#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr9 n ARG 594 N 0.00 3.67 -3.60 1.20 5.12 -1.26 -4.83 116.66 116.96 1rr9 n ARG 594 Ca 0.00 -2.57 -0.03 0.00 -1.93 0.00 0.00 57.85 53.31 1rr9 n ARG 594 Cb 0.00 -2.54 -0.06 0.00 -1.16 0.00 0.00 32.46 28.70 1rr9 n ARG 594 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1rr9 s VAL 595 N 0.08 -0.87 0.69 1.55 0.11 -1.26 -1.33 120.40 119.37 1rr9 s VAL 595 Ca 0.62 0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.64 1rr9 s VAL 595 Cb 0.23 -0.88 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1rr9 s VAL 595 CO -0.09 0.02 1.03 -0.83 -3.33 0.00 0.00 175.10 171.90 1rr9 s GLY 596 N 2.79 1.64 -0.27 6.54 0.00 0.14 -4.83 107.32 113.32 1rr9 s GLY 596 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.83 1rr9 s GLY 596 CO -0.17 -0.32 0.67 -0.86 0.00 0.00 0.00 173.10 172.42 1rr9 s GLN 597 N -5.25 0.71 -0.04 2.90 -2.07 -1.26 -1.66 119.66 112.99 1rr9 s GLN 597 Ca 0.58 1.14 -0.05 0.00 -1.82 0.00 0.00 55.36 55.22 1rr9 s GLN 597 Cb -0.11 0.18 0.01 0.00 -1.09 0.00 0.00 33.01 32.01 1rr9 s GLN 597 CO 0.47 -0.14 0.13 0.54 -1.32 0.00 0.00 175.29 174.97 1rr9 s VAL 598 N 1.35 0.01 -0.16 3.63 0.11 -0.46 -4.66 120.40 120.22 1rr9 s VAL 598 Ca -0.08 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 1rr9 s VAL 598 Cb -0.05 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1rr9 s VAL 598 CO -0.15 -0.05 1.04 -0.89 -3.33 0.00 0.00 175.10 171.72 1rr9 s THR 599 N -0.13 4.69 0.32 5.04 2.01 -1.26 -0.45 115.64 125.86 1rr9 s THR 599 Ca -0.02 2.00 0.10 0.00 0.31 0.00 0.00 61.69 64.08 1rr9 s THR 599 Cb -0.02 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1rr9 s THR 599 CO 0.00 -0.09 -0.13 -0.83 -0.69 0.00 0.00 174.62 172.89 1rr9 s GLY 600 N 1.20 2.06 -0.27 4.40 0.00 0.19 -1.86 107.32 113.03 1rr9 s GLY 600 Ca 0.47 -2.00 0.03 0.00 0.00 0.00 0.00 44.72 43.22 1rr9 s GLY 600 CO 0.12 -2.00 -0.08 1.08 0.00 0.00 0.00 173.10 172.23 1rr9 s LEU 601 N -3.56 3.66 0.16 0.66 1.43 -0.61 -0.38 118.68 120.05 1rr9 s LEU 601 Ca 0.31 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 1rr9 s LEU 601 Cb -0.00 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1rr9 s LEU 601 CO 0.15 -0.22 0.09 0.00 0.23 0.00 0.00 176.35 176.61 1rr9 s ALA 602 N 1.08 0.99 0.09 4.21 0.00 -0.88 -4.53 121.76 122.71 1rr9 s ALA 602 Ca -0.06 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.03 1rr9 s ALA 602 Cb -0.20 1.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.96 1rr9 s ALA 602 CO -0.05 -0.54 1.22 -0.46 0.00 0.00 0.00 175.76 175.93 1rr9 s TRP 603 N -4.10 3.42 0.11 0.00 -0.00 -1.24 -1.48 118.94 115.66 1rr9 s TRP 603 Ca 0.31 1.29 0.07 0.00 -0.00 0.00 0.00 56.10 57.76 1rr9 s TRP 603 Cb 0.07 -3.45 -0.04 0.00 -0.00 0.00 0.00 33.47 30.06 1rr9 s TRP 603 CO 0.06 -1.37 -0.17 0.95 -0.00 0.00 0.00 176.95 176.42 1rr9 s THR 604 N 0.85 1.51 0.17 5.86 -4.23 -1.25 -1.67 115.64 116.88 1rr9 s THR 604 Ca 0.58 -1.63 0.24 0.00 -1.18 0.00 0.00 61.69 59.71 1rr9 s THR 604 Cb -0.31 -1.52 0.24 0.00 1.34 0.00 0.00 72.50 72.26 1rr9 s THR 604 CO 0.31 -0.25 1.71 -0.08 -0.54 0.00 0.00 174.62 175.77 1rr9 h GLU 605 N 3.79 0.00 -1.96 3.99 4.81 0.79 0.13 114.58 126.13 1rr9 h GLU 605 Ca -0.43 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.11 1rr9 h GLU 605 Cb 1.19 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.24 1rr9 h GLU 605 CO 0.45 0.00 0.30 1.33 -0.73 0.00 0.00 179.01 180.36 1rr9 n VAL 606 N -2.45 3.67 -1.23 0.32 0.24 -1.26 -4.99 118.33 112.64 1rr9 n VAL 606 Ca -0.02 -5.01 0.00 0.00 -2.04 0.00 0.00 64.34 57.28 1rr9 n VAL 606 Cb 0.20 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1rr9 n VAL 606 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rr9 n GLY 607 N -0.39 -4.48 3.55 7.63 0.00 0.44 -4.73 105.19 107.22 1rr9 n GLY 607 Ca 0.45 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1rr9 n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rr9 s GLY 608 N -1.01 -0.49 0.00 -0.02 0.00 -1.22 -3.85 107.32 100.74 1rr9 s GLY 608 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1rr9 s GLY 608 CO 0.00 4.14 0.00 2.09 0.00 0.00 0.00 173.10 179.33 1rr9 n ASP 609 N 16.26 0.33 -4.67 1.64 5.68 -0.55 -3.95 116.55 131.30 1rr9 n ASP 609 Ca 0.38 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.24 1rr9 n ASP 609 Cb 0.53 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 1rr9 n ASP 609 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1rr9 s LEU 610 N 0.00 4.20 0.09 -2.12 0.20 -1.26 -2.08 118.68 117.71 1rr9 s LEU 610 Ca 0.00 1.72 0.07 0.00 0.69 0.00 0.00 54.13 56.60 1rr9 s LEU 610 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1rr9 s LEU 610 CO 0.00 -0.72 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.41 1rr9 s LEU 611 N 3.18 2.29 -0.44 -0.68 1.43 0.49 -4.98 118.68 119.96 1rr9 s LEU 611 Ca 0.55 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1rr9 s LEU 611 Cb -0.22 -0.71 0.06 0.00 0.03 0.00 0.00 46.19 45.34 1rr9 s LEU 611 CO 0.16 -0.00 0.34 -0.89 0.23 0.00 0.00 176.35 176.19 1rr9 s THR 612 N -1.21 5.07 -0.05 5.49 2.01 -1.26 0.53 115.64 126.22 1rr9 s THR 612 Ca 0.02 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 1rr9 s THR 612 Cb -0.10 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1rr9 s THR 612 CO 0.03 -0.47 0.96 -0.63 -0.69 0.00 0.00 174.62 173.82 1rr9 s ILE 613 N 1.62 4.85 0.04 1.82 1.09 0.41 -3.73 121.20 127.31 1rr9 s ILE 613 Ca 0.04 1.99 0.08 0.00 -1.10 0.00 0.00 60.65 61.65 1rr9 s ILE 613 Cb -0.22 -4.29 -0.03 0.00 -1.06 0.00 0.00 42.46 36.86 1rr9 s ILE 613 CO 0.07 0.11 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.20 1rr9 s GLU 614 N 1.40 1.98 -0.11 2.79 2.02 -0.33 -1.35 118.70 125.10 1rr9 s GLU 614 Ca 0.49 -1.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1rr9 s GLU 614 Cb -0.20 -2.12 0.06 0.00 0.10 0.00 0.00 34.13 31.97 1rr9 s GLU 614 CO 0.23 0.53 0.24 0.95 0.02 0.00 0.00 175.26 177.23 1rr9 s THR 615 N -0.89 -0.29 0.04 3.63 -4.23 -0.66 -1.52 115.64 111.72 1rr9 s THR 615 Ca 0.14 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1rr9 s THR 615 Cb -0.10 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1rr9 s THR 615 CO 0.04 0.11 0.07 0.00 -0.54 0.00 0.00 174.62 174.30 1rr9 s ALA 616 N 2.09 3.54 -0.37 3.99 0.00 -0.03 0.27 121.76 131.25 1rr9 s ALA 616 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1rr9 s ALA 616 Cb -0.12 -1.48 0.15 0.00 0.00 0.00 0.00 23.12 21.67 1rr9 s ALA 616 CO -0.08 0.72 0.25 0.00 0.00 0.00 0.00 175.76 176.65 1rr9 s VAL 618 N 0.75 2.35 -0.16 0.00 -7.23 -0.53 -4.86 120.40 110.72 1rr9 s VAL 618 Ca 0.22 -1.55 -0.33 0.00 -1.81 0.00 0.00 61.98 58.51 1rr9 s VAL 618 Cb -0.15 -2.90 -0.10 0.00 0.56 0.00 0.00 36.38 33.78 1rr9 s VAL 618 CO -0.05 0.00 2.00 -2.65 -0.31 0.00 0.00 175.10 174.09 1rr9 n PRO 619 N -1.41 1.95 0.00 4.82 -0.02 -1.26 0.07 135.00 139.15 1rr9 n PRO 619 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1rr9 n PRO 619 Cb 0.64 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1rr9 n PRO 619 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rr9 n GLY 620 N 5.05 4.44 2.72 -1.23 0.00 -0.82 -4.57 105.19 110.78 1rr9 n GLY 620 Ca 0.27 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1rr9 n GLY 620 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rr9 n LYS 621 N 0.00 1.40 -2.58 1.61 3.00 -1.26 -3.74 118.16 116.59 1rr9 n LYS 621 Ca 0.00 -2.09 -0.05 0.00 -0.00 0.00 0.00 58.31 56.18 1rr9 n LYS 621 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 35.03 34.73 1rr9 n LYS 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rr9 n GLY 622 N -1.00 0.51 3.52 3.14 0.00 -0.60 -4.82 105.19 105.94 1rr9 n GLY 622 Ca -0.06 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.92 3.72 -0.23 1.61 3.01 -1.24 -4.99 119.74 116.71 1rr9 s LYS 623 Ca 0.08 -0.49 -0.09 0.00 -1.01 0.00 0.00 55.97 54.46 1rr9 s LYS 623 Cb -0.03 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.78 1rr9 s LYS 623 CO 0.15 0.25 0.12 -1.17 0.51 0.00 0.00 175.35 175.22 1rr9 s LEU 624 N 0.36 3.93 0.00 3.17 2.96 -1.26 0.28 118.68 128.13 1rr9 s LEU 624 Ca -0.03 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1rr9 s LEU 624 Cb -0.14 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1rr9 s LEU 624 CO 0.03 0.07 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.07 1rr9 s THR 625 N 0.99 1.32 -0.12 3.68 2.01 0.12 -4.98 115.64 118.66 1rr9 s THR 625 Ca 0.06 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 1rr9 s THR 625 Cb -0.14 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.31 1rr9 s THR 625 CO 0.04 0.29 0.27 -0.72 -0.69 0.00 0.00 174.62 173.80 1rr9 s TYR 626 N -0.52 -0.37 0.21 4.92 -0.85 -1.25 0.72 117.35 120.20 1rr9 s TYR 626 Ca 0.06 0.87 0.01 0.00 -0.52 0.00 0.00 57.07 57.49 1rr9 s TYR 626 Cb -0.07 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 1rr9 s TYR 626 CO 0.00 -0.26 0.05 0.95 -1.52 0.00 0.00 175.55 174.77 1rr9 s THR 627 N 1.35 0.56 0.00 -3.49 -4.23 -0.12 -4.97 115.64 104.73 1rr9 s THR 627 Ca -0.09 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1rr9 s THR 627 Cb -0.10 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1rr9 s THR 627 CO -0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1rr9 n GLY 628 N -0.32 0.83 3.28 3.99 0.00 -1.26 -1.98 105.19 109.72 1rr9 n GLY 628 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.95 -4.71 1.61 7.64 -1.23 -4.52 113.62 108.46 1rr9 n SER 629 Ca 0.00 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.94 1rr9 n SER 629 Cb 0.00 -4.62 -0.03 0.00 -1.01 0.00 0.00 64.21 58.55 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 -6.28 4.37 0.85 -3.43 1.43 -1.26 -1.64 118.68 112.72 1rr9 s LEU 630 Ca 0.26 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 1rr9 s LEU 630 Cb -0.11 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1rr9 s LEU 630 CO 0.66 -0.32 1.13 -0.83 0.23 0.00 0.00 176.35 177.22 1rr9 s GLY 631 N 1.02 1.59 0.20 -3.19 0.00 0.95 -4.79 107.32 103.12 1rr9 s GLY 631 Ca 0.54 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1rr9 s GLY 631 CO 0.28 0.06 1.87 0.83 0.00 0.00 0.00 173.10 176.15 1rr9 h GLU 632 N -1.28 0.95 -0.50 2.90 4.39 -1.97 0.10 114.58 119.16 1rr9 h GLU 632 Ca -0.49 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 1rr9 h GLU 632 Cb 1.31 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1rr9 h GLU 632 CO 0.62 0.63 0.23 0.28 -1.16 0.00 0.00 179.01 179.61 1rr9 h VAL 633 N 0.97 1.20 -0.58 3.13 2.07 -1.93 -0.42 116.25 120.70 1rr9 h VAL 633 Ca 0.26 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1rr9 h VAL 633 Cb -0.11 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1rr9 h VAL 633 CO -0.06 0.22 0.08 -0.03 0.02 0.00 0.00 177.57 177.81 1rr9 h MET 634 N 0.67 0.96 -0.47 1.57 1.85 -1.43 -1.09 114.93 117.00 1rr9 h MET 634 Ca 0.17 -0.27 0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1rr9 h MET 634 Cb 0.14 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 32.02 1rr9 h MET 634 CO -0.02 0.93 0.21 1.96 -0.40 0.00 0.00 176.91 179.59 1rr9 h GLN 635 N 0.86 0.41 -0.40 0.39 4.20 -0.59 -2.01 115.11 117.98 1rr9 h GLN 635 Ca 0.17 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1rr9 h GLN 635 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1rr9 h GLN 635 CO 0.01 0.27 0.02 0.93 -0.67 0.00 0.00 178.83 179.39 1rr9 h GLU 636 N 0.42 0.63 0.00 1.46 5.08 -0.80 -1.91 114.58 119.47 1rr9 h GLU 636 Ca 0.21 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1rr9 h GLU 636 Cb 0.16 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1rr9 h GLU 636 CO -0.17 0.64 -0.06 0.66 -1.00 0.00 0.00 179.01 179.08 1rr9 h SER 637 N 0.60 0.00 0.50 1.42 4.64 -0.48 -0.24 113.55 119.98 1rr9 h SER 637 Ca 0.13 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 1rr9 h SER 637 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1rr9 h SER 637 CO 0.01 0.06 -0.84 0.40 -0.87 0.00 0.00 176.83 175.58 1rr9 h ILE 638 N 0.00 1.46 -0.20 0.95 2.04 -0.91 -1.25 117.51 119.60 1rr9 h ILE 638 Ca -0.00 -2.48 -0.21 0.00 1.00 0.00 0.00 64.86 63.17 1rr9 h ILE 638 Cb 0.32 2.38 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1rr9 h ILE 638 CO 0.01 0.73 -0.70 1.56 0.00 0.00 0.00 178.15 179.74 1rr9 h GLN 639 N 0.15 0.83 -0.33 2.37 4.20 -0.96 -2.59 115.11 118.77 1rr9 h GLN 639 Ca -0.04 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.00 1rr9 h GLN 639 Cb 1.45 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1rr9 h GLN 639 CO 0.13 1.24 0.04 0.00 -0.67 0.00 0.00 178.83 179.57 1rr9 h ALA 640 N 0.60 0.44 -0.35 3.87 0.00 -1.10 -2.58 119.26 120.14 1rr9 h ALA 640 Ca -0.03 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1rr9 h ALA 640 Cb 1.33 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1rr9 h ALA 640 CO 0.15 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1rr9 h ALA 641 N 0.88 0.32 -0.80 0.00 0.00 -1.22 -1.97 119.26 116.47 1rr9 h ALA 641 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1rr9 h ALA 641 Cb 0.37 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1rr9 h ALA 641 CO 0.01 -0.40 0.38 1.25 0.00 0.00 0.00 179.25 180.49 1rr9 h LEU 642 N 0.10 1.06 -0.80 0.00 5.85 -1.41 -2.76 115.31 117.36 1rr9 h LEU 642 Ca 0.17 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1rr9 h LEU 642 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1rr9 h LEU 642 CO -0.28 0.90 0.22 0.74 -0.34 0.00 0.00 178.44 179.68 1rr9 h THR 643 N 1.14 1.26 -0.72 1.05 2.02 -1.17 -0.73 112.91 115.76 1rr9 h THR 643 Ca 0.27 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.61 1rr9 h THR 643 Cb 0.13 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1rr9 h THR 643 CO -0.03 0.35 0.43 0.58 0.37 0.00 0.00 175.52 177.22 1rr9 h VAL 644 N 1.07 1.02 -0.35 3.16 2.07 -1.08 0.30 116.25 122.43 1rr9 h VAL 644 Ca 0.23 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1rr9 h VAL 644 Cb 0.31 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1rr9 h VAL 644 CO -0.01 0.15 -0.24 0.58 0.02 0.00 0.00 177.57 178.07 1rr9 h VAL 645 N 0.80 1.29 0.00 2.57 2.07 -1.24 -2.94 116.25 118.79 1rr9 h VAL 645 Ca 0.31 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1rr9 h VAL 645 Cb 0.14 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1rr9 h VAL 645 CO -0.16 0.45 -0.24 0.03 0.02 0.00 0.00 177.57 177.68 1rr9 h ARG 646 N 0.55 0.00 0.00 1.57 3.08 -0.63 0.12 114.38 119.08 1rr9 h ARG 646 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rr9 h ARG 646 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1rr9 h ARG 646 CO 0.06 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 1rr9 n ALA 647 N -2.46 2.25 -1.47 0.04 0.00 0.05 -3.51 120.51 115.40 1rr9 n ALA 647 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1rr9 n ALA 647 Cb 0.30 -1.46 0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.22 0.87 -0.05 0.00 1.74 -0.79 -4.87 116.66 111.34 1rr9 n ARG 648 Ca 0.05 -2.17 -0.11 0.00 -0.77 0.00 0.00 57.85 54.85 1rr9 n ARG 648 Cb 0.41 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.16 -0.75 -0.55 7.54 0.00 -0.82 0.41 119.26 125.25 1rr9 h ALA 649 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rr9 h ALA 649 Cb 1.17 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1rr9 h ALA 649 CO 0.01 -0.92 0.29 1.49 0.00 0.00 0.00 179.25 180.11 1rr9 h GLU 650 N -0.40 0.77 -0.41 0.00 4.81 -1.81 0.61 114.58 118.15 1rr9 h GLU 650 Ca 0.04 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1rr9 h GLU 650 Cb 0.50 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1rr9 h GLU 650 CO -0.39 0.58 0.09 0.87 -0.73 0.00 0.00 179.01 179.43 1rr9 h LYS 651 N 0.77 0.60 -0.01 1.92 1.57 -1.50 -2.34 116.57 117.59 1rr9 h LYS 651 Ca 0.20 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1rr9 h LYS 651 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1rr9 h LYS 651 CO -0.03 0.56 -0.21 1.28 -0.57 0.00 0.00 179.45 180.49 1rr9 n LEU 652 N -4.32 1.26 -0.27 2.94 4.77 0.13 -4.93 117.00 116.59 1rr9 n LEU 652 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1rr9 n LEU 652 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1rr9 n LEU 652 CO 0.38 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1rr9 n GLY 653 N 1.31 0.96 3.24 -0.72 0.00 -0.67 -5.04 105.19 104.26 1rr9 n GLY 653 Ca 0.14 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.54 1.69 -0.25 -0.61 1.01 0.21 -4.95 121.20 115.75 1rr9 s ILE 654 Ca 0.00 -0.96 -0.37 0.00 0.00 0.00 0.00 60.65 59.32 1rr9 s ILE 654 Cb 0.00 -1.41 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 1rr9 s ILE 654 CO 0.00 0.43 1.93 -3.20 0.00 0.00 0.00 174.94 174.11 1rr9 n ASN 655 N 2.43 2.61 0.09 3.58 4.05 -1.26 -2.59 115.26 124.17 1rr9 n ASN 655 Ca -0.16 0.83 0.20 0.00 0.45 0.00 0.00 54.58 55.90 1rr9 n ASN 655 Cb 0.53 -1.24 0.75 0.00 1.23 0.00 0.00 39.78 41.04 1rr9 n ASN 655 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1rr9 h PRO 656 N 9.51 0.00 -0.32 1.20 0.11 -1.96 0.64 132.00 141.18 1rr9 h PRO 656 Ca -0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1rr9 h PRO 656 Cb 1.31 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1rr9 h PRO 656 CO 0.98 0.00 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.50 1rr9 n ASP 657 N -3.96 3.13 -0.21 -2.05 8.00 -1.26 -4.68 116.55 115.53 1rr9 n ASP 657 Ca 0.07 -3.41 0.12 0.00 0.71 0.00 0.00 54.79 52.28 1rr9 n ASP 657 Cb 0.54 -0.60 0.43 0.00 -0.02 0.00 0.00 41.12 41.47 1rr9 n ASP 657 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1rr9 h PHE 658 N 1.31 0.67 0.00 1.24 -5.15 -1.22 -1.58 116.94 112.21 1rr9 h PHE 658 Ca 0.13 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 1rr9 h PHE 658 Cb 1.58 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 37.54 1rr9 h PHE 658 CO 0.78 0.27 0.00 -0.92 -2.00 0.00 0.00 178.31 176.44 1rr9 h TYR 659 N 0.59 0.00 -0.48 6.09 3.20 -1.83 -3.02 116.97 121.52 1rr9 h TYR 659 Ca 0.39 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.30 1rr9 h TYR 659 Cb 0.68 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1rr9 h TYR 659 CO -0.00 0.00 0.25 0.93 -1.64 0.00 0.00 178.16 177.70 1rr9 h GLU 660 N 0.00 0.48 -0.50 1.82 5.08 -1.63 -2.23 114.58 117.59 1rr9 h GLU 660 Ca 0.00 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 1rr9 h GLU 660 Cb 0.23 -0.11 -0.33 0.00 0.50 0.00 0.00 28.75 29.04 1rr9 h GLU 660 CO 0.00 0.32 -0.80 0.36 -1.00 0.00 0.00 179.01 177.89 1rr9 n LYS 661 N -4.88 2.74 -4.17 2.33 -0.00 -1.17 -3.62 118.16 109.39 1rr9 n LYS 661 Ca 0.03 -3.78 -0.24 0.00 -0.00 0.00 0.00 58.31 54.33 1rr9 n LYS 661 Cb 0.11 -1.93 -0.17 0.00 -0.00 0.00 0.00 35.03 33.04 1rr9 n LYS 661 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1rr9 s ARG 662 N -3.37 1.24 0.05 -1.58 6.06 -1.15 -1.95 118.95 118.26 1rr9 s ARG 662 Ca 0.44 -0.21 -0.07 0.00 -2.50 0.00 0.00 55.73 53.40 1rr9 s ARG 662 Cb 0.39 -1.22 -0.05 0.00 0.06 0.00 0.00 34.95 34.12 1rr9 s ARG 662 CO -0.01 -0.13 0.32 -0.51 -2.50 0.00 0.00 175.30 172.47 1rr9 s ASP 663 N 1.19 6.52 -0.11 -2.12 1.01 0.11 -1.56 116.67 121.71 1rr9 s ASP 663 Ca -0.06 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.81 1rr9 s ASP 663 Cb -0.14 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.71 1rr9 s ASP 663 CO -0.02 0.19 -0.09 -0.63 0.21 0.00 0.00 175.17 174.83 1rr9 s ILE 664 N -1.40 1.12 -0.24 0.77 1.01 0.14 -1.46 121.20 121.14 1rr9 s ILE 664 Ca 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 1rr9 s ILE 664 Cb -0.13 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1rr9 s ILE 664 CO 0.19 0.38 -0.06 -2.28 0.00 0.00 0.00 174.94 173.17 1rr9 s HIS 665 N 1.52 3.04 -0.30 3.97 2.46 -0.66 0.15 115.29 125.48 1rr9 s HIS 665 Ca 0.02 -1.44 -0.08 0.00 0.47 0.00 0.00 55.06 54.03 1rr9 s HIS 665 Cb -0.13 -2.07 -0.01 0.00 -0.13 0.00 0.00 32.58 30.24 1rr9 s HIS 665 CO -0.07 -0.70 0.12 0.08 -2.47 0.00 0.00 174.74 171.70 1rr9 s VAL 666 N 1.36 4.39 0.02 0.89 1.01 0.22 -0.85 120.40 127.43 1rr9 s VAL 666 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1rr9 s VAL 666 Cb -0.16 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1rr9 s VAL 666 CO -0.04 0.12 -0.22 -2.28 0.00 0.00 0.00 175.10 172.68 1rr9 s HIS 667 N 1.58 1.91 -0.46 5.22 2.46 -0.57 -0.95 115.29 124.48 1rr9 s HIS 667 Ca 0.04 -0.37 0.03 0.00 0.47 0.00 0.00 55.06 55.24 1rr9 s HIS 667 Cb -0.17 -1.18 0.12 0.00 -0.13 0.00 0.00 32.58 31.23 1rr9 s HIS 667 CO 0.05 0.04 0.21 0.08 -2.47 0.00 0.00 174.74 172.64 1rr9 s VAL 668 N -0.66 2.18 0.22 0.89 1.01 -0.84 -1.18 120.40 122.03 1rr9 s VAL 668 Ca 0.08 -2.87 -0.10 0.00 0.00 0.00 0.00 61.98 59.09 1rr9 s VAL 668 Cb -0.09 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 1rr9 s VAL 668 CO 0.01 -0.77 0.02 -2.65 0.00 0.00 0.00 175.10 171.70 1rr9 n PRO 669 N 3.52 0.00 -1.89 2.72 -0.02 -1.24 -4.37 135.00 133.71 1rr9 n PRO 669 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 1rr9 n PRO 669 Cb 0.35 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 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 0.71 -0.45 0.05 -0.52 0.00 -1.26 -4.86 120.64 114.31 1rr9 n GLU 670 Ca 0.05 0.82 0.04 0.00 0.00 0.00 0.00 57.16 58.08 1rr9 n GLU 670 Cb 0.22 -2.62 0.20 0.00 0.00 0.00 0.00 31.44 29.24 1rr9 n GLU 670 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rr9 n GLY 671 N -0.93 -0.68 0.02 8.31 0.00 -1.26 -1.99 105.19 108.65 1rr9 n GLY 671 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1rr9 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr9 n ALA 672 N -1.58 3.65 -2.62 4.61 0.00 -1.26 -3.57 120.51 119.74 1rr9 n ALA 672 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1rr9 n ALA 672 Cb 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.07 4.37 0.02 0.00 2.01 -0.84 -4.97 115.64 113.15 1rr9 s THR 673 Ca 0.08 1.49 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 1rr9 s THR 673 Cb 0.16 -4.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 1rr9 s THR 673 CO 0.76 -0.73 1.99 -2.84 -0.69 0.00 0.00 174.62 173.11 1rr9 s PRO 674 N 4.03 4.07 0.09 4.92 0.02 -1.26 -4.60 135.00 142.26 1rr9 s PRO 674 Ca 0.46 2.57 0.03 0.00 0.02 0.00 0.00 61.00 64.08 1rr9 s PRO 674 Cb -0.10 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.21 1rr9 s PRO 674 CO 0.23 -1.04 -0.09 -1.59 -0.33 0.00 0.00 177.00 174.18 1rr9 s LYS 675 N 4.60 0.77 0.31 5.54 -2.85 -0.65 0.13 119.74 127.60 1rr9 s LYS 675 Ca 0.89 -1.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 1rr9 s LYS 675 Cb -0.42 -0.39 0.06 0.00 -2.06 0.00 0.00 37.83 35.02 1rr9 s LYS 675 CO 0.41 0.05 0.88 0.34 0.10 0.00 0.00 175.35 177.12 1rr9 s ASP 676 N -2.43 -0.01 0.00 0.03 -1.08 -0.67 -0.03 116.67 112.48 1rr9 s ASP 676 Ca 0.04 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1rr9 s ASP 676 Cb -0.02 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1rr9 s ASP 676 CO -0.01 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 174.85 1rr9 n GLY 677 N -0.58 2.03 0.60 2.66 0.00 -1.26 -3.62 105.19 105.01 1rr9 n GLY 677 Ca -0.06 -1.97 0.13 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 1.42 1.69 0.16 1.61 -0.04 -1.26 -3.11 135.00 135.47 1rr9 n PRO 678 Ca 0.00 -1.20 0.12 0.00 -0.04 0.00 0.00 63.50 62.38 1rr9 n PRO 678 Cb 0.00 -1.48 0.59 0.00 -0.04 0.00 0.00 33.50 32.58 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 4.30 1.00 -0.16 0.55 0.00 -1.87 -1.99 119.26 121.09 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 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 -1.80 2.50 -0.03 0.00 0.00 -1.26 -1.09 120.51 118.83 1rr9 n ALA 680 Ca -0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 1rr9 n ALA 680 Cb 0.10 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 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 4.80 -1.12 1.71 0.00 0.00 -1.30 0.18 103.07 107.34 1rr9 h GLY 681 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 1rr9 h GLY 681 CO 0.00 -0.21 -0.05 0.16 0.00 0.00 0.00 176.54 176.44 1rr9 h ILE 682 N -0.52 1.18 -0.35 2.60 3.07 -1.76 -0.22 117.51 121.51 1rr9 h ILE 682 Ca 0.04 -0.73 -0.02 0.00 1.55 0.00 0.00 64.86 65.70 1rr9 h ILE 682 Cb 0.62 1.06 -0.02 0.00 -0.27 0.00 0.00 36.82 38.21 1rr9 h ILE 682 CO -0.43 0.24 0.15 0.00 -1.05 0.00 0.00 178.15 177.05 1rr9 h ALA 683 N 1.60 0.46 -0.75 0.16 0.00 -1.68 0.96 119.26 120.01 1rr9 h ALA 683 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1rr9 h ALA 683 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rr9 h ALA 683 CO 0.01 0.05 0.37 0.52 0.00 0.00 0.00 179.25 180.20 1rr9 h MET 684 N 0.43 1.07 0.06 0.00 2.86 0.01 -0.41 114.93 118.95 1rr9 h MET 684 Ca 0.12 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1rr9 h MET 684 Cb 0.17 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1rr9 h MET 684 CO -0.01 0.83 -0.07 0.00 1.06 0.00 0.00 176.91 178.72 1rr9 h THR 686 N -0.14 1.05 -0.75 0.00 2.02 -0.58 -2.12 112.91 112.39 1rr9 h THR 686 Ca 0.01 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1rr9 h THR 686 Cb 0.15 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 1rr9 h THR 686 CO -0.03 0.12 0.45 0.00 0.37 0.00 0.00 175.52 176.44 1rr9 h ALA 687 N 1.26 1.01 -0.61 6.16 0.00 -0.84 -0.76 119.26 125.49 1rr9 h ALA 687 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1rr9 h ALA 687 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1rr9 h ALA 687 CO -0.11 0.19 0.35 1.25 0.00 0.00 0.00 179.25 180.93 1rr9 h LEU 688 N 0.85 0.75 0.09 0.00 7.12 -0.78 0.83 115.31 124.16 1rr9 h LEU 688 Ca 0.32 -0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 1rr9 h LEU 688 Cb 0.13 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1rr9 h LEU 688 CO -0.16 0.61 -0.05 0.58 -0.13 0.00 0.00 178.44 179.30 1rr9 h VAL 689 N 0.82 0.93 -0.23 1.05 2.07 -0.87 -0.89 116.25 119.14 1rr9 h VAL 689 Ca 0.22 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1rr9 h VAL 689 Cb 0.02 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1rr9 h VAL 689 CO -0.04 0.02 0.00 -1.28 0.02 0.00 0.00 177.57 176.30 1rr9 h SER 690 N -0.17 -0.08 -0.17 0.57 0.87 -0.86 0.11 113.55 113.82 1rr9 h SER 690 Ca -0.01 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1rr9 h SER 690 Cb 0.13 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1rr9 h SER 690 CO 0.02 -0.01 -0.10 0.00 -0.53 0.00 0.00 176.83 176.21 1rr9 h LEU 692 N -0.09 0.01 -0.91 0.00 3.38 -0.83 -3.24 115.31 113.64 1rr9 h LEU 692 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rr9 h LEU 692 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rr9 h LEU 692 CO -0.23 0.58 -0.48 0.35 0.09 0.00 0.00 178.44 178.75 1rr9 n THR 693 N -3.86 0.00 -0.87 0.22 -2.24 0.36 -4.95 114.28 102.95 1rr9 n THR 693 Ca -0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1rr9 n THR 693 Cb 0.58 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.37 0.41 3.62 3.38 0.00 0.53 -4.96 105.19 109.55 1rr9 n GLY 694 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.29 6.77 0.57 1.61 3.04 -1.15 -5.01 114.94 118.48 1rr9 s ASN 695 Ca 0.00 0.75 -0.20 0.00 0.04 0.00 0.00 52.86 53.45 1rr9 s ASN 695 Cb 0.00 -2.51 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 1rr9 s ASN 695 CO 0.00 -0.92 1.26 -2.16 -3.04 0.00 0.00 177.10 172.25 1rr9 s PRO 696 N 3.67 3.08 -0.02 0.43 0.04 -1.26 -4.34 135.00 136.60 1rr9 s PRO 696 Ca 0.42 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 1rr9 s PRO 696 Cb -0.11 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1rr9 s PRO 696 CO 0.19 -1.16 0.27 0.08 0.04 0.00 0.00 177.00 176.42 1rr9 s VAL 697 N -1.46 5.29 -0.16 -0.36 1.01 -1.26 -0.31 120.40 123.16 1rr9 s VAL 697 Ca 0.74 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 1rr9 s VAL 697 Cb -0.34 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1rr9 s VAL 697 CO 0.39 0.45 1.65 -0.13 0.00 0.00 0.00 175.10 177.46 1rr9 s ARG 698 N -1.51 3.92 0.46 2.72 0.52 -0.89 -4.88 118.95 119.29 1rr9 s ARG 698 Ca 0.25 1.88 0.31 0.00 -0.52 0.00 0.00 55.73 57.65 1rr9 s ARG 698 Cb -0.14 -4.03 1.54 0.00 0.52 0.00 0.00 34.95 32.85 1rr9 s ARG 698 CO 0.13 -1.15 1.95 0.00 0.02 0.00 0.00 175.30 176.25 1rr9 h ALA 699 N 10.43 1.00 -0.50 2.13 0.00 -1.95 -2.56 119.26 127.82 1rr9 h ALA 699 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rr9 h ALA 699 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rr9 h ALA 699 CO 0.98 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 1rr9 n ASP 700 N -2.68 3.35 -4.52 0.00 5.75 -1.26 -4.91 116.55 112.28 1rr9 n ASP 700 Ca -0.01 -2.21 -0.28 0.00 -0.01 0.00 0.00 54.79 52.28 1rr9 n ASP 700 Cb 0.15 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.69 1rr9 n ASP 700 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1rr9 s VAL 701 N -1.59 2.99 0.03 2.12 -7.23 -0.97 -1.75 120.40 114.00 1rr9 s VAL 701 Ca 0.37 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1rr9 s VAL 701 Cb 0.22 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1rr9 s VAL 701 CO 0.20 0.02 -0.03 0.00 -0.31 0.00 0.00 175.10 174.98 1rr9 s ALA 702 N -1.36 0.19 0.02 1.32 0.00 -0.15 -4.28 121.76 117.50 1rr9 s ALA 702 Ca 0.21 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1rr9 s ALA 702 Cb -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1rr9 s ALA 702 CO 0.12 -0.19 0.14 0.00 0.00 0.00 0.00 175.76 175.84 1rr9 s MET 703 N -1.82 0.57 -0.04 0.00 0.23 -0.77 0.04 119.30 117.50 1rr9 s MET 703 Ca -0.13 -0.55 -0.09 0.00 -1.03 0.00 0.00 55.69 53.89 1rr9 s MET 703 Cb -0.07 0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1rr9 s MET 703 CO -0.02 -0.15 0.21 -0.08 -2.03 0.00 0.00 175.02 172.96 1rr9 s THR 704 N -2.00 0.04 0.00 3.16 -1.32 -1.07 -1.57 115.64 112.88 1rr9 s THR 704 Ca -0.10 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1rr9 s THR 704 Cb -0.04 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1rr9 s THR 704 CO -0.01 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1rr9 n GLY 705 N 2.12 4.02 3.76 6.08 0.00 -0.25 -3.90 105.19 117.03 1rr9 n GLY 705 Ca -0.18 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.68 4.45 0.03 1.61 2.12 -0.94 -2.72 118.70 120.58 1rr9 s GLU 706 Ca 0.00 0.99 0.01 0.00 0.36 0.00 0.00 54.97 56.33 1rr9 s GLU 706 Cb 0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1rr9 s GLU 706 CO 0.00 0.38 0.06 -1.50 -0.54 0.00 0.00 175.26 173.66 1rr9 s ILE 707 N -0.37 4.50 0.24 -3.70 2.07 -1.26 0.97 121.20 123.65 1rr9 s ILE 707 Ca 0.36 -0.60 0.08 0.00 -1.41 0.00 0.00 60.65 59.07 1rr9 s ILE 707 Cb -0.20 -3.09 -0.04 0.00 0.13 0.00 0.00 42.46 39.26 1rr9 s ILE 707 CO 0.22 0.27 0.08 0.42 -1.91 0.00 0.00 174.94 174.02 1rr9 s THR 708 N -1.24 3.94 0.51 4.00 -4.23 -0.17 -4.93 115.64 113.53 1rr9 s THR 708 Ca 0.24 -1.58 0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1rr9 s THR 708 Cb -0.12 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.92 1rr9 s THR 708 CO 0.16 -0.30 2.13 -0.07 -0.54 0.00 0.00 174.62 176.00 1rr9 h LEU 709 N 1.93 0.03 0.00 4.79 4.07 -1.89 0.10 115.31 124.35 1rr9 h LEU 709 Ca -0.47 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1rr9 h LEU 709 Cb 1.23 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1rr9 h LEU 709 CO 0.60 0.02 0.00 -2.11 -1.08 0.00 0.00 178.44 175.88 1rr9 n ARG 710 N -4.52 0.93 -0.72 1.13 1.85 -1.26 -4.77 116.66 109.30 1rr9 n ARG 710 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1rr9 n ARG 710 Cb 0.15 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 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 0.69 0.79 3.86 2.89 0.00 0.35 -5.00 105.19 108.77 1rr9 n GLY 711 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.28 3.90 -0.27 1.61 -1.52 -1.25 -1.37 119.66 120.48 1rr9 s GLN 712 Ca 0.00 0.67 -0.10 0.00 -1.95 0.00 0.00 55.36 53.99 1rr9 s GLN 712 Cb 0.00 -2.33 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1rr9 s GLN 712 CO 0.00 -0.04 0.15 0.08 -0.25 0.00 0.00 175.29 175.23 1rr9 s VAL 713 N -2.32 4.95 0.30 1.09 1.01 0.23 -1.00 120.40 124.66 1rr9 s VAL 713 Ca 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1rr9 s VAL 713 Cb -0.10 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1rr9 s VAL 713 CO 0.27 0.27 0.53 -0.76 0.00 0.00 0.00 175.10 175.40 1rr9 s LEU 714 N 1.71 4.06 0.66 3.92 1.43 0.27 -4.72 118.68 126.01 1rr9 s LEU 714 Ca 0.07 0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 53.58 1rr9 s LEU 714 Cb -0.16 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1rr9 s LEU 714 CO 0.08 -0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.39 1rr9 s PRO 715 N -3.85 2.79 0.27 1.29 0.04 -1.26 -2.21 135.00 132.07 1rr9 s PRO 715 Ca 0.41 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1rr9 s PRO 715 Cb -0.10 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1rr9 s PRO 715 CO 0.33 -1.26 -0.11 0.96 0.04 0.00 0.00 177.00 176.96 1rr9 s ILE 716 N -2.38 1.89 0.57 0.56 -5.25 -1.26 -4.63 121.20 110.71 1rr9 s ILE 716 Ca 0.66 -2.20 0.02 0.00 -0.99 0.00 0.00 60.65 58.14 1rr9 s ILE 716 Cb -0.20 -2.36 0.05 0.00 2.95 0.00 0.00 42.46 42.90 1rr9 s ILE 716 CO 0.42 -0.37 0.80 -0.83 -1.79 0.00 0.00 174.94 173.17 1rr9 s GLY 717 N -3.45 1.82 -1.41 6.27 0.00 -1.26 -4.54 107.32 104.75 1rr9 s GLY 717 Ca 0.28 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 1rr9 s GLY 717 CO 0.12 -1.13 0.88 0.61 0.00 0.00 0.00 173.10 173.57 1rr9 n GLY 718 N -2.39 -0.40 0.33 0.20 0.00 -1.26 -4.89 105.19 96.78 1rr9 n GLY 718 Ca 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.04 0.93 0.57 0.99 7.12 -1.98 -2.80 115.31 118.10 1rr9 h LEU 719 Ca -0.59 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.28 1rr9 h LEU 719 Cb 1.37 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1rr9 h LEU 719 CO 0.61 0.80 -0.43 0.50 -0.13 0.00 0.00 178.44 179.79 1rr9 h LYS 720 N 1.01 -0.92 -0.04 1.25 3.64 -1.91 -1.75 116.57 117.85 1rr9 h LYS 720 Ca 0.24 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1rr9 h LYS 720 Cb 0.13 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1rr9 h LYS 720 CO -0.03 -0.62 0.03 1.05 -2.27 0.00 0.00 179.45 177.61 1rr9 h GLU 721 N -0.96 0.00 -0.10 1.90 4.11 -1.89 0.12 114.58 117.76 1rr9 h GLU 721 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1rr9 h GLU 721 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1rr9 h GLU 721 CO 0.02 0.00 0.03 0.87 0.07 0.00 0.00 179.01 180.01 1rr9 h LYS 722 N 0.00 0.16 -0.34 1.06 1.57 -1.18 0.13 116.57 117.97 1rr9 h LYS 722 Ca 0.02 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1rr9 h LYS 722 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1rr9 h LYS 722 CO -0.00 0.30 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.78 1rr9 h LEU 723 N -0.02 0.88 -1.25 2.94 3.38 -0.80 -1.44 115.31 118.99 1rr9 h LEU 723 Ca 0.03 -0.47 0.14 0.00 0.09 0.00 0.00 57.88 57.67 1rr9 h LEU 723 Cb 0.21 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1rr9 h LEU 723 CO -0.00 1.16 0.58 0.25 0.09 0.00 0.00 178.44 180.52 1rr9 h LEU 724 N 0.60 0.69 -0.23 1.67 6.46 -0.63 0.58 115.31 124.46 1rr9 h LEU 724 Ca 0.05 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.71 1rr9 h LEU 724 Cb 0.92 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1rr9 h LEU 724 CO 0.08 0.35 -0.41 0.00 -0.62 0.00 0.00 178.44 177.85 1rr9 h ALA 725 N 1.59 0.36 0.00 1.25 0.00 -0.36 -0.10 119.26 122.00 1rr9 h ALA 725 Ca 0.45 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rr9 h ALA 725 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rr9 h ALA 725 CO -0.21 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 1rr9 h ALA 726 N 0.63 1.54 0.06 0.00 0.00 0.23 0.34 119.26 122.05 1rr9 h ALA 726 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rr9 h ALA 726 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rr9 h ALA 726 CO 0.09 0.23 -0.03 1.25 0.00 0.00 0.00 179.25 180.79 1rr9 h HIS 727 N 0.00 -0.07 -0.30 0.00 6.17 0.24 0.11 115.15 121.30 1rr9 h HIS 727 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1rr9 h HIS 727 Cb 0.35 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 1rr9 h HIS 727 CO 0.00 0.55 0.20 0.00 0.71 0.00 0.00 177.93 179.38 1rr9 h ARG 728 N -0.83 0.40 0.00 5.26 3.08 -0.69 -0.99 114.38 120.61 1rr9 h ARG 728 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1rr9 h ARG 728 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1rr9 h ARG 728 CO 0.01 0.26 0.00 0.78 -1.07 0.00 0.00 179.97 179.96 1rr9 h GLY 729 N 0.41 0.00 -0.98 0.04 0.00 -0.32 -3.47 103.07 98.74 1rr9 h GLY 729 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1rr9 h GLY 729 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1rr9 n GLY 730 N 0.77 0.94 3.74 4.60 0.00 -0.38 -5.05 105.19 109.82 1rr9 n GLY 730 Ca 0.04 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.95 4.88 -0.11 -0.61 -1.09 0.31 -5.00 121.20 116.64 1rr9 s ILE 731 Ca 0.00 1.44 -0.26 0.00 -2.23 0.00 0.00 60.65 59.60 1rr9 s ILE 731 Cb 0.00 -4.03 -0.23 0.00 -1.58 0.00 0.00 42.46 36.62 1rr9 s ILE 731 CO 0.00 0.35 0.84 0.11 -1.23 0.00 0.00 174.94 175.01 1rr9 h LYS 732 N 5.96 -0.01 -5.76 2.79 1.57 -1.76 -3.45 116.57 115.90 1rr9 h LYS 732 Ca -0.44 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.80 1rr9 h LYS 732 Cb 1.20 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.24 1rr9 h LYS 732 CO 0.72 0.79 -0.83 -0.08 -0.57 0.00 0.00 179.45 179.48 1rr9 s THR 733 N -2.68 1.43 -0.05 -0.16 -1.32 -0.72 -1.86 115.64 110.29 1rr9 s THR 733 Ca -0.17 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 1rr9 s THR 733 Cb -0.02 -1.23 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1rr9 s THR 733 CO 0.63 0.26 -0.10 0.54 -2.21 0.00 0.00 174.62 173.74 1rr9 s VAL 734 N -0.62 0.96 0.05 5.08 0.11 -0.67 -0.98 120.40 124.33 1rr9 s VAL 734 Ca 0.06 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.59 1rr9 s VAL 734 Cb -0.08 -0.89 -0.06 0.00 -1.53 0.00 0.00 36.38 33.83 1rr9 s VAL 734 CO 0.01 0.31 0.43 -0.76 -3.33 0.00 0.00 175.10 171.76 1rr9 s LEU 735 N 0.62 4.41 0.08 2.54 1.02 0.11 -0.96 118.68 126.50 1rr9 s LEU 735 Ca -0.12 0.93 -0.07 0.00 0.02 0.00 0.00 54.13 54.89 1rr9 s LEU 735 Cb -0.14 -2.83 -0.01 0.00 0.02 0.00 0.00 46.19 43.23 1rr9 s LEU 735 CO 0.02 0.24 0.15 0.27 0.02 0.00 0.00 176.35 177.05 1rr9 s ILE 736 N -1.25 0.16 0.21 -0.59 -4.36 -1.19 -2.60 121.20 111.58 1rr9 s ILE 736 Ca 0.29 -1.28 -0.31 0.00 -0.26 0.00 0.00 60.65 59.09 1rr9 s ILE 736 Cb -0.16 -1.34 -0.11 0.00 1.25 0.00 0.00 42.46 42.10 1rr9 s ILE 736 CO 0.16 -0.71 1.65 -2.84 0.24 0.00 0.00 174.94 173.44 1rr9 s PRO 737 N -3.78 4.16 0.31 0.37 0.02 -1.25 0.30 135.00 135.13 1rr9 s PRO 737 Ca 0.05 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.66 1rr9 s PRO 737 Cb 0.05 -3.09 0.82 0.00 0.02 0.00 0.00 34.50 32.30 1rr9 s PRO 737 CO -0.10 -0.68 1.73 0.35 -0.33 0.00 0.00 177.00 177.97 1rr9 h PHE 738 N 6.39 0.94 0.00 6.54 3.57 0.13 0.50 116.94 135.01 1rr9 h PHE 738 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1rr9 h PHE 738 Cb 1.21 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1rr9 h PHE 738 CO 0.63 0.07 0.00 0.39 -2.23 0.00 0.00 178.31 177.18 1rr9 n GLU 739 N -4.90 0.02 -0.33 1.11 4.71 -1.26 -1.67 120.64 118.32 1rr9 n GLU 739 Ca 0.25 0.43 0.10 0.00 -0.01 0.00 0.00 57.16 57.93 1rr9 n GLU 739 Cb 0.69 -1.56 0.28 0.00 -1.01 0.00 0.00 31.44 29.84 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 -1.61 3.45 -0.15 1.62 4.13 0.17 -4.43 115.26 118.44 1rr9 n ASN 740 Ca 0.01 -2.02 -0.08 0.00 1.68 0.00 0.00 54.58 54.17 1rr9 n ASN 740 Cb 0.07 -0.43 0.01 0.00 -1.54 0.00 0.00 39.78 37.88 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 3.72 0.63 0.00 3.52 1.57 -1.41 -0.67 116.57 123.92 1rr9 h LYS 741 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1rr9 h LYS 741 Cb 0.87 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1rr9 h LYS 741 CO 0.01 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 1rr9 h ARG 742 N 0.59 0.00 0.00 3.15 2.47 -1.83 0.64 114.38 119.40 1rr9 h ARG 742 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1rr9 h ARG 742 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1rr9 h ARG 742 CO -0.03 0.00 0.00 -0.44 0.56 0.00 0.00 179.97 180.06 1rr9 h ASP 743 N 0.00 0.00 0.83 7.04 5.19 -1.41 -3.27 116.42 124.81 1rr9 h ASP 743 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rr9 h ASP 743 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1rr9 h ASP 743 CO 0.00 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 176.05 1rr9 h LEU 744 N 0.00 0.00 -0.37 1.55 3.38 -0.87 -2.97 115.31 116.04 1rr9 h LEU 744 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rr9 h LEU 744 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1rr9 h LEU 744 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 178.44 179.58 1rr9 h GLU 745 N 0.00 0.00 -0.19 1.13 4.11 -1.75 -2.72 114.58 115.16 1rr9 h GLU 745 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1rr9 h GLU 745 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1rr9 h GLU 745 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.23 1rr9 n GLU 746 N -2.47 2.20 -3.05 1.06 0.28 -1.12 -4.91 120.64 112.63 1rr9 n GLU 746 Ca 0.04 -1.78 -0.40 0.00 -0.16 0.00 0.00 57.16 54.86 1rr9 n GLU 746 Cb 0.37 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.72 1rr9 n GLU 746 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rr9 s ILE 747 N -1.77 4.83 0.33 3.84 -1.09 -1.03 -4.98 121.20 121.33 1rr9 s ILE 747 Ca 0.34 1.50 -0.27 0.00 -2.23 0.00 0.00 60.65 60.00 1rr9 s ILE 747 Cb 0.21 -4.06 -0.13 0.00 -1.58 0.00 0.00 42.46 36.90 1rr9 s ILE 747 CO 0.30 0.36 0.92 -2.65 -1.23 0.00 0.00 174.94 172.64 1rr9 n PRO 748 N 2.96 1.18 -0.26 2.79 -0.02 -1.26 -4.79 135.00 135.60 1rr9 n PRO 748 Ca -0.03 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1rr9 n PRO 748 Cb 0.51 -1.79 0.15 0.00 -0.02 0.00 0.00 33.50 32.34 1rr9 n PRO 748 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rr9 h ASP 749 N 1.69 0.54 -0.28 2.55 5.19 -1.97 -1.94 116.42 122.21 1rr9 h ASP 749 Ca -0.40 0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 55.92 1rr9 h ASP 749 Cb 1.35 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.82 1rr9 h ASP 749 CO 0.58 0.31 -0.40 -0.55 -3.12 0.00 0.00 179.24 176.06 1rr9 h ASN 750 N 0.67 0.84 -0.35 6.45 -1.07 -1.98 -2.64 115.58 117.50 1rr9 h ASN 750 Ca 0.37 -0.51 -0.06 0.00 0.07 0.00 0.00 56.30 56.17 1rr9 h ASN 750 Cb 0.37 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.37 1rr9 h ASN 750 CO -0.26 1.18 0.01 -0.37 0.07 0.00 0.00 177.43 178.06 1rr9 h VAL 751 N 0.52 1.26 0.00 6.14 -1.51 -1.90 1.37 116.25 122.13 1rr9 h VAL 751 Ca 0.03 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 64.52 1rr9 h VAL 751 Cb 1.00 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1rr9 h VAL 751 CO 0.09 0.32 -0.06 -0.29 -1.23 0.00 0.00 177.57 176.40 1rr9 h ILE 752 N 0.44 0.38 0.05 7.19 6.09 -1.40 0.52 117.51 130.76 1rr9 h ILE 752 Ca 0.10 -0.34 -0.18 0.00 -1.37 0.00 0.00 64.86 63.07 1rr9 h ILE 752 Cb 0.45 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1rr9 h ILE 752 CO 0.02 0.06 -0.95 0.00 -3.07 0.00 0.00 178.15 174.20 1rr9 h ALA 753 N 1.94 0.14 -0.30 0.18 0.00 -0.98 -3.35 119.26 116.89 1rr9 h ALA 753 Ca -0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1rr9 h ALA 753 Cb 0.23 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1rr9 h ALA 753 CO 0.01 0.54 0.16 0.22 0.00 0.00 0.00 179.25 180.18 1rr9 h ASP 754 N -0.72 0.36 -3.00 0.00 3.58 0.24 -3.44 116.42 113.44 1rr9 h ASP 754 Ca -0.23 -0.02 -0.63 0.00 0.42 0.00 0.00 57.03 56.57 1rr9 h ASP 754 Cb 1.40 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.30 1rr9 h ASP 754 CO -0.04 0.30 -0.54 -0.76 -2.88 0.00 0.00 179.24 175.33 1rr9 s LEU 755 N -9.31 4.16 -0.73 2.28 1.43 0.18 -4.94 118.68 111.75 1rr9 s LEU 755 Ca -0.07 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1rr9 s LEU 755 Cb 0.17 -2.76 0.19 0.00 0.03 0.00 0.00 46.19 43.82 1rr9 s LEU 755 CO 0.72 0.18 0.60 -0.62 0.23 0.00 0.00 176.35 177.46 1rr9 s ASP 756 N -2.42 5.82 0.12 2.29 2.15 -0.77 -4.82 116.67 119.04 1rr9 s ASP 756 Ca 0.32 -2.95 -0.29 0.00 0.43 0.00 0.00 52.55 50.07 1rr9 s ASP 756 Cb -0.13 -1.97 -0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1rr9 s ASP 756 CO 0.25 -0.40 0.92 -0.63 -0.17 0.00 0.00 175.17 175.14 1rr9 s ILE 757 N -0.21 4.47 -0.43 4.11 1.01 -1.26 -1.68 121.20 127.21 1rr9 s ILE 757 Ca 0.19 1.99 0.02 0.00 0.00 0.00 0.00 60.65 62.84 1rr9 s ILE 757 Cb -0.15 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.17 1rr9 s ILE 757 CO -0.06 0.36 0.23 -1.00 0.00 0.00 0.00 174.94 174.47 1rr9 s HIS 758 N -0.24 1.89 0.30 3.97 3.76 -0.13 -4.94 115.29 119.89 1rr9 s HIS 758 Ca 0.44 -2.34 -0.29 0.00 -0.15 0.00 0.00 55.06 52.71 1rr9 s HIS 758 Cb -0.23 -1.82 -0.12 0.00 1.11 0.00 0.00 32.58 31.52 1rr9 s HIS 758 CO 0.29 -0.79 1.40 -2.30 -0.85 0.00 0.00 174.74 172.49 1rr9 n PRO 759 N 3.63 2.24 -4.38 8.40 -0.02 -1.26 -3.20 135.00 140.42 1rr9 n PRO 759 Ca 0.08 0.79 -0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1rr9 n PRO 759 Cb 0.35 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 1rr9 n PRO 759 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rr9 s VAL 760 N -0.55 1.55 0.00 -1.45 -7.23 0.15 -4.75 120.40 108.12 1rr9 s VAL 760 Ca 0.61 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1rr9 s VAL 760 Cb -0.58 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1rr9 s VAL 760 CO 0.56 -0.41 0.00 0.29 -0.31 0.00 0.00 175.10 175.23 1rr9 n LYS 761 N -0.48 3.01 -4.63 4.82 5.02 -1.26 0.16 118.16 124.79 1rr9 n LYS 761 Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 1rr9 n LYS 761 Cb 0.62 -0.91 -0.08 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.80 2.08 0.21 1.97 0.52 -1.26 -0.60 118.95 120.06 1rr9 s ARG 762 Ca 0.00 -2.31 0.20 0.00 -0.52 0.00 0.00 55.73 53.11 1rr9 s ARG 762 Cb 0.00 -0.96 0.02 0.00 0.52 0.00 0.00 34.95 34.53 1rr9 s ARG 762 CO 0.00 -0.47 1.12 0.97 0.02 0.00 0.00 175.30 176.94 1rr9 h ILE 763 N 1.56 0.22 -0.44 1.52 6.09 -1.57 -3.29 117.51 121.60 1rr9 h ILE 763 Ca -0.38 -1.39 -0.00 0.00 -1.37 0.00 0.00 64.86 61.72 1rr9 h ILE 763 Cb 1.30 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 40.38 1rr9 h ILE 763 CO 0.62 0.13 0.27 -0.33 -3.07 0.00 0.00 178.15 175.78 1rr9 h GLU 764 N 0.00 0.60 0.89 2.19 4.39 -1.97 -0.43 114.58 120.25 1rr9 h GLU 764 Ca -0.04 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1rr9 h GLU 764 Cb 1.19 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1rr9 h GLU 764 CO 0.02 0.43 -0.43 0.93 -1.16 0.00 0.00 179.01 178.80 1rr9 h GLU 765 N 0.59 -1.15 -0.97 2.33 5.08 -1.99 -1.81 114.58 116.67 1rr9 h GLU 765 Ca 0.16 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 1rr9 h GLU 765 Cb -0.02 0.26 -0.16 0.00 0.50 0.00 0.00 28.75 29.33 1rr9 h GLU 765 CO -0.03 -0.76 -0.35 0.28 -1.00 0.00 0.00 179.01 177.14 1rr9 n VAL 766 N -5.20 -0.49 -0.18 3.13 0.31 -1.11 0.29 118.33 115.09 1rr9 n VAL 766 Ca -0.15 2.27 -0.08 0.00 -0.01 0.00 0.00 64.34 66.37 1rr9 n VAL 766 Cb 0.47 -3.03 0.01 0.00 -0.91 0.00 0.00 33.84 30.38 1rr9 n VAL 766 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rr9 h LEU 767 N 0.00 0.74 -0.45 7.52 3.38 -0.94 0.75 115.31 126.30 1rr9 h LEU 767 Ca 0.37 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1rr9 h LEU 767 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rr9 h LEU 767 CO -0.97 0.75 -0.16 0.71 0.09 0.00 0.00 178.44 178.85 1rr9 h THR 768 N 0.69 1.27 -0.28 0.22 1.35 -0.29 -0.06 112.91 115.82 1rr9 h THR 768 Ca 0.16 -1.30 -0.14 0.00 -0.55 0.00 0.00 66.41 64.58 1rr9 h THR 768 Cb 0.27 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1rr9 h THR 768 CO -0.01 0.45 -0.40 -0.07 -0.25 0.00 0.00 175.52 175.24 1rr9 h LEU 769 N 0.75 0.70 0.00 3.87 3.38 0.05 -3.34 115.31 120.72 1rr9 h LEU 769 Ca 0.11 -0.31 -0.29 0.00 0.09 0.00 0.00 57.88 57.47 1rr9 h LEU 769 Cb 0.72 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1rr9 h LEU 769 CO 0.06 1.02 -1.72 0.00 0.09 0.00 0.00 178.44 177.88 1rr9 n ALA 770 N -2.51 1.48 -1.80 1.53 0.00 0.26 -4.94 120.51 114.52 1rr9 n ALA 770 Ca -0.02 -0.77 -0.35 0.00 0.00 0.00 0.00 53.44 52.30 1rr9 n ALA 770 Cb 0.53 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 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 -6.10 4.05 0.41 0.00 1.43 -0.04 -2.09 118.68 116.33 1rr9 s LEU 771 Ca -0.05 1.86 0.28 0.00 -1.03 0.00 0.00 54.13 55.18 1rr9 s LEU 771 Cb 0.08 -4.35 0.95 0.00 0.03 0.00 0.00 46.19 42.89 1rr9 s LEU 771 CO 0.82 -0.43 1.80 -0.61 0.23 0.00 0.00 176.35 178.17 1rr9 h GLN 772 N 2.23 0.00 0.00 1.70 5.75 -0.96 -3.28 115.11 120.54 1rr9 h GLN 772 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1rr9 h GLN 772 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1rr9 h GLN 772 CO 0.62 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.89 1rr9 n ASN 773 N -2.78 0.83 0.00 -0.69 5.03 -1.26 -5.04 115.26 111.35 1rr9 n ASN 773 Ca 0.03 -1.29 0.00 0.00 0.87 0.00 0.00 54.58 54.19 1rr9 n ASN 773 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1rr9 n ASN 773 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64