO 0.13 -1.59 -0.18 1.08 0.00 0.00 0.00 173.10 172.54 1rre s LEU 601 N -4.03 2.39 0.32 0.66 1.43 -1.26 -0.61 118.68 117.58 1rre s LEU 601 Ca 0.43 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 1rre s LEU 601 Cb -0.05 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1rre s LEU 601 CO 0.27 -0.04 0.67 0.00 0.23 0.00 0.00 176.35 177.47 1rre s ALA 602 N 1.26 -0.65 0.11 4.21 0.00 -0.95 -4.33 121.76 121.42 1rre s ALA 602 Ca 0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1rre s ALA 602 Cb -0.15 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 1rre s ALA 602 CO -0.11 -0.96 1.07 -0.46 0.00 0.00 0.00 175.76 175.30 1rre s TRP 603 N -3.32 3.62 0.38 0.00 -0.00 -1.22 -1.88 118.94 116.52 1rre s TRP 603 Ca 0.17 1.60 0.05 0.00 -0.00 0.00 0.00 56.10 57.92 1rre s TRP 603 Cb -0.04 -3.23 -0.06 0.00 -0.00 0.00 0.00 33.47 30.14 1rre s TRP 603 CO 0.10 -0.47 0.04 0.95 -0.00 0.00 0.00 176.95 177.57 1rre s THR 604 N 0.24 1.46 0.33 5.86 -4.23 -0.42 -2.22 115.64 116.66 1rre s THR 604 Ca 0.51 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.13 1rre s THR 604 Cb -0.27 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.10 1rre s THR 604 CO 0.32 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.05 1rre h GLU 605 N 1.89 0.53 -0.60 3.99 4.81 -1.50 0.80 114.58 124.51 1rre h GLU 605 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1rre h GLU 605 Cb 1.25 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1rre h GLU 605 CO 0.74 0.35 0.00 1.33 -0.73 0.00 0.00 179.01 180.70 1rre n VAL 606 N -4.86 1.19 0.00 0.32 0.24 -1.26 -5.05 118.33 108.91 1rre n VAL 606 Ca 0.27 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1rre n VAL 606 Cb 0.78 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1rre n VAL 606 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rre n GLY 607 N 0.95 0.88 3.77 7.63 0.00 0.27 -5.03 105.19 113.67 1rre n GLY 607 Ca 0.18 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1rre n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rre s GLY 608 N 0.00 2.94 0.27 -0.02 0.00 -1.26 -1.30 107.32 107.94 1rre s GLY 608 Ca 0.00 1.55 -0.20 0.00 0.00 0.00 0.00 44.72 46.07 1rre s GLY 608 CO 0.00 2.21 0.68 -0.35 0.00 0.00 0.00 173.10 175.64 1rre s ASP 609 N -0.26 -0.25 0.17 1.64 2.15 -0.79 -4.64 116.67 114.70 1rre s ASP 609 Ca 0.56 -0.63 -0.31 0.00 0.43 0.00 0.00 52.55 52.60 1rre s ASP 609 Cb -0.46 0.70 -0.09 0.00 -0.30 0.00 0.00 42.92 42.78 1rre s ASP 609 CO 0.61 -1.30 1.38 -0.22 -0.17 0.00 0.00 175.17 175.47 1rre s LEU 610 N -2.93 4.39 -0.03 -1.34 2.96 -1.26 -2.23 118.68 118.25 1rre s LEU 610 Ca 0.12 2.41 0.03 0.00 -0.22 0.00 0.00 54.13 56.48 1rre s LEU 610 Cb -0.05 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1rre s LEU 610 CO 0.06 -0.62 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.59 1rre s LEU 611 N 0.47 1.89 -0.44 -0.68 1.02 0.23 -4.98 118.68 116.19 1rre s LEU 611 Ca 0.61 -0.25 -0.20 0.00 0.02 0.00 0.00 54.13 54.31 1rre s LEU 611 Cb -0.38 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.15 1rre s LEU 611 CO 0.35 0.12 0.63 0.42 0.02 0.00 0.00 176.35 177.89 1rre s THR 612 N -0.00 4.85 -0.19 5.49 -4.23 -1.26 -0.60 115.64 119.69 1rre s THR 612 Ca -0.01 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 1rre s THR 612 Cb -0.08 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 1rre s THR 612 CO 0.01 -0.58 0.37 -0.63 -0.54 0.00 0.00 174.62 173.24 1rre s ILE 613 N 2.77 5.23 -0.01 2.99 1.01 0.61 -3.92 121.20 129.87 1rre s ILE 613 Ca 0.22 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.56 1rre s ILE 613 Cb -0.14 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1rre s ILE 613 CO 0.19 0.28 -0.11 -1.61 0.00 0.00 0.00 174.94 173.69 1rre s GLU 614 N 1.13 2.48 0.00 2.79 2.02 -0.19 -0.92 118.70 126.02 1rre s GLU 614 Ca 0.18 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 1rre s GLU 614 Cb -0.14 -2.43 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 1rre s GLU 614 CO 0.07 0.61 -0.00 0.95 0.02 0.00 0.00 175.26 176.91 1rre s THR 615 N -0.89 0.02 0.03 3.63 -4.23 0.17 -0.97 115.64 113.41 1rre s THR 615 Ca 0.15 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1rre s THR 615 Cb -0.11 -0.07 -0.02 0.00 1.34 0.00 0.00 72.50 73.64 1rre s THR 615 CO 0.04 -0.11 -0.18 0.00 -0.54 0.00 0.00 174.62 173.83 1rre s ALA 616 N -0.33 1.54 -0.43 3.99 0.00 -0.17 0.28 121.76 126.65 1rre s ALA 616 Ca -0.04 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1rre s ALA 616 Cb -0.02 -0.30 0.21 0.00 0.00 0.00 0.00 23.12 23.00 1rre s ALA 616 CO -0.00 0.34 0.50 0.00 0.00 0.00 0.00 175.76 176.60 1rre s VAL 618 N -0.17 5.06 0.16 0.00 -7.23 -0.95 -4.85 120.40 112.43 1rre s VAL 618 Ca 0.33 -0.06 -0.32 0.00 -1.81 0.00 0.00 61.98 60.12 1rre s VAL 618 Cb 0.10 -3.74 -0.17 0.00 0.56 0.00 0.00 36.38 33.12 1rre s VAL 618 CO -0.16 -0.31 0.86 -2.65 -0.31 0.00 0.00 175.10 172.53 1rre n PRO 619 N -0.94 0.45 0.00 4.82 -0.02 -1.26 -1.51 135.00 136.54 1rre n PRO 619 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1rre n PRO 619 Cb 0.54 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.80 1.57 0.00 -1.23 0.00 -0.86 -4.46 105.19 102.01 1rre n GLY 620 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.66 0.00 1.61 4.76 -1.25 -3.57 118.16 120.36 1rre n LYS 621 Ca 0.00 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.75 1rre n LYS 621 Cb 0.00 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1rre n LYS 621 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rre n GLY 622 N -0.15 1.53 3.76 0.72 0.00 0.03 -4.66 105.19 106.42 1rre n GLY 622 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 4.50 -0.18 1.61 2.47 -1.24 -4.94 119.74 121.93 1rre s LYS 623 Ca 0.00 1.07 -0.02 0.00 -1.56 0.00 0.00 55.97 55.47 1rre s LYS 623 Cb 0.00 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.04 1rre s LYS 623 CO 0.00 0.39 -0.10 -1.17 0.16 0.00 0.00 175.35 174.63 1rre s LEU 624 N -0.44 2.68 -0.03 5.43 2.96 -1.26 -0.58 118.68 127.45 1rre s LEU 624 Ca 0.37 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1rre s LEU 624 Cb -0.21 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1rre s LEU 624 CO 0.24 0.05 -0.22 0.42 -1.32 0.00 0.00 176.35 175.52 1rre s THR 625 N 1.05 1.73 -0.03 3.68 -4.23 -0.10 -4.99 115.64 112.74 1rre s THR 625 Ca -0.00 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1rre s THR 625 Cb -0.15 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.27 1rre s THR 625 CO -0.02 0.49 0.01 -0.72 -0.54 0.00 0.00 174.62 173.84 1rre s TYR 626 N -0.38 0.31 0.29 3.99 -0.85 -1.26 -1.26 117.35 118.18 1rre s TYR 626 Ca 0.05 0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.64 1rre s TYR 626 Cb -0.10 -0.45 -0.06 0.00 0.38 0.00 0.00 41.96 41.74 1rre s TYR 626 CO 0.00 -0.15 0.08 0.95 -1.52 0.00 0.00 175.55 174.90 1rre s THR 627 N 1.25 0.85 0.00 -3.49 -4.23 -0.07 -4.96 115.64 104.99 1rre s THR 627 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1rre s THR 627 Cb -0.13 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1rre s THR 627 CO -0.02 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1rre n GLY 628 N -0.56 1.32 3.73 3.99 0.00 -1.26 -1.58 105.19 110.82 1rre n GLY 628 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.95 -4.65 1.61 7.64 -1.25 -4.58 113.62 110.45 1rre n SER 629 Ca 0.00 -0.80 -0.41 0.00 1.01 0.00 0.00 58.87 58.67 1rre n SER 629 Cb 0.00 -4.09 -0.05 0.00 -1.01 0.00 0.00 64.21 59.07 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 -6.79 4.10 1.09 -3.43 1.43 -1.26 -2.01 118.68 111.81 1rre s LEU 630 Ca 0.13 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 1rre s LEU 630 Cb -0.07 -3.08 0.24 0.00 0.03 0.00 0.00 46.19 43.31 1rre s LEU 630 CO 0.81 -0.44 1.06 -0.83 0.23 0.00 0.00 176.35 177.19 1rre s GLY 631 N 1.32 1.55 0.25 -3.19 0.00 0.03 -4.74 107.32 102.54 1rre s GLY 631 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.72 1rre s GLY 631 CO 0.09 0.38 1.74 0.83 0.00 0.00 0.00 173.10 176.13 1rre h GLU 632 N -2.29 0.82 -0.69 2.90 5.08 -1.97 -1.27 114.58 117.16 1rre h GLU 632 Ca -0.59 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1rre h GLU 632 Cb 1.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rre h GLU 632 CO 0.55 0.84 0.00 0.28 -1.00 0.00 0.00 179.01 179.67 1rre n VAL 633 N -4.20 0.07 0.00 3.13 0.31 -1.26 -0.69 118.33 115.69 1rre n VAL 633 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1rre n VAL 633 Cb 0.32 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 0.54 0.00 0.00 5.55 6.02 -0.48 -1.69 117.38 127.32 1rre n GLN 635 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1rre n GLN 635 Cb 0.07 0.00 0.24 0.00 1.02 0.00 0.00 30.24 31.57 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 0.52 -0.07 -1.09 5.08 -1.18 -2.56 114.58 115.27 1rre h GLU 636 Ca 0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1rre h GLU 636 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1rre h GLU 636 CO 0.00 0.64 -0.18 0.66 -1.00 0.00 0.00 179.01 179.13 1rre h SER 637 N 0.48 0.10 -0.15 1.42 4.64 -1.59 0.29 113.55 118.74 1rre h SER 637 Ca 0.09 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1rre h SER 637 Cb 0.51 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1rre h SER 637 CO 0.03 0.29 -0.46 0.40 -0.87 0.00 0.00 176.83 176.21 1rre h ILE 638 N 0.10 1.34 -0.35 0.95 2.04 -1.76 -0.36 117.51 119.47 1rre h ILE 638 Ca 0.02 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.20 1rre h ILE 638 Cb 0.37 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1rre h ILE 638 CO 0.03 0.53 0.08 1.56 0.00 0.00 0.00 178.15 180.35 1rre h GLN 639 N 0.23 0.20 -0.65 2.37 4.20 -1.11 -0.12 115.11 120.23 1rre h GLN 639 Ca -0.01 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1rre h GLN 639 Cb 1.09 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 1rre h GLN 639 CO 0.10 0.14 0.41 0.00 -0.67 0.00 0.00 178.83 178.80 1rre h ALA 640 N 1.25 0.85 -0.60 3.87 0.00 -0.90 -1.55 119.26 122.17 1rre h ALA 640 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rre h ALA 640 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1rre h ALA 640 CO -0.21 0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.51 1rre h ALA 641 N 1.28 0.78 -0.63 0.00 0.00 -0.58 -1.44 119.26 118.67 1rre h ALA 641 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1rre h ALA 641 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1rre h ALA 641 CO -0.10 0.34 0.25 1.25 0.00 0.00 0.00 179.25 181.00 1rre h LEU 642 N 0.82 0.86 -0.73 0.00 5.85 -0.81 -2.64 115.31 118.67 1rre h LEU 642 Ca 0.21 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1rre h LEU 642 Cb 0.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1rre h LEU 642 CO -0.03 0.79 0.47 0.74 -0.34 0.00 0.00 178.44 180.08 1rre h THR 643 N 0.88 1.20 -0.58 1.05 2.02 -0.91 0.47 112.91 117.04 1rre h THR 643 Ca 0.21 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 67.10 1rre h THR 643 Cb 0.20 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 1rre h THR 643 CO -0.02 0.20 0.17 0.58 0.37 0.00 0.00 175.52 176.82 1rre h VAL 644 N 1.00 0.71 -0.20 3.16 2.07 -1.01 0.20 116.25 122.18 1rre h VAL 644 Ca 0.27 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1rre h VAL 644 Cb -0.08 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1rre h VAL 644 CO -0.05 0.06 0.01 0.58 0.02 0.00 0.00 177.57 178.18 1rre h VAL 645 N 0.32 1.25 -0.71 2.57 2.07 -1.07 -1.31 116.25 119.37 1rre h VAL 645 Ca 0.30 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1rre h VAL 645 Cb 0.41 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1rre h VAL 645 CO -0.34 0.26 0.39 0.03 0.02 0.00 0.00 177.57 177.93 1rre h ARG 646 N 0.12 0.68 0.00 1.57 3.08 -0.33 -0.10 114.38 119.40 1rre h ARG 646 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1rre h ARG 646 Cb 0.38 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1rre h ARG 646 CO 0.01 0.45 -0.10 0.00 -1.07 0.00 0.00 179.97 179.26 1rre h ALA 647 N 1.38 0.98 -0.47 0.04 0.00 -0.29 -2.92 119.26 117.98 1rre h ALA 647 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rre h ALA 647 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rre h ALA 647 CO -0.21 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.70 1rre n ARG 648 N -3.19 2.59 -0.20 0.00 1.74 -0.52 -4.79 116.66 112.30 1rre n ARG 648 Ca 0.01 -2.26 -0.05 0.00 -0.77 0.00 0.00 57.85 54.78 1rre n ARG 648 Cb 0.42 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 3.29 -0.06 -0.41 7.54 0.00 -0.83 -0.39 119.26 128.40 1rre h ALA 649 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1rre h ALA 649 Cb 0.85 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1rre h ALA 649 CO 0.00 -0.68 -0.25 0.93 0.00 0.00 0.00 179.25 179.24 1rre h GLU 650 N -0.17 0.85 -0.24 0.00 4.39 -1.86 0.23 114.58 117.78 1rre h GLU 650 Ca 0.23 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1rre h GLU 650 Cb 0.55 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1rre h GLU 650 CO -0.67 1.01 0.00 -0.22 -1.16 0.00 0.00 179.01 177.96 1rre h LYS 651 N 0.73 0.36 -0.00 2.33 3.64 -1.71 -0.52 116.57 121.40 1rre h LYS 651 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rre h LYS 651 Cb 0.80 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1rre h LYS 651 CO 0.07 0.39 -0.05 1.28 -2.27 0.00 0.00 179.45 178.86 1rre n LEU 652 N -4.34 0.07 0.00 5.20 4.32 -0.23 -4.93 117.00 117.09 1rre n LEU 652 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1rre n LEU 652 Cb 0.20 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1rre n LEU 652 CO 0.37 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1rre n GLY 653 N 1.46 0.67 3.81 -0.72 0.00 -0.20 -5.01 105.19 105.19 1rre n GLY 653 Ca 0.08 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 5.07 -0.00 -0.61 1.01 -0.06 -4.98 121.20 119.62 1rre s ILE 654 Ca 0.00 0.84 -0.34 0.00 0.00 0.00 0.00 60.65 61.15 1rre s ILE 654 Cb 0.00 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1rre s ILE 654 CO 0.00 0.53 1.79 -3.20 0.00 0.00 0.00 174.94 174.06 1rre n ASN 655 N 2.19 3.37 0.00 3.58 5.15 -1.26 -3.71 115.26 124.58 1rre n ASN 655 Ca -0.13 1.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.91 1rre n ASN 655 Cb 0.52 -1.40 0.28 0.00 -0.53 0.00 0.00 39.78 38.66 1rre n ASN 655 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rre n PRO 656 N 5.65 0.20 -0.67 1.20 -0.04 -1.26 -1.94 135.00 138.14 1rre n PRO 656 Ca 0.21 0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.83 1rre n PRO 656 Cb 0.30 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.51 1rre n PRO 656 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rre n ASP 657 N -1.22 3.75 0.28 3.54 3.85 -1.26 -4.65 116.55 120.84 1rre n ASP 657 Ca 0.06 -3.26 0.14 0.00 -0.71 0.00 0.00 54.79 51.02 1rre n ASP 657 Cb 0.07 -0.62 0.80 0.00 -1.35 0.00 0.00 41.12 40.03 1rre n ASP 657 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 1rre h PHE 658 N 1.79 0.00 0.00 2.11 -5.15 -1.76 -2.10 116.94 111.83 1rre h PHE 658 Ca 0.12 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.89 1rre h PHE 658 Cb 1.71 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.88 1rre h PHE 658 CO 0.82 0.08 -0.02 -0.92 -2.00 0.00 0.00 178.31 176.27 1rre h TYR 659 N 0.00 0.00 0.00 6.09 -0.00 -1.85 -1.45 116.97 119.76 1rre h TYR 659 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 1rre h TYR 659 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.98 1rre h TYR 659 CO 0.00 0.02 -0.50 0.93 -0.00 0.00 0.00 178.16 178.61 1rre h GLU 660 N 0.00 0.00 0.00 1.82 5.08 -1.66 -3.16 114.58 116.67 1rre h GLU 660 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1rre h GLU 660 Cb 0.57 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1rre h GLU 660 CO 0.00 0.50 -0.37 1.63 -1.00 0.00 0.00 179.01 179.78 1rre n LYS 661 N -3.42 0.97 -4.07 2.33 5.02 -0.94 -3.88 118.16 114.16 1rre n LYS 661 Ca 0.01 -2.43 -0.14 0.00 -2.02 0.00 0.00 58.31 53.73 1rre n LYS 661 Cb 0.64 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.08 0.36 -0.08 1.97 1.81 -0.59 -2.02 118.95 118.32 1rre s ARG 662 Ca 0.28 -0.31 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1rre s ARG 662 Cb 0.27 -0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.46 1rre s ARG 662 CO -0.03 0.07 0.03 -0.51 -0.68 0.00 0.00 175.30 174.18 1rre s ASP 663 N -0.53 5.48 -0.10 0.23 1.01 -0.57 -0.79 116.67 121.40 1rre s ASP 663 Ca -0.02 0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1rre s ASP 663 Cb -0.04 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1rre s ASP 663 CO -0.00 0.37 -0.19 -0.63 0.21 0.00 0.00 175.17 174.93 1rre s ILE 664 N -0.95 1.72 -0.22 0.77 -1.09 0.25 -2.23 121.20 119.44 1rre s ILE 664 Ca 0.15 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 1rre s ILE 664 Cb -0.12 -1.52 0.05 0.00 -1.58 0.00 0.00 42.46 39.29 1rre s ILE 664 CO 0.04 0.48 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.85 1rre s HIS 665 N 0.61 2.75 -0.24 3.97 2.46 -0.55 -0.92 115.29 123.36 1rre s HIS 665 Ca -0.14 -1.88 -0.13 0.00 0.47 0.00 0.00 55.06 53.38 1rre s HIS 665 Cb -0.17 -1.76 -0.04 0.00 -0.13 0.00 0.00 32.58 30.48 1rre s HIS 665 CO 0.04 -0.80 0.27 0.08 -2.47 0.00 0.00 174.74 171.86 1rre s VAL 666 N 1.28 5.27 -0.03 0.89 1.01 -0.39 -1.00 120.40 127.44 1rre s VAL 666 Ca -0.04 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1rre s VAL 666 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1rre s VAL 666 CO -0.07 0.27 -0.11 -2.28 0.00 0.00 0.00 175.10 172.91 1rre s HIS 667 N 1.44 1.09 -0.42 5.22 5.04 -0.14 -0.89 115.29 126.63 1rre s HIS 667 Ca 0.12 -0.28 0.02 0.00 -1.54 0.00 0.00 55.06 53.38 1rre s HIS 667 Cb -0.15 -0.76 0.12 0.00 0.04 0.00 0.00 32.58 31.83 1rre s HIS 667 CO 0.08 -0.11 0.20 0.08 -2.34 0.00 0.00 174.74 172.65 1rre s VAL 668 N 0.13 1.64 0.84 0.89 1.01 -0.62 -1.02 120.40 123.28 1rre s VAL 668 Ca -0.03 -2.48 -0.10 0.00 0.00 0.00 0.00 61.98 59.37 1rre s VAL 668 Cb -0.09 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.23 1rre s VAL 668 CO 0.01 -0.80 1.12 -2.84 0.00 0.00 0.00 175.10 172.58 1rre s PRO 669 N 0.51 1.63 0.26 2.72 0.02 -1.25 -4.45 135.00 134.44 1rre s PRO 669 Ca 0.15 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 1rre s PRO 669 Cb -0.23 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1rre s PRO 669 CO -0.05 -2.14 0.99 -1.21 -0.33 0.00 0.00 177.00 174.26 1rre s GLU 670 N -4.78 4.77 0.43 5.54 0.41 -1.26 -4.43 118.70 119.38 1rre s GLU 670 Ca 0.64 1.57 0.14 0.00 -0.41 0.00 0.00 54.97 56.91 1rre s GLU 670 Cb -0.20 -3.22 1.02 0.00 -1.78 0.00 0.00 34.13 29.95 1rre s GLU 670 CO 0.57 0.41 1.97 0.78 -0.49 0.00 0.00 175.26 178.50 1rre h GLY 671 N 3.98 0.62 0.91 -1.39 0.00 -1.89 -2.17 103.07 103.14 1rre h GLY 671 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1rre h GLY 671 CO 0.67 0.10 -0.27 0.00 0.00 0.00 0.00 176.54 177.05 1rre n ALA 672 N -2.51 3.06 -2.55 3.60 0.00 -1.26 -3.75 120.51 117.09 1rre n ALA 672 Ca 0.10 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 1rre n ALA 672 Cb 0.38 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.74 5.05 0.43 0.00 2.01 -0.82 -5.01 115.64 114.57 1rre s THR 673 Ca 0.19 0.26 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 1rre s THR 673 Cb 0.19 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1rre s THR 673 CO 0.57 -0.20 1.44 -2.65 -0.69 0.00 0.00 174.62 173.10 1rre n PRO 674 N 5.66 2.34 -3.95 4.92 -0.02 -1.26 -4.67 135.00 138.03 1rre n PRO 674 Ca -0.06 0.83 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1rre n PRO 674 Cb 0.49 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 1rre n PRO 674 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rre s LYS 675 N -2.37 0.60 -0.06 -0.52 1.02 -0.85 -1.21 119.74 116.35 1rre s LYS 675 Ca 0.59 -0.82 -0.32 0.00 0.02 0.00 0.00 55.97 55.45 1rre s LYS 675 Cb -0.46 0.23 0.13 0.00 -0.52 0.00 0.00 37.83 37.22 1rre s LYS 675 CO 0.59 -0.15 1.37 0.34 -0.92 0.00 0.00 175.35 176.58 1rre s ASP 676 N -2.24 -0.03 0.00 2.83 2.15 -0.94 -0.79 116.67 117.65 1rre s ASP 676 Ca -0.03 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1rre s ASP 676 Cb -0.00 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1rre s ASP 676 CO -0.06 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1rre n GLY 677 N -0.52 -0.21 0.72 2.66 0.00 -1.26 -3.45 105.19 103.13 1rre n GLY 677 Ca -0.09 -1.79 0.12 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 -0.16 1.96 0.03 1.61 -0.04 -1.26 -4.59 135.00 132.55 1rre n PRO 678 Ca 0.00 -1.43 0.13 0.00 -0.04 0.00 0.00 63.50 62.16 1rre n PRO 678 Cb 0.00 -1.45 0.54 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.68 2.24 1.50 0.55 0.00 -1.26 -2.19 120.51 122.02 1rre n ALA 679 Ca 0.17 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1rre n ALA 679 Cb 0.43 -1.45 0.45 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.57 2.55 -0.09 0.00 0.00 -1.26 -0.57 120.51 119.57 1rre n ALA 680 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1rre n ALA 680 Cb 0.34 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 5.13 0.15 1.80 0.00 0.00 -1.18 -2.28 103.07 106.69 1rre h GLY 681 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 1rre h GLY 681 CO 0.00 -0.16 -0.34 0.16 0.00 0.00 0.00 176.54 176.20 1rre h ILE 682 N -0.07 1.28 0.00 2.60 3.07 -1.64 -1.29 117.51 121.46 1rre h ILE 682 Ca 0.16 -1.35 0.00 0.00 1.55 0.00 0.00 64.86 65.23 1rre h ILE 682 Cb 0.32 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1rre h ILE 682 CO -0.37 0.40 0.00 0.00 -1.05 0.00 0.00 178.15 177.13 1rre n ALA 683 N -2.48 1.62 0.00 0.16 0.00 -0.86 -1.26 120.51 117.69 1rre n ALA 683 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rre n ALA 683 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.24 -0.56 0.00 2.02 -1.45 -0.74 112.91 113.42 1rre h THR 686 Ca 0.00 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1rre h THR 686 Cb 0.00 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1rre h THR 686 CO 0.00 0.30 0.30 0.00 0.37 0.00 0.00 175.52 176.49 1rre h ALA 687 N 1.13 0.72 -0.56 6.16 0.00 -1.23 -1.13 119.26 124.35 1rre h ALA 687 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1rre h ALA 687 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rre h ALA 687 CO -0.02 0.25 0.18 -0.07 0.00 0.00 0.00 179.25 179.59 1rre h LEU 688 N 0.76 0.81 -0.40 0.00 3.38 -1.69 -0.98 115.31 117.18 1rre h LEU 688 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rre h LEU 688 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rre h LEU 688 CO -0.03 0.80 0.22 0.58 0.09 0.00 0.00 178.44 180.10 1rre h VAL 689 N 0.77 1.15 -0.25 1.22 2.07 -1.00 -0.37 116.25 119.84 1rre h VAL 689 Ca 0.18 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rre h VAL 689 Cb 0.28 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1rre h VAL 689 CO -0.01 0.15 0.14 -1.28 0.02 0.00 0.00 177.57 176.60 1rre h SER 690 N 0.52 0.32 -0.35 0.57 0.87 -0.96 0.33 113.55 114.84 1rre h SER 690 Ca 0.14 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1rre h SER 690 Cb 0.05 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1rre h SER 690 CO -0.02 0.31 0.04 0.00 -0.53 0.00 0.00 176.83 176.62 1rre h LEU 692 N 0.42 0.00 -0.32 0.00 3.38 -0.70 -3.21 115.31 114.89 1rre h LEU 692 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rre h LEU 692 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1rre h LEU 692 CO 0.01 0.00 -0.42 0.35 0.09 0.00 0.00 178.44 178.47 1rre n THR 693 N -2.99 0.00 -1.27 0.22 -2.24 0.07 -4.97 114.28 103.10 1rre n THR 693 Ca 0.03 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1rre n THR 693 Cb 0.42 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.15 1.01 3.54 3.38 0.00 0.35 -4.97 105.19 109.65 1rre n GLY 694 Ca 0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.51 6.39 0.63 1.61 3.04 -1.14 -5.03 114.94 117.93 1rre s ASN 695 Ca 0.00 -0.18 -0.18 0.00 0.04 0.00 0.00 52.86 52.54 1rre s ASN 695 Cb 0.00 -2.45 -0.02 0.00 -1.54 0.00 0.00 41.25 37.24 1rre s ASN 695 CO 0.00 -1.21 1.21 -2.16 -3.04 0.00 0.00 177.10 171.90 1rre s PRO 696 N 4.00 2.77 0.28 0.43 0.04 -1.26 -4.44 135.00 136.83 1rre s PRO 696 Ca 0.33 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 1rre s PRO 696 Cb -0.11 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1rre s PRO 696 CO 0.22 -1.36 0.76 0.08 0.04 0.00 0.00 177.00 176.74 1rre s VAL 697 N -1.69 4.58 0.49 -0.36 1.01 -1.26 -0.52 120.40 122.65 1rre s VAL 697 Ca 0.77 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 1rre s VAL 697 Cb -0.30 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1rre s VAL 697 CO 0.36 0.01 1.21 -0.13 0.00 0.00 0.00 175.10 176.55 1rre s ARG 698 N -2.48 3.56 0.41 2.72 0.52 0.17 -4.75 118.95 119.11 1rre s ARG 698 Ca 0.49 1.89 -0.26 0.00 -0.52 0.00 0.00 55.73 57.33 1rre s ARG 698 Cb -0.14 -2.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.91 1rre s ARG 698 CO 0.19 -0.74 1.29 0.00 0.02 0.00 0.00 175.30 176.06 1rre s ALA 699 N -1.49 3.22 -1.59 2.13 0.00 -1.26 -3.93 121.76 118.84 1rre s ALA 699 Ca 0.66 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1rre s ALA 699 Cb -0.31 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1rre s ALA 699 CO 0.38 -0.82 0.00 -0.25 0.00 0.00 0.00 175.76 175.06 1rre n ASP 700 N 0.05 -5.21 -4.41 0.00 8.00 -1.26 -4.96 116.55 108.75 1rre n ASP 700 Ca 0.04 0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 1rre n ASP 700 Cb 0.44 -4.29 -0.14 0.00 -0.02 0.00 0.00 41.12 37.11 1rre n ASP 700 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rre s VAL 701 N -2.86 2.96 0.10 2.53 1.01 -1.25 -1.71 120.40 121.17 1rre s VAL 701 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1rre s VAL 701 Cb 0.00 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1rre s VAL 701 CO 0.00 0.56 0.02 0.00 0.00 0.00 0.00 175.10 175.68 1rre n ALA 702 N 2.88 0.11 -3.65 5.51 0.00 -0.04 -4.29 120.51 121.03 1rre n ALA 702 Ca -0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 52.75 1rre n ALA 702 Cb 0.52 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.67 0.00 0.00 0.00 -1.32 -0.66 -0.98 115.64 111.01 1rre s THR 704 Ca 0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 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 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1rre n GLY 705 N 1.73 4.09 3.71 6.08 0.00 0.26 -3.65 105.19 117.41 1rre n GLY 705 Ca -0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.86 4.54 0.18 1.61 2.12 -1.09 -1.94 118.70 122.26 1rre s GLU 706 Ca 0.00 1.45 -0.02 0.00 0.36 0.00 0.00 54.97 56.76 1rre s GLU 706 Cb 0.00 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1rre s GLU 706 CO 0.00 -0.08 0.39 -1.50 -0.54 0.00 0.00 175.26 173.53 1rre s ILE 707 N 1.04 5.19 0.24 -3.70 2.07 -1.26 -1.10 121.20 123.67 1rre s ILE 707 Ca 0.53 -0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.65 1rre s ILE 707 Cb -0.22 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 38.63 1rre s ILE 707 CO 0.28 -0.09 -0.12 0.42 -1.91 0.00 0.00 174.94 173.51 1rre s THR 708 N -1.79 1.81 0.36 4.00 -4.23 -1.08 -4.93 115.64 109.78 1rre s THR 708 Ca 0.40 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1rre s THR 708 Cb -0.11 -2.23 0.17 0.00 1.34 0.00 0.00 72.50 71.67 1rre s THR 708 CO 0.28 -0.46 1.91 -0.07 -0.54 0.00 0.00 174.62 175.74 1rre h LEU 709 N 2.41 0.42 0.00 4.79 3.38 -1.90 -1.53 115.31 122.88 1rre h LEU 709 Ca -0.39 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1rre h LEU 709 Cb 1.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1rre h LEU 709 CO 0.64 0.48 0.00 -2.11 0.09 0.00 0.00 178.44 177.54 1rre n ARG 710 N -4.31 0.13 -0.51 1.13 1.85 -1.26 -4.70 116.66 108.99 1rre n ARG 710 Ca 0.01 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1rre n ARG 710 Cb 0.22 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.34 0.75 3.77 2.89 0.00 -0.58 -4.98 105.19 107.38 1rre n GLY 711 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 4.40 -0.24 1.61 0.74 -1.26 -0.28 119.66 124.14 1rre s GLN 712 Ca 0.00 1.82 -0.09 0.00 0.05 0.00 0.00 55.36 57.14 1rre s GLN 712 Cb 0.00 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1rre s GLN 712 CO 0.00 -0.01 0.12 0.08 -0.55 0.00 0.00 175.29 174.93 1rre s VAL 713 N -1.29 4.96 0.11 1.34 1.01 -0.00 -2.63 120.40 123.89 1rre s VAL 713 Ca 0.50 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1rre s VAL 713 Cb -0.31 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1rre s VAL 713 CO 0.40 0.35 0.22 -0.76 0.00 0.00 0.00 175.10 175.30 1rre s LEU 714 N 1.19 4.23 0.65 3.92 1.43 -0.26 -4.64 118.68 125.20 1rre s LEU 714 Ca 0.06 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 1rre s LEU 714 Cb -0.14 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.25 1rre s LEU 714 CO 0.05 0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.71 1rre s PRO 715 N -2.84 2.77 0.34 1.29 0.04 -1.26 -2.69 135.00 132.66 1rre s PRO 715 Ca 0.34 1.48 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1rre s PRO 715 Cb -0.12 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1rre s PRO 715 CO 0.27 -1.29 -0.09 0.96 0.04 0.00 0.00 177.00 176.89 1rre s ILE 716 N -2.20 2.29 0.64 0.56 -5.25 -1.26 -4.77 121.20 111.20 1rre s ILE 716 Ca 0.69 -2.20 -0.04 0.00 -0.99 0.00 0.00 60.65 58.11 1rre s ILE 716 Cb -0.22 -2.64 0.04 0.00 2.95 0.00 0.00 42.46 42.59 1rre s ILE 716 CO 0.40 -0.21 0.93 -0.83 -1.79 0.00 0.00 174.94 173.44 1rre s GLY 717 N -3.61 1.71 -1.35 6.27 0.00 -1.26 -4.62 107.32 104.45 1rre s GLY 717 Ca 0.33 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 1rre s GLY 717 CO 0.17 -0.65 0.59 0.61 0.00 0.00 0.00 173.10 173.82 1rre n GLY 718 N -2.70 -0.37 0.35 0.20 0.00 -1.26 -4.90 105.19 96.50 1rre n GLY 718 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.35 0.83 -0.16 0.99 5.85 -1.97 -2.79 115.31 116.70 1rre h LEU 719 Ca -0.47 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.24 1rre h LEU 719 Cb 1.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1rre h LEU 719 CO 0.50 0.60 0.09 0.50 -0.34 0.00 0.00 178.44 179.78 1rre h LYS 720 N 0.98 0.18 -0.83 1.25 3.64 -1.90 0.14 116.57 120.03 1rre h LYS 720 Ca 0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1rre h LYS 720 Cb -0.09 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 1rre h LYS 720 CO -0.06 0.12 0.53 1.49 -2.27 0.00 0.00 179.45 179.26 1rre h GLU 721 N 0.19 1.01 -0.11 1.90 4.81 -1.91 -0.13 114.58 120.34 1rre h GLU 721 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rre h GLU 721 Cb 0.00 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1rre h GLU 721 CO -0.04 0.67 0.02 0.87 -0.73 0.00 0.00 179.01 179.80 1rre h LYS 722 N 1.04 0.17 -0.59 1.92 1.57 -1.18 -1.41 116.57 118.09 1rre h LYS 722 Ca 0.33 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1rre h LYS 722 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1rre h LYS 722 CO -0.11 0.36 0.13 -0.07 -0.57 0.00 0.00 179.45 179.18 1rre h LEU 723 N -0.04 0.88 -0.69 2.94 3.38 -0.64 -0.48 115.31 120.67 1rre h LEU 723 Ca 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1rre h LEU 723 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1rre h LEU 723 CO 0.00 0.87 0.33 -0.07 0.09 0.00 0.00 178.44 179.66 1rre h LEU 724 N 0.89 0.90 -0.69 1.67 -0.00 -0.94 -0.55 115.31 116.60 1rre h LEU 724 Ca 0.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1rre h LEU 724 Cb 0.35 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 1rre h LEU 724 CO 0.00 0.79 0.38 0.00 -0.00 0.00 0.00 178.44 179.61 1rre h ALA 725 N 1.15 0.88 -0.39 1.53 0.00 -0.56 -0.51 119.26 121.36 1rre h ALA 725 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rre h ALA 725 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rre h ALA 725 CO -0.03 0.39 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1rre h ALA 726 N 1.19 0.50 -0.41 0.00 0.00 -0.82 -1.37 119.26 118.37 1rre h ALA 726 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1rre h ALA 726 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1rre h ALA 726 CO -0.04 0.03 0.07 1.25 0.00 0.00 0.00 179.25 180.56 1rre h HIS 727 N 0.51 0.71 -0.39 0.00 6.17 -0.71 -1.83 115.15 119.59 1rre h HIS 727 Ca 0.14 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 1rre h HIS 727 Cb 0.05 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 1rre h HIS 727 CO -0.03 0.69 0.17 0.00 0.71 0.00 0.00 177.93 179.47 1rre h ARG 728 N 0.52 0.55 -0.03 5.26 3.08 -0.98 -1.46 114.38 121.32 1rre h ARG 728 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1rre h ARG 728 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1rre h ARG 728 CO 0.01 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 1rre n GLY 729 N -1.23 -0.71 2.27 0.04 0.00 -0.53 -4.91 105.19 100.13 1rre n GLY 729 Ca 0.03 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.93 0.57 3.76 -0.02 0.00 -0.55 -4.99 105.19 104.88 1rre n GLY 730 Ca 0.17 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.50 3.49 -0.15 -0.61 -1.09 -0.75 -4.97 121.20 114.61 1rre s ILE 731 Ca 0.00 1.50 0.08 0.00 -2.23 0.00 0.00 60.65 60.00 1rre s ILE 731 Cb 0.00 -3.95 -0.23 0.00 -1.58 0.00 0.00 42.46 36.70 1rre s ILE 731 CO 0.00 0.36 0.26 2.29 -1.23 0.00 0.00 174.94 176.61 1rre n LYS 732 N 1.20 0.68 -4.41 2.79 2.85 -0.82 -4.66 118.16 115.78 1rre n LYS 732 Ca -0.01 0.17 -0.24 0.00 -1.05 0.00 0.00 58.31 57.18 1rre n LYS 732 Cb 0.45 -1.64 -0.17 0.00 -0.65 0.00 0.00 35.03 33.02 1rre n LYS 732 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rre s THR 733 N -2.54 1.01 -0.11 0.58 2.01 -0.69 -0.67 115.64 115.22 1rre s THR 733 Ca -0.16 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1rre s THR 733 Cb 0.07 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1rre s THR 733 CO 0.77 0.33 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.16 1rre s VAL 734 N 0.85 1.75 -0.18 3.82 1.01 -0.45 -0.87 120.40 126.34 1rre s VAL 734 Ca -0.11 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 1rre s VAL 734 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1rre s VAL 734 CO 0.01 0.49 0.45 -0.76 0.00 0.00 0.00 175.10 175.30 1rre s LEU 735 N 0.73 4.18 0.28 3.92 1.43 -0.15 -0.94 118.68 128.13 1rre s LEU 735 Ca -0.11 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 53.72 1rre s LEU 735 Cb -0.16 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1rre s LEU 735 CO 0.02 -0.09 -0.14 0.27 0.23 0.00 0.00 176.35 176.63 1rre s ILE 736 N 1.27 2.14 0.45 -0.59 -4.36 -0.84 -1.65 121.20 117.62 1rre s ILE 736 Ca 0.22 -2.28 -0.24 0.00 -0.26 0.00 0.00 60.65 58.09 1rre s ILE 736 Cb -0.15 -2.36 -0.08 0.00 1.25 0.00 0.00 42.46 41.12 1rre s ILE 736 CO 0.09 -0.37 1.32 -2.84 0.24 0.00 0.00 174.94 173.37 1rre s PRO 737 N -3.60 3.70 0.26 0.37 0.02 -1.24 -0.19 135.00 134.33 1rre s PRO 737 Ca 0.29 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 1rre s PRO 737 Cb -0.01 -2.57 0.54 0.00 0.02 0.00 0.00 34.50 32.48 1rre s PRO 737 CO 0.13 -0.72 1.75 0.35 -0.33 0.00 0.00 177.00 178.18 1rre h PHE 738 N 2.24 0.69 0.00 6.54 3.57 -1.14 0.98 116.94 129.82 1rre h PHE 738 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1rre h PHE 738 Cb 1.26 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1rre h PHE 738 CO 0.51 0.12 0.00 0.39 -2.23 0.00 0.00 178.31 177.10 1rre n GLU 739 N -4.92 0.90 -0.21 1.11 1.02 -1.26 -2.45 120.64 114.83 1rre n GLU 739 Ca 0.17 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1rre n GLU 739 Cb 0.46 -1.12 0.25 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.62 3.33 -0.17 1.62 4.13 0.34 -4.44 115.26 119.45 1rre n ASN 740 Ca 0.05 -1.97 0.08 0.00 1.68 0.00 0.00 54.58 54.42 1rre n ASN 740 Cb 0.02 -0.27 0.38 0.00 -1.54 0.00 0.00 39.78 38.37 1rre n ASN 740 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1rre h LYS 741 N 4.19 0.67 -0.37 3.52 1.57 -1.60 -1.59 116.57 122.96 1rre h LYS 741 Ca 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rre h LYS 741 Cb 0.93 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1rre h LYS 741 CO 0.00 0.44 0.25 0.00 -0.57 0.00 0.00 179.45 179.57 1rre h ARG 742 N 0.69 0.46 0.00 3.15 3.08 -1.85 -1.88 114.38 118.03 1rre h ARG 742 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1rre h ARG 742 Cb 0.34 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1rre h ARG 742 CO -0.11 0.30 0.00 -0.25 -1.07 0.00 0.00 179.97 178.84 1rre n ASP 743 N -4.48 0.07 0.20 7.04 8.00 -0.60 -3.48 116.55 123.29 1rre n ASP 743 Ca 0.03 0.51 0.04 0.00 0.71 0.00 0.00 54.79 56.08 1rre n ASP 743 Cb 0.09 -0.53 0.41 0.00 -0.02 0.00 0.00 41.12 41.07 1rre n ASP 743 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rre h LEU 744 N 0.00 0.00 -1.49 0.64 3.38 -1.40 -3.21 115.31 113.23 1rre h LEU 744 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1rre h LEU 744 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1rre h LEU 744 CO 0.00 0.33 0.49 -0.33 0.09 0.00 0.00 178.44 179.02 1rre h GLU 745 N 0.00 0.52 -0.01 1.13 5.08 -1.74 -2.52 114.58 117.04 1rre h GLU 745 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rre h GLU 745 Cb 0.61 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1rre h GLU 745 CO 0.04 0.35 -0.45 0.39 -1.00 0.00 0.00 179.01 178.34 1rre n GLU 746 N -4.49 0.80 -2.35 2.33 1.02 -1.21 -4.88 120.64 111.85 1rre n GLU 746 Ca 0.13 -0.58 -0.41 0.00 -0.02 0.00 0.00 57.16 56.28 1rre n GLU 746 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1rre n GLU 746 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rre s ILE 747 N -2.60 3.48 0.23 -3.67 -1.09 -0.95 -4.96 121.20 111.64 1rre s ILE 747 Ca 0.19 1.26 -0.30 0.00 -2.23 0.00 0.00 60.65 59.57 1rre s ILE 747 Cb 0.18 -3.81 -0.15 0.00 -1.58 0.00 0.00 42.46 37.11 1rre s ILE 747 CO 0.60 0.21 1.09 -2.65 -1.23 0.00 0.00 174.94 172.96 1rre n PRO 748 N 2.38 1.27 -0.34 2.79 -0.02 -1.26 -4.78 135.00 135.03 1rre n PRO 748 Ca 0.04 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1rre n PRO 748 Cb 0.44 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.18 1rre n PRO 748 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rre h ASP 749 N 2.76 0.96 -0.09 2.55 3.45 -1.95 -2.01 116.42 122.09 1rre h ASP 749 Ca -0.41 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.00 1rre h ASP 749 Cb 1.34 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1rre h ASP 749 CO 0.66 0.63 -0.10 -0.55 -1.57 0.00 0.00 179.24 178.31 1rre h ASN 750 N 1.11 0.37 0.00 6.45 -0.00 -1.99 -1.58 115.58 119.94 1rre h ASN 750 Ca 0.40 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.62 1rre h ASN 750 Cb 0.12 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1rre h ASN 750 CO -0.16 0.51 -0.00 0.58 -0.00 0.00 0.00 177.43 178.36 1rre h VAL 751 N 0.37 1.29 -0.79 6.14 2.07 -1.74 -0.91 116.25 122.68 1rre h VAL 751 Ca 0.07 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 66.81 1rre h VAL 751 Cb 0.40 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 1rre h VAL 751 CO 0.02 0.23 0.43 0.40 0.02 0.00 0.00 177.57 178.67 1rre h ILE 752 N -0.38 0.87 -0.19 4.57 1.08 -1.30 -2.20 117.51 119.96 1rre h ILE 752 Ca -0.00 -0.24 -0.11 0.00 -0.39 0.00 0.00 64.86 64.11 1rre h ILE 752 Cb 0.38 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1rre h ILE 752 CO 0.00 0.13 -0.37 0.00 -0.69 0.00 0.00 178.15 177.22 1rre h ALA 753 N 1.46 1.01 0.00 1.87 0.00 -1.10 -3.23 119.26 119.26 1rre h ALA 753 Ca 0.39 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rre h ALA 753 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1rre h ALA 753 CO -0.26 0.60 -0.38 -0.44 0.00 0.00 0.00 179.25 178.77 1rre h ASP 754 N 0.36 0.00 -3.15 0.00 3.45 -0.69 -3.45 116.42 112.93 1rre h ASP 754 Ca 0.04 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.82 1rre h ASP 754 Cb 0.82 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.46 1rre h ASP 754 CO 0.07 0.38 -0.59 -0.76 -1.57 0.00 0.00 179.24 176.77 1rre s LEU 755 N -6.42 3.79 -0.57 1.55 1.43 -0.87 -4.90 118.68 112.68 1rre s LEU 755 Ca 0.04 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1rre s LEU 755 Cb 0.07 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1rre s LEU 755 CO 0.72 0.37 0.75 -0.62 0.23 0.00 0.00 176.35 177.80 1rre s ASP 756 N -1.06 6.21 -0.23 2.29 2.15 0.16 -4.86 116.67 121.33 1rre s ASP 756 Ca 0.15 -1.04 -0.08 0.00 0.43 0.00 0.00 52.55 52.01 1rre s ASP 756 Cb -0.12 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.13 1rre s ASP 756 CO 0.04 -1.11 0.09 -0.63 -0.17 0.00 0.00 175.17 173.40 1rre s ILE 757 N 3.06 4.75 -0.27 4.11 1.01 -1.26 -1.34 121.20 131.26 1rre s ILE 757 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1rre s ILE 757 Cb -0.20 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.15 1rre s ILE 757 CO 0.10 0.37 -0.04 -1.00 0.00 0.00 0.00 174.94 174.38 1rre s HIS 758 N 1.09 3.01 0.08 3.97 3.76 -0.11 -4.99 115.29 122.10 1rre s HIS 758 Ca 0.05 -2.27 -0.31 0.00 -0.15 0.00 0.00 55.06 52.39 1rre s HIS 758 Cb -0.14 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 1rre s HIS 758 CO 0.04 -0.86 1.21 -2.14 -0.85 0.00 0.00 174.74 172.13 1rre s PRO 759 N 1.18 4.44 0.02 8.40 0.02 -1.26 -1.99 135.00 145.80 1rre s PRO 759 Ca -0.02 1.79 0.07 0.00 0.02 0.00 0.00 61.00 62.86 1rre s PRO 759 Cb -0.19 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 1rre s PRO 759 CO -0.07 -0.24 -0.21 0.14 -0.33 0.00 0.00 177.00 176.29 1rre s VAL 760 N 0.93 1.66 -0.14 3.83 -7.23 0.74 -4.76 120.40 115.43 1rre s VAL 760 Ca 0.58 -1.06 0.11 0.00 -1.81 0.00 0.00 61.98 59.80 1rre s VAL 760 Cb -0.30 -1.41 -0.23 0.00 0.56 0.00 0.00 36.38 34.99 1rre s VAL 760 CO 0.30 0.32 0.30 0.29 -0.31 0.00 0.00 175.10 176.00 1rre n LYS 761 N 2.17 0.67 -4.00 4.82 5.02 -1.26 -0.63 118.16 124.95 1rre n LYS 761 Ca -0.16 0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1rre n LYS 761 Cb 0.53 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.54 0.33 0.52 1.97 0.52 -1.26 -0.82 118.95 117.67 1rre s ARG 762 Ca -0.12 -0.56 0.21 0.00 -0.52 0.00 0.00 55.73 54.74 1rre s ARG 762 Cb 0.07 -0.03 1.33 0.00 0.52 0.00 0.00 34.95 36.84 1rre s ARG 762 CO 0.79 -0.01 2.06 0.97 0.02 0.00 0.00 175.30 179.13 1rre h ILE 763 N 4.69 0.85 -0.63 1.52 6.09 -0.98 -2.50 117.51 126.55 1rre h ILE 763 Ca -0.32 -0.01 0.02 0.00 -1.37 0.00 0.00 64.86 63.18 1rre h ILE 763 Cb 1.21 0.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.30 1rre h ILE 763 CO 0.42 0.00 0.42 1.05 -3.07 0.00 0.00 178.15 176.97 1rre h GLU 764 N 0.02 0.79 -0.19 2.19 9.09 -1.97 -1.46 114.58 123.04 1rre h GLU 764 Ca 0.15 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.47 1rre h GLU 764 Cb 0.57 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 1rre h GLU 764 CO -0.00 0.52 -0.02 0.93 0.05 0.00 0.00 179.01 180.48 1rre h GLU 765 N 0.81 0.36 -0.66 1.06 5.08 -1.87 -1.78 114.58 117.59 1rre h GLU 765 Ca 0.24 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 1rre h GLU 765 Cb -0.04 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.10 1rre h GLU 765 CO -0.06 0.59 0.19 0.28 -1.00 0.00 0.00 179.01 179.01 1rre h VAL 766 N 0.10 0.64 -0.17 3.13 2.07 -1.29 -1.31 116.25 119.41 1rre h VAL 766 Ca 0.05 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 1rre h VAL 766 Cb 0.44 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rre h VAL 766 CO 0.01 0.06 -0.59 -0.07 0.02 0.00 0.00 177.57 177.00 1rre h LEU 767 N 0.33 0.64 -0.46 2.57 3.38 -1.10 0.72 115.31 121.39 1rre h LEU 767 Ca 0.35 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1rre h LEU 767 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rre h LEU 767 CO -0.41 1.08 -0.18 0.74 0.09 0.00 0.00 178.44 179.77 1rre h THR 768 N 0.42 1.27 0.01 0.22 2.02 -1.11 -2.18 112.91 113.56 1rre h THR 768 Ca -0.00 -1.32 -0.19 0.00 0.77 0.00 0.00 66.41 65.67 1rre h THR 768 Cb 1.15 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1rre h THR 768 CO 0.11 0.45 -0.87 -0.07 0.37 0.00 0.00 175.52 175.52 1rre h LEU 769 N 0.77 0.09 0.00 2.58 3.38 -1.05 -3.38 115.31 117.70 1rre h LEU 769 Ca 0.11 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1rre h LEU 769 Cb 0.74 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1rre h LEU 769 CO 0.06 0.91 -1.86 0.00 0.09 0.00 0.00 178.44 177.64 1rre n ALA 770 N -2.41 1.94 -2.52 1.53 0.00 0.23 -4.92 120.51 114.37 1rre n ALA 770 Ca -0.02 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.24 1rre n ALA 770 Cb 0.81 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -5.46 4.46 0.21 0.00 1.43 -0.83 -0.65 118.68 117.85 1rre s LEU 771 Ca -0.06 0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1rre s LEU 771 Cb 0.09 -2.59 0.17 0.00 0.03 0.00 0.00 46.19 43.89 1rre s LEU 771 CO 0.84 0.30 1.88 -0.61 0.23 0.00 0.00 176.35 178.99 1rre h GLN 772 N 4.88 1.05 -6.27 1.70 4.15 -1.08 -3.44 115.11 116.09 1rre h GLN 772 Ca -0.51 -0.07 -0.47 0.00 0.77 0.00 0.00 58.65 58.38 1rre h GLN 772 Cb 1.22 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1rre h GLN 772 CO 0.63 0.71 -0.34 -0.80 -1.93 0.00 0.00 178.83 177.09 1rre s ASN 773 N -5.94 5.31 0.00 -0.69 -0.87 -1.26 -5.04 114.94 106.44 1rre s ASN 773 Ca -0.13 -0.60 0.00 0.00 -1.57 0.00 0.00 52.86 50.57 1rre s ASN 773 Cb 0.15 -0.65 0.00 0.00 -0.02 0.00 0.00 41.25 40.73 1rre s ASN 773 CO 0.79 -0.66 0.00 -0.62 -2.57 0.00 0.00 177.10 174.04 1rre n GLU 774 N -1.64 0.00 0.00 -0.60 1.02 -1.26 -4.97 120.64 113.19 1rre n GLU 774 Ca 0.05 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1rre n GLU 774 Cb 0.61 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 32.44 1rre n GLU 774 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96