#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr9 n VAL 595 N 0.00 -5.31 -3.29 0.00 0.31 -1.00 -4.96 118.33 104.09 1rr9 n VAL 595 Ca 0.00 0.36 -0.34 0.00 -0.01 0.00 0.00 64.34 64.35 1rr9 n VAL 595 Cb 0.00 -4.30 -0.06 0.00 -0.91 0.00 0.00 33.84 28.57 1rr9 n VAL 595 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rr9 s GLY 596 N -1.62 2.39 0.04 2.92 0.00 0.11 -4.79 107.32 106.37 1rr9 s GLY 596 Ca 0.29 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.97 1rr9 s GLY 596 CO 0.74 0.12 -0.17 1.20 0.00 0.00 0.00 173.10 174.99 1rr9 s GLN 597 N -2.50 1.15 -0.07 2.90 -0.21 -1.26 -1.25 119.66 118.42 1rr9 s GLN 597 Ca 0.46 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.96 1rr9 s GLN 597 Cb -0.13 -1.20 0.02 0.00 1.00 0.00 0.00 33.01 32.70 1rr9 s GLN 597 CO 0.20 0.31 0.18 0.08 -2.12 0.00 0.00 175.29 173.94 1rr9 s VAL 598 N -0.79 -0.01 -0.51 1.09 1.01 -0.76 -4.69 120.40 115.75 1rr9 s VAL 598 Ca 0.04 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1rr9 s VAL 598 Cb -0.08 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.08 1rr9 s VAL 598 CO 0.01 0.01 0.74 -0.89 0.00 0.00 0.00 175.10 174.98 1rr9 s THR 599 N 0.23 4.69 0.28 3.92 2.01 -1.26 -0.90 115.64 124.61 1rr9 s THR 599 Ca -0.01 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.95 1rr9 s THR 599 Cb -0.02 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1rr9 s THR 599 CO -0.01 -0.88 0.39 -0.83 -0.69 0.00 0.00 174.62 172.60 1rr9 s GLY 600 N 2.62 1.41 -0.28 4.40 0.00 0.93 -1.70 107.32 114.71 1rr9 s GLY 600 Ca 0.22 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1rr9 s GLY 600 CO 0.16 -1.33 -0.05 1.08 0.00 0.00 0.00 173.10 172.96 1rr9 s LEU 601 N -4.05 3.51 0.22 0.66 1.43 -0.64 0.06 118.68 119.88 1rr9 s LEU 601 Ca 0.39 -1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 51.88 1rr9 s LEU 601 Cb -0.09 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1rr9 s LEU 601 CO 0.29 -0.26 0.29 0.00 0.23 0.00 0.00 176.35 176.91 1rr9 s ALA 602 N 1.14 0.48 -0.03 4.21 0.00 -0.84 -4.49 121.76 122.24 1rr9 s ALA 602 Ca -0.03 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1rr9 s ALA 602 Cb -0.19 1.22 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1rr9 s ALA 602 CO -0.07 -0.71 1.32 -0.46 0.00 0.00 0.00 175.76 175.84 1rr9 s TRP 603 N -4.09 2.98 0.30 0.00 -0.00 -1.25 -1.44 118.94 115.44 1rr9 s TRP 603 Ca 0.30 0.98 0.11 0.00 -0.00 0.00 0.00 56.10 57.49 1rr9 s TRP 603 Cb 0.03 -3.57 -0.06 0.00 -0.00 0.00 0.00 33.47 29.88 1rr9 s TRP 603 CO 0.10 -1.99 -0.15 0.95 -0.00 0.00 0.00 176.95 175.86 1rr9 s THR 604 N 2.36 2.41 0.50 5.86 -4.23 -0.65 -1.81 115.64 120.07 1rr9 s THR 604 Ca 0.60 -2.32 0.36 0.00 -1.18 0.00 0.00 61.69 59.16 1rr9 s THR 604 Cb -0.29 -2.44 0.57 0.00 1.34 0.00 0.00 72.50 71.68 1rr9 s THR 604 CO 0.24 -0.32 1.69 -0.08 -0.54 0.00 0.00 174.62 175.61 1rr9 h GLU 605 N 2.16 0.07 -1.81 3.99 4.81 -0.21 0.24 114.58 123.84 1rr9 h GLU 605 Ca -0.41 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.16 1rr9 h GLU 605 Cb 1.26 -0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.38 1rr9 h GLU 605 CO 0.64 0.05 0.82 1.33 -0.73 0.00 0.00 179.01 181.12 1rr9 n VAL 606 N -4.31 3.48 -2.07 0.32 0.24 -1.26 -5.03 118.33 109.70 1rr9 n VAL 606 Ca 0.34 -3.57 0.06 0.00 -2.04 0.00 0.00 64.34 59.13 1rr9 n VAL 606 Cb 1.45 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.48 1rr9 n VAL 606 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rr9 n GLY 607 N -0.18 -1.89 3.71 7.63 0.00 0.85 -4.79 105.19 110.52 1rr9 n GLY 607 Ca 0.53 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1rr9 n GLY 607 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rr9 n GLY 608 N -1.67 0.97 3.62 -0.02 0.00 -1.26 -1.64 105.19 105.19 1rr9 n GLY 608 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1rr9 n GLY 608 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rr9 s ASP 609 N 0.23 -0.19 -0.24 1.61 2.15 -0.52 -4.66 116.67 115.05 1rr9 s ASP 609 Ca 0.63 -0.69 -0.26 0.00 0.43 0.00 0.00 52.55 52.66 1rr9 s ASP 609 Cb -0.57 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 1rr9 s ASP 609 CO 0.52 -1.15 0.91 -0.22 -0.17 0.00 0.00 175.17 175.06 1rr9 s LEU 610 N -2.94 4.09 0.08 -1.34 0.20 -1.26 -1.98 118.68 115.52 1rr9 s LEU 610 Ca 0.15 1.17 0.09 0.00 0.69 0.00 0.00 54.13 56.23 1rr9 s LEU 610 Cb -0.02 -3.32 -0.03 0.00 -0.43 0.00 0.00 46.19 42.38 1rr9 s LEU 610 CO 0.04 -0.57 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.55 1rr9 s LEU 611 N 2.96 2.48 -0.50 -0.68 1.43 0.11 -4.98 118.68 119.49 1rr9 s LEU 611 Ca 0.38 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1rr9 s LEU 611 Cb -0.15 -1.41 0.13 0.00 0.03 0.00 0.00 46.19 44.78 1rr9 s LEU 611 CO 0.07 0.22 0.37 -0.89 0.23 0.00 0.00 176.35 176.35 1rr9 s THR 612 N -0.98 4.17 -0.04 5.49 2.01 -1.26 -0.05 115.64 124.98 1rr9 s THR 612 Ca 0.15 -1.97 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 1rr9 s THR 612 Cb -0.10 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1rr9 s THR 612 CO 0.06 -0.80 1.07 -0.63 -0.69 0.00 0.00 174.62 173.64 1rr9 s ILE 613 N 1.12 4.57 -0.04 1.82 1.09 -0.08 -3.90 121.20 125.79 1rr9 s ILE 613 Ca 0.08 1.86 0.06 0.00 -1.10 0.00 0.00 60.65 61.54 1rr9 s ILE 613 Cb -0.24 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 36.94 1rr9 s ILE 613 CO -0.02 0.06 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.06 1rr9 s GLU 614 N 1.68 2.34 -0.06 2.79 2.02 -0.46 -1.84 118.70 125.18 1rr9 s GLU 614 Ca 0.53 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 1rr9 s GLU 614 Cb -0.22 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 31.83 1rr9 s GLU 614 CO 0.23 0.56 -0.00 0.95 0.02 0.00 0.00 175.26 177.02 1rr9 s THR 615 N -0.60 0.37 -0.15 3.63 -4.23 -0.38 -0.58 115.64 113.70 1rr9 s THR 615 Ca 0.09 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1rr9 s THR 615 Cb -0.11 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 1rr9 s THR 615 CO 0.00 0.25 0.01 0.00 -0.54 0.00 0.00 174.62 174.34 1rr9 s ALA 616 N 1.79 3.23 -0.59 3.99 0.00 0.20 0.08 121.76 130.46 1rr9 s ALA 616 Ca 0.02 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1rr9 s ALA 616 Cb -0.13 -1.69 0.16 0.00 0.00 0.00 0.00 23.12 21.46 1rr9 s ALA 616 CO -0.04 0.27 0.41 0.00 0.00 0.00 0.00 175.76 176.40 1rr9 s VAL 618 N -0.80 5.23 0.20 0.00 -7.23 -0.17 -4.85 120.40 112.78 1rr9 s VAL 618 Ca 0.25 -0.90 -0.33 0.00 -1.81 0.00 0.00 61.98 59.19 1rr9 s VAL 618 Cb -0.08 -3.79 -0.14 0.00 0.56 0.00 0.00 36.38 32.94 1rr9 s VAL 618 CO -0.13 -0.24 1.45 -2.65 -0.31 0.00 0.00 175.10 173.22 1rr9 n PRO 619 N -1.06 1.97 0.00 4.82 -0.02 -1.26 0.56 135.00 140.00 1rr9 n PRO 619 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1rr9 n PRO 619 Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1rr9 n PRO 619 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rr9 n GLY 620 N 2.63 2.09 0.07 -1.23 0.00 -0.96 -4.49 105.19 103.29 1rr9 n GLY 620 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1rr9 n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rr9 n LYS 621 N 0.00 1.81 -0.65 1.61 4.76 -1.26 -3.02 118.16 121.41 1rr9 n LYS 621 Ca 0.00 -1.26 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1rr9 n LYS 621 Cb 0.00 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1rr9 n LYS 621 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rr9 n GLY 622 N -0.24 0.58 3.49 0.72 0.00 0.22 -4.62 105.19 105.32 1rr9 n GLY 622 Ca 0.01 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1rr9 n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rr9 s LYS 623 N -0.75 3.11 -0.25 1.61 1.02 -1.22 -4.99 119.74 118.29 1rr9 s LYS 623 Ca 0.00 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.31 1rr9 s LYS 623 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1rr9 s LYS 623 CO 0.00 0.43 0.08 -1.17 -0.92 0.00 0.00 175.35 173.77 1rr9 s LEU 624 N -0.19 3.50 -0.04 3.17 2.96 -1.26 -0.42 118.68 126.41 1rr9 s LEU 624 Ca 0.02 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1rr9 s LEU 624 Cb -0.13 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1rr9 s LEU 624 CO 0.03 -0.02 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.91 1rr9 s THR 625 N 1.55 2.25 -0.03 3.68 2.01 0.18 -4.99 115.64 120.29 1rr9 s THR 625 Ca 0.06 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1rr9 s THR 625 Cb -0.15 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1rr9 s THR 625 CO 0.04 0.58 0.06 -0.72 -0.69 0.00 0.00 174.62 173.89 1rr9 s TYR 626 N -0.50 -0.03 0.24 4.92 -0.85 -1.26 0.32 117.35 120.19 1rr9 s TYR 626 Ca 0.07 0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.83 1rr9 s TYR 626 Cb -0.11 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.04 1rr9 s TYR 626 CO 0.01 -0.10 0.22 0.95 -1.52 0.00 0.00 175.55 175.10 1rr9 s THR 627 N 0.92 0.00 0.00 -3.49 -4.23 0.31 -4.96 115.64 104.19 1rr9 s THR 627 Ca -0.07 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1rr9 s THR 627 Cb -0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1rr9 s THR 627 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1rr9 n GLY 628 N -0.37 1.22 3.70 3.99 0.00 -1.26 -1.51 105.19 110.97 1rr9 n GLY 628 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1rr9 n GLY 628 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rr9 n SER 629 N 0.00 -2.18 -4.73 1.61 7.64 -1.24 -4.63 113.62 110.10 1rr9 n SER 629 Ca 0.00 -0.88 -0.39 0.00 1.01 0.00 0.00 58.87 58.61 1rr9 n SER 629 Cb 0.00 -3.86 -0.05 0.00 -1.01 0.00 0.00 64.21 59.29 1rr9 n SER 629 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rr9 s LEU 630 N -6.59 4.34 0.84 -3.43 1.43 -1.26 -1.69 118.68 112.33 1rr9 s LEU 630 Ca 0.12 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 1rr9 s LEU 630 Cb -0.04 -2.99 0.10 0.00 0.03 0.00 0.00 46.19 43.30 1rr9 s LEU 630 CO 0.83 -0.04 1.11 -0.83 0.23 0.00 0.00 176.35 177.65 1rr9 s GLY 631 N 0.50 1.60 0.25 -3.19 0.00 0.27 -4.82 107.32 101.94 1rr9 s GLY 631 Ca 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.70 1rr9 s GLY 631 CO 0.17 0.15 1.80 -2.09 0.00 0.00 0.00 173.10 173.14 1rr9 h GLU 632 N -1.26 0.76 -0.21 2.90 4.57 -1.97 -1.45 114.58 117.92 1rr9 h GLU 632 Ca -0.48 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 57.52 1rr9 h GLU 632 Cb 1.29 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1rr9 h GLU 632 CO 0.60 0.50 -0.41 0.28 -1.18 0.00 0.00 179.01 178.80 1rr9 h VAL 633 N 0.78 1.30 0.00 0.32 2.07 -1.93 -1.97 116.25 116.83 1rr9 h VAL 633 Ca 0.41 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 1rr9 h VAL 633 Cb 0.42 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1rr9 h VAL 633 CO -0.27 0.49 -0.48 -0.03 0.02 0.00 0.00 177.57 177.30 1rr9 h MET 634 N 0.40 0.00 -0.23 1.57 1.85 -1.41 -2.30 114.93 114.81 1rr9 h MET 634 Ca 0.03 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.98 1rr9 h MET 634 Cb 0.89 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.91 1rr9 h MET 634 CO 0.08 0.48 -0.45 1.96 -0.40 0.00 0.00 176.91 178.58 1rr9 h GLN 635 N 0.00 0.58 0.00 0.39 4.20 -0.95 -2.78 115.11 116.55 1rr9 h GLN 635 Ca -0.00 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 1rr9 h GLN 635 Cb 1.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1rr9 h GLN 635 CO 0.06 0.91 -0.33 0.93 -0.67 0.00 0.00 178.83 179.74 1rr9 h GLU 636 N 0.47 0.00 0.00 1.46 5.08 -1.08 -2.61 114.58 117.91 1rr9 h GLU 636 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1rr9 h GLU 636 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1rr9 h GLU 636 CO 0.09 0.33 -0.24 0.66 -1.00 0.00 0.00 179.01 178.85 1rr9 h SER 637 N 0.00 0.00 -0.02 1.42 4.64 -1.25 -0.11 113.55 118.23 1rr9 h SER 637 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1rr9 h SER 637 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1rr9 h SER 637 CO 0.04 0.22 -0.25 0.40 -0.87 0.00 0.00 176.83 176.38 1rr9 h ILE 638 N 0.00 1.51 -0.54 0.95 2.04 -1.34 -1.03 117.51 119.10 1rr9 h ILE 638 Ca -0.00 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 64.02 1rr9 h ILE 638 Cb 1.17 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.86 1rr9 h ILE 638 CO 0.03 0.51 0.33 1.56 0.00 0.00 0.00 178.15 180.58 1rr9 h GLN 639 N -0.44 0.64 -0.59 2.37 4.20 -1.40 -0.76 115.11 119.12 1rr9 h GLN 639 Ca -0.03 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1rr9 h GLN 639 Cb 0.97 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1rr9 h GLN 639 CO 0.05 0.42 0.16 0.00 -0.67 0.00 0.00 178.83 178.79 1rr9 h ALA 640 N 1.24 1.16 -0.46 3.87 0.00 -1.04 -1.76 119.26 122.27 1rr9 h ALA 640 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1rr9 h ALA 640 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1rr9 h ALA 640 CO -0.09 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.74 1rr9 h ALA 641 N 1.29 1.17 -0.03 0.00 0.00 -0.32 -2.22 119.26 119.15 1rr9 h ALA 641 Ca 0.19 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1rr9 h ALA 641 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rr9 h ALA 641 CO -0.00 0.54 -0.72 1.25 0.00 0.00 0.00 179.25 180.32 1rr9 h LEU 642 N 0.70 0.68 -2.82 0.00 5.85 -0.94 -2.95 115.31 115.83 1rr9 h LEU 642 Ca 0.14 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 1rr9 h LEU 642 Cb 0.41 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1rr9 h LEU 642 CO 0.02 1.31 -0.00 0.74 -0.34 0.00 0.00 178.44 180.17 1rr9 h THR 643 N 0.12 0.04 0.10 1.05 2.02 -1.21 -0.06 112.91 114.97 1rr9 h THR 643 Ca -0.08 -0.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.78 1rr9 h THR 643 Cb 1.40 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1rr9 h THR 643 CO 0.14 0.00 -1.16 0.58 0.37 0.00 0.00 175.52 175.45 1rr9 h VAL 644 N 0.00 1.42 0.00 3.16 2.07 -1.23 -2.22 116.25 119.45 1rr9 h VAL 644 Ca -0.00 -2.75 -0.05 0.00 0.82 0.00 0.00 66.70 64.71 1rr9 h VAL 644 Cb 0.05 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1rr9 h VAL 644 CO 0.00 0.82 -0.50 -0.37 0.02 0.00 0.00 177.57 177.53 1rr9 h VAL 645 N 0.16 0.32 0.38 2.57 -1.51 -1.25 -2.79 116.25 114.12 1rr9 h VAL 645 Ca -0.13 -1.48 -0.02 0.00 -1.23 0.00 0.00 66.70 63.83 1rr9 h VAL 645 Cb 1.85 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 33.05 1rr9 h VAL 645 CO 0.20 0.18 -0.18 -0.09 -1.23 0.00 0.00 177.57 176.45 1rr9 h ARG 646 N 0.00 -0.49 0.00 5.19 9.65 -1.06 0.18 114.38 127.85 1rr9 h ARG 646 Ca -0.02 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1rr9 h ARG 646 Cb 1.18 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1rr9 h ARG 646 CO 0.03 -0.20 0.00 0.00 2.80 0.00 0.00 179.97 182.60 1rr9 h ALA 647 N -0.25 1.00 0.00 2.80 0.00 -1.44 -2.87 119.26 118.50 1rr9 h ALA 647 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rr9 h ALA 647 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1rr9 h ALA 647 CO 0.08 0.00 -0.31 0.54 0.00 0.00 0.00 179.25 179.57 1rr9 n ARG 648 N -2.52 1.15 -0.00 0.00 1.74 -1.05 -4.85 116.66 111.13 1rr9 n ARG 648 Ca -0.00 -2.62 -0.10 0.00 -0.77 0.00 0.00 57.85 54.36 1rr9 n ARG 648 Cb 0.15 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1rr9 n ARG 648 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rr9 h ALA 649 N 0.42 0.04 -0.14 7.54 0.00 -0.41 -2.31 119.26 124.41 1rr9 h ALA 649 Ca -0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rr9 h ALA 649 Cb 1.11 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1rr9 h ALA 649 CO 0.01 -0.52 -0.03 1.49 0.00 0.00 0.00 179.25 180.20 1rr9 h GLU 650 N -0.05 0.00 0.00 0.00 4.57 -1.85 0.45 114.58 117.70 1rr9 h GLU 650 Ca 0.07 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1rr9 h GLU 650 Cb 0.15 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1rr9 h GLU 650 CO -0.15 0.00 -0.05 0.87 -1.18 0.00 0.00 179.01 178.50 1rr9 h LYS 651 N 0.00 0.00 -0.16 1.92 1.57 -1.87 -0.32 116.57 117.71 1rr9 h LYS 651 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1rr9 h LYS 651 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1rr9 h LYS 651 CO -0.14 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.07 1rr9 n LEU 652 N -3.71 1.86 -0.60 2.94 4.32 -0.60 -4.91 117.00 116.30 1rr9 n LEU 652 Ca -0.02 -0.75 -0.07 0.00 -0.02 0.00 0.00 56.01 55.14 1rr9 n LEU 652 Cb 0.15 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 41.83 1rr9 n LEU 652 CO 0.28 0.38 -0.07 0.61 -1.22 0.00 0.00 177.39 177.37 1rr9 n GLY 653 N 1.18 0.74 3.80 -0.72 0.00 -0.13 -4.98 105.19 105.07 1rr9 n GLY 653 Ca 0.17 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1rr9 n GLY 653 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rr9 s ILE 654 N -2.28 5.17 0.07 -0.61 1.01 0.15 -4.99 121.20 119.72 1rr9 s ILE 654 Ca 0.00 0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.41 1rr9 s ILE 654 Cb 0.00 -3.26 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 1rr9 s ILE 654 CO 0.00 0.58 1.77 -3.20 0.00 0.00 0.00 174.94 174.09 1rr9 n ASN 655 N 2.35 3.56 0.28 3.58 4.05 -1.26 -3.31 115.26 124.50 1rr9 n ASN 655 Ca -0.19 1.01 0.15 0.00 0.45 0.00 0.00 54.58 56.00 1rr9 n ASN 655 Cb 0.54 -1.45 0.78 0.00 1.23 0.00 0.00 39.78 40.88 1rr9 n ASN 655 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1rr9 h PRO 656 N 7.96 0.00 -0.45 1.20 0.11 -1.96 -1.01 132.00 137.85 1rr9 h PRO 656 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.34 1rr9 h PRO 656 Cb 1.25 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.14 1rr9 h PRO 656 CO 0.93 0.00 -0.44 -0.25 -0.21 0.00 0.00 178.00 178.03 1rr9 n ASP 657 N -2.69 3.58 -0.21 -2.05 10.43 -1.26 -4.75 116.55 119.61 1rr9 n ASP 657 Ca -0.02 -3.81 -0.09 0.00 2.57 0.00 0.00 54.79 53.43 1rr9 n ASP 657 Cb 0.28 -0.51 0.02 0.00 1.84 0.00 0.00 41.12 42.75 1rr9 n ASP 657 CO 0.00 0.00 0.00 2.19 -1.07 0.00 0.00 177.20 178.32 1rr9 h PHE 658 N 1.54 1.14 0.00 1.24 -5.15 -1.55 -3.07 116.94 111.10 1rr9 h PHE 658 Ca 0.24 -0.20 -0.03 0.00 -0.20 0.00 0.00 57.97 57.78 1rr9 h PHE 658 Cb 1.35 -0.30 -0.00 0.00 0.22 0.00 0.00 35.95 37.22 1rr9 h PHE 658 CO 0.91 1.02 -0.16 -0.92 -2.00 0.00 0.00 178.31 177.16 1rr9 h TYR 659 N 0.94 0.00 0.00 6.09 -0.00 -1.85 -2.72 116.97 119.43 1rr9 h TYR 659 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.87 1rr9 h TYR 659 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.29 1rr9 h TYR 659 CO 0.04 0.16 -0.11 1.49 -0.00 0.00 0.00 178.16 179.74 1rr9 h GLU 660 N 0.00 0.00 -0.35 1.82 4.81 -1.83 -2.94 114.58 116.08 1rr9 h GLU 660 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1rr9 h GLU 660 Cb 0.51 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 29.51 1rr9 h GLU 660 CO 0.02 0.11 -1.02 0.36 -0.73 0.00 0.00 179.01 177.75 1rr9 n LYS 661 N -3.91 1.60 -3.89 1.92 2.85 -1.07 -4.33 118.16 111.34 1rr9 n LYS 661 Ca -0.02 -3.25 -0.11 0.00 -1.05 0.00 0.00 58.31 53.88 1rr9 n LYS 661 Cb 0.20 -1.34 -0.12 0.00 -0.65 0.00 0.00 35.03 33.12 1rr9 n LYS 661 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1rr9 s ARG 662 N -2.88 0.20 -0.09 -1.58 6.06 -1.05 -2.27 118.95 117.34 1rr9 s ARG 662 Ca 0.33 -0.17 0.02 0.00 -2.50 0.00 0.00 55.73 53.40 1rr9 s ARG 662 Cb 0.35 0.08 -0.02 0.00 0.06 0.00 0.00 34.95 35.43 1rr9 s ARG 662 CO -0.06 -0.04 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.05 1rr9 s ASP 663 N -0.59 3.99 -0.18 -2.12 1.01 0.19 0.69 116.67 119.66 1rr9 s ASP 663 Ca -0.07 -0.28 -0.02 0.00 0.71 0.00 0.00 52.55 52.90 1rr9 s ASP 663 Cb -0.04 -1.28 -0.01 0.00 1.01 0.00 0.00 42.92 42.60 1rr9 s ASP 663 CO 0.00 0.24 -0.09 -0.63 0.21 0.00 0.00 175.17 174.90 1rr9 s ILE 664 N -0.11 3.14 -0.21 0.77 -1.09 0.44 -0.99 121.20 123.15 1rr9 s ILE 664 Ca -0.02 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 1rr9 s ILE 664 Cb -0.14 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.39 1rr9 s ILE 664 CO 0.04 0.48 -0.14 -2.28 -1.23 0.00 0.00 174.94 171.80 1rr9 s HIS 665 N 0.95 2.92 -0.23 3.97 5.65 0.17 0.51 115.29 129.23 1rr9 s HIS 665 Ca -0.01 -1.63 -0.06 0.00 0.25 0.00 0.00 55.06 53.61 1rr9 s HIS 665 Cb -0.15 -1.97 -0.02 0.00 -1.18 0.00 0.00 32.58 29.26 1rr9 s HIS 665 CO -0.00 -0.77 0.03 0.08 -0.65 0.00 0.00 174.74 173.43 1rr9 s VAL 666 N 1.30 4.03 -0.06 0.89 1.01 0.15 0.62 120.40 128.33 1rr9 s VAL 666 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1rr9 s VAL 666 Cb -0.15 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1rr9 s VAL 666 CO -0.09 0.38 -0.11 -2.28 0.00 0.00 0.00 175.10 173.00 1rr9 s HIS 667 N 1.42 1.40 -0.53 5.22 5.04 0.26 -0.53 115.29 127.57 1rr9 s HIS 667 Ca 0.05 -0.51 -0.02 0.00 -1.54 0.00 0.00 55.06 53.03 1rr9 s HIS 667 Cb -0.15 -1.04 0.14 0.00 0.04 0.00 0.00 32.58 31.57 1rr9 s HIS 667 CO 0.02 -0.28 0.33 0.08 -2.34 0.00 0.00 174.74 172.55 1rr9 s VAL 668 N 0.72 3.46 0.89 0.89 1.01 -0.57 -1.35 120.40 125.45 1rr9 s VAL 668 Ca -0.14 -2.63 -0.16 0.00 0.00 0.00 0.00 61.98 59.05 1rr9 s VAL 668 Cb -0.16 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 1rr9 s VAL 668 CO 0.03 -0.80 -0.70 -2.65 0.00 0.00 0.00 175.10 170.98 1rr9 n PRO 669 N 3.89 0.00 -1.27 2.72 -0.02 -1.25 -4.29 135.00 134.78 1rr9 n PRO 669 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1rr9 n PRO 669 Cb 0.39 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1rr9 n PRO 669 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rr9 n GLU 670 N 2.24 0.00 -0.16 -0.52 4.07 -1.26 -4.84 120.64 120.16 1rr9 n GLU 670 Ca -0.01 0.00 0.22 0.00 -0.06 0.00 0.00 57.16 57.31 1rr9 n GLU 670 Cb 0.51 -1.39 0.62 0.00 -0.06 0.00 0.00 31.44 31.12 1rr9 n GLU 670 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1rr9 h GLY 671 N 0.00 0.37 1.63 8.31 0.00 -1.87 -1.69 103.07 109.83 1rr9 h GLY 671 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 1rr9 h GLY 671 CO 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 176.54 175.71 1rr9 h ALA 672 N 1.62 0.65 -1.99 3.60 0.00 -1.93 -3.28 119.26 117.93 1rr9 h ALA 672 Ca 0.40 -0.59 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 1rr9 h ALA 672 Cb 1.29 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1rr9 h ALA 672 CO -0.08 0.73 1.07 0.99 0.00 0.00 0.00 179.25 181.97 1rr9 s THR 673 N -2.95 3.86 0.47 0.00 2.01 -0.64 -4.93 115.64 113.46 1rr9 s THR 673 Ca 0.01 0.96 -0.24 0.00 0.31 0.00 0.00 61.69 62.73 1rr9 s THR 673 Cb 0.08 -3.89 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 1rr9 s THR 673 CO 0.77 -0.39 1.38 -2.84 -0.69 0.00 0.00 174.62 172.85 1rr9 s PRO 674 N 4.54 3.58 0.08 4.92 0.02 -1.26 -4.64 135.00 142.23 1rr9 s PRO 674 Ca 0.66 2.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.90 1rr9 s PRO 674 Cb -0.21 -2.55 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 1rr9 s PRO 674 CO 0.27 -0.86 0.16 0.15 -0.33 0.00 0.00 177.00 176.39 1rr9 s LYS 675 N -2.56 0.79 0.04 5.54 1.02 -0.68 0.55 119.74 124.45 1rr9 s LYS 675 Ca 0.63 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 1rr9 s LYS 675 Cb -0.41 0.31 0.09 0.00 -0.52 0.00 0.00 37.83 37.31 1rr9 s LYS 675 CO 0.52 -0.23 1.21 0.34 -0.92 0.00 0.00 175.35 176.26 1rr9 s ASP 676 N -2.77 -0.01 0.00 2.83 -1.08 -0.75 -0.56 116.67 114.32 1rr9 s ASP 676 Ca 0.04 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 1rr9 s ASP 676 Cb 0.05 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.76 1rr9 s ASP 676 CO -0.10 -0.50 0.00 0.61 0.52 0.00 0.00 175.17 175.70 1rr9 n GLY 677 N -0.76 1.57 0.01 2.66 0.00 -1.26 -3.87 105.19 103.54 1rr9 n GLY 677 Ca -0.01 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1rr9 n GLY 677 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rr9 n PRO 678 N 1.82 0.17 0.06 1.61 -0.04 -1.26 -3.19 135.00 134.16 1rr9 n PRO 678 Ca 0.00 -0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1rr9 n PRO 678 Cb 0.00 -1.53 0.15 0.00 -0.04 0.00 0.00 33.50 32.07 1rr9 n PRO 678 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rr9 n ALA 679 N -1.69 0.71 1.07 0.55 0.00 -1.26 -0.95 120.51 118.94 1rr9 n ALA 679 Ca 0.03 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1rr9 n ALA 679 Cb 0.39 -0.78 0.10 0.00 0.00 0.00 0.00 19.45 19.16 1rr9 n ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr9 n ALA 680 N -1.45 3.41 -0.16 0.00 0.00 -1.26 -0.79 120.51 120.26 1rr9 n ALA 680 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 1rr9 n ALA 680 Cb 0.18 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1rr9 n ALA 680 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rr9 h GLY 681 N 4.87 -1.57 1.12 0.00 0.00 -0.94 -0.52 103.07 106.03 1rr9 h GLY 681 Ca 0.00 0.88 0.11 0.00 0.00 0.00 0.00 47.33 48.32 1rr9 h GLY 681 CO 0.00 -0.42 0.34 0.16 0.00 0.00 0.00 176.54 176.62 1rr9 h ILE 682 N -0.10 0.83 -0.09 2.60 3.07 -1.71 -0.11 117.51 122.00 1rr9 h ILE 682 Ca 0.07 -0.05 -0.18 0.00 1.55 0.00 0.00 64.86 66.24 1rr9 h ILE 682 Cb 0.28 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.48 1rr9 h ILE 682 CO -0.44 0.03 -0.70 0.00 -1.05 0.00 0.00 178.15 175.99 1rr9 h ALA 683 N 1.76 0.62 -0.68 0.16 0.00 -1.53 -1.13 119.26 118.46 1rr9 h ALA 683 Ca 0.23 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1rr9 h ALA 683 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1rr9 h ALA 683 CO -0.03 0.75 0.14 0.52 0.00 0.00 0.00 179.25 180.62 1rr9 h MET 684 N 0.29 1.10 -0.27 0.00 2.86 0.47 0.18 114.93 119.56 1rr9 h MET 684 Ca -0.02 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 1rr9 h MET 684 Cb 1.27 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1rr9 h MET 684 CO 0.12 0.99 -0.22 0.00 1.06 0.00 0.00 176.91 178.86 1rr9 h THR 686 N 0.46 1.42 -0.28 0.00 2.02 -0.85 -1.43 112.91 114.25 1rr9 h THR 686 Ca 0.07 -2.40 -0.11 0.00 0.77 0.00 0.00 66.41 64.74 1rr9 h THR 686 Cb 0.64 2.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1rr9 h THR 686 CO 0.05 0.71 -0.26 0.00 0.37 0.00 0.00 175.52 176.39 1rr9 h ALA 687 N 0.87 0.41 0.41 6.16 0.00 -0.66 -1.82 119.26 124.63 1rr9 h ALA 687 Ca -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1rr9 h ALA 687 Cb 1.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1rr9 h ALA 687 CO 0.14 0.40 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 1rr9 h LEU 688 N 0.41 -0.47 -0.58 0.00 3.38 -0.95 -0.94 115.31 116.15 1rr9 h LEU 688 Ca 0.05 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1rr9 h LEU 688 Cb 0.82 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1rr9 h LEU 688 CO 0.07 -0.22 -0.05 0.58 0.09 0.00 0.00 178.44 178.91 1rr9 h VAL 689 N -0.70 0.48 -0.49 1.22 2.07 -1.30 -1.21 116.25 116.32 1rr9 h VAL 689 Ca -0.06 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1rr9 h VAL 689 Cb 0.50 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1rr9 h VAL 689 CO 0.09 0.01 0.32 -1.28 0.02 0.00 0.00 177.57 176.73 1rr9 h SER 690 N 0.07 0.54 0.16 0.57 0.87 -1.18 -2.01 113.55 112.58 1rr9 h SER 690 Ca 0.29 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1rr9 h SER 690 Cb 0.47 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1rr9 h SER 690 CO -0.53 0.39 -0.08 0.00 -0.53 0.00 0.00 176.83 176.08 1rr9 h LEU 692 N -0.35 0.00 -0.93 0.00 3.38 -1.18 -3.16 115.31 113.07 1rr9 h LEU 692 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rr9 h LEU 692 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rr9 h LEU 692 CO 0.04 0.02 -0.07 0.35 0.09 0.00 0.00 178.44 178.87 1rr9 n THR 693 N -3.14 0.00 -0.12 0.22 -2.24 -0.76 -4.97 114.28 103.26 1rr9 n THR 693 Ca -0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1rr9 n THR 693 Cb 0.23 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1rr9 n THR 693 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rr9 n GLY 694 N 0.55 2.01 3.61 3.38 0.00 -0.15 -4.96 105.19 109.62 1rr9 n GLY 694 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1rr9 n GLY 694 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rr9 s ASN 695 N -3.37 6.11 0.55 1.61 3.04 -1.18 -4.97 114.94 116.72 1rr9 s ASN 695 Ca 0.00 1.29 -0.21 0.00 0.04 0.00 0.00 52.86 53.99 1rr9 s ASN 695 Cb 0.00 -2.53 -0.05 0.00 -1.54 0.00 0.00 41.25 37.13 1rr9 s ASN 695 CO 0.00 -1.53 1.26 -2.16 -3.04 0.00 0.00 177.10 171.62 1rr9 s PRO 696 N 5.25 3.20 0.09 0.43 0.04 -1.26 -4.53 135.00 138.22 1rr9 s PRO 696 Ca 0.74 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 63.52 1rr9 s PRO 696 Cb -0.21 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1rr9 s PRO 696 CO 0.32 -1.06 0.73 0.08 0.04 0.00 0.00 177.00 177.12 1rr9 s VAL 697 N -1.46 4.60 0.68 -0.36 1.01 -1.26 -1.72 120.40 121.88 1rr9 s VAL 697 Ca 0.72 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 64.12 1rr9 s VAL 697 Cb -0.34 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1rr9 s VAL 697 CO 0.39 0.45 1.24 -0.13 0.00 0.00 0.00 175.10 177.06 1rr9 s ARG 698 N -0.62 2.41 0.68 2.72 0.52 -0.07 -4.85 118.95 119.73 1rr9 s ARG 698 Ca 0.36 1.90 -0.05 0.00 -0.52 0.00 0.00 55.73 57.42 1rr9 s ARG 698 Cb -0.21 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.47 1rr9 s ARG 698 CO 0.23 -1.66 0.97 0.00 0.02 0.00 0.00 175.30 174.86 1rr9 s ALA 699 N -1.68 3.30 -1.30 2.13 0.00 -1.26 -4.07 121.76 118.88 1rr9 s ALA 699 Ca 0.78 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1rr9 s ALA 699 Cb -0.33 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1rr9 s ALA 699 CO 0.41 -1.22 0.00 -0.40 0.00 0.00 0.00 175.76 174.56 1rr9 n ASP 700 N -2.82 -3.76 -4.19 0.00 5.68 -1.26 -4.91 116.55 105.29 1rr9 n ASP 700 Ca 0.08 0.26 -0.30 0.00 -0.50 0.00 0.00 54.79 54.33 1rr9 n ASP 700 Cb 0.60 -3.36 -0.17 0.00 -1.14 0.00 0.00 41.12 37.05 1rr9 n ASP 700 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1rr9 s VAL 701 N -2.35 1.86 0.08 2.12 1.01 -1.26 0.43 120.40 122.29 1rr9 s VAL 701 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1rr9 s VAL 701 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1rr9 s VAL 701 CO 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 1rr9 s ALA 702 N 0.25 0.97 0.02 5.51 0.00 0.14 -4.24 121.76 124.42 1rr9 s ALA 702 Ca -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1rr9 s ALA 702 Cb -0.16 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1rr9 s ALA 702 CO 0.06 0.01 0.05 0.00 0.00 0.00 0.00 175.76 175.88 1rr9 s MET 703 N -2.27 0.46 -0.04 0.00 0.23 -0.69 0.16 119.30 117.15 1rr9 s MET 703 Ca -0.00 -0.65 -0.03 0.00 -1.03 0.00 0.00 55.69 53.98 1rr9 s MET 703 Cb -0.06 0.18 0.02 0.00 -1.53 0.00 0.00 34.83 33.44 1rr9 s MET 703 CO 0.00 -0.10 0.11 -0.08 -2.03 0.00 0.00 175.02 172.92 1rr9 s THR 704 N -1.97 -0.02 0.00 3.16 -1.32 0.61 -1.61 115.64 114.48 1rr9 s THR 704 Ca -0.11 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1rr9 s THR 704 Cb -0.05 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1rr9 s THR 704 CO -0.02 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1rr9 n GLY 705 N 3.58 3.00 3.74 6.08 0.00 0.03 -3.70 105.19 117.92 1rr9 n GLY 705 Ca -0.19 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1rr9 n GLY 705 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rr9 s GLU 706 N -1.48 4.35 -0.02 1.61 2.12 -0.80 -2.23 118.70 122.25 1rr9 s GLU 706 Ca 0.00 0.69 -0.05 0.00 0.36 0.00 0.00 54.97 55.97 1rr9 s GLU 706 Cb 0.00 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1rr9 s GLU 706 CO 0.00 0.23 0.21 -1.50 -0.54 0.00 0.00 175.26 173.66 1rr9 s ILE 707 N 0.29 5.39 0.34 -3.70 1.10 -1.26 0.49 121.20 123.85 1rr9 s ILE 707 Ca 0.31 0.05 0.09 0.00 -0.51 0.00 0.00 60.65 60.60 1rr9 s ILE 707 Cb -0.17 -3.52 -0.05 0.00 0.15 0.00 0.00 42.46 38.86 1rr9 s ILE 707 CO 0.16 0.40 -0.00 0.42 -2.11 0.00 0.00 174.94 173.81 1rr9 s THR 708 N -1.25 2.60 0.30 4.00 -4.23 -1.05 -4.94 115.64 111.08 1rr9 s THR 708 Ca 0.25 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1rr9 s THR 708 Cb -0.13 -2.78 0.10 0.00 1.34 0.00 0.00 72.50 71.04 1rr9 s THR 708 CO 0.15 -0.21 1.78 -0.07 -0.54 0.00 0.00 174.62 175.73 1rr9 h LEU 709 N 1.84 0.47 0.00 4.79 3.38 -1.90 -1.62 115.31 122.27 1rr9 h LEU 709 Ca -0.43 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1rr9 h LEU 709 Cb 1.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1rr9 h LEU 709 CO 0.67 0.66 0.00 -2.11 0.09 0.00 0.00 178.44 177.75 1rr9 n ARG 710 N -4.18 0.35 -0.64 1.13 1.85 -1.26 -4.85 116.66 109.06 1rr9 n ARG 710 Ca 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1rr9 n ARG 710 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1rr9 n ARG 710 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rr9 n GLY 711 N 0.31 0.71 3.76 2.89 0.00 -0.61 -4.99 105.19 107.27 1rr9 n GLY 711 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1rr9 n GLY 711 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rr9 s GLN 712 N -0.36 4.55 -0.26 1.61 0.74 -1.26 -0.86 119.66 123.82 1rr9 s GLN 712 Ca 0.00 1.14 -0.19 0.00 0.05 0.00 0.00 55.36 56.36 1rr9 s GLN 712 Cb 0.00 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 1rr9 s GLN 712 CO 0.00 0.46 0.56 0.08 -0.55 0.00 0.00 175.29 175.84 1rr9 s VAL 713 N -0.74 5.04 -0.03 1.34 1.01 0.89 -2.52 120.40 125.39 1rr9 s VAL 713 Ca 0.37 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 1rr9 s VAL 713 Cb -0.22 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1rr9 s VAL 713 CO 0.25 0.06 0.16 -0.76 0.00 0.00 0.00 175.10 174.81 1rr9 s LEU 714 N 2.38 4.28 0.29 3.92 2.01 0.18 -4.63 118.68 127.11 1rr9 s LEU 714 Ca 0.23 0.33 -0.29 0.00 0.01 0.00 0.00 54.13 54.40 1rr9 s LEU 714 Cb -0.16 -2.46 -0.13 0.00 0.01 0.00 0.00 46.19 43.45 1rr9 s LEU 714 CO 0.09 0.29 1.33 -2.65 1.01 0.00 0.00 176.35 176.41 1rr9 n PRO 715 N 1.16 2.04 -3.93 1.29 -0.02 -1.26 -1.90 135.00 132.37 1rr9 n PRO 715 Ca -0.13 0.72 -0.26 0.00 -2.02 0.00 0.00 63.50 61.81 1rr9 n PRO 715 Cb 0.53 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1rr9 n PRO 715 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1rr9 n ILE 716 N 1.07 0.00 -4.17 4.25 -6.64 -1.26 -4.79 119.36 107.82 1rr9 n ILE 716 Ca 0.08 -2.07 -0.27 0.00 -1.77 0.00 0.00 62.75 58.72 1rr9 n ILE 716 Cb 0.34 0.12 -0.05 0.00 -1.44 0.00 0.00 39.64 38.61 1rr9 n ILE 716 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1rr9 s GLY 717 N -3.84 2.52 -1.46 3.28 0.00 -1.26 -4.75 107.32 101.81 1rr9 s GLY 717 Ca 0.18 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.49 1rr9 s GLY 717 CO 0.11 -1.99 0.85 0.61 0.00 0.00 0.00 173.10 172.68 1rr9 n GLY 718 N -1.47 -0.51 0.32 0.20 0.00 -1.26 -4.89 105.19 97.58 1rr9 n GLY 718 Ca -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1rr9 n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rr9 h LEU 719 N -1.86 0.94 0.46 0.99 5.85 -1.97 -2.07 115.31 117.64 1rr9 h LEU 719 Ca -0.54 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1rr9 h LEU 719 Cb 1.36 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1rr9 h LEU 719 CO 0.60 0.66 -0.47 0.50 -0.34 0.00 0.00 178.44 179.38 1rr9 h LYS 720 N 1.10 -0.90 -0.98 1.25 3.64 -1.90 0.22 116.57 119.00 1rr9 h LYS 720 Ca 0.33 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.94 1rr9 h LYS 720 Cb -0.05 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 1rr9 h LYS 720 CO -0.10 -0.60 0.61 1.49 -2.27 0.00 0.00 179.45 178.59 1rr9 h GLU 721 N -0.93 0.72 -0.42 1.90 4.81 -1.92 0.15 114.58 118.89 1rr9 h GLU 721 Ca -0.06 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1rr9 h GLU 721 Cb 0.81 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1rr9 h GLU 721 CO -0.07 0.47 -0.08 0.87 -0.73 0.00 0.00 179.01 179.47 1rr9 h LYS 722 N 0.74 0.79 0.00 1.92 1.57 -0.84 -2.56 116.57 118.20 1rr9 h LYS 722 Ca 0.53 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 1rr9 h LYS 722 Cb 0.85 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1rr9 h LYS 722 CO -0.30 0.91 -0.74 -0.07 -0.57 0.00 0.00 179.45 178.68 1rr9 h LEU 723 N 0.62 0.00 -0.53 2.94 3.38 0.45 -2.70 115.31 119.47 1rr9 h LEU 723 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1rr9 h LEU 723 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rr9 h LEU 723 CO 0.04 0.74 0.13 -0.07 0.09 0.00 0.00 178.44 179.37 1rr9 h LEU 724 N 0.00 0.79 -0.45 1.67 3.38 -0.98 -0.64 115.31 119.09 1rr9 h LEU 724 Ca -0.01 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1rr9 h LEU 724 Cb 1.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1rr9 h LEU 724 CO 0.10 0.82 0.27 0.00 0.09 0.00 0.00 178.44 179.71 1rr9 h ALA 725 N 1.01 0.58 -0.66 1.53 0.00 -1.38 0.15 119.26 120.48 1rr9 h ALA 725 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rr9 h ALA 725 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rr9 h ALA 725 CO 0.00 -0.05 0.23 0.00 0.00 0.00 0.00 179.25 179.44 1rr9 h ALA 726 N 1.20 1.16 -0.04 0.00 0.00 -1.25 -1.64 119.26 118.68 1rr9 h ALA 726 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rr9 h ALA 726 Cb 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1rr9 h ALA 726 CO -0.08 0.59 0.00 1.25 0.00 0.00 0.00 179.25 181.01 1rr9 h HIS 727 N 0.97 0.08 0.00 0.00 6.17 -0.33 -0.46 115.15 121.58 1rr9 h HIS 727 Ca 0.22 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1rr9 h HIS 727 Cb 0.24 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1rr9 h HIS 727 CO 0.02 0.33 0.00 0.00 0.71 0.00 0.00 177.93 178.99 1rr9 h ARG 728 N -0.20 0.00 -0.32 5.26 3.08 -0.56 -2.41 114.38 119.22 1rr9 h ARG 728 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1rr9 h ARG 728 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1rr9 h ARG 728 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1rr9 n GLY 729 N -0.50 1.39 2.09 0.04 0.00 -0.63 -4.95 105.19 102.62 1rr9 n GLY 729 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1rr9 n GLY 729 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rr9 n GLY 730 N 1.42 0.58 3.73 -0.02 0.00 -0.91 -5.00 105.19 105.00 1rr9 n GLY 730 Ca 0.18 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1rr9 n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rr9 s ILE 731 N -2.08 3.45 -0.19 -0.61 -1.09 -0.21 -4.90 121.20 115.56 1rr9 s ILE 731 Ca 0.00 1.15 -0.20 0.00 -2.23 0.00 0.00 60.65 59.37 1rr9 s ILE 731 Cb 0.00 -3.73 -0.20 0.00 -1.58 0.00 0.00 42.46 36.94 1rr9 s ILE 731 CO 0.00 0.15 0.26 0.50 -1.23 0.00 0.00 174.94 174.61 1rr9 h LYS 732 N 5.82 0.04 -5.31 2.79 3.64 -1.68 -3.44 116.57 118.42 1rr9 h LYS 732 Ca -0.44 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.21 1rr9 h LYS 732 Cb 1.21 0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 32.74 1rr9 h LYS 732 CO 0.79 1.03 -0.85 0.99 -2.27 0.00 0.00 179.45 179.14 1rr9 s THR 733 N -2.38 2.30 0.00 1.00 2.01 0.17 -1.25 115.64 117.48 1rr9 s THR 733 Ca -0.28 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 60.87 1rr9 s THR 733 Cb 0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1rr9 s THR 733 CO 0.62 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 174.20 1rr9 s VAL 734 N 0.43 2.52 -0.19 3.82 1.01 -0.92 0.29 120.40 127.36 1rr9 s VAL 734 Ca -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 1rr9 s VAL 734 Cb -0.17 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1rr9 s VAL 734 CO 0.07 0.48 -0.09 -0.76 0.00 0.00 0.00 175.10 174.79 1rr9 s LEU 735 N -0.97 2.72 0.23 3.92 1.02 0.12 -1.67 118.68 124.05 1rr9 s LEU 735 Ca 0.12 -0.41 0.07 0.00 0.02 0.00 0.00 54.13 53.93 1rr9 s LEU 735 Cb -0.10 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 1rr9 s LEU 735 CO 0.02 0.04 -0.10 0.27 0.02 0.00 0.00 176.35 176.59 1rr9 s ILE 736 N 1.11 1.61 0.38 -0.59 -4.36 -1.01 -0.29 121.20 118.05 1rr9 s ILE 736 Ca 0.01 -2.16 -0.27 0.00 -0.26 0.00 0.00 60.65 57.97 1rr9 s ILE 736 Cb -0.15 -2.18 -0.09 0.00 1.25 0.00 0.00 42.46 41.29 1rr9 s ILE 736 CO -0.02 -0.49 1.28 -2.84 0.24 0.00 0.00 174.94 173.11 1rr9 s PRO 737 N -3.70 4.10 0.32 0.37 0.02 -1.24 -0.99 135.00 133.89 1rr9 s PRO 737 Ca 0.25 2.12 0.10 0.00 0.02 0.00 0.00 61.00 63.48 1rr9 s PRO 737 Cb 0.01 -2.84 0.89 0.00 0.02 0.00 0.00 34.50 32.58 1rr9 s PRO 737 CO 0.08 -0.36 1.72 0.35 -0.33 0.00 0.00 177.00 178.46 1rr9 h PHE 738 N 2.89 1.00 0.00 6.54 3.57 -0.87 -0.39 116.94 129.68 1rr9 h PHE 738 Ca -0.49 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1rr9 h PHE 738 Cb 1.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1rr9 h PHE 738 CO 0.54 0.05 0.00 0.39 -2.23 0.00 0.00 178.31 177.06 1rr9 n GLU 739 N -4.90 0.92 -0.11 1.11 1.02 -1.26 -2.90 120.64 114.51 1rr9 n GLU 739 Ca 0.27 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1rr9 n GLU 739 Cb 0.76 -1.10 0.14 0.00 -0.02 0.00 0.00 31.44 31.21 1rr9 n GLU 739 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rr9 n ASN 740 N -0.38 2.81 -0.10 1.62 5.03 -0.16 -4.51 115.26 119.57 1rr9 n ASN 740 Ca 0.00 -1.82 0.05 0.00 0.87 0.00 0.00 54.58 53.68 1rr9 n ASN 740 Cb 0.05 -0.15 0.38 0.00 -1.02 0.00 0.00 39.78 39.04 1rr9 n ASN 740 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1rr9 h LYS 741 N 3.16 0.66 0.00 3.52 1.57 -1.68 -0.93 116.57 122.88 1rr9 h LYS 741 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1rr9 h LYS 741 Cb 0.76 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1rr9 h LYS 741 CO 0.00 0.44 -0.21 0.00 -0.57 0.00 0.00 179.45 179.11 1rr9 h ARG 742 N 0.68 0.00 0.00 3.15 2.47 -1.86 -1.90 114.38 116.92 1rr9 h ARG 742 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1rr9 h ARG 742 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1rr9 h ARG 742 CO -0.06 0.21 0.00 -0.25 0.56 0.00 0.00 179.97 180.43 1rr9 n ASP 743 N -4.14 0.60 0.17 7.04 8.00 -0.36 -3.42 116.55 124.44 1rr9 n ASP 743 Ca -0.02 0.58 0.04 0.00 0.71 0.00 0.00 54.79 56.10 1rr9 n ASP 743 Cb 0.28 -0.74 0.44 0.00 -0.02 0.00 0.00 41.12 41.08 1rr9 n ASP 743 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rr9 h LEU 744 N 0.00 0.11 -1.39 0.64 3.38 -1.30 -2.89 115.31 113.87 1rr9 h LEU 744 Ca 0.00 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1rr9 h LEU 744 Cb 0.57 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1rr9 h LEU 744 CO 0.00 0.29 0.49 -0.33 0.09 0.00 0.00 178.44 178.98 1rr9 h GLU 745 N 0.12 0.68 -0.00 1.13 5.08 -1.72 -1.75 114.58 118.11 1rr9 h GLU 745 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1rr9 h GLU 745 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1rr9 h GLU 745 CO 0.02 0.45 -0.01 0.39 -1.00 0.00 0.00 179.01 178.87 1rr9 n GLU 746 N -4.49 0.97 -3.31 2.33 -0.58 -1.09 -4.82 120.64 109.64 1rr9 n GLU 746 Ca 0.12 -0.11 -0.38 0.00 -0.42 0.00 0.00 57.16 56.37 1rr9 n GLU 746 Cb 0.30 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 1rr9 n GLU 746 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rr9 s ILE 747 N -2.10 5.14 0.14 -3.67 1.01 -0.66 -5.01 121.20 116.04 1rr9 s ILE 747 Ca 0.43 0.99 -0.34 0.00 0.00 0.00 0.00 60.65 61.74 1rr9 s ILE 747 Cb 0.22 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.69 1rr9 s ILE 747 CO 0.38 0.36 1.09 -2.65 0.00 0.00 0.00 174.94 174.13 1rr9 n PRO 748 N 3.38 0.84 -0.36 2.79 -0.02 -1.26 -4.71 135.00 135.67 1rr9 n PRO 748 Ca -0.08 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1rr9 n PRO 748 Cb 0.52 -1.76 0.27 0.00 -0.02 0.00 0.00 33.50 32.51 1rr9 n PRO 748 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rr9 h ASP 749 N 3.14 0.87 -0.79 2.55 3.45 -1.95 -0.66 116.42 123.04 1rr9 h ASP 749 Ca -0.43 0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.05 1rr9 h ASP 749 Cb 1.37 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 40.00 1rr9 h ASP 749 CO 0.68 0.41 0.30 -0.55 -1.57 0.00 0.00 179.24 178.52 1rr9 h ASN 750 N 0.91 1.11 -0.27 6.45 -0.00 -1.99 0.30 115.58 122.09 1rr9 h ASN 750 Ca 0.53 -0.18 -0.04 0.00 -0.00 0.00 0.00 56.30 56.61 1rr9 h ASN 750 Cb 0.65 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 1rr9 h ASN 750 CO -0.31 0.99 0.03 0.58 -0.00 0.00 0.00 177.43 178.72 1rr9 h VAL 751 N 1.16 1.24 -0.73 6.14 2.07 -1.63 -1.80 116.25 122.70 1rr9 h VAL 751 Ca 0.26 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1rr9 h VAL 751 Cb 0.24 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1rr9 h VAL 751 CO -0.02 0.27 0.47 0.40 0.02 0.00 0.00 177.57 178.70 1rr9 h ILE 752 N 0.26 1.13 -0.17 4.57 1.08 -0.81 -1.82 117.51 121.74 1rr9 h ILE 752 Ca 0.08 -0.32 -0.11 0.00 -0.39 0.00 0.00 64.86 64.13 1rr9 h ILE 752 Cb 0.36 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1rr9 h ILE 752 CO 0.01 0.17 -0.35 0.00 -0.69 0.00 0.00 178.15 177.29 1rr9 h ALA 753 N 1.29 1.08 0.17 1.87 0.00 -0.20 -3.26 119.26 120.22 1rr9 h ALA 753 Ca 0.28 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1rr9 h ALA 753 Cb -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.69 1rr9 h ALA 753 CO -0.09 0.58 -1.07 -0.44 0.00 0.00 0.00 179.25 178.23 1rr9 h ASP 754 N 0.31 0.65 -3.71 0.00 3.45 -1.11 -3.46 116.42 112.55 1rr9 h ASP 754 Ca 0.04 -0.92 -0.50 0.00 0.43 0.00 0.00 57.03 56.08 1rr9 h ASP 754 Cb 0.77 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1rr9 h ASP 754 CO 0.06 1.51 0.44 -0.76 -1.57 0.00 0.00 179.24 178.92 1rr9 s LEU 755 N -7.82 4.56 -0.84 1.55 1.02 -0.71 -4.98 118.68 111.46 1rr9 s LEU 755 Ca -0.12 2.12 -0.13 0.00 0.02 0.00 0.00 54.13 56.02 1rr9 s LEU 755 Cb 0.03 -3.61 0.22 0.00 0.02 0.00 0.00 46.19 42.84 1rr9 s LEU 755 CO 0.88 -0.09 0.78 -0.62 0.02 0.00 0.00 176.35 177.33 1rr9 s ASP 756 N -0.70 6.77 -0.12 2.29 2.15 -0.38 -4.88 116.67 121.80 1rr9 s ASP 756 Ca 0.45 -2.76 -0.22 0.00 0.43 0.00 0.00 52.55 50.45 1rr9 s ASP 756 Cb -0.29 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1rr9 s ASP 756 CO 0.37 -0.55 0.64 -0.63 -0.17 0.00 0.00 175.17 174.83 1rr9 s ILE 757 N 0.05 5.06 -0.27 4.11 1.01 -1.26 -2.15 121.20 127.75 1rr9 s ILE 757 Ca 0.19 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.13 1rr9 s ILE 757 Cb -0.10 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.46 1rr9 s ILE 757 CO -0.09 0.21 -0.09 -1.00 0.00 0.00 0.00 174.94 173.98 1rr9 s HIS 758 N 1.16 3.29 -0.20 3.97 3.76 -0.67 -5.00 115.29 121.61 1rr9 s HIS 758 Ca 0.32 -2.30 -0.29 0.00 -0.15 0.00 0.00 55.06 52.64 1rr9 s HIS 758 Cb -0.16 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1rr9 s HIS 758 CO 0.14 -0.87 1.07 -2.14 -0.85 0.00 0.00 174.74 172.09 1rr9 s PRO 759 N 1.11 4.28 0.08 8.40 0.02 -1.26 -2.41 135.00 145.22 1rr9 s PRO 759 Ca -0.07 1.42 0.05 0.00 0.02 0.00 0.00 61.00 62.42 1rr9 s PRO 759 Cb -0.20 -3.64 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 1rr9 s PRO 759 CO -0.05 -0.59 -0.06 0.14 -0.33 0.00 0.00 177.00 176.11 1rr9 s VAL 760 N 3.06 3.62 -0.26 3.83 -7.23 -0.16 -4.64 120.40 118.62 1rr9 s VAL 760 Ca 0.46 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1rr9 s VAL 760 Cb -0.17 -2.67 -0.17 0.00 0.56 0.00 0.00 36.38 33.93 1rr9 s VAL 760 CO 0.09 0.18 -0.22 0.29 -0.31 0.00 0.00 175.10 175.14 1rr9 n LYS 761 N 0.88 0.65 -4.45 4.82 5.02 -1.26 -0.24 118.16 123.58 1rr9 n LYS 761 Ca -0.13 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1rr9 n LYS 761 Cb 0.52 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 1rr9 n LYS 761 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rr9 s ARG 762 N -2.52 1.60 0.36 1.97 1.81 -1.26 -0.08 118.95 120.83 1rr9 s ARG 762 Ca -0.35 -1.79 0.09 0.00 -1.72 0.00 0.00 55.73 51.97 1rr9 s ARG 762 Cb 0.09 -1.35 0.70 0.00 -0.45 0.00 0.00 34.95 33.93 1rr9 s ARG 762 CO 0.60 0.12 1.85 0.97 -0.68 0.00 0.00 175.30 178.17 1rr9 h ILE 763 N 2.26 1.22 -0.96 1.52 6.09 -1.34 -2.80 117.51 123.50 1rr9 h ILE 763 Ca -0.40 -1.01 0.10 0.00 -1.37 0.00 0.00 64.86 62.19 1rr9 h ILE 763 Cb 1.24 1.37 -0.07 0.00 0.47 0.00 0.00 36.82 39.82 1rr9 h ILE 763 CO 0.66 0.31 0.61 1.05 -3.07 0.00 0.00 178.15 177.71 1rr9 h GLU 764 N 0.20 0.94 -0.61 2.19 9.09 -1.97 -0.60 114.58 123.83 1rr9 h GLU 764 Ca 0.03 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.32 1rr9 h GLU 764 Cb 0.51 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 27.37 1rr9 h GLU 764 CO 0.03 0.62 0.11 0.93 0.05 0.00 0.00 179.01 180.76 1rr9 h GLU 765 N 0.97 1.00 -0.06 1.06 5.08 -1.90 -1.86 114.58 118.87 1rr9 h GLU 765 Ca 0.45 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1rr9 h GLU 765 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1rr9 h GLU 765 CO -0.21 0.94 0.00 0.28 -1.00 0.00 0.00 179.01 179.02 1rr9 h VAL 766 N 0.91 0.96 -0.49 3.13 2.07 -1.13 -0.65 116.25 121.06 1rr9 h VAL 766 Ca 0.19 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1rr9 h VAL 766 Cb 0.41 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1rr9 h VAL 766 CO 0.01 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.55 1rr9 h LEU 767 N 0.03 0.83 -0.26 2.57 3.38 -1.24 0.26 115.31 120.87 1rr9 h LEU 767 Ca 0.03 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1rr9 h LEU 767 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1rr9 h LEU 767 CO -0.04 0.92 0.09 0.74 0.09 0.00 0.00 178.44 180.24 1rr9 h THR 768 N 0.71 0.94 0.00 0.22 2.02 -0.77 0.16 112.91 116.19 1rr9 h THR 768 Ca 0.14 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 1rr9 h THR 768 Cb 0.49 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1rr9 h THR 768 CO 0.02 0.04 -0.51 -0.07 0.37 0.00 0.00 175.52 175.37 1rr9 h LEU 769 N 0.21 0.00 0.04 2.58 3.38 -0.96 -3.35 115.31 117.22 1rr9 h LEU 769 Ca 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 1rr9 h LEU 769 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1rr9 h LEU 769 CO -0.11 0.51 -2.11 0.00 0.09 0.00 0.00 178.44 176.82 1rr9 n ALA 770 N -2.29 1.27 -2.12 1.53 0.00 0.89 -4.91 120.51 114.88 1rr9 n ALA 770 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 53.44 52.16 1rr9 n ALA 770 Cb 0.64 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1rr9 n ALA 770 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rr9 s LEU 771 N -6.43 4.54 0.00 0.00 1.43 0.52 -0.90 118.68 117.85 1rr9 s LEU 771 Ca -0.19 1.78 0.30 0.00 -1.03 0.00 0.00 54.13 54.99 1rr9 s LEU 771 Cb 0.07 -3.53 1.61 0.00 0.03 0.00 0.00 46.19 44.37 1rr9 s LEU 771 CO 0.75 0.03 2.06 0.00 0.23 0.00 0.00 176.35 179.42 1rr9 n GLN 772 N 2.33 0.63 -2.42 1.70 10.64 -0.70 -4.84 117.38 124.72 1rr9 n GLN 772 Ca -0.00 0.01 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1rr9 n GLN 772 Cb 0.49 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.36 1rr9 n GLN 772 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1rr9 n ASN 773 N -1.17 2.08 0.00 2.61 3.02 -1.26 -5.05 115.26 115.48 1rr9 n ASN 773 Ca 0.17 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1rr9 n ASN 773 Cb 0.18 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1rr9 n ASN 773 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1rr9 n GLU 774 N -0.38 0.00 0.00 3.52 2.13 -1.26 -4.98 120.64 119.68 1rr9 n GLU 774 Ca -0.03 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1rr9 n GLU 774 Cb 0.13 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1rr9 n GLU 774 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42