#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr9 s VAL 595 N 0.00 3.20 0.00 5.15 1.01 -1.26 -2.82 120.40 125.67 1rr9 s VAL 595 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1rr9 s VAL 595 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1rr9 s VAL 595 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1rr9 n GLY 596 N 0.87 0.49 3.52 4.51 0.00 -1.26 -4.90 105.19 108.42 1rr9 n GLY 596 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1rr9 n GLY 596 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rr9 s GLN 597 N -0.53 3.77 0.01 1.61 2.00 -1.20 -2.30 119.66 123.03 1rr9 s GLN 597 Ca 0.00 -0.44 0.01 0.00 -2.00 0.00 0.00 55.36 52.93 1rr9 s GLN 597 Cb 0.00 -3.22 -0.01 0.00 0.80 0.00 0.00 33.01 30.58 1rr9 s GLN 597 CO 0.00 0.04 -0.04 0.08 -0.50 0.00 0.00 175.29 174.88 1rr9 s VAL 598 N 0.97 0.25 -0.43 1.34 1.01 -0.84 -4.66 120.40 118.04 1rr9 s VAL 598 Ca 0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1rr9 s VAL 598 Cb -0.14 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.02 1rr9 s VAL 598 CO 0.03 -0.14 0.30 -0.89 0.00 0.00 0.00 175.10 174.40 1rr9 s THR 599 N -0.60 4.86 0.29 3.92 2.01 -1.26 -1.08 115.64 123.78 1rr9 s THR 599 Ca -0.05 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.99 1rr9 s THR 599 Cb -0.05 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1rr9 s THR 599 CO -0.00 -0.44 0.38 -0.83 -0.69 0.00 0.00 174.62 173.04 1rr9 s GLY 600 N 2.09 1.47 -0.21 4.40 0.00 -0.03 -1.73 107.32 113.31 1rr9 s GLY 600 Ca 0.03 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1rr9 s GLY 600 CO 0.06 -1.37 -0.17 1.08 0.00 0.00 0.00 173.10 172.70 1rr9 s LEU 601 N -4.05 2.56 0.36 0.66 1.43 -0.53 0.16 118.68 119.27 1rr9 s LEU 601 Ca 0.39 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1rr9 s LEU 601 Cb -0.09 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1rr9 s LEU 601 CO 0.29 -0.06 0.58 0.00 0.23 0.00 0.00 176.35 177.39 1rr9 s ALA 602 N 1.24 0.27 0.04 4.21 0.00 -1.08 -4.38 121.76 122.06 1rr9 s ALA 602 Ca 0.01 -1.26 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1rr9 s ALA 602 Cb -0.15 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1rr9 s ALA 602 CO -0.10 -0.86 0.89 -0.46 0.00 0.00 0.00 175.76 175.23 1rr9 s TRP 603 N -2.80 3.71 0.09 0.00 -0.00 -1.24 -3.46 118.94 115.23 1rr9 s TRP 603 Ca 0.25 1.63 0.04 0.00 -0.00 0.00 0.00 56.10 58.03 1rr9 s TRP 603 Cb -0.02 -3.00 -0.03 0.00 -0.00 0.00 0.00 33.47 30.42 1rr9 s TRP 603 CO 0.17 0.13 -0.11 0.95 -0.00 0.00 0.00 176.95 178.09 1rr9 s THR 604 N 0.44 1.00 0.27 5.86 -4.23 -1.26 -2.16 115.64 115.57 1rr9 s THR 604 Ca 0.46 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1rr9 s THR 604 Cb -0.21 -1.25 0.28 0.00 1.34 0.00 0.00 72.50 72.66 1rr9 s THR 604 CO 0.26 -0.44 1.67 -0.08 -0.54 0.00 0.00 174.62 175.48 1rr9 h GLU 605 N 3.81 0.24 -2.91 3.99 4.57 -0.99 -1.14 114.58 122.15 1rr9 h GLU 605 Ca -0.38 -0.01 -0.30 0.00 -1.18 0.00 0.00 59.36 57.49 1rr9 h GLU 605 Cb 1.19 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1rr9 h GLU 605 CO 0.48 0.16 1.56 1.55 -1.18 0.00 0.00 179.01 181.58 1rr9 n VAL 606 N -5.19 2.42 0.00 0.32 3.14 -1.26 -4.71 118.33 113.05 1rr9 n VAL 606 Ca 0.18 -1.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.20 1rr9 n VAL 606 Cb 0.58 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1rr9 n VAL 606 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rr9 n GLY 607 N 3.26 2.17 0.00 7.55 0.00 -0.46 -4.34 105.19 113.37 1rr9 n GLY 607 Ca 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -0.46 0.00 -0.02 0.00 -1.02 -3.98 105.19 99.70 1rr9 n GLY 608 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1rr9 n GLY 608 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rr9 n ASP 609 N 0.00 0.00 -4.88 1.61 5.68 -1.23 -4.48 116.55 113.25 1rr9 n ASP 609 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.97 1rr9 n ASP 609 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1rr9 n ASP 609 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1rr9 s LEU 610 N 0.00 4.21 0.04 -2.12 0.05 -1.26 -2.63 118.68 116.97 1rr9 s LEU 610 Ca 0.00 0.86 0.05 0.00 0.05 0.00 0.00 54.13 55.09 1rr9 s LEU 610 Cb 0.00 -3.53 -0.04 0.00 -2.05 0.00 0.00 46.19 40.58 1rr9 s LEU 610 CO 0.00 -0.02 -0.08 -0.76 -0.55 0.00 0.00 176.35 174.94 1rr9 s LEU 611 N -2.65 3.10 -0.96 1.48 1.43 0.41 -4.94 118.68 116.56 1rr9 s LEU 611 Ca 0.44 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1rr9 s LEU 611 Cb -0.12 -1.82 0.29 0.00 0.03 0.00 0.00 46.19 44.57 1rr9 s LEU 611 CO 0.21 0.24 1.27 0.35 0.23 0.00 0.00 176.35 178.66 1rr9 n THR 612 N 1.26 4.51 -1.73 5.49 -2.24 -1.26 -0.85 114.28 119.46 1rr9 n THR 612 Ca -0.15 -5.74 -0.42 0.00 -2.27 0.00 0.00 64.05 55.48 1rr9 n THR 612 Cb 0.52 -2.09 -0.02 0.00 -2.10 0.00 0.00 70.33 66.65 1rr9 n THR 612 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1rr9 n ILE 613 N 1.20 0.65 -4.51 2.28 -0.00 -0.25 -3.99 119.36 114.74 1rr9 n ILE 613 Ca 0.27 -0.16 -0.22 0.00 -0.00 0.00 0.00 62.75 62.64 1rr9 n ILE 613 Cb 0.35 -1.94 -0.14 0.00 -0.00 0.00 0.00 39.64 37.92 1rr9 n ILE 613 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1rr9 s GLU 614 N 0.10 1.11 0.04 0.38 2.02 0.82 -1.99 118.70 121.17 1rr9 s GLU 614 Ca 0.68 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.94 1rr9 s GLU 614 Cb -0.51 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 1rr9 s GLU 614 CO 0.43 0.29 -0.03 0.95 0.02 0.00 0.00 175.26 176.91 1rr9 s THR 615 N -0.69 0.21 -0.02 3.63 -4.23 -0.97 0.91 115.64 114.47 1rr9 s THR 615 Ca 0.04 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1rr9 s THR 615 Cb -0.07 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1rr9 s THR 615 CO 0.01 -0.78 0.04 0.00 -0.54 0.00 0.00 174.62 173.35 1rr9 s ALA 616 N -2.89 -0.02 -0.64 3.99 0.00 0.17 -4.75 121.76 117.62 1rr9 s ALA 616 Ca -0.02 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1rr9 s ALA 616 Cb 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.08 1rr9 s ALA 616 CO -0.06 -0.08 0.43 0.00 0.00 0.00 0.00 175.76 176.05 1rr9 s VAL 618 N -0.64 4.82 0.02 0.00 -7.23 -1.08 -4.91 120.40 111.38 1rr9 s VAL 618 Ca 0.20 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 1rr9 s VAL 618 Cb -0.17 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 32.99 1rr9 s VAL 618 CO -0.06 -0.30 1.64 -2.16 -0.31 0.00 0.00 175.10 173.92 1rr9 s PRO 619 N -4.10 4.20 0.00 4.82 0.04 -1.26 -0.34 135.00 138.36 1rr9 s PRO 619 Ca 0.39 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1rr9 s PRO 619 Cb -0.09 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1rr9 s PRO 619 CO 0.31 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1rr9 n GLY 620 N 4.03 4.05 0.39 0.56 0.00 0.16 -4.62 105.19 109.76 1rr9 n GLY 620 Ca 0.16 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 1.62 0.00 1.61 5.02 -1.26 -3.80 118.16 121.35 1rr9 n LYS 621 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 1rr9 n LYS 621 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1rr9 n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rr9 n GLY 622 N 1.18 1.80 3.87 0.72 0.00 -0.42 -4.65 105.19 107.68 1rr9 n GLY 622 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.65 3.83 -0.17 1.61 1.02 -1.24 -4.90 119.74 119.25 1rr9 s LYS 623 Ca 0.00 0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 1rr9 s LYS 623 Cb 0.00 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1rr9 s LYS 623 CO 0.00 0.29 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.42 1rr9 s LEU 624 N -2.86 2.56 -0.00 3.17 0.20 -1.26 0.01 118.68 120.50 1rr9 s LEU 624 Ca 0.49 -0.45 0.06 0.00 0.69 0.00 0.00 54.13 54.91 1rr9 s LEU 624 Cb -0.11 -1.60 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 1rr9 s LEU 624 CO 0.21 0.06 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.24 1rr9 s THR 625 N 0.97 1.53 -0.07 3.68 2.01 0.21 -4.98 115.64 118.99 1rr9 s THR 625 Ca -0.02 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1rr9 s THR 625 Cb -0.15 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1rr9 s THR 625 CO -0.02 0.38 0.16 -0.72 -0.69 0.00 0.00 174.62 173.73 1rr9 s TYR 626 N -0.52 -0.19 0.20 4.92 -0.85 -1.26 0.34 117.35 120.00 1rr9 s TYR 626 Ca 0.07 0.51 -0.06 0.00 -0.52 0.00 0.00 57.07 57.08 1rr9 s TYR 626 Cb -0.08 -0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1rr9 s TYR 626 CO -0.00 -0.17 0.25 0.95 -1.52 0.00 0.00 175.55 175.06 1rr9 s THR 627 N 1.05 0.02 0.00 -3.49 -4.23 -0.45 -4.98 115.64 103.56 1rr9 s THR 627 Ca -0.08 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1rr9 s THR 627 Cb -0.10 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1rr9 s THR 627 CO -0.06 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1rr9 n GLY 628 N -0.28 0.91 3.73 3.99 0.00 -1.26 -1.31 105.19 110.96 1rr9 n GLY 628 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 -4.82 1.61 7.64 -1.24 -4.53 113.62 109.87 1rr9 n SER 629 Ca 0.00 -0.91 -0.38 0.00 1.01 0.00 0.00 58.87 58.59 1rr9 n SER 629 Cb 0.00 -3.72 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 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 -6.60 4.46 0.83 -3.43 1.43 -1.26 -0.63 118.68 113.48 1rr9 s LEU 630 Ca 0.16 0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 1rr9 s LEU 630 Cb -0.05 -2.64 0.09 0.00 0.03 0.00 0.00 46.19 43.63 1rr9 s LEU 630 CO 0.84 0.28 1.18 -0.83 0.23 0.00 0.00 176.35 178.05 1rr9 s GLY 631 N -0.88 1.59 0.22 -3.19 0.00 0.14 -4.87 107.32 100.34 1rr9 s GLY 631 Ca 0.25 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.24 1rr9 s GLY 631 CO 0.14 -0.14 1.86 0.83 0.00 0.00 0.00 173.10 175.79 1rr9 h GLU 632 N -1.15 0.91 -0.23 2.90 5.08 -1.99 -2.05 114.58 118.06 1rr9 h GLU 632 Ca -0.47 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1rr9 h GLU 632 Cb 1.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1rr9 h GLU 632 CO 0.65 0.60 0.14 0.28 -1.00 0.00 0.00 179.01 179.68 1rr9 h VAL 633 N 0.94 1.09 -0.56 3.13 2.07 -1.93 -0.76 116.25 120.22 1rr9 h VAL 633 Ca 0.32 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1rr9 h VAL 633 Cb 0.05 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1rr9 h VAL 633 CO -0.13 0.08 0.18 -0.03 0.02 0.00 0.00 177.57 177.70 1rr9 h MET 634 N 0.28 0.84 -0.18 1.57 1.85 -1.41 -1.19 114.93 116.69 1rr9 h MET 634 Ca 0.08 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 1rr9 h MET 634 Cb 0.02 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.90 1rr9 h MET 634 CO -0.02 0.72 0.08 1.96 -0.40 0.00 0.00 176.91 179.25 1rr9 h GLN 635 N 0.81 0.26 0.00 0.39 4.20 -1.02 -1.89 115.11 117.86 1rr9 h GLN 635 Ca 0.19 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1rr9 h GLN 635 Cb 0.23 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1rr9 h GLN 635 CO -0.01 0.30 -0.15 0.93 -0.67 0.00 0.00 178.83 179.23 1rr9 h GLU 636 N 0.15 0.00 0.00 1.46 5.08 -0.78 -0.82 114.58 119.67 1rr9 h GLU 636 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1rr9 h GLU 636 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1rr9 h GLU 636 CO -0.01 0.15 -0.49 0.66 -1.00 0.00 0.00 179.01 178.33 1rr9 h SER 637 N 0.00 0.00 -0.17 1.42 4.64 -0.48 -1.56 113.55 117.40 1rr9 h SER 637 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1rr9 h SER 637 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1rr9 h SER 637 CO 0.02 0.49 -0.42 0.40 -0.87 0.00 0.00 176.83 176.45 1rr9 h ILE 638 N 0.00 1.34 -0.76 0.95 2.04 -0.43 -1.37 117.51 119.29 1rr9 h ILE 638 Ca -0.00 -1.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1rr9 h ILE 638 Cb 0.88 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1rr9 h ILE 638 CO 0.06 0.51 0.28 1.56 0.00 0.00 0.00 178.15 180.56 1rr9 h GLN 639 N 0.24 1.14 -0.20 2.37 4.20 -1.14 -1.73 115.11 120.00 1rr9 h GLN 639 Ca -0.00 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1rr9 h GLN 639 Cb 1.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1rr9 h GLN 639 CO 0.09 0.94 -0.04 0.00 -0.67 0.00 0.00 178.83 179.15 1rr9 h ALA 640 N 1.19 0.27 -0.95 3.87 0.00 -1.28 -2.63 119.26 119.73 1rr9 h ALA 640 Ca 0.25 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1rr9 h ALA 640 Cb 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1rr9 h ALA 640 CO -0.02 0.04 0.60 0.00 0.00 0.00 0.00 179.25 179.88 1rr9 h ALA 641 N 0.74 1.63 -0.05 0.00 0.00 -1.04 -0.32 119.26 120.22 1rr9 h ALA 641 Ca 0.05 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1rr9 h ALA 641 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rr9 h ALA 641 CO 0.02 0.14 -0.69 1.25 0.00 0.00 0.00 179.25 179.97 1rr9 h LEU 642 N 0.90 0.29 -0.65 0.00 5.85 -1.23 -2.57 115.31 117.90 1rr9 h LEU 642 Ca 0.46 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 1rr9 h LEU 642 Cb 0.52 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1rr9 h LEU 642 CO -0.23 0.89 -0.31 0.74 -0.34 0.00 0.00 178.44 179.19 1rr9 h THR 643 N 0.17 1.28 0.00 1.05 2.02 -0.87 0.21 112.91 116.78 1rr9 h THR 643 Ca -0.02 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1rr9 h THR 643 Cb 1.24 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1rr9 h THR 643 CO 0.11 0.47 -0.13 0.58 0.37 0.00 0.00 175.52 176.93 1rr9 h VAL 644 N 0.61 1.00 0.12 3.16 2.07 -0.94 0.10 116.25 122.37 1rr9 h VAL 644 Ca 0.07 -0.44 -0.24 0.00 0.82 0.00 0.00 66.70 66.91 1rr9 h VAL 644 Cb 0.83 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1rr9 h VAL 644 CO 0.07 0.12 -1.17 0.58 0.02 0.00 0.00 177.57 177.19 1rr9 h VAL 645 N 0.00 1.22 -0.97 2.57 2.07 -0.98 -3.30 116.25 116.86 1rr9 h VAL 645 Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1rr9 h VAL 645 Cb 0.23 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1rr9 h VAL 645 CO 0.02 0.70 0.62 0.03 0.02 0.00 0.00 177.57 178.96 1rr9 h ARG 646 N -0.35 1.29 0.00 1.57 3.08 -0.24 -1.78 114.38 117.95 1rr9 h ARG 646 Ca -0.24 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1rr9 h ARG 646 Cb 1.70 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.47 1rr9 h ARG 646 CO 0.09 0.87 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 1rr9 n ALA 647 N -2.39 2.52 -1.80 0.04 0.00 0.33 -2.90 120.51 116.31 1rr9 n ALA 647 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1rr9 n ALA 647 Cb 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1rr9 n ALA 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rr9 n ARG 648 N -0.57 0.02 -0.05 0.00 1.74 -0.81 -4.87 116.66 112.12 1rr9 n ARG 648 Ca 0.04 -0.93 0.12 0.00 -0.77 0.00 0.00 57.85 56.30 1rr9 n ARG 648 Cb 0.02 -0.51 0.52 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.00 2.02 0.00 7.54 0.00 -1.21 -1.67 119.26 125.94 1rr9 h ALA 649 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rr9 h ALA 649 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rr9 h ALA 649 CO 0.00 -0.14 -0.00 1.49 0.00 0.00 0.00 179.25 180.60 1rr9 h GLU 650 N 0.37 -0.00 0.00 0.00 4.81 -1.86 -0.63 114.58 117.26 1rr9 h GLU 650 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1rr9 h GLU 650 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1rr9 h GLU 650 CO -0.06 0.11 -0.03 0.36 -0.73 0.00 0.00 179.01 178.66 1rr9 n LYS 651 N -5.04 0.17 0.00 1.92 2.85 -1.08 -3.00 118.16 113.98 1rr9 n LYS 651 Ca -0.07 0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.43 1rr9 n LYS 651 Cb 0.08 -1.69 0.16 0.00 -0.65 0.00 0.00 35.03 32.93 1rr9 n LYS 651 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1rr9 n LEU 652 N -1.98 1.01 0.00 -5.58 4.77 -0.65 -1.71 117.00 112.87 1rr9 n LEU 652 Ca 0.06 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1rr9 n LEU 652 Cb 0.40 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1rr9 n LEU 652 CO 0.29 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1rr9 n GLY 653 N 1.44 2.38 3.65 -0.72 0.00 -0.43 -4.92 105.19 106.58 1rr9 n GLY 653 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.77 3.68 0.08 -0.61 1.01 -0.38 -4.98 121.20 117.23 1rr9 s ILE 654 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 1rr9 s ILE 654 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1rr9 s ILE 654 CO 0.00 -0.16 1.02 0.21 0.00 0.00 0.00 174.94 176.01 1rr9 s ASN 655 N 3.71 7.37 0.21 3.58 2.47 -1.26 -4.29 114.94 126.72 1rr9 s ASN 655 Ca 0.72 1.82 -0.09 0.00 0.42 0.00 0.00 52.86 55.72 1rr9 s ASN 655 Cb -0.29 -2.58 0.22 0.00 -1.45 0.00 0.00 41.25 37.15 1rr9 s ASN 655 CO 0.28 -0.20 1.83 1.55 -3.72 0.00 0.00 177.10 176.83 1rr9 h PRO 656 N 6.06 0.74 0.57 0.43 0.13 -1.93 -0.90 132.00 137.11 1rr9 h PRO 656 Ca -0.42 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1rr9 h PRO 656 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1rr9 h PRO 656 CO 0.74 0.49 -0.29 -0.44 -0.23 0.00 0.00 178.00 178.27 1rr9 h ASP 657 N 0.76 -0.69 -0.79 1.44 3.45 -2.00 -2.50 116.42 116.09 1rr9 h ASP 657 Ca 0.29 0.03 0.19 0.00 0.43 0.00 0.00 57.03 57.97 1rr9 h ASP 657 Cb 0.12 0.18 -0.14 0.00 -0.56 0.00 0.00 39.33 38.94 1rr9 h ASP 657 CO -0.15 -0.48 0.04 0.15 -1.57 0.00 0.00 179.24 177.23 1rr9 h PHE 658 N -0.79 0.01 -0.33 4.55 3.57 -1.88 -1.10 116.94 120.96 1rr9 h PHE 658 Ca -0.08 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1rr9 h PHE 658 Cb 0.61 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1rr9 h PHE 658 CO -0.04 -0.25 0.06 -0.92 -2.23 0.00 0.00 178.31 174.93 1rr9 h TYR 659 N 0.12 0.10 0.00 0.41 5.03 -0.80 -1.63 116.97 120.20 1rr9 h TYR 659 Ca 0.45 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.78 1rr9 h TYR 659 Cb 0.81 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1rr9 h TYR 659 CO -0.41 0.01 0.00 0.39 -1.32 0.00 0.00 178.16 176.84 1rr9 n GLU 660 N -5.10 0.23 -0.12 1.82 -0.58 -0.42 -0.99 120.64 115.47 1rr9 n GLU 660 Ca 0.01 0.06 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 1rr9 n GLU 660 Cb 0.15 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.64 1rr9 n GLU 660 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1rr9 n LYS 661 N -1.07 2.37 -4.87 3.49 4.76 -0.62 -3.63 118.16 118.59 1rr9 n LYS 661 Ca 0.06 -1.80 -0.30 0.00 -2.87 0.00 0.00 58.31 53.39 1rr9 n LYS 661 Cb 0.04 -1.23 -0.14 0.00 -1.84 0.00 0.00 35.03 31.85 1rr9 n LYS 661 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rr9 s ARG 662 N -0.96 1.81 -0.12 1.97 1.81 -0.16 0.39 118.95 123.68 1rr9 s ARG 662 Ca 0.19 -1.11 -0.04 0.00 -1.72 0.00 0.00 55.73 53.05 1rr9 s ARG 662 Cb 0.10 -1.99 -0.03 0.00 -0.45 0.00 0.00 34.95 32.58 1rr9 s ARG 662 CO 0.14 0.51 0.03 -0.51 -0.68 0.00 0.00 175.30 174.79 1rr9 s ASP 663 N -1.29 5.42 -0.13 0.23 1.01 0.54 -1.31 116.67 121.14 1rr9 s ASP 663 Ca 0.12 0.14 -0.00 0.00 0.71 0.00 0.00 52.55 53.52 1rr9 s ASP 663 Cb -0.10 -1.70 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 1rr9 s ASP 663 CO 0.02 0.31 -0.12 -0.63 0.21 0.00 0.00 175.17 174.96 1rr9 s ILE 664 N -0.47 3.15 -0.14 0.77 1.01 0.10 -2.62 121.20 123.00 1rr9 s ILE 664 Ca 0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1rr9 s ILE 664 Cb -0.12 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.06 1rr9 s ILE 664 CO 0.02 0.53 -0.06 -2.28 0.00 0.00 0.00 174.94 173.15 1rr9 s HIS 665 N 0.26 1.60 -0.30 3.97 2.46 -0.94 0.67 115.29 123.01 1rr9 s HIS 665 Ca -0.09 -0.92 -0.07 0.00 0.47 0.00 0.00 55.06 54.45 1rr9 s HIS 665 Cb -0.15 -1.27 0.01 0.00 -0.13 0.00 0.00 32.58 31.03 1rr9 s HIS 665 CO 0.05 -0.57 0.08 0.54 -2.47 0.00 0.00 174.74 172.37 1rr9 s VAL 666 N 1.67 3.94 -0.07 0.89 0.11 0.15 -0.66 120.40 126.43 1rr9 s VAL 666 Ca 0.03 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1rr9 s VAL 666 Cb -0.14 -3.04 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 1rr9 s VAL 666 CO -0.08 0.07 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.31 1rr9 s HIS 667 N 1.49 2.64 -0.59 1.54 2.46 0.26 -1.34 115.29 121.76 1rr9 s HIS 667 Ca 0.02 -0.48 -0.01 0.00 0.47 0.00 0.00 55.06 55.06 1rr9 s HIS 667 Cb -0.17 -1.68 0.15 0.00 -0.13 0.00 0.00 32.58 30.75 1rr9 s HIS 667 CO 0.02 -0.06 0.38 0.08 -2.47 0.00 0.00 174.74 172.69 1rr9 s VAL 668 N -0.24 3.38 0.54 0.89 1.01 -0.43 -0.13 120.40 125.43 1rr9 s VAL 668 Ca 0.00 -3.02 -0.18 0.00 0.00 0.00 0.00 61.98 58.78 1rr9 s VAL 668 Cb -0.13 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.87 1rr9 s VAL 668 CO 0.03 -0.85 -0.05 -2.65 0.00 0.00 0.00 175.10 171.58 1rr9 n PRO 669 N 3.43 0.08 -0.63 2.72 -0.02 -1.26 -4.06 135.00 135.26 1rr9 n PRO 669 Ca 0.07 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1rr9 n PRO 669 Cb 0.36 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 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 1.28 0.00 -0.32 -0.52 4.07 -1.26 -4.75 120.64 119.14 1rr9 n GLU 670 Ca 0.08 0.00 0.34 0.00 -0.06 0.00 0.00 57.16 57.52 1rr9 n GLU 670 Cb 0.48 -0.69 0.59 0.00 -0.06 0.00 0.00 31.44 31.75 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 0.00 -1.29 8.31 0.00 -1.87 0.98 103.07 109.19 1rr9 h GLY 671 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rr9 h GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1rr9 n ALA 672 N -2.47 2.50 -2.56 3.60 0.00 -1.26 -3.68 120.51 116.65 1rr9 n ALA 672 Ca 0.27 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1rr9 n ALA 672 Cb 1.55 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1rr9 n ALA 672 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rr9 s THR 673 N -1.85 5.10 0.27 0.00 2.01 0.34 -5.02 115.64 116.49 1rr9 s THR 673 Ca 0.34 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1rr9 s THR 673 Cb 0.20 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1rr9 s THR 673 CO 0.30 -0.11 1.56 -2.84 -0.69 0.00 0.00 174.62 172.84 1rr9 s PRO 674 N 2.20 4.16 -0.00 4.92 0.02 -1.26 -4.53 135.00 140.51 1rr9 s PRO 674 Ca 0.16 2.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 1rr9 s PRO 674 Cb -0.16 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1rr9 s PRO 674 CO 0.12 -0.59 0.01 0.15 -0.33 0.00 0.00 177.00 176.36 1rr9 s LYS 675 N -0.27 0.00 0.36 5.54 1.02 0.20 -0.30 119.74 126.30 1rr9 s LYS 675 Ca 0.63 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.51 1rr9 s LYS 675 Cb -0.46 -0.01 0.04 0.00 -0.52 0.00 0.00 37.83 36.87 1rr9 s LYS 675 CO 0.45 -0.01 0.71 0.34 -0.92 0.00 0.00 175.35 175.92 1rr9 s ASP 676 N 0.07 0.16 0.00 2.83 -1.08 -0.92 0.27 116.67 118.00 1rr9 s ASP 676 Ca -0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1rr9 s ASP 676 Cb -0.01 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.25 1rr9 s ASP 676 CO -0.00 -1.56 0.00 0.61 0.52 0.00 0.00 175.17 174.73 1rr9 n GLY 677 N -0.53 1.96 0.00 2.66 0.00 -1.26 -3.69 105.19 104.34 1rr9 n GLY 677 Ca -0.06 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 1.63 0.02 0.33 1.61 -0.04 -1.26 -2.95 135.00 134.35 1rr9 n PRO 678 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1rr9 n PRO 678 Cb 0.00 -1.51 0.84 0.00 -0.04 0.00 0.00 33.50 32.79 1rr9 n PRO 678 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rr9 h ALA 679 N 2.96 1.30 -0.33 0.55 0.00 -1.87 -0.95 119.26 120.92 1rr9 h ALA 679 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rr9 h ALA 679 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rr9 h ALA 679 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1rr9 n ALA 680 N -1.90 2.54 -0.07 0.00 0.00 -1.26 -0.14 120.51 119.68 1rr9 n ALA 680 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 1rr9 n ALA 680 Cb 0.35 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 5.17 -0.88 1.89 0.00 0.00 -0.84 0.18 103.07 108.58 1rr9 h GLY 681 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 47.33 47.85 1rr9 h GLY 681 CO 0.03 -0.17 -0.54 0.16 0.00 0.00 0.00 176.54 176.02 1rr9 h ILE 682 N -0.46 1.37 -0.47 2.60 3.07 -1.72 -2.23 117.51 119.68 1rr9 h ILE 682 Ca 0.08 -1.84 -0.05 0.00 1.55 0.00 0.00 64.86 64.60 1rr9 h ILE 682 Cb 0.63 1.94 -0.02 0.00 -0.27 0.00 0.00 36.82 39.10 1rr9 h ILE 682 CO -0.51 0.53 0.10 0.00 -1.05 0.00 0.00 178.15 177.22 1rr9 h ALA 683 N 1.36 0.62 -0.85 0.16 0.00 -1.74 0.36 119.26 119.16 1rr9 h ALA 683 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rr9 h ALA 683 Cb 0.98 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1rr9 h ALA 683 CO 0.08 0.32 0.52 0.52 0.00 0.00 0.00 179.25 180.69 1rr9 h MET 684 N 0.63 1.15 -0.34 0.00 2.86 -0.48 0.14 114.93 118.89 1rr9 h MET 684 Ca 0.14 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1rr9 h MET 684 Cb 0.35 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1rr9 h MET 684 CO 0.00 0.80 -0.37 0.00 1.06 0.00 0.00 176.91 178.40 1rr9 h THR 686 N 0.66 1.28 -0.32 0.00 2.02 0.28 -2.32 112.91 114.53 1rr9 h THR 686 Ca 0.06 -1.39 -0.14 0.00 0.77 0.00 0.00 66.41 65.71 1rr9 h THR 686 Cb 0.93 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1rr9 h THR 686 CO 0.09 0.43 -0.36 0.00 0.37 0.00 0.00 175.52 176.05 1rr9 h ALA 687 N 1.27 0.78 -0.12 6.16 0.00 -0.87 -2.31 119.26 124.18 1rr9 h ALA 687 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1rr9 h ALA 687 Cb 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rr9 h ALA 687 CO 0.06 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.68 1rr9 h LEU 688 N 0.60 0.39 -0.19 0.00 3.38 -1.32 -1.79 115.31 116.38 1rr9 h LEU 688 Ca 0.06 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1rr9 h LEU 688 Cb 0.89 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1rr9 h LEU 688 CO 0.08 0.86 -0.10 0.58 0.09 0.00 0.00 178.44 179.95 1rr9 h VAL 689 N -0.07 0.69 -0.44 1.22 2.07 -1.42 -1.56 116.25 116.74 1rr9 h VAL 689 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1rr9 h VAL 689 Cb 0.79 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1rr9 h VAL 689 CO 0.05 0.00 0.07 -1.28 0.02 0.00 0.00 177.57 176.43 1rr9 h SER 690 N -0.08 -0.03 -0.57 0.57 0.87 -1.41 -1.59 113.55 111.31 1rr9 h SER 690 Ca 0.11 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1rr9 h SER 690 Cb 0.24 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1rr9 h SER 690 CO -0.25 0.02 0.34 0.00 -0.53 0.00 0.00 176.83 176.41 1rr9 n LEU 692 N -4.78 0.21 0.00 0.00 4.77 -0.63 -3.85 117.00 112.72 1rr9 n LEU 692 Ca 0.05 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1rr9 n LEU 692 Cb 0.10 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1rr9 n LEU 692 CO 0.32 0.05 0.26 0.35 -1.33 0.00 0.00 177.39 177.03 1rr9 n THR 693 N -1.38 0.07 -2.19 -5.08 -2.24 -0.62 -4.90 114.28 97.94 1rr9 n THR 693 Ca 0.09 -0.52 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1rr9 n THR 693 Cb 0.32 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.04 0.02 3.39 3.38 0.00 0.34 -4.95 105.19 107.34 1rr9 n GLY 694 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 5.79 0.48 1.61 2.47 -1.08 -5.02 114.94 117.05 1rr9 s ASN 695 Ca 0.00 -0.95 -0.22 0.00 0.42 0.00 0.00 52.86 52.11 1rr9 s ASN 695 Cb 0.00 -2.05 -0.10 0.00 -1.45 0.00 0.00 41.25 37.66 1rr9 s ASN 695 CO 0.00 -0.39 0.81 -2.65 -3.72 0.00 0.00 177.10 171.16 1rr9 n PRO 696 N 5.02 0.95 -3.15 0.43 -0.02 -1.26 -4.56 135.00 132.41 1rr9 n PRO 696 Ca -0.12 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1rr9 n PRO 696 Cb 0.46 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 1rr9 n PRO 696 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rr9 s VAL 697 N -1.43 4.97 0.23 -1.45 1.01 -1.13 -2.60 120.40 120.01 1rr9 s VAL 697 Ca 0.66 0.83 -0.27 0.00 0.00 0.00 0.00 61.98 63.19 1rr9 s VAL 697 Cb -0.53 -3.96 -0.16 0.00 0.00 0.00 0.00 36.38 31.73 1rr9 s VAL 697 CO 0.55 -0.10 0.57 0.54 0.00 0.00 0.00 175.10 176.67 1rr9 n ARG 698 N 5.80 0.23 -2.05 2.72 1.74 0.26 -4.07 116.66 121.30 1rr9 n ARG 698 Ca -0.02 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 1rr9 n ARG 698 Cb 0.49 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.79 1rr9 n ARG 698 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rr9 s ALA 699 N -1.06 2.81 -0.96 7.54 0.00 -1.26 -3.74 121.76 125.08 1rr9 s ALA 699 Ca 0.63 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1rr9 s ALA 699 Cb -0.87 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1rr9 s ALA 699 CO 0.57 -0.75 0.00 -0.25 0.00 0.00 0.00 175.76 175.33 1rr9 n ASP 700 N -2.11 -5.44 -4.83 0.00 10.43 -1.26 -4.87 116.55 108.47 1rr9 n ASP 700 Ca 0.08 0.22 -0.35 0.00 2.57 0.00 0.00 54.79 57.31 1rr9 n ASP 700 Cb 0.53 -3.73 -0.07 0.00 1.84 0.00 0.00 41.12 39.69 1rr9 n ASP 700 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1rr9 s VAL 701 N -1.88 5.13 0.20 2.53 -7.23 -1.25 -1.37 120.40 116.54 1rr9 s VAL 701 Ca 0.00 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1rr9 s VAL 701 Cb 0.00 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 1rr9 s VAL 701 CO 0.00 0.53 0.05 0.00 -0.31 0.00 0.00 175.10 175.38 1rr9 s ALA 702 N -1.07 1.41 -0.08 1.32 0.00 0.14 -4.23 121.76 119.25 1rr9 s ALA 702 Ca 0.18 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 1rr9 s ALA 702 Cb -0.12 0.85 0.07 0.00 0.00 0.00 0.00 23.12 23.92 1rr9 s ALA 702 CO 0.07 -0.42 0.71 0.00 0.00 0.00 0.00 175.76 176.13 1rr9 s MET 703 N -4.00 1.00 -0.01 0.00 0.23 -0.71 -0.78 119.30 115.04 1rr9 s MET 703 Ca 0.30 0.31 -0.03 0.00 -1.03 0.00 0.00 55.69 55.24 1rr9 s MET 703 Cb 0.07 0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1rr9 s MET 703 CO 0.08 -0.30 0.07 -0.08 -2.03 0.00 0.00 175.02 172.76 1rr9 s THR 704 N -1.06 0.06 0.00 3.16 -1.32 -0.71 -1.45 115.64 114.32 1rr9 s THR 704 Ca -0.09 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1rr9 s THR 704 Cb -0.00 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 1rr9 s THR 704 CO 0.09 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1rr9 n GLY 705 N 2.16 4.57 3.75 6.08 0.00 0.81 -3.72 105.19 118.84 1rr9 n GLY 705 Ca -0.19 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.73 4.58 -0.02 1.61 2.12 -0.72 -2.42 118.70 120.11 1rr9 s GLU 706 Ca 0.00 1.19 0.01 0.00 0.36 0.00 0.00 54.97 56.52 1rr9 s GLU 706 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1rr9 s GLU 706 CO 0.00 0.39 0.00 -1.50 -0.54 0.00 0.00 175.26 173.62 1rr9 s ILE 707 N -0.52 4.20 0.53 -3.70 2.07 -1.26 0.91 121.20 123.42 1rr9 s ILE 707 Ca 0.39 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.18 1rr9 s ILE 707 Cb -0.22 -2.85 0.04 0.00 0.13 0.00 0.00 42.46 39.56 1rr9 s ILE 707 CO 0.26 0.43 0.48 0.42 -1.91 0.00 0.00 174.94 174.62 1rr9 s THR 708 N -1.04 1.92 0.11 4.00 -4.23 -0.28 -4.91 115.64 111.22 1rr9 s THR 708 Ca 0.18 -1.37 0.12 0.00 -1.18 0.00 0.00 61.69 59.45 1rr9 s THR 708 Cb -0.11 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1rr9 s THR 708 CO 0.08 0.00 1.51 -0.07 -0.54 0.00 0.00 174.62 175.61 1rr9 h LEU 709 N 0.68 0.00 0.00 4.79 4.07 -1.90 -2.89 115.31 120.05 1rr9 h LEU 709 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1rr9 h LEU 709 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1rr9 h LEU 709 CO 0.54 0.64 0.00 -2.11 -1.08 0.00 0.00 178.44 176.43 1rr9 n ARG 710 N -3.48 0.63 -0.55 1.13 1.85 -1.26 -4.82 116.66 110.16 1rr9 n ARG 710 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1rr9 n ARG 710 Cb 0.71 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 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 0.66 0.76 3.77 2.89 0.00 -1.09 -4.99 105.19 107.18 1rr9 n GLY 711 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.45 4.46 -0.43 1.61 2.00 -1.26 -1.39 119.66 124.20 1rr9 s GLN 712 Ca 0.00 1.71 -0.13 0.00 -2.00 0.00 0.00 55.36 54.94 1rr9 s GLN 712 Cb 0.00 -2.96 0.06 0.00 0.80 0.00 0.00 33.01 30.90 1rr9 s GLN 712 CO 0.00 0.08 0.32 0.08 -0.50 0.00 0.00 175.29 175.27 1rr9 s VAL 713 N -1.33 4.94 0.25 1.34 1.01 -0.73 -1.12 120.40 124.76 1rr9 s VAL 713 Ca 0.49 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1rr9 s VAL 713 Cb -0.29 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1rr9 s VAL 713 CO 0.37 -0.46 0.68 -0.76 0.00 0.00 0.00 175.10 174.93 1rr9 s LEU 714 N 1.59 4.22 0.48 3.92 1.43 0.26 -4.63 118.68 125.95 1rr9 s LEU 714 Ca 0.04 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 54.16 1rr9 s LEU 714 Cb -0.22 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 1rr9 s LEU 714 CO 0.06 -0.06 1.30 -2.16 0.23 0.00 0.00 176.35 175.73 1rr9 s PRO 715 N -2.43 3.58 0.47 1.29 0.04 -1.26 -1.76 135.00 134.93 1rr9 s PRO 715 Ca 0.47 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.68 1rr9 s PRO 715 Cb -0.13 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1rr9 s PRO 715 CO 0.19 -0.80 0.25 0.96 0.04 0.00 0.00 177.00 177.64 1rr9 s ILE 716 N -1.34 1.95 0.47 0.56 -0.00 -1.26 -4.74 121.20 116.83 1rr9 s ILE 716 Ca 0.64 -1.64 0.08 0.00 -0.00 0.00 0.00 60.65 59.74 1rr9 s ILE 716 Cb -0.37 -2.59 0.03 0.00 -0.00 0.00 0.00 42.46 39.53 1rr9 s ILE 716 CO 0.46 0.00 0.63 -0.83 -0.00 0.00 0.00 174.94 175.19 1rr9 s GLY 717 N -4.05 1.89 -1.44 6.27 0.00 -1.26 -4.64 107.32 104.09 1rr9 s GLY 717 Ca 0.34 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.15 1rr9 s GLY 717 CO 0.20 -1.56 0.99 0.61 0.00 0.00 0.00 173.10 173.34 1rr9 n GLY 718 N -1.96 -0.47 0.30 0.20 0.00 -1.26 -4.88 105.19 97.12 1rr9 n GLY 718 Ca 0.10 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.20 0.51 0.62 0.99 6.46 -1.98 -2.34 115.31 117.39 1rr9 h LEU 719 Ca -0.58 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.12 1rr9 h LEU 719 Cb 1.37 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1rr9 h LEU 719 CO 0.62 0.42 -0.43 0.50 -0.62 0.00 0.00 178.44 178.93 1rr9 h LYS 720 N 0.59 -0.98 -0.65 1.25 3.64 -1.92 0.05 116.57 118.55 1rr9 h LYS 720 Ca 0.15 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1rr9 h LYS 720 Cb 0.03 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1rr9 h LYS 720 CO -0.02 -0.65 0.31 0.93 -2.27 0.00 0.00 179.45 177.75 1rr9 h GLU 721 N -1.01 0.54 -0.11 1.90 3.07 -1.90 -1.13 114.58 115.94 1rr9 h GLU 721 Ca -0.08 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1rr9 h GLU 721 Cb 0.84 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1rr9 h GLU 721 CO 0.05 0.36 -0.11 0.87 -1.40 0.00 0.00 179.01 178.78 1rr9 h LYS 722 N 0.56 0.17 0.10 2.33 1.57 -1.14 -0.32 116.57 119.83 1rr9 h LYS 722 Ca 0.31 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.79 1rr9 h LYS 722 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1rr9 h LYS 722 CO -0.24 0.28 -1.27 -0.07 -0.57 0.00 0.00 179.45 177.58 1rr9 h LEU 723 N 0.16 0.32 -0.65 2.94 3.38 -0.36 -2.62 115.31 118.48 1rr9 h LEU 723 Ca 0.03 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1rr9 h LEU 723 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1rr9 h LEU 723 CO 0.02 1.29 -0.47 0.25 0.09 0.00 0.00 178.44 179.62 1rr9 h LEU 724 N 0.06 0.54 -0.37 1.67 5.85 -0.94 0.15 115.31 122.27 1rr9 h LEU 724 Ca -0.14 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 1rr9 h LEU 724 Cb 1.94 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1rr9 h LEU 724 CO 0.18 0.93 -0.24 0.00 -0.34 0.00 0.00 178.44 178.96 1rr9 h ALA 725 N 1.09 0.52 -0.61 1.25 0.00 -1.10 -1.29 119.26 119.12 1rr9 h ALA 725 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1rr9 h ALA 725 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rr9 h ALA 725 CO 0.09 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.93 1rr9 h ALA 726 N 0.78 0.81 0.57 0.00 0.00 -1.26 -1.67 119.26 118.50 1rr9 h ALA 726 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1rr9 h ALA 726 Cb 0.80 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1rr9 h ALA 726 CO 0.07 0.58 -0.42 1.25 0.00 0.00 0.00 179.25 180.73 1rr9 h HIS 727 N 0.93 -1.14 -0.20 0.00 6.17 -0.50 -1.73 115.15 118.68 1rr9 h HIS 727 Ca 0.18 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.32 1rr9 h HIS 727 Cb 0.45 0.42 -0.01 0.00 2.52 0.00 0.00 27.41 30.79 1rr9 h HIS 727 CO 0.03 -0.60 0.22 0.00 0.71 0.00 0.00 177.93 178.29 1rr9 h ARG 728 N -0.95 0.00 -0.00 5.26 3.08 -1.22 0.61 114.38 121.15 1rr9 h ARG 728 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1rr9 h ARG 728 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1rr9 h ARG 728 CO 0.03 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.33 1rr9 n GLY 729 N -1.42 -1.37 2.13 0.04 0.00 -0.63 -4.91 105.19 99.04 1rr9 n GLY 729 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 1.39 0.67 3.78 -0.02 0.00 0.21 -5.02 105.19 106.20 1rr9 n GLY 730 Ca 0.11 -0.83 -0.36 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 -2.19 3.25 -0.02 -0.61 1.01 -0.72 -5.01 121.20 116.91 1rr9 s ILE 731 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 1rr9 s ILE 731 Cb 0.00 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 1rr9 s ILE 731 CO 0.00 -0.10 -0.03 1.17 0.00 0.00 0.00 174.94 175.98 1rr9 n LYS 732 N -0.87 0.07 -3.47 2.79 4.81 -0.47 -4.76 118.16 116.25 1rr9 n LYS 732 Ca 0.09 0.29 -0.40 0.00 -0.87 0.00 0.00 58.31 57.42 1rr9 n LYS 732 Cb 0.50 -0.89 -0.10 0.00 0.02 0.00 0.00 35.03 34.56 1rr9 n LYS 732 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1rr9 s THR 733 N -1.18 5.23 -0.29 3.15 2.01 -0.51 -0.58 115.64 123.47 1rr9 s THR 733 Ca -0.02 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1rr9 s THR 733 Cb 0.00 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.82 1rr9 s THR 733 CO 0.03 0.01 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 1rr9 s VAL 734 N 1.88 2.99 0.06 3.82 1.01 -1.21 0.26 120.40 129.21 1rr9 s VAL 734 Ca 0.09 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 1rr9 s VAL 734 Cb -0.17 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1rr9 s VAL 734 CO 0.11 -0.02 0.79 -0.76 0.00 0.00 0.00 175.10 175.22 1rr9 s LEU 735 N 1.28 4.47 0.12 3.92 1.43 0.04 -2.07 118.68 127.87 1rr9 s LEU 735 Ca -0.04 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1rr9 s LEU 735 Cb -0.19 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1rr9 s LEU 735 CO -0.02 0.02 -0.06 0.27 0.23 0.00 0.00 176.35 176.79 1rr9 s ILE 736 N -0.12 0.79 0.25 -0.59 -4.36 -1.09 -1.74 121.20 114.34 1rr9 s ILE 736 Ca 0.39 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.52 1rr9 s ILE 736 Cb -0.21 -1.78 -0.10 0.00 1.25 0.00 0.00 42.46 41.62 1rr9 s ILE 736 CO 0.24 -0.79 1.37 -2.84 0.24 0.00 0.00 174.94 173.17 1rr9 s PRO 737 N -3.83 4.32 0.63 0.37 0.02 -1.24 -0.33 135.00 134.94 1rr9 s PRO 737 Ca 0.15 2.20 0.25 0.00 0.02 0.00 0.00 61.00 63.62 1rr9 s PRO 737 Cb 0.05 -3.13 1.22 0.00 0.02 0.00 0.00 34.50 32.66 1rr9 s PRO 737 CO -0.02 -0.32 1.67 0.35 -0.33 0.00 0.00 177.00 178.35 1rr9 h PHE 738 N 4.87 0.00 -0.01 6.54 3.57 0.31 0.11 116.94 132.33 1rr9 h PHE 738 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1rr9 h PHE 738 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1rr9 h PHE 738 CO 0.60 0.00 -0.02 0.39 -2.23 0.00 0.00 178.31 177.05 1rr9 n GLU 739 N -3.22 1.50 0.00 1.11 4.71 -1.26 -3.62 120.64 119.87 1rr9 n GLU 739 Ca 0.07 -0.81 0.11 0.00 -0.01 0.00 0.00 57.16 56.52 1rr9 n GLU 739 Cb 0.78 -1.48 0.02 0.00 -1.01 0.00 0.00 31.44 29.75 1rr9 n GLU 739 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1rr9 n ASN 740 N -0.04 2.06 -0.32 1.62 4.13 0.39 -4.52 115.26 118.58 1rr9 n ASN 740 Ca 0.19 -1.53 0.14 0.00 1.68 0.00 0.00 54.58 55.06 1rr9 n ASN 740 Cb 0.33 0.43 0.28 0.00 -1.54 0.00 0.00 39.78 39.28 1rr9 n ASN 740 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1rr9 h LYS 741 N 2.55 0.06 0.00 3.52 1.57 -1.67 0.80 116.57 123.39 1rr9 h LYS 741 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1rr9 h LYS 741 Cb 0.76 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1rr9 h LYS 741 CO 0.00 0.04 -0.07 0.07 -0.57 0.00 0.00 179.45 178.92 1rr9 h ARG 742 N 0.06 0.00 0.00 3.15 0.11 -1.88 -2.22 114.38 113.60 1rr9 h ARG 742 Ca 0.57 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.55 1rr9 h ARG 742 Cb 1.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 1rr9 h ARG 742 CO -0.83 0.07 -0.47 -0.44 0.10 0.00 0.00 179.97 178.40 1rr9 h ASP 743 N 0.00 0.00 -0.85 0.08 5.19 0.32 -3.21 116.42 117.94 1rr9 h ASP 743 Ca -0.00 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1rr9 h ASP 743 Cb 0.22 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.64 1rr9 h ASP 743 CO 0.01 0.47 0.47 -0.07 -3.12 0.00 0.00 179.24 177.00 1rr9 h LEU 744 N 0.00 0.62 -0.95 1.55 3.38 -1.31 -2.84 115.31 115.76 1rr9 h LEU 744 Ca -0.00 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.24 1rr9 h LEU 744 Cb 1.07 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 1rr9 h LEU 744 CO 0.06 0.30 -0.19 1.21 0.09 0.00 0.00 178.44 179.92 1rr9 n GLU 745 N -4.80 -0.08 0.00 1.13 2.13 -1.21 0.10 120.64 117.90 1rr9 n GLU 745 Ca 0.16 1.47 0.00 0.00 0.66 0.00 0.00 57.16 59.45 1rr9 n GLU 745 Cb 0.37 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1rr9 n GLU 745 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1rr9 n GLU 746 N -5.52 0.92 -3.92 5.31 4.71 -1.07 -4.77 120.64 116.29 1rr9 n GLU 746 Ca 0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.96 1rr9 n GLU 746 Cb 0.53 -1.23 -0.11 0.00 -1.01 0.00 0.00 31.44 29.62 1rr9 n GLU 746 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1rr9 s ILE 747 N -1.51 4.64 -0.21 -3.67 -1.09 0.29 -5.05 121.20 114.60 1rr9 s ILE 747 Ca 0.00 -0.08 -0.42 0.00 -2.23 0.00 0.00 60.65 57.93 1rr9 s ILE 747 Cb 0.00 -3.12 -0.19 0.00 -1.58 0.00 0.00 42.46 37.57 1rr9 s ILE 747 CO 0.00 0.41 1.44 -2.65 -1.23 0.00 0.00 174.94 172.90 1rr9 n PRO 748 N 4.09 0.44 -0.27 2.79 -0.02 -1.26 -4.71 135.00 136.05 1rr9 n PRO 748 Ca -0.16 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1rr9 n PRO 748 Cb 0.52 -1.72 0.23 0.00 -0.02 0.00 0.00 33.50 32.50 1rr9 n PRO 748 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1rr9 h ASP 749 N 4.83 0.09 0.08 2.55 1.82 -1.95 0.00 116.42 123.84 1rr9 h ASP 749 Ca -0.47 0.15 0.02 0.00 -0.39 0.00 0.00 57.03 56.34 1rr9 h ASP 749 Cb 1.37 0.19 -0.05 0.00 0.68 0.00 0.00 39.33 41.52 1rr9 h ASP 749 CO 0.85 -0.04 -0.45 -0.55 -1.61 0.00 0.00 179.24 177.43 1rr9 h ASN 750 N 0.30 -1.36 -0.34 2.28 -1.07 -1.98 1.12 115.58 114.52 1rr9 h ASN 750 Ca 0.47 0.15 0.07 0.00 0.07 0.00 0.00 56.30 57.06 1rr9 h ASN 750 Cb 0.84 0.52 -0.07 0.00 -2.07 0.00 0.00 38.32 37.54 1rr9 h ASN 750 CO -0.53 -0.50 -0.14 0.58 0.07 0.00 0.00 177.43 176.91 1rr9 h VAL 751 N -0.66 0.55 -0.27 6.14 2.07 -1.59 0.15 116.25 122.64 1rr9 h VAL 751 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1rr9 h VAL 751 Cb 0.70 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1rr9 h VAL 751 CO -0.29 0.00 0.18 0.40 0.02 0.00 0.00 177.57 177.89 1rr9 h ILE 752 N -0.07 1.01 -0.26 4.57 1.08 -0.09 -1.96 117.51 121.78 1rr9 h ILE 752 Ca 0.17 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.46 1rr9 h ILE 752 Cb 0.33 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1rr9 h ILE 752 CO -0.39 0.05 -0.20 0.00 -0.69 0.00 0.00 178.15 176.92 1rr9 h ALA 753 N 1.84 1.17 -0.00 1.87 0.00 0.41 -2.93 119.26 121.63 1rr9 h ALA 753 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rr9 h ALA 753 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rr9 h ALA 753 CO -0.02 0.53 -0.22 -0.25 0.00 0.00 0.00 179.25 179.28 1rr9 n ASP 754 N -4.16 0.39 -4.49 0.00 8.00 -0.75 -4.85 116.55 110.70 1rr9 n ASP 754 Ca -0.00 -0.19 -0.33 0.00 0.71 0.00 0.00 54.79 54.97 1rr9 n ASP 754 Cb 0.37 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 1rr9 n ASP 754 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rr9 s LEU 755 N -2.80 3.08 -1.19 0.64 1.02 -1.10 -4.75 118.68 113.58 1rr9 s LEU 755 Ca 0.18 -0.15 -0.07 0.00 0.02 0.00 0.00 54.13 54.11 1rr9 s LEU 755 Cb 0.19 -1.71 0.23 0.00 0.02 0.00 0.00 46.19 44.92 1rr9 s LEU 755 CO 0.57 0.22 1.70 -0.67 0.02 0.00 0.00 176.35 178.20 1rr9 n ASP 756 N 3.16 5.75 -4.69 2.29 4.64 0.26 -4.92 116.55 123.03 1rr9 n ASP 756 Ca -0.18 -3.26 -0.42 0.00 -1.38 0.00 0.00 54.79 49.55 1rr9 n ASP 756 Cb 0.53 -1.38 -0.03 0.00 -1.04 0.00 0.00 41.12 39.20 1rr9 n ASP 756 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1rr9 s ILE 757 N -1.14 2.59 -0.45 5.18 1.01 -1.26 -3.32 121.20 123.80 1rr9 s ILE 757 Ca 0.36 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1rr9 s ILE 757 Cb 0.08 -3.07 0.12 0.00 0.01 0.00 0.00 42.46 39.60 1rr9 s ILE 757 CO 0.05 0.00 0.19 -1.00 0.00 0.00 0.00 174.94 174.19 1rr9 s HIS 758 N 2.67 3.04 0.15 3.97 3.76 -0.88 -4.97 115.29 123.03 1rr9 s HIS 758 Ca 0.80 -2.93 -0.31 0.00 -0.15 0.00 0.00 55.06 52.47 1rr9 s HIS 758 Cb -0.45 -2.63 -0.08 0.00 1.11 0.00 0.00 32.58 30.53 1rr9 s HIS 758 CO 0.36 -0.81 1.38 -2.14 -0.85 0.00 0.00 174.74 172.68 1rr9 s PRO 759 N 0.22 4.33 0.38 8.40 0.02 -1.26 -2.67 135.00 144.42 1rr9 s PRO 759 Ca 0.15 2.10 0.07 0.00 0.02 0.00 0.00 61.00 63.34 1rr9 s PRO 759 Cb -0.24 -3.22 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 1rr9 s PRO 759 CO -0.03 -0.40 0.00 0.14 -0.33 0.00 0.00 177.00 176.38 1rr9 s VAL 760 N 0.80 1.88 0.00 3.83 -7.23 0.55 -4.73 120.40 115.50 1rr9 s VAL 760 Ca 0.63 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1rr9 s VAL 760 Cb -0.37 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1rr9 s VAL 760 CO 0.33 -0.04 0.00 2.29 -0.31 0.00 0.00 175.10 177.37 1rr9 n LYS 761 N -0.88 4.27 -4.48 4.82 2.85 -1.26 0.25 118.16 123.74 1rr9 n LYS 761 Ca -0.05 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.98 1rr9 n LYS 761 Cb 0.66 -0.47 -0.13 0.00 -0.65 0.00 0.00 35.03 34.44 1rr9 n LYS 761 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1rr9 s ARG 762 N -0.26 1.21 0.49 -1.58 0.52 -1.26 -1.77 118.95 116.30 1rr9 s ARG 762 Ca 0.00 -0.97 0.25 0.00 -0.52 0.00 0.00 55.73 54.49 1rr9 s ARG 762 Cb 0.00 -1.35 1.29 0.00 0.52 0.00 0.00 34.95 35.41 1rr9 s ARG 762 CO 0.00 0.33 2.01 0.97 0.02 0.00 0.00 175.30 178.63 1rr9 h ILE 763 N 4.31 0.64 -0.81 1.52 6.09 -1.57 -2.08 117.51 125.61 1rr9 h ILE 763 Ca -0.43 -0.70 0.09 0.00 -1.37 0.00 0.00 64.86 62.46 1rr9 h ILE 763 Cb 1.17 1.44 -0.05 0.00 0.47 0.00 0.00 36.82 39.85 1rr9 h ILE 763 CO 0.43 0.16 0.53 -0.33 -3.07 0.00 0.00 178.15 175.86 1rr9 h GLU 764 N 0.00 0.76 -0.03 2.19 3.07 -1.95 -0.45 114.58 118.17 1rr9 h GLU 764 Ca -0.00 -0.05 -0.26 0.00 -0.50 0.00 0.00 59.36 58.55 1rr9 h GLU 764 Cb 0.43 -0.17 0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1rr9 h GLU 764 CO 0.02 0.50 -1.00 0.93 -1.40 0.00 0.00 179.01 178.07 1rr9 h GLU 765 N 0.78 0.72 -0.11 2.33 5.08 -1.79 -2.71 114.58 118.87 1rr9 h GLU 765 Ca 0.37 -0.73 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1rr9 h GLU 765 Cb 0.39 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1rr9 h GLU 765 CO -0.14 1.31 -0.06 0.28 -1.00 0.00 0.00 179.01 179.40 1rr9 h VAL 766 N 0.42 0.81 -0.73 3.13 2.07 -1.20 -0.99 116.25 119.76 1rr9 h VAL 766 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1rr9 h VAL 766 Cb 1.65 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1rr9 h VAL 766 CO 0.20 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 178.13 1rr9 h LEU 767 N -0.05 0.89 -0.29 2.57 3.38 -1.16 0.74 115.31 121.39 1rr9 h LEU 767 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1rr9 h LEU 767 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1rr9 h LEU 767 CO -0.15 0.71 0.04 0.74 0.09 0.00 0.00 178.44 179.88 1rr9 h THR 768 N 1.00 1.23 0.15 0.22 2.02 -1.15 -0.82 112.91 115.56 1rr9 h THR 768 Ca 0.26 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1rr9 h THR 768 Cb 0.01 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1rr9 h THR 768 CO -0.04 0.26 -0.07 -0.07 0.37 0.00 0.00 175.52 175.96 1rr9 h LEU 769 N 0.29 -0.17 -0.75 2.58 3.38 -1.03 -3.34 115.31 116.27 1rr9 h LEU 769 Ca 0.09 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1rr9 h LEU 769 Cb 0.35 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1rr9 h LEU 769 CO 0.01 0.24 -0.26 0.00 0.09 0.00 0.00 178.44 178.52 1rr9 h ALA 770 N 0.14 0.92 -2.22 1.53 0.00 -0.90 -3.45 119.26 115.28 1rr9 h ALA 770 Ca -0.02 -0.37 -0.48 0.00 0.00 0.00 0.00 54.91 54.04 1rr9 h ALA 770 Cb 0.46 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1rr9 h ALA 770 CO 0.03 0.62 -0.04 -0.51 0.00 0.00 0.00 179.25 179.35 1rr9 s LEU 771 N -8.79 3.73 -0.16 0.00 1.43 -0.32 0.93 118.68 115.50 1rr9 s LEU 771 Ca -0.08 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1rr9 s LEU 771 Cb 0.13 -3.47 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 1rr9 s LEU 771 CO 0.82 -0.56 0.07 1.56 0.23 0.00 0.00 176.35 178.48 1rr9 h GLN 772 N 0.41 0.00 -6.50 1.70 4.20 -1.79 -3.44 115.11 109.69 1rr9 h GLN 772 Ca -0.48 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.71 1rr9 h GLN 772 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1rr9 h GLN 772 CO 0.60 0.48 0.43 -0.80 -0.67 0.00 0.00 178.83 178.88 1rr9 s ASN 773 N -6.21 7.31 -0.35 1.46 0.02 -1.26 -4.90 114.94 111.01 1rr9 s ASN 773 Ca -0.19 1.85 -0.36 0.00 -1.02 0.00 0.00 52.86 53.13 1rr9 s ASN 773 Cb 0.03 -2.58 -0.12 0.00 0.02 0.00 0.00 41.25 38.60 1rr9 s ASN 773 CO 0.39 -0.26 2.18 1.21 0.02 0.00 0.00 177.10 180.64 1rr9 n GLU 774 N 3.39 1.02 0.07 -0.60 4.07 -1.26 -4.80 120.64 122.53 1rr9 n GLU 774 Ca 0.05 0.28 0.05 0.00 -0.06 0.00 0.00 57.16 57.48 1rr9 n GLU 774 Cb 0.49 -2.40 0.49 0.00 -0.06 0.00 0.00 31.44 29.95 1rr9 n GLU 774 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1rr9 h PRO 775 N 12.16 0.37 -5.09 5.31 0.13 -1.91 -3.43 132.00 139.55 1rr9 h PRO 775 Ca -0.26 -0.02 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 1rr9 h PRO 775 Cb 1.33 -0.08 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 1rr9 h PRO 775 CO 1.02 0.25 -0.63 -1.12 -0.23 0.00 0.00 178.00 177.29 1rr9 s SER 776 N -6.78 5.11 0.24 1.44 0.01 -1.26 -4.39 113.70 108.06 1rr9 s SER 776 Ca -0.07 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1rr9 s SER 776 Cb 0.17 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1rr9 s SER 776 CO 0.71 0.05 0.00 0.61 0.41 0.00 0.00 173.24 175.03 1rr9 n GLY 777 N 4.34 -1.29 3.80 3.44 0.00 -0.69 -4.87 105.19 109.92 1rr9 n GLY 777 Ca -0.17 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1rr9 n GLY 777 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rr9 s MET 778 N -2.89 3.66 -0.10 1.61 0.23 -1.26 -4.99 119.30 115.56 1rr9 s MET 778 Ca 0.00 1.27 -0.24 0.00 -1.03 0.00 0.00 55.69 55.69 1rr9 s MET 778 Cb 0.00 -2.08 -0.03 0.00 -1.53 0.00 0.00 34.83 31.19 1rr9 s MET 778 CO 0.00 -0.54 0.75 -0.65 -2.03 0.00 0.00 175.02 172.54 1rr9 s GLN 779 N -3.58 4.38 -0.11 3.16 -0.21 -1.26 -5.05 119.66 116.98 1rr9 s GLN 779 Ca 0.65 0.92 -0.01 0.00 0.02 0.00 0.00 55.36 56.94 1rr9 s GLN 779 Cb -0.16 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 1rr9 s GLN 779 CO 0.26 -0.08 -0.08 0.08 -2.12 0.00 0.00 175.29 173.36 1rr9 s VAL 780 N 1.29 3.59 -0.17 1.09 1.01 -1.26 -5.10 120.40 120.85 1rr9 s VAL 780 Ca 0.38 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1rr9 s VAL 780 Cb -0.17 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1rr9 s VAL 780 CO 0.16 0.54 -0.14 0.54 0.00 0.00 0.00 175.10 176.20 1rr9 s VAL 781 N -0.10 2.70 0.43 2.92 0.11 -1.26 -5.12 120.40 120.09 1rr9 s VAL 781 Ca 0.01 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.37 1rr9 s VAL 781 Cb -0.13 -2.15 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 1rr9 s VAL 781 CO 0.03 0.51 0.13 0.42 -3.33 0.00 0.00 175.10 172.85 1rr9 s THR 782 N 0.95 2.07 -0.12 5.04 -4.23 -1.26 -5.15 115.64 112.94 1rr9 s THR 782 Ca -0.03 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1rr9 s THR 782 Cb -0.15 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1rr9 s THR 782 CO -0.02 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.39 1rr9 s ALA 783 N -2.67 -0.82 -2.00 3.99 0.00 -1.26 -5.36 121.76 113.64 1rr9 s ALA 783 Ca 0.36 0.90 0.15 0.00 0.00 0.00 0.00 51.96 53.37 1rr9 s ALA 783 Cb 0.05 -0.51 0.88 0.00 0.00 0.00 0.00 23.12 23.53 1rr9 s ALA 783 CO 0.19 -0.16 1.29 1.63 0.00 0.00 0.00 175.76 178.71