#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rre n ARG 594 N 0.00 2.54 -3.67 1.20 5.12 -1.26 -4.78 116.66 115.81 1rre n ARG 594 Ca 0.00 -1.88 -0.16 0.00 -1.93 0.00 0.00 57.85 53.89 1rre n ARG 594 Cb 0.00 -2.18 -0.15 0.00 -1.16 0.00 0.00 32.46 28.97 1rre n ARG 594 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1rre s VAL 595 N -0.44 -0.31 0.12 1.55 1.01 -1.26 -1.38 120.40 119.68 1rre s VAL 595 Ca 0.63 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 1rre s VAL 595 Cb 0.32 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 1rre s VAL 595 CO -0.11 0.14 0.28 -0.83 0.00 0.00 0.00 175.10 174.58 1rre s GLY 596 N 2.32 2.01 -0.10 4.51 0.00 0.12 -4.80 107.32 111.38 1rre s GLY 596 Ca 0.02 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 1rre s GLY 596 CO -0.07 -0.82 0.23 -0.86 0.00 0.00 0.00 173.10 171.58 1rre s GLN 597 N -2.85 0.22 -0.12 2.90 -2.07 -1.26 -1.03 119.66 115.45 1rre s GLN 597 Ca 0.36 0.45 -0.08 0.00 -1.82 0.00 0.00 55.36 54.27 1rre s GLN 597 Cb -0.12 -0.04 0.04 0.00 -1.09 0.00 0.00 33.01 31.80 1rre s GLN 597 CO 0.28 -0.12 0.30 0.54 -1.32 0.00 0.00 175.29 174.97 1rre s VAL 598 N 0.87 -0.02 -0.25 3.63 0.11 -0.56 -4.63 120.40 119.54 1rre s VAL 598 Ca -0.06 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 1rre s VAL 598 Cb -0.07 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1rre s VAL 598 CO -0.05 0.03 1.04 -0.89 -3.33 0.00 0.00 175.10 171.90 1rre s THR 599 N 0.74 4.64 0.22 5.04 2.01 -1.26 -0.11 115.64 126.91 1rre s THR 599 Ca -0.05 1.94 0.09 0.00 0.31 0.00 0.00 61.69 63.98 1rre s THR 599 Cb -0.06 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1rre s THR 599 CO -0.05 -0.26 -0.03 -0.83 -0.69 0.00 0.00 174.62 172.76 1rre s GLY 600 N 1.32 1.69 -0.22 4.40 0.00 0.11 -4.31 107.32 110.31 1rre s GLY 600 Ca 0.44 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 1rre s GLY 600 CO 0.08 -1.58 -0.11 1.08 0.00 0.00 0.00 173.10 172.57 1rre s LEU 601 N -3.25 2.85 0.25 0.66 1.43 -1.26 0.07 118.68 119.43 1rre s LEU 601 Ca 0.28 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 1rre s LEU 601 Cb -0.08 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1rre s LEU 601 CO 0.18 -0.08 0.49 0.00 0.23 0.00 0.00 176.35 177.17 1rre s ALA 602 N 1.30 -0.27 0.19 4.21 0.00 -0.53 -4.45 121.76 122.21 1rre s ALA 602 Ca 0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1rre s ALA 602 Cb -0.16 1.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 1rre s ALA 602 CO -0.07 -0.86 1.02 -0.46 0.00 0.00 0.00 175.76 175.38 1rre s TRP 603 N -3.97 3.76 0.04 0.00 -0.00 -1.23 0.44 118.94 117.98 1rre s TRP 603 Ca 0.22 1.76 0.03 0.00 -0.00 0.00 0.00 56.10 58.10 1rre s TRP 603 Cb -0.01 -3.14 -0.02 0.00 -0.00 0.00 0.00 33.47 30.30 1rre s TRP 603 CO 0.09 -0.09 -0.09 0.95 -0.00 0.00 0.00 176.95 177.82 1rre s THR 604 N -0.57 0.61 0.24 5.86 -4.23 -1.26 -2.05 115.64 114.24 1rre s THR 604 Ca 0.46 -1.10 0.16 0.00 -1.18 0.00 0.00 61.69 60.03 1rre s THR 604 Cb -0.27 -0.66 0.09 0.00 1.34 0.00 0.00 72.50 73.00 1rre s THR 604 CO 0.34 -0.36 1.74 -0.08 -0.54 0.00 0.00 174.62 175.72 1rre h GLU 605 N 4.49 0.00 -1.95 3.99 4.81 -1.49 -0.73 114.58 123.70 1rre h GLU 605 Ca -0.36 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.70 1rre h GLU 605 Cb 1.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1rre h GLU 605 CO 0.41 0.42 -0.08 1.33 -0.73 0.00 0.00 179.01 180.36 1rre n VAL 606 N -3.70 2.63 -1.68 0.32 0.24 -1.26 -4.91 118.33 109.96 1rre n VAL 606 Ca -0.01 -1.29 -0.01 0.00 -2.04 0.00 0.00 64.34 60.99 1rre n VAL 606 Cb 0.50 -1.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.17 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 1.73 -3.50 3.66 7.63 0.00 -0.30 -4.85 105.19 109.56 1rre n GLY 607 Ca 0.26 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 0.40 1.83 0.00 -0.02 0.00 -1.05 -4.60 105.19 101.74 1rre n GLY 608 Ca -0.08 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1rre n GLY 608 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rre n ASP 609 N 7.43 0.13 -4.68 1.61 5.68 0.17 -4.11 116.55 122.79 1rre n ASP 609 Ca 0.20 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.07 1rre n ASP 609 Cb 0.40 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 1rre n ASP 609 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1rre s LEU 610 N 0.00 4.19 0.09 -2.12 0.20 -1.26 -1.45 118.68 118.33 1rre s LEU 610 Ca 0.00 1.41 0.04 0.00 0.69 0.00 0.00 54.13 56.28 1rre s LEU 610 Cb 0.00 -3.49 -0.03 0.00 -0.43 0.00 0.00 46.19 42.24 1rre s LEU 610 CO 0.00 -0.50 -0.11 -0.76 -0.29 0.00 0.00 176.35 174.68 1rre s LEU 611 N 2.39 2.37 -0.28 -0.68 1.43 0.11 -4.99 118.68 119.02 1rre s LEU 611 Ca 0.45 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1rre s LEU 611 Cb -0.17 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1rre s LEU 611 CO 0.13 -0.20 0.23 -0.89 0.23 0.00 0.00 176.35 175.85 1rre s THR 612 N -2.09 5.28 -0.13 5.49 2.01 -1.26 0.06 115.64 125.00 1rre s THR 612 Ca 0.03 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1rre s THR 612 Cb -0.05 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1rre s THR 612 CO 0.01 0.21 0.55 -0.63 -0.69 0.00 0.00 174.62 174.07 1rre s ILE 613 N 1.82 5.12 0.05 1.82 1.09 0.84 -4.01 121.20 127.94 1rre s ILE 613 Ca 0.09 1.10 0.06 0.00 -1.10 0.00 0.00 60.65 60.79 1rre s ILE 613 Cb -0.16 -3.89 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 1rre s ILE 613 CO 0.11 0.26 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.49 1rre s GLU 614 N 0.94 2.25 -0.15 2.79 2.02 -0.03 -1.50 118.70 125.02 1rre s GLU 614 Ca 0.29 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 1rre s GLU 614 Cb -0.16 -2.33 0.07 0.00 0.10 0.00 0.00 34.13 31.81 1rre s GLU 614 CO 0.12 0.55 0.22 0.95 0.02 0.00 0.00 175.26 177.12 1rre s THR 615 N -1.05 -0.34 0.25 3.63 -4.23 -0.20 -1.18 115.64 112.52 1rre s THR 615 Ca 0.18 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1rre s THR 615 Cb -0.11 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1rre s THR 615 CO 0.09 -0.03 0.40 0.00 -0.54 0.00 0.00 174.62 174.54 1rre s ALA 616 N 2.35 3.86 -0.43 3.99 0.00 0.11 0.16 121.76 131.80 1rre s ALA 616 Ca 0.04 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1rre s ALA 616 Cb -0.14 -1.88 0.27 0.00 0.00 0.00 0.00 23.12 21.37 1rre s ALA 616 CO -0.10 0.25 0.75 0.00 0.00 0.00 0.00 175.76 176.66 1rre s VAL 618 N -0.62 2.84 0.29 0.00 -7.23 -0.88 -4.79 120.40 110.00 1rre s VAL 618 Ca 0.33 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1rre s VAL 618 Cb 0.23 -3.19 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 1rre s VAL 618 CO -0.14 -0.20 1.59 -2.65 -0.31 0.00 0.00 175.10 173.39 1rre n PRO 619 N -2.79 2.66 0.00 4.82 -0.02 -1.26 -1.07 135.00 137.33 1rre n PRO 619 Ca 0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1rre n PRO 619 Cb 0.59 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.25 2.24 2.03 -1.23 0.00 -0.79 -4.39 105.19 105.30 1rre n GLY 620 Ca 0.09 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 0.91 -2.32 1.61 4.76 -1.25 -3.34 118.16 118.54 1rre n LYS 621 Ca 0.00 -2.76 -0.02 0.00 -2.87 0.00 0.00 58.31 52.66 1rre n LYS 621 Cb 0.00 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 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 -0.07 0.55 3.75 0.72 0.00 0.10 -4.85 105.19 105.39 1rre n GLY 622 Ca 0.08 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1rre n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rre s LYS 623 N -4.61 4.13 -0.18 1.61 -0.14 -1.25 -4.98 119.74 114.32 1rre s LYS 623 Ca 0.03 0.03 -0.10 0.00 -1.36 0.00 0.00 55.97 54.56 1rre s LYS 623 Cb -0.01 -3.38 -0.05 0.00 -1.68 0.00 0.00 37.83 32.70 1rre s LYS 623 CO 0.03 0.34 0.16 -1.17 -0.76 0.00 0.00 175.35 173.95 1rre s LEU 624 N 0.18 4.24 0.05 3.17 2.96 -1.26 -0.82 118.68 127.20 1rre s LEU 624 Ca 0.15 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1rre s LEU 624 Cb -0.13 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1rre s LEU 624 CO 0.03 0.20 -0.10 0.42 -1.32 0.00 0.00 176.35 175.58 1rre s THR 625 N 0.18 0.76 -0.10 3.68 -4.23 -0.05 -4.99 115.64 110.89 1rre s THR 625 Ca 0.10 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1rre s THR 625 Cb -0.11 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 72.97 1rre s THR 625 CO -0.00 -0.32 0.26 -0.72 -0.54 0.00 0.00 174.62 173.30 1rre s TYR 626 N -1.34 -0.30 0.05 3.99 -0.85 -1.26 -1.61 117.35 116.05 1rre s TYR 626 Ca -0.07 0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 57.18 1rre s TYR 626 Cb -0.10 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 1rre s TYR 626 CO 0.01 -0.16 0.01 0.95 -1.52 0.00 0.00 175.55 174.84 1rre s THR 627 N 0.34 0.20 0.00 -3.49 -4.23 -0.53 -4.98 115.64 102.95 1rre s THR 627 Ca -0.02 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1rre s THR 627 Cb -0.03 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1rre s THR 627 CO -0.01 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 173.75 1rre n GLY 628 N 0.13 0.89 3.53 3.99 0.00 -1.26 -1.39 105.19 111.09 1rre n GLY 628 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -6.19 -4.72 1.61 7.64 -1.24 -4.61 113.62 106.11 1rre n SER 629 Ca 0.00 -0.52 -0.41 0.00 1.01 0.00 0.00 58.87 58.94 1rre n SER 629 Cb 0.00 -4.90 -0.04 0.00 -1.01 0.00 0.00 64.21 58.26 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 -7.10 4.45 0.87 -3.43 1.43 -1.26 -2.23 118.68 111.40 1rre s LEU 630 Ca 0.56 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1rre s LEU 630 Cb -0.25 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.50 1rre s LEU 630 CO 0.71 -0.20 1.13 -0.83 0.23 0.00 0.00 176.35 177.39 1rre s GLY 631 N 0.35 1.59 0.20 -3.19 0.00 0.39 -4.83 107.32 101.83 1rre s GLY 631 Ca 0.50 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.65 1rre s GLY 631 CO 0.30 0.05 1.79 -2.09 0.00 0.00 0.00 173.10 173.15 1rre h GLU 632 N -1.32 1.02 -0.04 2.90 4.81 -1.97 -1.59 114.58 118.38 1rre h GLU 632 Ca -0.49 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1rre h GLU 632 Cb 1.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1rre h GLU 632 CO 0.62 0.80 0.00 0.28 -0.73 0.00 0.00 179.01 179.98 1rre n VAL 633 N -4.43 0.00 0.00 0.32 0.31 -1.26 -1.25 118.33 112.02 1rre n VAL 633 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1rre n VAL 633 Cb 0.13 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.49 0.00 0.08 5.55 6.02 -0.60 -1.25 117.38 127.67 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 0.00 0.00 0.27 0.00 1.02 0.00 0.00 30.24 31.53 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 0.30 0.00 -1.09 5.08 -1.45 -2.09 114.58 115.33 1rre h GLU 636 Ca 0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1rre h GLU 636 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rre h GLU 636 CO 0.00 0.56 -0.08 0.66 -1.00 0.00 0.00 179.01 179.15 1rre h SER 637 N 0.27 0.00 -0.32 1.42 4.64 -1.44 -1.37 113.55 116.76 1rre h SER 637 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1rre h SER 637 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1rre h SER 637 CO 0.05 0.08 -0.31 0.40 -0.87 0.00 0.00 176.83 176.17 1rre h ILE 638 N 0.00 1.29 -0.46 0.95 2.04 -1.67 -1.39 117.51 118.27 1rre h ILE 638 Ca -0.00 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.41 1rre h ILE 638 Cb 0.15 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1rre h ILE 638 CO 0.01 0.48 0.23 1.56 0.00 0.00 0.00 178.15 180.44 1rre h GLN 639 N 0.53 0.45 -0.55 2.37 4.20 -1.31 -1.73 115.11 119.07 1rre h GLN 639 Ca 0.05 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1rre h GLN 639 Cb 0.89 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1rre h GLN 639 CO 0.08 0.30 0.12 0.00 -0.67 0.00 0.00 178.83 178.65 1rre h ALA 640 N 1.24 0.73 -0.46 3.87 0.00 -1.00 -1.98 119.26 121.66 1rre h ALA 640 Ca 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rre h ALA 640 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1rre h ALA 640 CO -0.13 0.45 0.27 0.00 0.00 0.00 0.00 179.25 179.84 1rre h ALA 641 N 1.01 0.59 -0.39 0.00 0.00 -1.03 -1.19 119.26 118.25 1rre h ALA 641 Ca 0.17 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1rre h ALA 641 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1rre h ALA 641 CO 0.01 -0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.59 1rre h LEU 642 N 0.53 0.15 -0.67 0.00 6.46 -1.16 -2.68 115.31 117.94 1rre h LEU 642 Ca 0.19 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1rre h LEU 642 Cb 0.03 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1rre h LEU 642 CO -0.09 0.12 0.27 0.74 -0.62 0.00 0.00 178.44 178.86 1rre h THR 643 N 0.30 1.24 -0.76 1.05 2.02 -0.72 -0.97 112.91 115.07 1rre h THR 643 Ca 0.18 -0.75 0.14 0.00 0.77 0.00 0.00 66.41 66.75 1rre h THR 643 Cb 0.16 0.47 -0.10 0.00 -1.74 0.00 0.00 68.15 66.94 1rre h THR 643 CO -0.18 0.30 0.31 0.58 0.37 0.00 0.00 175.52 176.90 1rre h VAL 644 N 0.95 0.66 -0.32 3.16 2.07 -0.99 -1.78 116.25 120.00 1rre h VAL 644 Ca 0.23 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 1rre h VAL 644 Cb 0.20 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1rre h VAL 644 CO -0.02 0.08 -0.48 0.58 0.02 0.00 0.00 177.57 177.76 1rre h VAL 645 N 0.46 1.27 -0.37 2.57 2.07 -1.02 -2.51 116.25 118.73 1rre h VAL 645 Ca 0.42 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1rre h VAL 645 Cb 0.63 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1rre h VAL 645 CO -0.40 0.55 -0.11 0.03 0.02 0.00 0.00 177.57 177.66 1rre h ARG 646 N 0.70 0.65 0.01 1.57 3.08 -0.87 0.12 114.38 119.63 1rre h ARG 646 Ca 0.03 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1rre h ARG 646 Cb 1.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1rre h ARG 646 CO 0.11 0.74 -0.89 0.00 -1.07 0.00 0.00 179.97 178.86 1rre h ALA 647 N 1.29 0.52 -0.54 0.04 0.00 -1.33 -3.26 119.26 115.98 1rre h ALA 647 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1rre h ALA 647 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rre h ALA 647 CO 0.03 0.99 0.00 0.54 0.00 0.00 0.00 179.25 180.81 1rre n ARG 648 N -3.59 3.71 -0.31 0.00 1.74 -0.94 -4.75 116.66 112.53 1rre n ARG 648 Ca -0.02 -2.85 0.01 0.00 -0.77 0.00 0.00 57.85 54.22 1rre n ARG 648 Cb 0.83 -1.88 0.14 0.00 -1.02 0.00 0.00 32.46 30.53 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 3.49 1.18 -0.07 7.54 0.00 -1.03 -2.08 119.26 128.29 1rre h ALA 649 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rre h ALA 649 Cb 1.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rre h ALA 649 CO 0.25 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.68 1rre h GLU 650 N 0.96 0.14 0.00 0.00 5.08 -1.86 0.80 114.58 119.70 1rre h GLU 650 Ca 0.38 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1rre h GLU 650 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1rre h GLU 650 CO -0.18 0.45 0.04 0.87 -1.00 0.00 0.00 179.01 179.19 1rre h LYS 651 N -0.18 0.00 -0.00 2.33 1.57 -1.77 -2.33 116.57 116.20 1rre h LYS 651 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1rre h LYS 651 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1rre h LYS 651 CO 0.01 0.00 -0.93 1.28 -0.57 0.00 0.00 179.45 179.24 1rre n LEU 652 N -2.86 0.96 0.00 2.94 4.77 -0.84 -4.98 117.00 116.99 1rre n LEU 652 Ca -0.03 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1rre n LEU 652 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1rre n LEU 652 CO 0.17 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1rre n GLY 653 N 1.47 0.73 3.56 -0.72 0.00 -0.88 -5.01 105.19 104.34 1rre n GLY 653 Ca 0.04 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 3.74 -0.36 -0.61 1.01 0.23 -4.94 121.20 118.26 1rre s ILE 654 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 60.65 59.78 1rre s ILE 654 Cb 0.00 -2.56 -0.17 0.00 0.01 0.00 0.00 42.46 39.75 1rre s ILE 654 CO 0.00 0.57 1.78 -0.46 0.00 0.00 0.00 174.94 176.83 1rre n ASN 655 N 2.58 1.95 0.26 3.58 6.94 -1.26 -3.82 115.26 125.49 1rre n ASN 655 Ca -0.18 1.02 0.18 0.00 -0.02 0.00 0.00 54.58 55.58 1rre n ASN 655 Cb 0.53 -1.07 0.90 0.00 -2.36 0.00 0.00 39.78 37.78 1rre n ASN 655 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1rre h PRO 656 N 7.22 0.00 -0.60 -0.53 0.11 -1.95 -1.00 132.00 135.25 1rre h PRO 656 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1rre h PRO 656 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1rre h PRO 656 CO 0.98 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.52 1rre n ASP 657 N -2.77 5.58 -0.27 -2.05 8.00 -1.26 -4.67 116.55 119.11 1rre n ASP 657 Ca -0.02 -2.86 0.10 0.00 0.71 0.00 0.00 54.79 52.73 1rre n ASP 657 Cb 0.11 -0.67 0.36 0.00 -0.02 0.00 0.00 41.12 40.89 1rre n ASP 657 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1rre h PHE 658 N 3.97 0.84 0.00 1.24 -5.15 -1.55 -1.54 116.94 114.76 1rre h PHE 658 Ca 0.00 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1rre h PHE 658 Cb 1.90 -0.27 -0.00 0.00 0.22 0.00 0.00 35.95 37.81 1rre h PHE 658 CO 1.05 0.34 -0.01 -0.92 -2.00 0.00 0.00 178.31 176.77 1rre h TYR 659 N 0.74 0.00 0.00 6.09 3.20 -1.84 -0.11 116.97 125.05 1rre h TYR 659 Ca 0.43 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.20 1rre h TYR 659 Cb 0.62 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1rre h TYR 659 CO -0.00 0.01 -0.48 1.49 -1.64 0.00 0.00 178.16 177.54 1rre h GLU 660 N 0.00 0.00 -0.18 1.82 4.22 -1.60 -2.56 114.58 116.28 1rre h GLU 660 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1rre h GLU 660 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1rre h GLU 660 CO 0.00 0.48 0.00 1.63 -2.18 0.00 0.00 179.01 178.94 1rre n LYS 661 N -3.53 2.34 -4.05 1.92 4.76 -0.13 -3.63 118.16 115.83 1rre n LYS 661 Ca -0.00 -1.98 -0.13 0.00 -2.87 0.00 0.00 58.31 53.33 1rre n LYS 661 Cb 0.59 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.18 1rre n LYS 661 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rre s ARG 662 N -1.79 0.42 -0.08 1.97 0.52 -0.73 -1.88 118.95 117.38 1rre s ARG 662 Ca 0.33 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.90 1rre s ARG 662 Cb 0.21 -0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 1rre s ARG 662 CO 0.31 0.04 0.26 -0.51 0.02 0.00 0.00 175.30 175.43 1rre s ASP 663 N -1.08 6.55 -0.21 0.23 1.11 -0.23 -0.72 116.67 122.32 1rre s ASP 663 Ca -0.07 0.65 -0.03 0.00 0.18 0.00 0.00 52.55 53.28 1rre s ASP 663 Cb -0.07 -2.16 -0.00 0.00 1.07 0.00 0.00 42.92 41.76 1rre s ASP 663 CO -0.00 0.32 -0.07 -0.63 1.18 0.00 0.00 175.17 175.97 1rre s ILE 664 N -0.76 3.15 -0.24 0.77 -1.09 -0.00 -2.08 121.20 120.95 1rre s ILE 664 Ca 0.18 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1rre s ILE 664 Cb -0.14 -2.42 0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1rre s ILE 664 CO 0.07 0.45 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.83 1rre s HIS 665 N 1.40 3.09 -0.21 3.97 5.65 -0.82 -0.87 115.29 127.50 1rre s HIS 665 Ca 0.05 -1.96 -0.09 0.00 0.25 0.00 0.00 55.06 53.32 1rre s HIS 665 Cb -0.14 -1.96 -0.04 0.00 -1.18 0.00 0.00 32.58 29.25 1rre s HIS 665 CO -0.05 -0.83 0.10 0.08 -0.65 0.00 0.00 174.74 173.40 1rre s VAL 666 N 1.21 5.03 0.01 0.89 1.01 -0.63 -0.72 120.40 127.20 1rre s VAL 666 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1rre s VAL 666 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1rre s VAL 666 CO -0.07 0.41 -0.13 -2.28 0.00 0.00 0.00 175.10 173.03 1rre s HIS 667 N 0.68 1.18 -0.40 5.22 2.46 -0.33 -1.45 115.29 122.66 1rre s HIS 667 Ca 0.05 -0.28 0.01 0.00 0.47 0.00 0.00 55.06 55.32 1rre s HIS 667 Cb -0.13 -0.73 0.13 0.00 -0.13 0.00 0.00 32.58 31.72 1rre s HIS 667 CO 0.01 0.00 0.20 0.08 -2.47 0.00 0.00 174.74 172.57 1rre s VAL 668 N -0.56 1.11 0.95 0.89 1.01 -0.48 -0.85 120.40 122.47 1rre s VAL 668 Ca 0.03 -2.19 -0.12 0.00 0.00 0.00 0.00 61.98 59.70 1rre s VAL 668 Cb -0.06 -1.79 0.16 0.00 0.00 0.00 0.00 36.38 34.68 1rre s VAL 668 CO 0.00 -0.86 1.09 -2.16 0.00 0.00 0.00 175.10 173.17 1rre s PRO 669 N 0.72 0.80 0.44 2.72 0.04 -1.26 -4.48 135.00 133.98 1rre s PRO 669 Ca 0.16 0.85 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1rre s PRO 669 Cb -0.23 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1rre s PRO 669 CO -0.04 -2.57 1.14 -2.00 0.04 0.00 0.00 177.00 173.57 1rre s GLU 670 N -4.84 3.89 0.34 4.56 -6.30 -1.26 -4.39 118.70 110.70 1rre s GLU 670 Ca 0.65 1.73 0.13 0.00 -2.50 0.00 0.00 54.97 54.97 1rre s GLU 670 Cb -0.20 -2.48 0.60 0.00 0.00 0.00 0.00 34.13 32.06 1rre s GLU 670 CO 0.58 -0.43 1.75 0.78 0.02 0.00 0.00 175.26 177.96 1rre h GLY 671 N 2.23 0.00 -0.96 -1.50 0.00 -1.89 -2.45 103.07 98.50 1rre h GLY 671 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1rre h GLY 671 CO 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 177.07 1rre n ALA 672 N -2.44 2.69 -2.57 3.60 0.00 -1.26 -3.68 120.51 116.86 1rre n ALA 672 Ca -0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1rre n ALA 672 Cb 0.49 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.11 4.65 0.19 0.00 2.01 -0.92 -4.99 115.64 114.47 1rre s THR 673 Ca 0.31 0.72 -0.32 0.00 0.31 0.00 0.00 61.69 62.71 1rre s THR 673 Cb 0.20 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 68.30 1rre s THR 673 CO 0.37 -0.61 1.71 -2.84 -0.69 0.00 0.00 174.62 172.56 1rre s PRO 674 N 3.30 4.14 0.03 4.92 0.02 -1.26 -4.63 135.00 141.52 1rre s PRO 674 Ca 0.32 2.56 -0.07 0.00 0.02 0.00 0.00 61.00 63.84 1rre s PRO 674 Cb -0.12 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1rre s PRO 674 CO 0.21 -0.74 0.12 -1.59 -0.33 0.00 0.00 177.00 174.67 1rre s LYS 675 N 1.34 0.59 0.26 5.54 -2.85 -0.95 -1.17 119.74 122.51 1rre s LYS 675 Ca 0.75 -0.67 -0.20 0.00 -1.00 0.00 0.00 55.97 54.85 1rre s LYS 675 Cb -0.48 0.24 0.06 0.00 -2.06 0.00 0.00 37.83 35.58 1rre s LYS 675 CO 0.32 -0.15 0.89 0.34 0.10 0.00 0.00 175.35 176.85 1rre s ASP 676 N -1.99 -0.07 0.00 0.03 -1.08 -0.87 -0.46 116.67 112.23 1rre s ASP 676 Ca -0.07 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 1rre s ASP 676 Cb -0.02 0.65 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1rre s ASP 676 CO -0.03 -1.26 0.00 0.61 0.52 0.00 0.00 175.17 175.00 1rre n GLY 677 N -0.56 0.45 0.62 2.66 0.00 -1.26 -3.58 105.19 103.52 1rre n GLY 677 Ca -0.06 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 0.74 1.81 0.03 1.61 -0.04 -1.26 -4.56 135.00 133.33 1rre n PRO 678 Ca 0.00 -1.23 0.13 0.00 -0.04 0.00 0.00 63.50 62.36 1rre n PRO 678 Cb 0.00 -1.40 0.45 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.46 2.64 1.55 0.55 0.00 -1.26 -2.03 120.51 122.42 1rre n ALA 679 Ca 0.16 -0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1rre n ALA 679 Cb 0.35 -1.36 0.65 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.60 2.72 -0.15 0.00 0.00 -1.26 -1.12 120.51 119.10 1rre n ALA 680 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1rre n ALA 680 Cb 0.37 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 4.94 0.60 1.79 0.00 0.00 -1.19 -2.14 103.07 107.07 1rre h GLY 681 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1rre h GLY 681 CO 0.00 -0.05 -0.48 0.16 0.00 0.00 0.00 176.54 176.17 1rre h ILE 682 N 0.26 1.34 0.00 2.60 3.07 -1.65 -1.45 117.51 121.68 1rre h ILE 682 Ca 0.24 -1.70 0.00 0.00 1.55 0.00 0.00 64.86 64.95 1rre h ILE 682 Cb 0.30 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1rre h ILE 682 CO -0.30 0.50 0.00 0.00 -1.05 0.00 0.00 178.15 177.31 1rre n ALA 683 N -2.47 1.54 0.00 0.16 0.00 -0.81 -1.10 120.51 117.83 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 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.23 -0.75 0.00 2.02 -1.38 -1.53 112.91 112.49 1rre h THR 686 Ca 0.00 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1rre h THR 686 Cb 0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1rre h THR 686 CO 0.00 0.24 0.24 0.00 0.37 0.00 0.00 175.52 176.37 1rre h ALA 687 N 1.26 0.99 -0.36 6.16 0.00 -1.07 -0.36 119.26 125.87 1rre h ALA 687 Ca 0.29 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1rre h ALA 687 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rre h ALA 687 CO -0.05 0.67 -0.26 1.25 0.00 0.00 0.00 179.25 180.85 1rre h LEU 688 N 1.12 0.86 -0.75 0.00 5.85 -1.74 -0.39 115.31 120.26 1rre h LEU 688 Ca 0.24 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1rre h LEU 688 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1rre h LEU 688 CO -0.01 1.11 0.32 0.58 -0.34 0.00 0.00 178.44 180.10 1rre h VAL 689 N 0.61 1.25 -0.52 1.05 2.07 -0.99 -1.58 116.25 118.15 1rre h VAL 689 Ca 0.07 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1rre h VAL 689 Cb 0.83 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1rre h VAL 689 CO 0.07 0.31 0.23 -1.28 0.02 0.00 0.00 177.57 176.92 1rre h SER 690 N 1.08 0.70 -0.15 0.57 0.87 -0.91 -1.28 113.55 114.42 1rre h SER 690 Ca 0.25 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1rre h SER 690 Cb 0.18 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1rre h SER 690 CO -0.02 0.66 0.10 0.00 -0.53 0.00 0.00 176.83 177.03 1rre h LEU 692 N 0.19 0.00 0.00 0.00 3.38 -1.23 -3.32 115.31 114.33 1rre h LEU 692 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rre h LEU 692 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rre h LEU 692 CO -0.01 0.56 -1.49 0.35 0.09 0.00 0.00 178.44 177.95 1rre n THR 693 N -3.72 0.06 -0.97 0.22 -2.24 -0.49 -4.98 114.28 102.16 1rre n THR 693 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1rre n THR 693 Cb 0.60 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.35 0.64 3.59 3.38 0.00 -0.43 -5.01 105.19 108.71 1rre n GLY 694 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.40 6.63 0.85 1.61 3.04 -1.21 -5.02 114.94 118.43 1rre s ASN 695 Ca 0.00 0.44 -0.11 0.00 0.04 0.00 0.00 52.86 53.23 1rre s ASN 695 Cb 0.00 -2.47 0.10 0.00 -1.54 0.00 0.00 41.25 37.34 1rre s ASN 695 CO 0.00 -0.95 1.09 -2.84 -3.04 0.00 0.00 177.10 171.36 1rre s PRO 696 N 3.66 1.63 -0.00 0.43 0.02 -1.26 -4.53 135.00 134.95 1rre s PRO 696 Ca 0.39 1.03 -0.02 0.00 0.02 0.00 0.00 61.00 62.43 1rre s PRO 696 Cb -0.11 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1rre s PRO 696 CO 0.22 -2.04 0.14 0.08 -0.33 0.00 0.00 177.00 175.07 1rre s VAL 697 N -2.89 5.14 -0.03 3.83 1.01 -1.26 -1.11 120.40 125.09 1rre s VAL 697 Ca 0.63 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1rre s VAL 697 Cb -0.18 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1rre s VAL 697 CO 0.57 0.32 1.55 -0.13 0.00 0.00 0.00 175.10 177.41 1rre s ARG 698 N -1.89 4.22 0.10 2.72 0.52 -0.47 -4.87 118.95 119.27 1rre s ARG 698 Ca 0.26 2.11 0.26 0.00 -0.52 0.00 0.00 55.73 57.84 1rre s ARG 698 Cb -0.12 -3.78 1.00 0.00 0.52 0.00 0.00 34.95 32.56 1rre s ARG 698 CO 0.17 -0.74 1.81 0.00 0.02 0.00 0.00 175.30 176.56 1rre n ALA 699 N 6.33 2.20 1.52 2.13 0.00 -1.26 -2.68 120.51 128.75 1rre n ALA 699 Ca 0.16 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.68 1rre n ALA 699 Cb 0.43 -1.44 0.56 0.00 0.00 0.00 0.00 19.45 19.00 1rre n ALA 699 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rre n ASP 700 N -1.84 1.16 -4.52 0.00 3.85 -1.26 -4.86 116.55 109.08 1rre n ASP 700 Ca 0.06 -1.27 -0.34 0.00 -0.71 0.00 0.00 54.79 52.53 1rre n ASP 700 Cb 0.35 0.01 -0.12 0.00 -1.35 0.00 0.00 41.12 40.01 1rre n ASP 700 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1rre s VAL 701 N -2.11 3.94 0.00 2.12 -7.23 -1.09 -1.70 120.40 114.32 1rre s VAL 701 Ca 0.37 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1rre s VAL 701 Cb 0.21 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1rre s VAL 701 CO 0.38 0.51 0.00 0.00 -0.31 0.00 0.00 175.10 175.67 1rre n ALA 702 N 3.37 0.00 -3.64 1.32 0.00 0.06 -4.27 120.51 117.35 1rre n ALA 702 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 1rre n ALA 702 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 0.54 0.00 0.00 0.00 -1.32 -0.82 -1.57 115.64 112.47 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 1.65 3.98 3.73 6.08 0.00 -0.27 -3.66 105.19 116.70 1rre n GLY 705 Ca -0.10 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.40 4.60 -0.01 1.61 2.12 -1.02 -2.08 118.70 122.53 1rre s GLU 706 Ca 0.00 1.60 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 1rre s GLU 706 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1rre s GLU 706 CO 0.00 0.06 0.14 -1.50 -0.54 0.00 0.00 175.26 173.41 1rre s ILE 707 N 0.17 5.11 0.32 -3.70 2.07 -1.26 -0.24 121.20 123.67 1rre s ILE 707 Ca 0.50 -0.27 0.08 0.00 -1.41 0.00 0.00 60.65 59.55 1rre s ILE 707 Cb -0.26 -3.37 -0.03 0.00 0.13 0.00 0.00 42.46 38.93 1rre s ILE 707 CO 0.32 0.34 0.21 0.42 -1.91 0.00 0.00 174.94 174.32 1rre s THR 708 N -1.26 3.51 0.45 4.00 -4.23 -0.44 -4.92 115.64 112.75 1rre s THR 708 Ca 0.25 -1.51 0.16 0.00 -1.18 0.00 0.00 61.69 59.41 1rre s THR 708 Cb -0.12 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.93 1rre s THR 708 CO 0.16 -0.22 1.98 -0.07 -0.54 0.00 0.00 174.62 175.93 1rre h LEU 709 N 1.42 0.30 0.00 4.79 4.07 -1.90 -0.89 115.31 123.10 1rre h LEU 709 Ca -0.45 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1rre h LEU 709 Cb 1.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1rre h LEU 709 CO 0.60 0.17 0.00 0.54 -1.08 0.00 0.00 178.44 178.68 1rre n ARG 710 N -4.46 0.98 -1.02 1.13 1.74 -1.26 -4.71 116.66 109.06 1rre n ARG 710 Ca 0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1rre n ARG 710 Cb 0.43 -1.16 -0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1rre n ARG 710 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rre n GLY 711 N 0.63 0.43 3.87 -0.13 0.00 -0.34 -4.98 105.19 104.68 1rre n GLY 711 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1rre n GLY 711 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rre s GLN 712 N -0.65 3.75 -0.28 1.61 -1.52 -1.26 -0.81 119.66 120.50 1rre s GLN 712 Ca 0.00 0.58 -0.06 0.00 -1.95 0.00 0.00 55.36 53.92 1rre s GLN 712 Cb 0.00 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.51 1rre s GLN 712 CO 0.00 -0.21 0.06 0.08 -0.25 0.00 0.00 175.29 174.97 1rre s VAL 713 N -2.63 3.89 0.25 1.09 1.01 -0.47 -1.32 120.40 122.22 1rre s VAL 713 Ca 0.53 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1rre s VAL 713 Cb -0.10 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1rre s VAL 713 CO 0.37 0.15 0.48 -0.76 0.00 0.00 0.00 175.10 175.35 1rre s LEU 714 N 1.50 4.13 0.63 3.92 1.43 0.67 -4.68 118.68 126.28 1rre s LEU 714 Ca 0.03 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 53.54 1rre s LEU 714 Cb -0.17 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1rre s LEU 714 CO 0.02 -0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.42 1rre s PRO 715 N -3.47 2.94 0.35 1.29 0.04 -1.26 -2.42 135.00 132.47 1rre s PRO 715 Ca 0.41 1.46 0.09 0.00 0.04 0.00 0.00 61.00 63.00 1rre s PRO 715 Cb -0.11 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1rre s PRO 715 CO 0.30 -1.15 -0.08 0.96 0.04 0.00 0.00 177.00 177.06 1rre s ILE 716 N -2.18 2.18 0.59 0.56 -5.25 -1.26 -4.73 121.20 111.12 1rre s ILE 716 Ca 0.69 -2.18 -0.00 0.00 -0.99 0.00 0.00 60.65 58.16 1rre s ILE 716 Cb -0.22 -2.67 0.05 0.00 2.95 0.00 0.00 42.46 42.57 1rre s ILE 716 CO 0.38 -0.19 0.83 -0.83 -1.79 0.00 0.00 174.94 173.34 1rre s GLY 717 N -3.61 1.80 -1.44 6.27 0.00 -1.26 -4.65 107.32 104.43 1rre s GLY 717 Ca 0.33 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1rre s GLY 717 CO 0.16 -0.98 1.06 0.61 0.00 0.00 0.00 173.10 173.95 1rre n GLY 718 N -2.48 -0.50 0.35 0.20 0.00 -1.26 -4.91 105.19 96.59 1rre n GLY 718 Ca 0.09 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.34 0.87 0.31 0.99 6.46 -1.98 -2.35 115.31 117.27 1rre h LEU 719 Ca -0.58 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1rre h LEU 719 Cb 1.37 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 1rre h LEU 719 CO 0.61 0.62 -0.39 0.11 -0.62 0.00 0.00 178.44 178.78 1rre h LYS 720 N 1.03 -0.72 -0.21 1.25 1.57 -1.92 0.44 116.57 118.01 1rre h LYS 720 Ca 0.29 0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1rre h LYS 720 Cb -0.07 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1rre h LYS 720 CO -0.07 -0.48 -0.18 1.49 -0.57 0.00 0.00 179.45 179.64 1rre h GLU 721 N -0.75 0.35 -0.17 3.15 4.81 -1.83 0.25 114.58 120.40 1rre h GLU 721 Ca -0.01 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1rre h GLU 721 Cb 0.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1rre h GLU 721 CO -0.11 0.53 0.05 0.87 -0.73 0.00 0.00 179.01 179.61 1rre h LYS 722 N 0.33 0.27 -0.05 1.92 1.57 -1.18 -1.70 116.57 117.72 1rre h LYS 722 Ca 0.06 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1rre h LYS 722 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1rre h LYS 722 CO 0.03 0.39 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.52 1rre h LEU 723 N 0.09 0.32 -0.38 2.94 3.38 -0.39 -1.50 115.31 119.78 1rre h LEU 723 Ca 0.05 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rre h LEU 723 Cb 0.24 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1rre h LEU 723 CO -0.00 0.93 0.11 -0.07 0.09 0.00 0.00 178.44 179.50 1rre h LEU 724 N 0.19 0.09 -1.04 1.67 -0.00 -0.94 -0.58 115.31 114.70 1rre h LEU 724 Ca -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1rre h LEU 724 Cb 1.26 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 1rre h LEU 724 CO 0.11 0.08 0.44 0.00 -0.00 0.00 0.00 178.44 179.07 1rre h ALA 725 N 1.26 1.26 -0.52 1.53 0.00 -0.83 -0.04 119.26 121.93 1rre h ALA 725 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rre h ALA 725 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1rre h ALA 725 CO -0.20 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.70 1rre h ALA 726 N 1.36 0.69 -0.24 0.00 0.00 -0.89 -0.32 119.26 119.87 1rre h ALA 726 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rre h ALA 726 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rre h ALA 726 CO -0.05 0.46 0.12 1.25 0.00 0.00 0.00 179.25 181.03 1rre h HIS 727 N 0.75 0.35 -0.20 0.00 6.17 -0.82 -1.99 115.15 119.41 1rre h HIS 727 Ca 0.15 -0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.09 1rre h HIS 727 Cb 0.44 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 1rre h HIS 727 CO 0.03 0.34 -0.40 0.00 0.71 0.00 0.00 177.93 178.61 1rre h ARG 728 N 0.26 0.47 0.00 5.26 3.08 -0.87 -2.19 114.38 120.38 1rre h ARG 728 Ca 0.08 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1rre h ARG 728 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rre h ARG 728 CO -0.01 0.79 0.00 0.41 -1.07 0.00 0.00 179.97 180.09 1rre n GLY 729 N -0.07 -0.96 2.13 0.04 0.00 -0.14 -4.92 105.19 101.27 1rre n GLY 729 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 0.35 0.14 3.76 -0.02 0.00 -0.82 -5.02 105.19 103.58 1rre n GLY 730 Ca 0.08 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.42 4.27 -0.12 -0.61 -1.09 -0.79 -4.99 121.20 115.46 1rre s ILE 731 Ca 0.02 1.85 -0.19 0.00 -2.23 0.00 0.00 60.65 60.10 1rre s ILE 731 Cb -0.01 -4.21 -0.26 0.00 -1.58 0.00 0.00 42.46 36.39 1rre s ILE 731 CO 0.03 0.51 0.59 0.50 -1.23 0.00 0.00 174.94 175.33 1rre h LYS 732 N 4.33 0.18 -4.78 2.79 3.64 -1.77 -3.44 116.57 117.52 1rre h LYS 732 Ca -0.46 -0.31 -0.53 0.00 -1.27 0.00 0.00 60.65 58.09 1rre h LYS 732 Cb 1.20 0.11 -0.33 0.00 -0.41 0.00 0.00 32.23 32.81 1rre h LYS 732 CO 0.67 1.15 -0.82 0.99 -2.27 0.00 0.00 179.45 179.16 1rre s THR 733 N -2.41 1.23 -0.10 1.00 2.01 -0.69 -1.37 115.64 115.30 1rre s THR 733 Ca -0.20 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1rre s THR 733 Cb 0.03 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1rre s THR 733 CO 0.74 0.37 -0.20 0.68 -0.69 0.00 0.00 174.62 175.52 1rre s VAL 734 N 0.44 1.78 -0.17 3.82 -7.23 -0.44 -0.76 120.40 117.85 1rre s VAL 734 Ca -0.11 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.04 1rre s VAL 734 Cb -0.14 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1rre s VAL 734 CO 0.03 0.50 0.46 -0.76 -0.31 0.00 0.00 175.10 175.02 1rre s LEU 735 N 0.57 4.20 0.17 1.32 1.02 -0.61 -0.72 118.68 124.64 1rre s LEU 735 Ca -0.15 0.67 0.06 0.00 0.02 0.00 0.00 54.13 54.74 1rre s LEU 735 Cb -0.17 -2.63 -0.05 0.00 0.02 0.00 0.00 46.19 43.37 1rre s LEU 735 CO 0.05 -0.07 -0.13 0.27 0.02 0.00 0.00 176.35 176.49 1rre s ILE 736 N 1.11 1.47 0.38 -0.59 -4.36 -0.86 -1.95 121.20 116.40 1rre s ILE 736 Ca 0.23 -2.12 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 1rre s ILE 736 Cb -0.15 -1.93 -0.10 0.00 1.25 0.00 0.00 42.46 41.53 1rre s ILE 736 CO 0.09 -0.65 1.38 -2.84 0.24 0.00 0.00 174.94 173.16 1rre s PRO 737 N -3.63 4.11 0.29 0.37 0.02 -1.24 -0.96 135.00 133.96 1rre s PRO 737 Ca 0.19 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.60 1rre s PRO 737 Cb 0.00 -2.92 0.71 0.00 0.02 0.00 0.00 34.50 32.32 1rre s PRO 737 CO 0.04 -0.44 1.75 0.35 -0.33 0.00 0.00 177.00 178.37 1rre h PHE 738 N 2.97 0.93 0.00 6.54 3.57 -0.73 0.51 116.94 130.72 1rre h PHE 738 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1rre h PHE 738 Cb 1.24 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1rre h PHE 738 CO 0.54 0.15 0.00 0.39 -2.23 0.00 0.00 178.31 177.16 1rre n GLU 739 N -4.85 0.24 -0.03 1.11 4.71 -1.26 -1.99 120.64 118.57 1rre n GLU 739 Ca 0.22 0.12 0.13 0.00 -0.01 0.00 0.00 57.16 57.62 1rre n GLU 739 Cb 0.58 -1.50 0.45 0.00 -1.01 0.00 0.00 31.44 29.96 1rre n GLU 739 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1rre n ASN 740 N -1.30 1.67 -0.23 1.62 5.03 0.17 -4.44 115.26 117.78 1rre n ASN 740 Ca 0.08 -1.60 -0.00 0.00 0.87 0.00 0.00 54.58 53.93 1rre n ASN 740 Cb 0.15 -0.04 0.11 0.00 -1.02 0.00 0.00 39.78 38.98 1rre n ASN 740 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1rre h LYS 741 N 2.46 0.58 0.00 3.52 1.57 -1.48 -0.81 116.57 122.41 1rre h LYS 741 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1rre h LYS 741 Cb 0.53 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1rre h LYS 741 CO 0.00 0.38 -0.03 0.00 -0.57 0.00 0.00 179.45 179.23 1rre h ARG 742 N 0.60 0.00 0.00 3.15 2.47 -1.83 -0.26 114.38 118.50 1rre h ARG 742 Ca 0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1rre h ARG 742 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1rre h ARG 742 CO -0.23 0.03 0.00 -0.44 0.56 0.00 0.00 179.97 179.89 1rre h ASP 743 N 0.00 0.00 0.36 7.04 3.45 -1.43 -3.26 116.42 122.57 1rre h ASP 743 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1rre h ASP 743 Cb 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1rre h ASP 743 CO 0.00 0.00 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.59 1rre h LEU 744 N 0.00 0.00 -0.83 1.55 3.38 -1.04 -2.95 115.31 115.42 1rre h LEU 744 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1rre h LEU 744 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rre h LEU 744 CO 0.00 0.02 -0.46 -0.08 0.09 0.00 0.00 178.44 178.00 1rre h GLU 745 N 0.00 0.28 0.00 1.13 4.81 -1.76 -2.94 114.58 116.10 1rre h GLU 745 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1rre h GLU 745 Cb 0.20 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1rre h GLU 745 CO 0.00 0.69 0.00 -0.85 -0.73 0.00 0.00 179.01 178.12 1rre n GLU 746 N -3.98 0.45 -2.91 1.92 0.28 -1.11 -4.85 120.64 110.44 1rre n GLU 746 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.59 1rre n GLU 746 Cb 0.52 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 1rre n GLU 746 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rre s ILE 747 N -2.54 4.31 0.42 3.84 -1.09 -1.11 -5.01 121.20 120.02 1rre s ILE 747 Ca 0.29 1.82 -0.26 0.00 -2.23 0.00 0.00 60.65 60.27 1rre s ILE 747 Cb 0.20 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 1rre s ILE 747 CO 0.45 0.50 1.45 -2.65 -1.23 0.00 0.00 174.94 173.47 1rre n PRO 748 N 1.68 2.43 -0.32 2.79 -0.02 -1.26 -4.82 135.00 135.48 1rre n PRO 748 Ca -0.04 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 1rre n PRO 748 Cb 0.48 -2.64 0.27 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.57 0.59 0.28 2.55 3.45 -1.94 -2.02 116.42 121.89 1rre h ASP 749 Ca -0.51 0.10 -0.10 0.00 0.43 0.00 0.00 57.03 56.96 1rre h ASP 749 Cb 1.26 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 40.02 1rre h ASP 749 CO 0.62 0.21 -0.40 -0.55 -1.57 0.00 0.00 179.24 177.55 1rre h ASN 750 N 0.64 0.16 -0.41 6.45 -1.07 -1.98 0.24 115.58 119.61 1rre h ASN 750 Ca 0.52 -0.07 -0.12 0.00 0.07 0.00 0.00 56.30 56.70 1rre h ASN 750 Cb 0.79 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.99 1rre h ASN 750 CO -0.39 0.55 -0.21 -0.37 0.07 0.00 0.00 177.43 177.08 1rre h VAL 751 N 0.14 1.28 -0.39 6.14 -1.51 -1.75 -0.59 116.25 119.56 1rre h VAL 751 Ca 0.01 -1.35 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1rre h VAL 751 Cb 0.77 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 1rre h VAL 751 CO 0.06 0.46 0.09 0.40 -1.23 0.00 0.00 177.57 177.35 1rre h ILE 752 N 0.69 1.18 0.05 7.19 1.08 -0.90 -1.83 117.51 124.96 1rre h ILE 752 Ca 0.09 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1rre h ILE 752 Cb 0.77 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1rre h ILE 752 CO 0.06 0.23 -0.02 0.00 -0.69 0.00 0.00 178.15 177.73 1rre h ALA 753 N 1.54 -0.06 -0.98 1.87 0.00 -0.43 -3.30 119.26 117.91 1rre h ALA 753 Ca 0.13 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rre h ALA 753 Cb 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1rre h ALA 753 CO -0.00 -0.41 0.64 0.22 0.00 0.00 0.00 179.25 179.70 1rre h ASP 754 N -0.31 1.06 -3.23 0.00 3.58 -0.84 -3.45 116.42 113.22 1rre h ASP 754 Ca -0.01 -0.01 -0.66 0.00 0.42 0.00 0.00 57.03 56.78 1rre h ASP 754 Cb 0.28 -0.24 -0.15 0.00 1.72 0.00 0.00 39.33 40.94 1rre h ASP 754 CO 0.01 0.72 -0.60 -0.76 -2.88 0.00 0.00 179.24 175.74 1rre s LEU 755 N -10.11 3.68 -0.67 2.28 1.43 -0.71 -4.91 118.68 109.68 1rre s LEU 755 Ca -0.12 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 1rre s LEU 755 Cb 0.19 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.64 1rre s LEU 755 CO 0.81 0.30 0.83 -0.62 0.23 0.00 0.00 176.35 177.91 1rre s ASP 756 N -0.41 6.27 -0.33 2.29 2.15 -0.47 -4.82 116.67 121.34 1rre s ASP 756 Ca 0.08 -1.46 -0.18 0.00 0.43 0.00 0.00 52.55 51.42 1rre s ASP 756 Cb -0.12 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1rre s ASP 756 CO 0.02 -1.17 0.50 -0.63 -0.17 0.00 0.00 175.17 173.72 1rre s ILE 757 N 2.93 5.04 -0.34 4.11 1.01 -1.26 -1.33 121.20 131.36 1rre s ILE 757 Ca 0.17 0.41 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 1rre s ILE 757 Cb -0.19 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.40 1rre s ILE 757 CO 0.04 -0.15 0.10 -1.00 0.00 0.00 0.00 174.94 173.94 1rre s HIS 758 N 2.34 3.26 0.29 3.97 3.76 0.10 -4.99 115.29 124.03 1rre s HIS 758 Ca 0.18 -1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 53.37 1rre s HIS 758 Cb -0.16 -2.28 -0.10 0.00 1.11 0.00 0.00 32.58 31.16 1rre s HIS 758 CO 0.12 -0.73 1.12 -2.14 -0.85 0.00 0.00 174.74 172.26 1rre s PRO 759 N 1.40 4.58 0.06 8.40 0.02 -1.26 -2.04 135.00 146.16 1rre s PRO 759 Ca -0.02 1.84 0.05 0.00 0.02 0.00 0.00 61.00 62.89 1rre s PRO 759 Cb -0.20 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 1rre s PRO 759 CO 0.03 0.14 -0.13 0.14 -0.33 0.00 0.00 177.00 176.85 1rre s VAL 760 N -1.19 1.01 -0.08 3.83 -7.23 -0.13 -4.77 120.40 111.83 1rre s VAL 760 Ca 0.46 -1.17 0.10 0.00 -1.81 0.00 0.00 61.98 59.56 1rre s VAL 760 Cb -0.32 -0.97 -0.14 0.00 0.56 0.00 0.00 36.38 35.50 1rre s VAL 760 CO 0.42 -0.18 0.09 0.29 -0.31 0.00 0.00 175.10 175.41 1rre n LYS 761 N 1.50 1.77 -4.09 4.82 5.02 -1.26 -0.04 118.16 125.86 1rre n LYS 761 Ca -0.20 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 55.93 1rre n LYS 761 Cb 0.54 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.40 0.62 0.52 1.97 0.52 -1.26 -1.37 118.95 117.55 1rre s ARG 762 Ca -0.05 -0.93 0.19 0.00 -0.52 0.00 0.00 55.73 54.42 1rre s ARG 762 Cb 0.04 -0.27 1.32 0.00 0.52 0.00 0.00 34.95 36.56 1rre s ARG 762 CO 0.45 0.03 2.10 0.97 0.02 0.00 0.00 175.30 178.86 1rre h ILE 763 N 4.04 0.90 -0.47 1.52 6.09 -1.30 -2.46 117.51 125.84 1rre h ILE 763 Ca -0.36 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.21 1rre h ILE 763 Cb 1.19 0.91 -0.07 0.00 0.47 0.00 0.00 36.82 39.32 1rre h ILE 763 CO 0.48 0.00 0.09 -0.33 -3.07 0.00 0.00 178.15 175.32 1rre h GLU 764 N 0.00 0.21 -0.49 2.19 3.07 -1.96 -1.46 114.58 116.15 1rre h GLU 764 Ca 0.09 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 1rre h GLU 764 Cb 0.36 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1rre h GLU 764 CO -0.00 0.14 -0.17 0.93 -1.40 0.00 0.00 179.01 178.51 1rre h GLU 765 N 0.22 0.97 -0.38 2.33 5.08 -1.87 -2.11 114.58 118.82 1rre h GLU 765 Ca 0.23 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1rre h GLU 765 Cb 0.31 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1rre h GLU 765 CO -0.31 1.07 0.06 0.28 -1.00 0.00 0.00 179.01 179.11 1rre h VAL 766 N 0.83 0.78 -0.17 3.13 2.07 -1.23 -2.10 116.25 119.56 1rre h VAL 766 Ca 0.12 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 1rre h VAL 766 Cb 0.74 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1rre h VAL 766 CO 0.06 0.03 -0.27 -0.07 0.02 0.00 0.00 177.57 177.34 1rre h LEU 767 N 0.18 0.53 -0.89 2.57 3.38 -1.04 -0.01 115.31 120.02 1rre h LEU 767 Ca 0.19 -0.53 0.13 0.00 0.09 0.00 0.00 57.88 57.75 1rre h LEU 767 Cb 0.23 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1rre h LEU 767 CO -0.26 0.96 0.51 0.74 0.09 0.00 0.00 178.44 180.48 1rre h THR 768 N 0.11 0.83 0.00 0.22 2.02 -1.33 -0.55 112.91 114.21 1rre h THR 768 Ca 0.01 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.74 1rre h THR 768 Cb 0.85 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1rre h THR 768 CO 0.06 0.14 -1.02 -0.07 0.37 0.00 0.00 175.52 175.00 1rre h LEU 769 N 0.78 0.00 0.00 2.58 3.38 -1.14 -3.37 115.31 117.54 1rre h LEU 769 Ca 0.46 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.07 1rre h LEU 769 Cb 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1rre h LEU 769 CO -0.31 0.79 -2.34 0.00 0.09 0.00 0.00 178.44 176.67 1rre n ALA 770 N -2.35 1.49 -2.20 1.53 0.00 -0.04 -4.92 120.51 114.02 1rre n ALA 770 Ca -0.03 -1.27 -0.34 0.00 0.00 0.00 0.00 53.44 51.80 1rre n ALA 770 Cb 0.88 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -5.62 4.19 0.15 0.00 1.43 -0.25 -1.36 118.68 117.21 1rre s LEU 771 Ca -0.12 1.23 -0.05 0.00 -1.03 0.00 0.00 54.13 54.16 1rre s LEU 771 Cb 0.06 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1rre s LEU 771 CO 0.81 -0.08 1.38 -0.61 0.23 0.00 0.00 176.35 178.08 1rre h GLN 772 N 2.78 0.52 0.00 1.70 4.15 -1.42 -3.38 115.11 119.45 1rre h GLN 772 Ca -0.48 -0.44 -0.30 0.00 0.77 0.00 0.00 58.65 58.20 1rre h GLN 772 Cb 1.18 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.91 1rre h GLN 772 CO 0.66 1.07 -2.14 0.09 -1.93 0.00 0.00 178.83 176.58 1rre n ASN 773 N -3.85 1.86 0.00 -0.69 3.02 -1.26 -5.06 115.26 109.27 1rre n ASN 773 Ca -0.06 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1rre n ASN 773 Cb 0.74 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1rre n ASN 773 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85