#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 -0.32 0.03 0.00 1.01 -1.25 -1.05 120.40 118.82 1rr9 s VAL 595 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1rr9 s VAL 595 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1rr9 s VAL 595 CO 0.00 0.08 0.36 -0.83 0.00 0.00 0.00 175.10 174.72 1rr9 s GLY 596 N 2.34 2.36 -0.07 4.51 0.00 0.25 -4.86 107.32 111.85 1rr9 s GLY 596 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1rr9 s GLY 596 CO -0.08 -0.12 -0.07 1.62 0.00 0.00 0.00 173.10 174.46 1rr9 s GLN 597 N -1.57 1.21 -0.00 2.90 0.74 -1.26 -0.84 119.66 120.84 1rr9 s GLN 597 Ca 0.28 -0.20 0.02 0.00 0.05 0.00 0.00 55.36 55.52 1rr9 s GLN 597 Cb -0.14 -1.19 -0.01 0.00 1.10 0.00 0.00 33.01 32.76 1rr9 s GLN 597 CO 0.15 -0.12 -0.08 0.08 -0.55 0.00 0.00 175.29 174.77 1rr9 s VAL 598 N 1.18 0.59 -0.38 1.34 1.01 -0.03 -4.70 120.40 119.41 1rr9 s VAL 598 Ca -0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1rr9 s VAL 598 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1rr9 s VAL 598 CO -0.02 0.11 0.46 0.28 0.00 0.00 0.00 175.10 175.94 1rr9 s THR 599 N -0.28 5.06 0.56 3.92 -1.32 -1.26 0.55 115.64 122.87 1rr9 s THR 599 Ca 0.02 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 60.59 1rr9 s THR 599 Cb -0.03 -3.97 0.05 0.00 -1.51 0.00 0.00 72.50 67.04 1rr9 s THR 599 CO -0.00 -0.28 0.49 -0.83 -2.21 0.00 0.00 174.62 171.79 1rr9 s GLY 600 N 1.79 2.25 -0.05 6.08 0.00 0.21 -2.69 107.32 114.91 1rr9 s GLY 600 Ca 0.15 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1rr9 s GLY 600 CO 0.13 -1.90 -0.05 1.08 0.00 0.00 0.00 173.10 172.36 1rr9 s LEU 601 N -4.38 1.24 0.27 0.66 1.43 -0.58 -0.92 118.68 116.39 1rr9 s LEU 601 Ca 0.39 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1rr9 s LEU 601 Cb -0.03 -0.51 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1rr9 s LEU 601 CO 0.24 -0.07 0.89 0.00 0.23 0.00 0.00 176.35 177.64 1rr9 s ALA 602 N 1.10 -1.24 0.03 4.21 0.00 -1.13 -4.33 121.76 120.41 1rr9 s ALA 602 Ca -0.08 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1rr9 s ALA 602 Cb -0.14 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1rr9 s ALA 602 CO -0.01 -1.03 1.13 -0.46 0.00 0.00 0.00 175.76 175.39 1rr9 s TRP 603 N -2.67 3.49 0.29 0.00 -0.00 -1.25 -0.66 118.94 118.13 1rr9 s TRP 603 Ca 0.16 1.43 0.05 0.00 -0.00 0.00 0.00 56.10 57.73 1rr9 s TRP 603 Cb -0.04 -3.32 -0.06 0.00 -0.00 0.00 0.00 33.47 30.05 1rr9 s TRP 603 CO 0.07 -0.86 0.01 0.95 -0.00 0.00 0.00 176.95 177.12 1rr9 s THR 604 N 1.13 1.29 0.47 5.86 -4.23 -0.85 -2.16 115.64 117.15 1rr9 s THR 604 Ca 0.56 -2.05 0.20 0.00 -1.18 0.00 0.00 61.69 59.23 1rr9 s THR 604 Cb -0.26 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.39 1rr9 s THR 604 CO 0.28 -0.18 1.93 -0.08 -0.54 0.00 0.00 174.62 176.03 1rr9 h GLU 605 N 2.25 0.24 -0.00 3.99 4.81 -0.65 1.65 114.58 126.88 1rr9 h GLU 605 Ca -0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1rr9 h GLU 605 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1rr9 h GLU 605 CO 0.68 0.16 -0.06 0.28 -0.73 0.00 0.00 179.01 179.34 1rr9 n VAL 606 N -4.43 0.00 0.00 0.32 0.31 -1.26 -5.03 118.33 108.24 1rr9 n VAL 606 Ca 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1rr9 n VAL 606 Cb 0.63 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1rr9 n VAL 606 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rr9 n GLY 607 N 1.44 1.22 3.48 2.92 0.00 0.56 -4.94 105.19 109.88 1rr9 n GLY 607 Ca 0.09 -2.16 -0.53 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.08 0.53 3.36 -0.02 0.00 -1.25 -2.01 105.19 105.71 1rr9 n GLY 608 Ca 0.00 0.95 -0.19 0.00 0.00 0.00 0.00 46.02 46.79 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 6.24 1.59 -0.32 1.61 3.68 0.16 -4.37 116.67 125.26 1rr9 s ASP 609 Ca 1.08 -1.47 -0.28 0.00 2.13 0.00 0.00 52.55 54.01 1rr9 s ASP 609 Cb -0.98 0.24 0.01 0.00 -1.45 0.00 0.00 42.92 40.74 1rr9 s ASP 609 CO 0.55 -0.79 1.02 -0.22 0.13 0.00 0.00 175.17 175.86 1rr9 s LEU 610 N -3.38 3.97 0.04 -1.34 2.96 -1.26 -2.82 118.68 116.85 1rr9 s LEU 610 Ca 0.36 0.97 0.07 0.00 -0.22 0.00 0.00 54.13 55.30 1rr9 s LEU 610 Cb 0.07 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 1rr9 s LEU 610 CO 0.15 -0.83 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.43 1rr9 s LEU 611 N 3.51 2.69 -0.50 -0.68 1.43 -0.10 -4.97 118.68 120.06 1rr9 s LEU 611 Ca 0.43 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1rr9 s LEU 611 Cb -0.13 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.64 1rr9 s LEU 611 CO 0.15 0.25 0.42 -0.89 0.23 0.00 0.00 176.35 176.51 1rr9 s THR 612 N -0.95 4.84 -0.14 5.49 2.01 -1.26 0.68 115.64 126.31 1rr9 s THR 612 Ca 0.15 -1.49 -0.28 0.00 0.31 0.00 0.00 61.69 60.38 1rr9 s THR 612 Cb -0.11 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1rr9 s THR 612 CO 0.06 -0.76 0.95 -0.63 -0.69 0.00 0.00 174.62 173.55 1rr9 s ILE 613 N 1.52 4.81 0.17 1.82 1.09 0.19 -3.60 121.20 127.20 1rr9 s ILE 613 Ca 0.04 1.89 0.08 0.00 -1.10 0.00 0.00 60.65 61.56 1rr9 s ILE 613 Cb -0.27 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 36.84 1rr9 s ILE 613 CO 0.03 -0.01 -0.02 -1.61 -0.10 0.00 0.00 174.94 173.22 1rr9 s GLU 614 N 2.21 2.32 -0.19 2.79 2.02 0.11 -0.85 118.70 127.12 1rr9 s GLU 614 Ca 0.44 -1.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.23 1rr9 s GLU 614 Cb -0.17 -2.32 0.09 0.00 0.10 0.00 0.00 34.13 31.83 1rr9 s GLU 614 CO 0.14 0.45 0.39 0.99 0.02 0.00 0.00 175.26 177.26 1rr9 s THR 615 N -1.70 -0.62 0.02 3.63 2.01 -0.02 -1.46 115.64 117.50 1rr9 s THR 615 Ca 0.27 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 1rr9 s THR 615 Cb -0.09 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1rr9 s THR 615 CO 0.18 0.07 0.24 0.00 -0.69 0.00 0.00 174.62 174.41 1rr9 s ALA 616 N 2.58 3.90 -0.38 7.40 0.00 0.16 0.88 121.76 136.31 1rr9 s ALA 616 Ca -0.00 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1rr9 s ALA 616 Cb -0.12 -1.97 0.32 0.00 0.00 0.00 0.00 23.12 21.35 1rr9 s ALA 616 CO -0.12 0.71 0.70 0.00 0.00 0.00 0.00 175.76 177.04 1rr9 s VAL 618 N -1.93 2.18 0.36 0.00 -7.23 -1.10 -4.75 120.40 107.94 1rr9 s VAL 618 Ca 0.38 -0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 60.03 1rr9 s VAL 618 Cb 0.30 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 1rr9 s VAL 618 CO -0.09 0.00 1.43 -2.16 -0.31 0.00 0.00 175.10 173.97 1rr9 s PRO 619 N -5.38 4.19 0.00 4.82 0.04 -1.26 0.00 135.00 137.41 1rr9 s PRO 619 Ca 0.63 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1rr9 s PRO 619 Cb -0.09 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1rr9 s PRO 619 CO 0.47 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1rr9 n GLY 620 N 0.57 1.51 0.68 0.56 0.00 -0.92 -4.38 105.19 103.22 1rr9 n GLY 620 Ca 0.01 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 1.41 0.00 1.61 4.76 -1.26 -2.35 118.16 122.34 1rr9 n LYS 621 Ca 0.00 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 1rr9 n LYS 621 Cb 0.00 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 0.94 1.19 3.75 0.72 0.00 -0.28 -4.58 105.19 106.92 1rr9 n GLY 622 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1rr9 n GLY 622 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rr9 s LYS 623 N -0.11 3.83 -0.24 1.61 2.47 -1.25 -4.97 119.74 121.07 1rr9 s LYS 623 Ca 0.00 -0.24 -0.11 0.00 -1.56 0.00 0.00 55.97 54.06 1rr9 s LYS 623 Cb 0.00 -3.25 -0.05 0.00 -1.46 0.00 0.00 37.83 33.07 1rr9 s LYS 623 CO 0.00 0.46 0.20 -1.17 0.16 0.00 0.00 175.35 175.01 1rr9 s LEU 624 N -0.13 4.10 -0.02 5.43 2.96 -1.26 -1.67 118.68 128.09 1rr9 s LEU 624 Ca 0.09 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 1rr9 s LEU 624 Cb -0.12 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 1rr9 s LEU 624 CO 0.01 0.01 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.96 1rr9 s THR 625 N 1.27 1.55 -0.08 3.68 2.01 0.18 -5.00 115.64 119.26 1rr9 s THR 625 Ca 0.09 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1rr9 s THR 625 Cb -0.14 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1rr9 s THR 625 CO 0.06 0.44 0.18 -0.72 -0.69 0.00 0.00 174.62 173.90 1rr9 s TYR 626 N -0.41 -0.22 0.28 4.92 -0.85 -1.26 -0.34 117.35 119.47 1rr9 s TYR 626 Ca 0.06 0.58 0.03 0.00 -0.52 0.00 0.00 57.07 57.22 1rr9 s TYR 626 Cb -0.08 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 1rr9 s TYR 626 CO -0.00 -0.17 0.19 0.95 -1.52 0.00 0.00 175.55 175.00 1rr9 s THR 627 N 0.95 0.12 0.00 -3.49 -4.23 -0.14 -4.97 115.64 103.89 1rr9 s THR 627 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1rr9 s THR 627 Cb -0.09 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1rr9 s THR 627 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1rr9 n GLY 628 N -0.51 1.08 3.84 3.99 0.00 -1.26 -2.27 105.19 110.07 1rr9 n GLY 628 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.68 -4.77 1.61 7.64 -1.23 -4.52 113.62 110.67 1rr9 n SER 629 Ca 0.00 -0.98 -0.38 0.00 1.01 0.00 0.00 58.87 58.52 1rr9 n SER 629 Cb 0.00 -3.31 -0.06 0.00 -1.01 0.00 0.00 64.21 59.83 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 -6.79 4.39 0.87 -3.43 1.43 -1.26 -0.42 118.68 113.47 1rr9 s LEU 630 Ca 0.12 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 1rr9 s LEU 630 Cb -0.04 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.52 1rr9 s LEU 630 CO 0.87 0.13 1.15 -0.83 0.23 0.00 0.00 176.35 177.90 1rr9 s GLY 631 N -0.17 1.58 0.24 -3.19 0.00 0.92 -4.84 107.32 101.87 1rr9 s GLY 631 Ca 0.28 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.37 1rr9 s GLY 631 CO 0.14 -0.04 1.88 0.83 0.00 0.00 0.00 173.10 175.92 1rr9 h GLU 632 N -1.32 1.25 -0.86 2.90 5.08 -1.98 -1.86 114.58 117.78 1rr9 h GLU 632 Ca -0.49 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 1rr9 h GLU 632 Cb 1.33 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1rr9 h GLU 632 CO 0.63 0.89 0.44 0.28 -1.00 0.00 0.00 179.01 180.26 1rr9 h VAL 633 N 1.27 1.26 -0.04 3.13 2.07 -1.93 0.04 116.25 122.04 1rr9 h VAL 633 Ca 0.32 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 1rr9 h VAL 633 Cb -0.02 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1rr9 h VAL 633 CO -0.06 0.30 -0.58 -0.03 0.02 0.00 0.00 177.57 177.22 1rr9 h MET 634 N 1.22 0.14 -0.37 1.57 1.85 -1.42 -2.34 114.93 115.59 1rr9 h MET 634 Ca 0.30 -0.09 -0.15 0.00 -0.61 0.00 0.00 59.70 59.15 1rr9 h MET 634 Cb 0.07 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1rr9 h MET 634 CO -0.04 0.68 -0.36 1.96 -0.40 0.00 0.00 176.91 178.75 1rr9 h GLN 635 N 0.11 0.86 0.00 0.39 4.20 -0.70 -2.76 115.11 117.21 1rr9 h GLN 635 Ca -0.00 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.20 1rr9 h GLN 635 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1rr9 h GLN 635 CO 0.08 1.07 -0.35 0.93 -0.67 0.00 0.00 178.83 179.89 1rr9 h GLU 636 N 0.71 0.00 0.00 1.46 5.08 -0.84 -2.00 114.58 118.99 1rr9 h GLU 636 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1rr9 h GLU 636 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1rr9 h GLU 636 CO 0.09 0.35 -0.21 0.66 -1.00 0.00 0.00 179.01 178.90 1rr9 h SER 637 N 0.00 0.00 -0.03 1.42 4.64 -1.14 0.25 113.55 118.69 1rr9 h SER 637 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1rr9 h SER 637 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1rr9 h SER 637 CO 0.05 0.21 -0.17 0.40 -0.87 0.00 0.00 176.83 176.45 1rr9 h ILE 638 N 0.00 1.49 -0.72 0.95 2.04 -1.19 -0.45 117.51 119.63 1rr9 h ILE 638 Ca -0.00 -1.68 0.05 0.00 1.00 0.00 0.00 64.86 64.23 1rr9 h ILE 638 Cb 0.67 2.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 1rr9 h ILE 638 CO 0.03 0.46 0.43 1.56 0.00 0.00 0.00 178.15 180.63 1rr9 h GLN 639 N -0.42 0.78 -0.48 2.37 4.20 -1.05 -1.06 115.11 119.44 1rr9 h GLN 639 Ca -0.01 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1rr9 h GLN 639 Cb 0.84 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1rr9 h GLN 639 CO 0.04 0.52 -0.07 0.00 -0.67 0.00 0.00 178.83 178.64 1rr9 h ALA 640 N 1.34 0.97 -0.07 3.87 0.00 -0.93 -2.63 119.26 121.81 1rr9 h ALA 640 Ca 0.31 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1rr9 h ALA 640 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rr9 h ALA 640 CO -0.16 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.41 1rr9 h ALA 641 N 1.14 1.37 0.04 0.00 0.00 -0.19 -2.70 119.26 118.91 1rr9 h ALA 641 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rr9 h ALA 641 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rr9 h ALA 641 CO 0.03 0.45 -0.02 1.25 0.00 0.00 0.00 179.25 180.97 1rr9 h LEU 642 N 0.12 -0.04 -1.99 0.00 5.85 -1.10 -3.08 115.31 115.07 1rr9 h LEU 642 Ca 0.02 -0.66 0.24 0.00 0.84 0.00 0.00 57.88 58.32 1rr9 h LEU 642 Cb 0.60 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1rr9 h LEU 642 CO 0.04 0.69 0.61 0.74 -0.34 0.00 0.00 178.44 180.19 1rr9 h THR 643 N -0.83 0.54 -0.21 1.05 2.02 -1.46 0.34 112.91 114.36 1rr9 h THR 643 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1rr9 h THR 643 Cb 0.69 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1rr9 h THR 643 CO 0.01 0.00 -0.23 0.58 0.37 0.00 0.00 175.52 176.24 1rr9 h VAL 644 N 0.00 1.33 -0.06 3.16 2.07 -1.47 0.16 116.25 121.43 1rr9 h VAL 644 Ca 0.39 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1rr9 h VAL 644 Cb 1.61 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1rr9 h VAL 644 CO -0.00 0.43 0.01 0.58 0.02 0.00 0.00 177.57 178.61 1rr9 h VAL 645 N 0.22 1.22 -0.64 2.57 2.07 -0.44 -1.16 116.25 120.07 1rr9 h VAL 645 Ca 0.03 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1rr9 h VAL 645 Cb 0.79 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1rr9 h VAL 645 CO 0.06 0.18 0.43 0.03 0.02 0.00 0.00 177.57 178.29 1rr9 h ARG 646 N -0.14 0.66 0.00 1.57 3.08 -0.48 0.66 114.38 119.73 1rr9 h ARG 646 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rr9 h ARG 646 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1rr9 h ARG 646 CO 0.00 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 1rr9 h ALA 647 N 1.64 1.00 0.00 0.04 0.00 -0.38 -3.16 119.26 118.40 1rr9 h ALA 647 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rr9 h ALA 647 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rr9 h ALA 647 CO -0.08 0.00 -0.02 0.54 0.00 0.00 0.00 179.25 179.69 1rr9 n ARG 648 N -2.67 1.42 -0.02 0.00 1.74 -0.15 -4.92 116.66 112.07 1rr9 n ARG 648 Ca 0.04 -2.40 -0.01 0.00 -0.77 0.00 0.00 57.85 54.71 1rr9 n ARG 648 Cb 0.43 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1rr9 n ARG 648 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rr9 n ALA 649 N -1.29 -0.03 0.05 7.54 0.00 0.21 -1.43 120.51 125.57 1rr9 n ALA 649 Ca 0.14 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.55 1rr9 n ALA 649 Cb 0.60 0.32 0.10 0.00 0.00 0.00 0.00 19.45 20.47 1rr9 n ALA 649 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rr9 h GLU 650 N 0.00 0.39 -0.65 0.00 4.11 -1.84 0.26 114.58 116.85 1rr9 h GLU 650 Ca 0.01 -0.25 0.04 0.00 0.07 0.00 0.00 59.36 59.23 1rr9 h GLU 650 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1rr9 h GLU 650 CO -0.05 0.85 0.43 0.87 0.07 0.00 0.00 179.01 181.17 1rr9 h LYS 651 N 0.30 0.71 -0.04 1.06 1.57 -1.78 0.30 116.57 118.68 1rr9 h LYS 651 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1rr9 h LYS 651 Cb 1.07 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1rr9 h LYS 651 CO 0.10 0.47 0.00 1.28 -0.57 0.00 0.00 179.45 180.72 1rr9 n LEU 652 N -4.47 0.30 -0.88 2.94 4.77 -0.51 -4.87 117.00 114.29 1rr9 n LEU 652 Ca 0.08 -0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1rr9 n LEU 652 Cb 0.17 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1rr9 n LEU 652 CO 0.34 0.07 -0.10 0.61 -1.33 0.00 0.00 177.39 176.98 1rr9 n GLY 653 N 0.77 0.58 3.58 -0.72 0.00 0.11 -4.99 105.19 104.52 1rr9 n GLY 653 Ca 0.11 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.40 4.35 -0.35 -0.61 1.01 0.88 -4.97 121.20 119.11 1rr9 s ILE 654 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1rr9 s ILE 654 Cb 0.00 -2.93 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 1rr9 s ILE 654 CO 0.00 0.49 2.28 -3.20 0.00 0.00 0.00 174.94 174.51 1rr9 n ASN 655 N 3.44 2.63 -4.51 3.58 4.05 -1.26 -2.91 115.26 120.27 1rr9 n ASN 655 Ca -0.17 0.10 -0.32 0.00 0.45 0.00 0.00 54.58 54.64 1rr9 n ASN 655 Cb 0.52 -1.46 0.16 0.00 1.23 0.00 0.00 39.78 40.23 1rr9 n ASN 655 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1rr9 n PRO 656 N 8.66 -0.69 -1.51 1.20 -0.04 -1.26 -1.81 135.00 139.55 1rr9 n PRO 656 Ca 0.36 -0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1rr9 n PRO 656 Cb 0.39 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 1rr9 n PRO 656 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rr9 n ASP 657 N -2.88 -4.49 0.09 3.54 10.43 -1.26 -4.85 116.55 117.12 1rr9 n ASP 657 Ca 0.08 0.27 -0.08 0.00 2.57 0.00 0.00 54.79 57.63 1rr9 n ASP 657 Cb 0.54 -3.22 -0.03 0.00 1.84 0.00 0.00 41.12 40.25 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 0.00 0.24 0.00 1.24 -5.15 -1.74 -2.91 116.94 108.62 1rr9 h PHE 658 Ca -0.27 -0.14 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 1rr9 h PHE 658 Cb 0.91 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.05 1rr9 h PHE 658 CO 0.36 0.98 0.00 0.98 -2.00 0.00 0.00 178.31 178.63 1rr9 n TYR 659 N -3.61 0.00 0.02 6.09 -0.00 -1.26 -1.29 117.16 117.11 1rr9 n TYR 659 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.90 1rr9 n TYR 659 Cb 0.83 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.34 40.06 1rr9 n TYR 659 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1rr9 n GLU 660 N -1.02 0.64 -0.33 2.98 2.13 -1.10 -3.24 120.64 120.71 1rr9 n GLU 660 Ca 0.11 0.08 0.06 0.00 0.66 0.00 0.00 57.16 58.07 1rr9 n GLU 660 Cb 0.05 -1.71 0.10 0.00 0.27 0.00 0.00 31.44 30.15 1rr9 n GLU 660 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1rr9 n LYS 661 N -2.69 0.84 -4.03 5.31 2.85 -0.42 -4.40 118.16 115.62 1rr9 n LYS 661 Ca -0.10 -2.12 -0.11 0.00 -1.05 0.00 0.00 58.31 54.93 1rr9 n LYS 661 Cb 0.77 -1.12 -0.11 0.00 -0.65 0.00 0.00 35.03 33.92 1rr9 n LYS 661 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1rr9 s ARG 662 N -1.85 0.43 0.08 -1.58 1.81 -0.41 -2.16 118.95 115.27 1rr9 s ARG 662 Ca 0.23 -0.69 0.08 0.00 -1.72 0.00 0.00 55.73 53.62 1rr9 s ARG 662 Cb 0.21 -0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1rr9 s ARG 662 CO 0.00 0.00 -0.16 -0.51 -0.68 0.00 0.00 175.30 173.96 1rr9 s ASP 663 N -1.53 4.02 -0.07 0.23 -0.00 0.10 -1.13 116.67 118.29 1rr9 s ASP 663 Ca -0.13 -0.45 0.01 0.00 -0.00 0.00 0.00 52.55 51.98 1rr9 s ASP 663 Cb -0.10 -0.66 0.02 0.00 -0.00 0.00 0.00 42.92 42.18 1rr9 s ASP 663 CO -0.00 0.21 -0.07 -0.63 -0.00 0.00 0.00 175.17 174.67 1rr9 s ILE 664 N -1.08 0.85 -0.16 0.77 1.01 -0.67 -2.70 121.20 119.22 1rr9 s ILE 664 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1rr9 s ILE 664 Cb -0.11 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1rr9 s ILE 664 CO 0.09 0.31 -0.12 -2.28 0.00 0.00 0.00 174.94 172.95 1rr9 s HIS 665 N 1.16 2.16 -0.26 3.97 2.46 -0.60 0.51 115.29 124.71 1rr9 s HIS 665 Ca -0.06 -1.29 -0.08 0.00 0.47 0.00 0.00 55.06 54.10 1rr9 s HIS 665 Cb -0.14 -1.56 -0.03 0.00 -0.13 0.00 0.00 32.58 30.72 1rr9 s HIS 665 CO -0.02 -0.68 0.09 0.08 -2.47 0.00 0.00 174.74 171.74 1rr9 s VAL 666 N 1.49 4.43 -0.07 0.89 1.01 0.54 0.40 120.40 129.10 1rr9 s VAL 666 Ca 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1rr9 s VAL 666 Cb -0.14 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1rr9 s VAL 666 CO -0.10 0.31 -0.16 -2.28 0.00 0.00 0.00 175.10 172.88 1rr9 s HIS 667 N 1.63 1.76 -0.50 5.22 2.46 -0.54 -0.97 115.29 124.35 1rr9 s HIS 667 Ca 0.06 -0.64 -0.04 0.00 0.47 0.00 0.00 55.06 54.91 1rr9 s HIS 667 Cb -0.15 -1.23 0.13 0.00 -0.13 0.00 0.00 32.58 31.20 1rr9 s HIS 667 CO 0.05 -0.28 0.32 0.08 -2.47 0.00 0.00 174.74 172.43 1rr9 s VAL 668 N 0.44 3.62 0.45 0.89 1.01 -0.96 -0.71 120.40 125.14 1rr9 s VAL 668 Ca -0.13 -2.34 -0.20 0.00 0.00 0.00 0.00 61.98 59.31 1rr9 s VAL 668 Cb -0.15 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.67 1rr9 s VAL 668 CO 0.05 -0.78 0.12 -2.65 0.00 0.00 0.00 175.10 171.84 1rr9 n PRO 669 N 4.25 0.12 -0.70 2.72 -0.02 -1.24 -4.17 135.00 135.96 1rr9 n PRO 669 Ca 0.01 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1rr9 n PRO 669 Cb 0.40 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1rr9 n PRO 669 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rr9 n GLU 670 N 1.15 0.00 0.27 -0.52 -0.58 -1.26 -4.79 120.64 114.91 1rr9 n GLU 670 Ca 0.10 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.99 1rr9 n GLU 670 Cb 0.43 -0.85 0.67 0.00 -0.57 0.00 0.00 31.44 31.12 1rr9 n GLU 670 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1rr9 h GLY 671 N 0.00 0.00 1.29 0.62 0.00 -1.86 0.21 103.07 103.33 1rr9 h GLY 671 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1rr9 h GLY 671 CO 0.00 0.00 -0.95 0.00 0.00 0.00 0.00 176.54 175.59 1rr9 h ALA 672 N 1.14 0.65 -2.02 3.60 0.00 -1.92 -3.25 119.26 117.45 1rr9 h ALA 672 Ca 0.06 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1rr9 h ALA 672 Cb 1.03 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1rr9 h ALA 672 CO -0.00 0.46 0.86 0.99 0.00 0.00 0.00 179.25 181.55 1rr9 s THR 673 N -3.11 4.48 0.45 0.00 2.01 0.73 -4.97 115.64 115.23 1rr9 s THR 673 Ca 0.00 1.74 -0.25 0.00 0.31 0.00 0.00 61.69 63.49 1rr9 s THR 673 Cb 0.08 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 1rr9 s THR 673 CO 0.78 -0.34 1.32 -2.65 -0.69 0.00 0.00 174.62 173.04 1rr9 n PRO 674 N 6.72 1.98 -3.81 4.92 -0.02 -1.26 -4.58 135.00 138.94 1rr9 n PRO 674 Ca 0.13 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.19 1rr9 n PRO 674 Cb 0.46 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 1rr9 n PRO 674 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rr9 s LYS 675 N -2.36 0.40 0.15 -0.52 1.02 0.44 0.09 119.74 118.97 1rr9 s LYS 675 Ca 0.62 0.00 -0.24 0.00 0.02 0.00 0.00 55.97 56.37 1rr9 s LYS 675 Cb -0.48 0.18 0.07 0.00 -0.52 0.00 0.00 37.83 37.09 1rr9 s LYS 675 CO 0.57 -0.08 1.02 0.34 -0.92 0.00 0.00 175.35 176.27 1rr9 s ASP 676 N -0.60 -0.10 0.00 2.83 2.15 -0.92 -0.06 116.67 119.98 1rr9 s ASP 676 Ca -0.07 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.42 1rr9 s ASP 676 Cb -0.04 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1rr9 s ASP 676 CO 0.01 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1rr9 n GLY 677 N -0.56 1.99 0.85 2.66 0.00 -1.26 -3.83 105.19 105.04 1rr9 n GLY 677 Ca -0.05 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 0.83 2.07 0.31 1.61 -0.04 -1.26 -3.11 135.00 135.41 1rr9 n PRO 678 Ca 0.00 -1.72 0.21 0.00 -0.04 0.00 0.00 63.50 61.95 1rr9 n PRO 678 Cb 0.00 -1.46 1.05 0.00 -0.04 0.00 0.00 33.50 33.04 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 4.50 1.00 -0.40 0.55 0.00 -1.88 -2.37 119.26 120.65 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 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rr9 h ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1rr9 n ALA 680 N -2.06 2.44 -0.08 0.00 0.00 -1.26 0.01 120.51 119.57 1rr9 n ALA 680 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 1rr9 n ALA 680 Cb 0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 4.97 0.27 1.85 0.00 0.00 -1.23 0.23 103.07 109.17 1rr9 h GLY 681 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1rr9 h GLY 681 CO 0.00 -0.08 -0.14 0.16 0.00 0.00 0.00 176.54 176.48 1rr9 h ILE 682 N 0.06 1.17 -0.07 2.60 3.07 -1.75 -1.93 117.51 120.67 1rr9 h ILE 682 Ca 0.14 -0.75 -0.18 0.00 1.55 0.00 0.00 64.86 65.62 1rr9 h ILE 682 Cb 0.20 1.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.98 1rr9 h ILE 682 CO -0.26 0.23 -0.73 0.00 -1.05 0.00 0.00 178.15 176.34 1rr9 h ALA 683 N 1.68 0.62 -0.45 0.16 0.00 -1.64 -1.28 119.26 118.36 1rr9 h ALA 683 Ca 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1rr9 h ALA 683 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1rr9 h ALA 683 CO 0.02 0.78 0.09 0.52 0.00 0.00 0.00 179.25 180.66 1rr9 h MET 684 N 0.24 0.73 -0.34 0.00 2.86 -0.50 -0.39 114.93 117.53 1rr9 h MET 684 Ca -0.03 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1rr9 h MET 684 Cb 1.30 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1rr9 h MET 684 CO 0.12 0.74 -0.13 0.00 1.06 0.00 0.00 176.91 178.70 1rr9 h THR 686 N 0.54 1.18 0.04 0.00 2.02 -0.82 -1.87 112.91 114.00 1rr9 h THR 686 Ca 0.10 -2.01 -0.23 0.00 0.77 0.00 0.00 66.41 65.04 1rr9 h THR 686 Cb 0.54 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1rr9 h THR 686 CO 0.03 0.53 -1.02 0.00 0.37 0.00 0.00 175.52 175.43 1rr9 h ALA 687 N 1.46 0.34 0.43 6.16 0.00 -0.83 -2.50 119.26 124.31 1rr9 h ALA 687 Ca -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 1rr9 h ALA 687 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rr9 h ALA 687 CO 0.07 0.97 -0.21 -0.07 0.00 0.00 0.00 179.25 180.01 1rr9 h LEU 688 N 0.10 -0.49 -0.78 0.00 3.38 -1.35 0.12 115.31 116.30 1rr9 h LEU 688 Ca -0.07 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 57.96 1rr9 h LEU 688 Cb 1.71 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 42.47 1rr9 h LEU 688 CO 0.16 -0.09 0.25 0.58 0.09 0.00 0.00 178.44 179.43 1rr9 h VAL 689 N -0.97 0.53 0.00 1.22 2.07 -1.44 0.32 116.25 117.99 1rr9 h VAL 689 Ca -0.06 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1rr9 h VAL 689 Cb 0.56 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1rr9 h VAL 689 CO 0.10 0.06 -0.43 -1.28 0.02 0.00 0.00 177.57 176.04 1rr9 h SER 690 N 0.34 0.00 -0.00 0.57 0.87 -1.39 -2.15 113.55 111.78 1rr9 h SER 690 Ca 0.45 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1rr9 h SER 690 Cb 0.77 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1rr9 h SER 690 CO -0.49 0.43 -0.40 0.00 -0.53 0.00 0.00 176.83 175.83 1rr9 h LEU 692 N -0.32 0.00 0.00 0.00 3.38 -0.66 -3.32 115.31 114.39 1rr9 h LEU 692 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rr9 h LEU 692 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rr9 h LEU 692 CO 0.08 0.00 -0.55 0.35 0.09 0.00 0.00 178.44 178.41 1rr9 n THR 693 N -2.39 0.00 -0.62 0.22 -2.24 -0.81 -4.91 114.28 103.53 1rr9 n THR 693 Ca 0.04 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1rr9 n THR 693 Cb 0.37 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.41 1.76 3.64 3.38 0.00 -0.89 -4.98 105.19 109.51 1rr9 n GLY 694 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.38 6.57 0.81 1.61 3.04 -1.23 -4.98 114.94 117.39 1rr9 s ASN 695 Ca 0.00 1.61 -0.12 0.00 0.04 0.00 0.00 52.86 54.39 1rr9 s ASN 695 Cb 0.00 -2.53 0.08 0.00 -1.54 0.00 0.00 41.25 37.26 1rr9 s ASN 695 CO 0.00 -1.09 1.17 -2.84 -3.04 0.00 0.00 177.10 171.29 1rr9 s PRO 696 N 4.29 1.71 -0.08 0.43 0.02 -1.26 -4.49 135.00 135.63 1rr9 s PRO 696 Ca 0.65 1.60 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1rr9 s PRO 696 Cb -0.23 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1rr9 s PRO 696 CO 0.25 -2.12 -0.09 0.08 -0.33 0.00 0.00 177.00 174.79 1rr9 s VAL 697 N -2.37 3.47 0.13 3.83 1.01 -1.26 -1.17 120.40 124.03 1rr9 s VAL 697 Ca 0.70 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1rr9 s VAL 697 Cb -0.25 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1rr9 s VAL 697 CO 0.52 0.58 1.21 -0.13 0.00 0.00 0.00 175.10 177.27 1rr9 s ARG 698 N -0.58 4.46 0.41 2.72 0.52 -0.92 -4.82 118.95 120.74 1rr9 s ARG 698 Ca 0.08 1.84 0.26 0.00 -0.52 0.00 0.00 55.73 57.40 1rr9 s ARG 698 Cb -0.12 -3.28 0.74 0.00 0.52 0.00 0.00 34.95 32.81 1rr9 s ARG 698 CO 0.02 -0.17 1.74 0.00 0.02 0.00 0.00 175.30 176.91 1rr9 h ALA 699 N 5.97 1.00 -0.32 2.13 0.00 -1.95 -3.09 119.26 123.00 1rr9 h ALA 699 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rr9 h ALA 699 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rr9 h ALA 699 CO 0.78 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.63 1rr9 n ASP 700 N -2.87 2.81 -4.20 0.00 5.75 -1.26 -4.82 116.55 111.96 1rr9 n ASP 700 Ca 0.03 -2.28 -0.29 0.00 -0.01 0.00 0.00 54.79 52.24 1rr9 n ASP 700 Cb 0.43 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 39.90 1rr9 n ASP 700 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1rr9 s VAL 701 N -1.73 1.79 0.11 2.12 1.01 -1.17 -0.98 120.40 121.54 1rr9 s VAL 701 Ca 0.26 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1rr9 s VAL 701 Cb 0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1rr9 s VAL 701 CO 0.12 0.50 -0.12 0.00 0.00 0.00 0.00 175.10 175.59 1rr9 s ALA 702 N -0.00 1.32 0.08 5.51 0.00 -0.29 -4.40 121.76 123.99 1rr9 s ALA 702 Ca -0.06 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1rr9 s ALA 702 Cb -0.13 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1rr9 s ALA 702 CO 0.04 0.05 0.26 0.00 0.00 0.00 0.00 175.76 176.10 1rr9 s MET 703 N -2.67 0.87 -0.10 0.00 0.23 -1.10 -0.64 119.30 115.89 1rr9 s MET 703 Ca 0.07 -0.77 -0.12 0.00 -1.03 0.00 0.00 55.69 53.83 1rr9 s MET 703 Cb -0.04 0.37 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 1rr9 s MET 703 CO 0.02 -0.29 0.33 0.99 -2.03 0.00 0.00 175.02 174.04 1rr9 s THR 704 N -3.44 0.01 0.00 3.16 2.01 -0.21 -1.52 115.64 115.65 1rr9 s THR 704 Ca 0.01 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1rr9 s THR 704 Cb 0.02 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1rr9 s THR 704 CO -0.09 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 1rr9 n GLY 705 N 2.51 3.57 3.77 4.40 0.00 0.10 -3.60 105.19 115.93 1rr9 n GLY 705 Ca -0.15 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.81 4.15 -0.13 1.61 2.12 -0.81 -2.74 118.70 121.09 1rr9 s GLU 706 Ca 0.00 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.59 1rr9 s GLU 706 Cb 0.00 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1rr9 s GLU 706 CO 0.00 0.37 0.09 -1.50 -0.54 0.00 0.00 175.26 173.68 1rr9 s ILE 707 N -0.03 5.03 0.40 -3.70 2.07 -1.26 0.10 121.20 123.82 1rr9 s ILE 707 Ca 0.22 0.03 0.08 0.00 -1.41 0.00 0.00 60.65 59.57 1rr9 s ILE 707 Cb -0.15 -3.20 -0.02 0.00 0.13 0.00 0.00 42.46 39.23 1rr9 s ILE 707 CO 0.09 0.57 0.41 0.42 -1.91 0.00 0.00 174.94 174.52 1rr9 s THR 708 N -0.59 2.87 0.25 4.00 -4.23 -0.82 -4.91 115.64 112.22 1rr9 s THR 708 Ca 0.11 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1rr9 s THR 708 Cb -0.12 -3.03 0.06 0.00 1.34 0.00 0.00 72.50 70.75 1rr9 s THR 708 CO 0.02 -0.03 1.69 -0.07 -0.54 0.00 0.00 174.62 175.69 1rr9 h LEU 709 N 0.98 0.67 -2.14 4.79 3.38 -1.89 -2.25 115.31 118.84 1rr9 h LEU 709 Ca -0.42 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1rr9 h LEU 709 Cb 1.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1rr9 h LEU 709 CO 0.55 0.86 0.00 0.08 0.09 0.00 0.00 178.44 180.02 1rr9 h ARG 710 N 0.60 0.00 0.00 1.13 0.11 -1.98 -3.45 114.38 110.79 1rr9 h ARG 710 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1rr9 h ARG 710 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1rr9 h ARG 710 CO 0.05 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.53 1rr9 n GLY 711 N -0.49 0.66 3.78 0.08 0.00 -0.85 -5.00 105.19 103.36 1rr9 n GLY 711 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1rr9 n GLY 711 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rr9 s GLN 712 N -0.65 3.26 -0.23 1.61 -1.52 -1.26 -1.70 119.66 119.16 1rr9 s GLN 712 Ca 0.00 1.50 -0.07 0.00 -1.95 0.00 0.00 55.36 54.83 1rr9 s GLN 712 Cb 0.00 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.76 1rr9 s GLN 712 CO 0.00 -0.90 0.06 0.08 -0.25 0.00 0.00 175.29 174.28 1rr9 s VAL 713 N -1.99 4.37 0.08 1.09 1.01 -0.66 -1.94 120.40 122.35 1rr9 s VAL 713 Ca 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1rr9 s VAL 713 Cb -0.22 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1rr9 s VAL 713 CO 0.31 0.37 0.26 -0.76 0.00 0.00 0.00 175.10 175.28 1rr9 s LEU 714 N 1.35 4.33 0.63 3.92 1.43 0.29 -4.69 118.68 125.93 1rr9 s LEU 714 Ca 0.05 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 1rr9 s LEU 714 Cb -0.15 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 1rr9 s LEU 714 CO 0.03 0.14 1.20 -2.16 0.23 0.00 0.00 176.35 175.80 1rr9 s PRO 715 N -2.47 2.77 0.46 1.29 0.04 -1.26 -1.91 135.00 133.91 1rr9 s PRO 715 Ca 0.36 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1rr9 s PRO 715 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1rr9 s PRO 715 CO 0.26 -1.36 0.03 0.44 0.04 0.00 0.00 177.00 176.41 1rr9 n ILE 716 N -1.91 0.00 -4.06 0.56 -6.64 -1.26 -4.71 119.36 101.34 1rr9 n ILE 716 Ca 0.13 -2.12 -0.28 0.00 -1.77 0.00 0.00 62.75 58.71 1rr9 n ILE 716 Cb 0.50 0.39 -0.02 0.00 -1.44 0.00 0.00 39.64 39.07 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 -3.53 2.52 -1.47 3.28 0.00 -1.26 -4.75 107.32 102.11 1rr9 s GLY 717 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1rr9 s GLY 717 CO 0.01 -2.00 1.06 0.61 0.00 0.00 0.00 173.10 172.78 1rr9 n GLY 718 N -1.70 -0.52 0.34 0.20 0.00 -1.26 -4.89 105.19 97.36 1rr9 n GLY 718 Ca -0.05 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.33 0.90 0.42 0.99 6.46 -1.97 -2.61 115.31 117.17 1rr9 h LEU 719 Ca -0.57 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 1rr9 h LEU 719 Cb 1.37 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 1rr9 h LEU 719 CO 0.63 0.57 -0.50 0.50 -0.62 0.00 0.00 178.44 179.02 1rr9 h LYS 720 N 1.03 -0.91 0.00 1.25 1.63 -1.91 -0.12 116.57 117.54 1rr9 h LYS 720 Ca 0.40 0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.21 1rr9 h LYS 720 Cb 0.19 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1rr9 h LYS 720 CO -0.18 -0.60 -0.25 1.05 -3.45 0.00 0.00 179.45 176.02 1rr9 h GLU 721 N -0.94 0.00 0.20 1.90 4.11 -1.89 0.17 114.58 118.13 1rr9 h GLU 721 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1rr9 h GLU 721 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1rr9 h GLU 721 CO -0.10 0.25 -0.10 0.87 0.07 0.00 0.00 179.01 180.00 1rr9 h LYS 722 N 0.00 -0.26 -0.14 1.06 1.57 -1.23 -2.09 116.57 115.48 1rr9 h LYS 722 Ca -0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1rr9 h LYS 722 Cb 0.44 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1rr9 h LYS 722 CO 0.03 0.12 -0.25 -0.07 -0.57 0.00 0.00 179.45 178.72 1rr9 h LEU 723 N -0.71 0.25 -0.99 2.94 4.07 -0.85 -1.48 115.31 118.54 1rr9 h LEU 723 Ca -0.03 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 1rr9 h LEU 723 Cb 0.49 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1rr9 h LEU 723 CO 0.04 0.51 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.58 1rr9 h LEU 724 N 0.23 0.42 -0.35 1.67 3.38 -0.70 -2.59 115.31 117.38 1rr9 h LEU 724 Ca 0.04 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1rr9 h LEU 724 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rr9 h LEU 724 CO 0.04 0.68 -0.51 0.00 0.09 0.00 0.00 178.44 178.74 1rr9 h ALA 725 N 1.35 0.52 -0.55 1.53 0.00 -0.62 -2.57 119.26 118.92 1rr9 h ALA 725 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1rr9 h ALA 725 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1rr9 h ALA 725 CO 0.05 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.15 1rr9 h ALA 726 N 0.74 1.28 0.08 0.00 0.00 -1.14 -1.55 119.26 118.66 1rr9 h ALA 726 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rr9 h ALA 726 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1rr9 h ALA 726 CO 0.11 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.10 1rr9 h HIS 727 N 0.80 -0.10 -0.69 0.00 6.17 -1.39 0.17 115.15 120.12 1rr9 h HIS 727 Ca 0.18 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.33 1rr9 h HIS 727 Cb 0.23 0.03 -0.06 0.00 2.52 0.00 0.00 27.41 30.13 1rr9 h HIS 727 CO 0.01 0.19 0.37 0.00 0.71 0.00 0.00 177.93 179.22 1rr9 h ARG 728 N -0.39 0.64 0.00 5.26 3.08 -1.29 0.20 114.38 121.88 1rr9 h ARG 728 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1rr9 h ARG 728 Cb 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1rr9 h ARG 728 CO 0.02 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 1rr9 n GLY 729 N -1.29 -0.63 2.40 0.04 0.00 -0.60 -4.87 105.19 100.24 1rr9 n GLY 729 Ca 0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.23 -0.13 3.72 -0.02 0.00 0.69 -4.99 105.19 104.68 1rr9 n GLY 730 Ca 0.12 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.80 4.85 -0.10 -0.61 -1.09 0.56 -4.98 121.20 117.03 1rr9 s ILE 731 Ca 0.10 1.93 -0.15 0.00 -2.23 0.00 0.00 60.65 60.29 1rr9 s ILE 731 Cb -0.04 -4.26 -0.27 0.00 -1.58 0.00 0.00 42.46 36.31 1rr9 s ILE 731 CO 0.12 0.21 0.55 0.50 -1.23 0.00 0.00 174.94 175.09 1rr9 h LYS 732 N 6.58 0.26 -6.00 2.79 3.64 -1.86 -3.42 116.57 118.57 1rr9 h LYS 732 Ca -0.41 -0.44 -0.68 0.00 -1.27 0.00 0.00 60.65 57.84 1rr9 h LYS 732 Cb 1.21 0.17 -0.23 0.00 -0.41 0.00 0.00 32.23 32.97 1rr9 h LYS 732 CO 0.74 1.21 -0.75 0.99 -2.27 0.00 0.00 179.45 179.38 1rr9 s THR 733 N -2.49 3.26 -0.06 1.00 2.01 -0.16 -1.91 115.64 117.29 1rr9 s THR 733 Ca -0.20 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1rr9 s THR 733 Cb 0.05 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1rr9 s THR 733 CO 0.77 0.57 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.51 1rr9 s VAL 734 N -0.44 0.83 -0.21 3.82 1.01 -0.62 -1.14 120.40 123.66 1rr9 s VAL 734 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1rr9 s VAL 734 Cb -0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1rr9 s VAL 734 CO 0.02 0.29 0.12 -0.76 0.00 0.00 0.00 175.10 174.77 1rr9 s LEU 735 N 0.90 4.07 0.15 3.92 1.43 0.19 -0.96 118.68 128.37 1rr9 s LEU 735 Ca -0.11 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1rr9 s LEU 735 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1rr9 s LEU 735 CO 0.01 0.15 -0.10 0.27 0.23 0.00 0.00 176.35 176.91 1rr9 s ILE 736 N 0.54 1.16 0.59 -0.59 -4.36 -0.99 -1.05 121.20 116.51 1rr9 s ILE 736 Ca 0.07 -2.06 -0.20 0.00 -0.26 0.00 0.00 60.65 58.20 1rr9 s ILE 736 Cb -0.12 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 1rr9 s ILE 736 CO 0.00 -0.73 1.27 -2.84 0.24 0.00 0.00 174.94 172.88 1rr9 s PRO 737 N -3.75 2.92 0.32 0.37 0.02 -1.24 -0.64 135.00 133.00 1rr9 s PRO 737 Ca 0.17 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.20 1rr9 s PRO 737 Cb 0.03 -2.01 0.52 0.00 0.02 0.00 0.00 34.50 33.05 1rr9 s PRO 737 CO 0.01 -1.29 1.97 0.35 -0.33 0.00 0.00 177.00 177.70 1rr9 h PHE 738 N 0.99 0.91 0.00 6.54 3.57 -1.32 -1.66 116.94 125.97 1rr9 h PHE 738 Ca -0.51 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1rr9 h PHE 738 Cb 1.31 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1rr9 h PHE 738 CO 0.45 0.60 0.00 -1.91 -2.23 0.00 0.00 178.31 175.22 1rr9 n GLU 739 N -4.41 0.40 0.00 1.11 4.07 -1.26 -2.84 120.64 117.71 1rr9 n GLU 739 Ca 0.07 0.06 0.12 0.00 -0.06 0.00 0.00 57.16 57.36 1rr9 n GLU 739 Cb 0.06 -1.50 0.22 0.00 -0.06 0.00 0.00 31.44 30.16 1rr9 n GLU 739 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1rr9 n ASN 740 N -1.14 1.48 -0.17 4.31 5.03 -0.62 -4.56 115.26 119.59 1rr9 n ASN 740 Ca 0.11 -1.18 -0.02 0.00 0.87 0.00 0.00 54.58 54.36 1rr9 n ASN 740 Cb 0.10 0.27 0.07 0.00 -1.02 0.00 0.00 39.78 39.20 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 1.79 0.12 -0.96 3.52 1.57 -1.66 -1.45 116.57 119.50 1rr9 h LYS 741 Ca 0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1rr9 h LYS 741 Cb 0.62 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1rr9 h LYS 741 CO 0.00 0.08 0.61 0.00 -0.57 0.00 0.00 179.45 179.57 1rr9 h ARG 742 N 0.13 0.90 -0.57 3.15 -0.00 -1.87 -0.69 114.38 115.43 1rr9 h ARG 742 Ca 0.27 -0.05 0.16 0.00 -0.50 0.00 0.00 59.98 59.86 1rr9 h ARG 742 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 1rr9 h ARG 742 CO -0.43 0.60 0.46 -0.44 0.00 0.00 0.00 179.97 180.15 1rr9 h ASP 743 N 0.93 0.00 -0.07 7.04 3.45 -1.57 -0.15 116.42 126.04 1rr9 h ASP 743 Ca 0.47 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.95 1rr9 h ASP 743 Cb 0.49 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1rr9 h ASP 743 CO -0.23 0.00 0.07 -0.07 -1.57 0.00 0.00 179.24 177.44 1rr9 h LEU 744 N 0.00 0.00 -0.12 1.55 3.38 -1.15 -2.03 115.31 116.94 1rr9 h LEU 744 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1rr9 h LEU 744 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rr9 h LEU 744 CO -0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1rr9 n GLU 745 N -4.05 0.03 -0.07 1.13 -0.58 -0.07 -2.48 120.64 114.54 1rr9 n GLU 745 Ca -0.01 0.33 -0.08 0.00 -0.42 0.00 0.00 57.16 56.98 1rr9 n GLU 745 Cb 0.17 -1.55 -0.15 0.00 -0.57 0.00 0.00 31.44 29.33 1rr9 n GLU 745 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rr9 n GLU 746 N -1.60 0.67 -2.42 3.49 -0.58 -0.76 -4.91 120.64 114.52 1rr9 n GLU 746 Ca 0.03 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.41 1rr9 n GLU 746 Cb 0.14 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 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 -2.61 3.36 0.34 -3.67 1.01 -1.04 -4.96 121.20 113.63 1rr9 s ILE 747 Ca -0.08 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 1rr9 s ILE 747 Cb 0.07 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 1rr9 s ILE 747 CO 0.83 0.33 1.46 -0.81 0.00 0.00 0.00 174.94 176.75 1rr9 n PRO 748 N 1.14 2.49 0.27 2.79 -0.04 -1.26 -4.89 135.00 135.50 1rr9 n PRO 748 Ca -0.01 0.88 0.10 0.00 -0.04 0.00 0.00 63.50 64.42 1rr9 n PRO 748 Cb 0.44 -2.57 0.70 0.00 -0.04 0.00 0.00 33.50 32.03 1rr9 n PRO 748 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1rr9 h ASP 749 N 3.39 0.00 -0.06 3.54 3.32 -1.93 -2.57 116.42 122.12 1rr9 h ASP 749 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1rr9 h ASP 749 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1rr9 h ASP 749 CO 0.68 0.03 -0.20 -0.55 -1.72 0.00 0.00 179.24 177.48 1rr9 h ASN 750 N 0.00 0.45 -0.02 6.45 -1.07 -1.99 0.22 115.58 119.62 1rr9 h ASN 750 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 56.30 56.18 1rr9 h ASN 750 Cb 0.05 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 1rr9 h ASN 750 CO 0.00 0.67 -0.19 0.58 0.07 0.00 0.00 177.43 178.56 1rr9 h VAL 751 N 0.41 1.50 -0.42 6.14 2.07 -1.85 -3.20 116.25 120.90 1rr9 h VAL 751 Ca 0.07 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 65.73 1rr9 h VAL 751 Cb 0.59 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1rr9 h VAL 751 CO 0.04 0.48 -0.17 0.40 0.02 0.00 0.00 177.57 178.34 1rr9 h ILE 752 N -0.44 1.27 0.00 4.57 1.08 -1.41 -2.77 117.51 119.81 1rr9 h ILE 752 Ca -0.02 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1rr9 h ILE 752 Cb 0.88 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1rr9 h ILE 752 CO 0.04 0.43 -0.02 0.00 -0.69 0.00 0.00 178.15 177.91 1rr9 h ALA 753 N 1.10 1.82 -0.00 1.87 0.00 -0.65 -0.84 119.26 122.55 1rr9 h ALA 753 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rr9 h ALA 753 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rr9 h ALA 753 CO 0.05 0.03 -0.18 -0.25 0.00 0.00 0.00 179.25 178.90 1rr9 n ASP 754 N -4.30 0.22 -4.54 0.00 8.00 -1.05 -4.86 116.55 110.03 1rr9 n ASP 754 Ca -0.03 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 1rr9 n ASP 754 Cb 0.11 -0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.92 3.28 -0.78 0.64 1.43 -0.32 -4.95 118.68 115.05 1rr9 s LEU 755 Ca 0.15 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1rr9 s LEU 755 Cb 0.19 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1rr9 s LEU 755 CO 0.58 0.24 1.08 -0.62 0.23 0.00 0.00 176.35 177.85 1rr9 s ASP 756 N -0.03 6.34 -0.14 2.29 2.15 -0.80 -4.96 116.67 121.52 1rr9 s ASP 756 Ca 0.01 -1.32 -0.12 0.00 0.43 0.00 0.00 52.55 51.55 1rr9 s ASP 756 Cb -0.13 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1rr9 s ASP 756 CO 0.03 -1.36 0.26 -0.63 -0.17 0.00 0.00 175.17 173.30 1rr9 s ILE 757 N 3.83 5.32 -0.27 4.11 1.01 -1.26 -1.58 121.20 132.36 1rr9 s ILE 757 Ca 0.28 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.43 1rr9 s ILE 757 Cb -0.11 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.85 1rr9 s ILE 757 CO 0.02 0.46 -0.06 -1.00 0.00 0.00 0.00 174.94 174.36 1rr9 s HIS 758 N -0.01 3.08 0.15 3.97 3.76 -0.14 -4.97 115.29 121.13 1rr9 s HIS 758 Ca 0.16 -2.28 -0.30 0.00 -0.15 0.00 0.00 55.06 52.49 1rr9 s HIS 758 Cb -0.13 -2.00 -0.07 0.00 1.11 0.00 0.00 32.58 31.49 1rr9 s HIS 758 CO 0.04 -0.86 1.04 -2.14 -0.85 0.00 0.00 174.74 171.97 1rr9 s PRO 759 N 1.16 4.64 0.06 8.40 0.02 -1.26 -2.34 135.00 145.68 1rr9 s PRO 759 Ca -0.04 1.61 0.07 0.00 0.02 0.00 0.00 61.00 62.66 1rr9 s PRO 759 Cb -0.19 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 1rr9 s PRO 759 CO -0.06 0.14 -0.20 0.14 -0.33 0.00 0.00 177.00 176.68 1rr9 s VAL 760 N -0.16 1.66 -0.16 3.83 -7.23 0.19 -4.74 120.40 113.78 1rr9 s VAL 760 Ca 0.48 -1.28 0.15 0.00 -1.81 0.00 0.00 61.98 59.52 1rr9 s VAL 760 Cb -0.27 -1.46 -0.21 0.00 0.56 0.00 0.00 36.38 35.00 1rr9 s VAL 760 CO 0.33 0.13 0.07 0.29 -0.31 0.00 0.00 175.10 175.60 1rr9 n LYS 761 N 1.65 1.27 -4.27 4.82 5.02 -1.26 -0.95 118.16 124.44 1rr9 n LYS 761 Ca -0.18 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 1rr9 n LYS 761 Cb 0.53 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.43 1.16 0.41 1.97 0.52 -1.26 -1.66 118.95 117.67 1rr9 s ARG 762 Ca -0.08 -1.54 0.15 0.00 -0.52 0.00 0.00 55.73 53.73 1rr9 s ARG 762 Cb 0.05 -0.52 0.89 0.00 0.52 0.00 0.00 34.95 35.89 1rr9 s ARG 762 CO 0.68 -0.04 1.91 0.97 0.02 0.00 0.00 175.30 178.84 1rr9 h ILE 763 N 2.66 1.14 -0.44 1.52 6.09 -1.66 -2.94 117.51 123.88 1rr9 h ILE 763 Ca -0.37 -0.97 0.01 0.00 -1.37 0.00 0.00 64.86 62.17 1rr9 h ILE 763 Cb 1.20 1.53 -0.03 0.00 0.47 0.00 0.00 36.82 40.00 1rr9 h ILE 763 CO 0.64 0.27 0.27 -0.33 -3.07 0.00 0.00 178.15 175.93 1rr9 h GLU 764 N 0.00 0.53 -0.25 2.19 3.07 -1.97 -1.60 114.58 116.55 1rr9 h GLU 764 Ca -0.00 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1rr9 h GLU 764 Cb 0.51 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 1rr9 h GLU 764 CO 0.04 0.35 -0.10 0.93 -1.40 0.00 0.00 179.01 178.82 1rr9 h GLU 765 N 0.55 -0.06 -0.83 2.33 5.08 -1.95 0.49 114.58 120.19 1rr9 h GLU 765 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1rr9 h GLU 765 Cb -0.01 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1rr9 h GLU 765 CO -0.07 -0.04 0.44 -0.39 -1.00 0.00 0.00 179.01 177.96 1rr9 h VAL 766 N -0.06 1.24 -0.20 3.13 -1.51 -1.51 0.27 116.25 117.61 1rr9 h VAL 766 Ca 0.13 -0.62 -0.09 0.00 -1.23 0.00 0.00 66.70 64.89 1rr9 h VAL 766 Cb 0.26 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1rr9 h VAL 766 CO -0.29 0.28 -0.27 -0.07 -1.23 0.00 0.00 177.57 175.99 1rr9 h LEU 767 N 1.16 0.39 -0.15 4.19 3.38 -0.70 0.51 115.31 124.08 1rr9 h LEU 767 Ca 0.29 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1rr9 h LEU 767 Cb 0.04 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1rr9 h LEU 767 CO -0.04 0.65 -0.63 0.74 0.09 0.00 0.00 178.44 179.25 1rr9 h THR 768 N 0.34 1.31 0.00 0.22 2.02 0.02 -2.01 112.91 114.81 1rr9 h THR 768 Ca 0.05 -1.87 -0.14 0.00 0.77 0.00 0.00 66.41 65.22 1rr9 h THR 768 Cb 0.65 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1rr9 h THR 768 CO 0.05 0.58 -0.72 -0.07 0.37 0.00 0.00 175.52 175.73 1rr9 h LEU 769 N 0.39 0.00 0.02 2.58 3.38 -0.29 -3.38 115.31 118.01 1rr9 h LEU 769 Ca -0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.58 1rr9 h LEU 769 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1rr9 h LEU 769 CO 0.13 0.64 -2.16 0.00 0.09 0.00 0.00 178.44 177.14 1rr9 n ALA 770 N -2.28 1.41 -2.63 1.53 0.00 0.18 -4.91 120.51 113.82 1rr9 n ALA 770 Ca 0.00 -1.04 -0.43 0.00 0.00 0.00 0.00 53.44 51.98 1rr9 n ALA 770 Cb 0.80 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 -6.04 4.20 0.10 0.00 1.43 -0.76 -2.17 118.68 115.44 1rr9 s LEU 771 Ca -0.14 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.27 1rr9 s LEU 771 Cb 0.07 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1rr9 s LEU 771 CO 0.78 -0.56 1.38 -0.61 0.23 0.00 0.00 176.35 177.56 1rr9 h GLN 772 N 7.35 -0.19 -5.92 1.70 4.15 -1.46 -3.38 115.11 117.35 1rr9 h GLN 772 Ca -0.27 0.01 -0.57 0.00 0.77 0.00 0.00 58.65 58.59 1rr9 h GLN 772 Cb 1.12 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.79 1rr9 h GLN 772 CO 0.91 -0.13 -0.05 -0.80 -1.93 0.00 0.00 178.83 176.83 1rr9 s ASN 773 N -4.44 6.85 0.14 -0.69 0.01 -1.26 -5.01 114.94 110.54 1rr9 s ASN 773 Ca -0.09 1.01 -0.33 0.00 -0.71 0.00 0.00 52.86 52.74 1rr9 s ASN 773 Cb 0.06 -2.34 -0.12 0.00 0.41 0.00 0.00 41.25 39.26 1rr9 s ASN 773 CO 0.42 0.02 1.73 -1.84 -1.51 0.00 0.00 177.10 175.92 1rr9 n GLU 774 N 3.30 2.53 0.00 -0.60 0.28 -1.26 -4.95 120.64 119.93 1rr9 n GLU 774 Ca -0.06 0.91 0.16 0.00 -0.16 0.00 0.00 57.16 58.01 1rr9 n GLU 774 Cb 0.51 -2.75 0.91 0.00 1.43 0.00 0.00 31.44 31.54 1rr9 n GLU 774 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62