#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j48 s GLY 628 N 0.00 2.58 -0.04 0.00 0.00 -1.26 -5.04 107.32 103.57 2j48 s GLY 628 Ca 0.00 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.17 2j48 s GLY 628 CO 0.00 0.94 0.35 0.30 0.00 0.00 0.00 173.10 174.69 2j48 s HIS 629 N -1.89 3.68 0.04 1.90 0.09 -1.26 -4.59 115.29 113.26 2j48 s HIS 629 Ca 0.62 0.87 0.06 0.00 -0.00 0.00 0.00 55.06 56.61 2j48 s HIS 629 Cb -0.17 -2.23 -0.03 0.00 -0.00 0.00 0.00 32.58 30.15 2j48 s HIS 629 CO 0.21 0.62 -0.14 0.42 -0.00 0.00 0.00 174.74 175.86 2j48 s ILE 630 N -0.92 3.10 -0.13 0.60 1.01 -1.08 -3.56 121.20 120.22 2j48 s ILE 630 Ca 0.21 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2j48 s ILE 630 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2j48 s ILE 630 CO 0.11 0.32 -0.01 -0.22 0.00 0.00 0.00 174.94 175.13 2j48 s LEU 631 N -1.54 3.44 -0.15 2.97 2.96 -1.07 -2.23 118.68 123.06 2j48 s LEU 631 Ca 0.16 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2j48 s LEU 631 Cb -0.11 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.81 2j48 s LEU 631 CO 0.07 0.26 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.08 2j48 s LEU 632 N -0.20 1.47 -0.23 -0.68 1.98 -0.81 -0.75 118.68 119.46 2j48 s LEU 632 Ca 0.05 -0.54 -0.05 0.00 -2.89 0.00 0.00 54.13 50.69 2j48 s LEU 632 Cb -0.13 -0.89 -0.02 0.00 0.66 0.00 0.00 46.19 45.81 2j48 s LEU 632 CO 0.02 -0.16 0.00 -0.22 -1.89 0.00 0.00 176.35 174.11 2j48 s LEU 633 N 1.66 3.13 0.03 -0.68 0.20 -0.86 -2.12 118.68 120.04 2j48 s LEU 633 Ca 0.02 -0.30 -0.27 0.00 0.69 0.00 0.00 54.13 54.27 2j48 s LEU 633 Cb -0.14 -1.82 0.07 0.00 -0.43 0.00 0.00 46.19 43.87 2j48 s LEU 633 CO -0.08 -0.02 0.63 -0.70 -0.29 0.00 0.00 176.35 175.89 2j48 s GLU 634 N 1.49 1.13 -0.07 1.98 2.12 -1.05 -1.54 118.70 122.76 2j48 s GLU 634 Ca 0.06 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.35 2j48 s GLU 634 Cb -0.15 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 2j48 s GLU 634 CO -0.00 -0.41 -0.11 -2.00 -0.54 0.00 0.00 175.26 172.20 2j48 s GLU 635 N -2.21 2.70 0.00 4.30 2.12 -1.26 -4.47 118.70 119.88 2j48 s GLU 635 Ca -0.06 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.63 2j48 s GLU 635 Cb -0.00 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.90 2j48 s GLU 635 CO 0.01 0.59 0.00 -1.91 -0.54 0.00 0.00 175.26 173.41 2j48 n GLU 636 N 2.42 0.00 -0.18 4.30 2.13 -1.26 -4.66 120.64 123.39 2j48 n GLU 636 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 2j48 n GLU 636 Cb 0.52 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.49 2j48 n GLU 636 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2j48 h ASP 637 N 0.00 0.81 0.01 4.31 1.82 -1.97 0.21 116.42 121.60 2j48 h ASP 637 Ca 0.00 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2j48 h ASP 637 Cb 0.00 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.81 2j48 h ASP 637 CO 0.00 0.62 -0.00 -0.08 -1.61 0.00 0.00 179.24 178.17 2j48 h GLU 638 N 0.94 -0.01 -0.50 0.28 4.22 -1.99 0.17 114.58 117.69 2j48 h GLU 638 Ca 0.25 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.59 2j48 h GLU 638 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2j48 h GLU 638 CO -0.05 0.36 -0.08 0.00 -2.18 0.00 0.00 179.01 177.07 2j48 h ALA 639 N 0.61 0.91 -0.41 2.92 0.00 -1.81 -2.34 119.26 119.15 2j48 h ALA 639 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2j48 h ALA 639 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2j48 h ALA 639 CO 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 179.61 2j48 h ALA 640 N 1.09 0.74 -0.47 0.00 0.00 -0.57 -2.82 119.26 117.22 2j48 h ALA 640 Ca 0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2j48 h ALA 640 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2j48 h ALA 640 CO 0.04 0.66 0.21 1.15 0.00 0.00 0.00 179.25 181.31 2j48 h THR 641 N 0.75 1.19 0.19 0.00 2.02 -0.46 0.14 112.91 116.74 2j48 h THR 641 Ca 0.09 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2j48 h THR 641 Cb 0.83 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2j48 h THR 641 CO 0.07 0.22 -0.23 0.58 0.37 0.00 0.00 175.52 176.53 2j48 h VAL 642 N 0.62 0.50 -0.84 3.16 2.07 -1.36 -0.56 116.25 119.84 2j48 h VAL 642 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2j48 h VAL 642 Cb 0.14 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2j48 h VAL 642 CO -0.02 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.66 2j48 h VAL 643 N -0.47 1.23 -0.73 2.57 2.07 -1.39 -2.35 116.25 117.18 2j48 h VAL 643 Ca 0.01 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.10 2j48 h VAL 643 Cb 0.45 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2j48 h VAL 643 CO -0.08 0.24 0.40 0.00 0.02 0.00 0.00 177.57 178.15 2j48 h GLU 645 N 0.71 0.94 0.04 0.00 4.81 -0.59 1.54 114.58 122.03 2j48 h GLU 645 Ca 0.34 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2j48 h GLU 645 Cb 0.28 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2j48 h GLU 645 CO -0.22 0.68 -0.02 0.52 -0.73 0.00 0.00 179.01 179.24 2j48 h MET 646 N 0.95 -0.06 -0.31 1.92 2.86 -0.68 -0.22 114.93 119.39 2j48 h MET 646 Ca 0.24 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 2j48 h MET 646 Cb 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2j48 h MET 646 CO -0.04 0.34 -0.14 -0.07 1.06 0.00 0.00 176.91 178.05 2j48 h LEU 647 N -0.46 0.67 -0.82 1.22 3.38 -0.51 -2.18 115.31 116.60 2j48 h LEU 647 Ca -0.01 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.63 2j48 h LEU 647 Cb 0.42 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2j48 h LEU 647 CO 0.01 0.92 0.49 0.74 0.09 0.00 0.00 178.44 180.69 2j48 h THR 648 N 0.41 0.99 0.00 0.22 2.02 0.22 0.61 112.91 117.38 2j48 h THR 648 Ca 0.07 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 2j48 h THR 648 Cb 0.67 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2j48 h THR 648 CO 0.04 0.16 -0.26 0.00 0.37 0.00 0.00 175.52 175.83 2j48 h ALA 649 N 1.41 1.44 0.00 6.16 0.00 -0.86 -1.88 119.26 125.53 2j48 h ALA 649 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2j48 h ALA 649 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2j48 h ALA 649 CO -0.20 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2j48 h ALA 650 N 1.74 1.00 0.00 0.00 0.00 -0.22 -3.45 119.26 118.33 2j48 h ALA 650 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j48 h ALA 650 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2j48 h ALA 650 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2j48 n GLY 651 N -0.78 0.79 3.89 0.00 0.00 -0.71 -5.04 105.19 103.35 2j48 n GLY 651 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2j48 n GLY 651 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j48 s PHE 652 N -2.99 3.49 -0.21 1.61 0.08 -1.24 -4.92 117.98 113.80 2j48 s PHE 652 Ca 0.00 0.61 -0.18 0.00 0.12 0.00 0.00 56.93 57.48 2j48 s PHE 652 Cb 0.00 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 2j48 s PHE 652 CO 0.00 0.44 0.50 0.21 -0.10 0.00 0.00 175.22 176.27 2j48 s LYS 653 N -2.54 4.16 0.10 0.44 2.20 -1.26 -4.51 119.74 118.32 2j48 s LYS 653 Ca 0.40 0.36 0.08 0.00 -0.36 0.00 0.00 55.97 56.45 2j48 s LYS 653 Cb -0.12 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2j48 s LYS 653 CO 0.23 -0.17 -0.19 0.14 -0.36 0.00 0.00 175.35 174.99 2j48 s VAL 654 N 1.73 1.58 -0.19 4.02 -7.23 -1.26 -2.63 120.40 116.41 2j48 s VAL 654 Ca 0.23 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2j48 s VAL 654 Cb -0.15 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2j48 s VAL 654 CO 0.09 -0.10 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.15 2j48 s ILE 655 N -1.20 3.96 -0.20 -0.62 -1.09 -0.95 -4.99 121.20 116.12 2j48 s ILE 655 Ca 0.05 -0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.00 2j48 s ILE 655 Cb -0.10 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2j48 s ILE 655 CO 0.04 0.44 0.36 0.86 -1.23 0.00 0.00 174.94 175.40 2j48 s TRP 656 N 0.90 3.37 0.03 3.97 -0.11 -1.26 -1.93 118.94 123.91 2j48 s TRP 656 Ca 0.01 0.56 0.07 0.00 1.22 0.00 0.00 56.10 57.96 2j48 s TRP 656 Cb -0.14 -2.48 -0.02 0.00 -1.50 0.00 0.00 33.47 29.33 2j48 s TRP 656 CO 0.02 0.02 -0.21 -0.51 -4.62 0.00 0.00 176.95 171.65 2j48 s LEU 657 N 1.20 2.13 0.00 5.86 1.43 -0.90 -5.01 118.68 123.38 2j48 s LEU 657 Ca 0.17 -0.48 0.22 0.00 -1.03 0.00 0.00 54.13 53.02 2j48 s LEU 657 Cb -0.14 -1.00 0.31 0.00 0.03 0.00 0.00 46.19 45.38 2j48 s LEU 657 CO 0.07 0.19 1.30 1.33 0.23 0.00 0.00 176.35 179.47 2j48 n VAL 658 N 2.05 0.29 -3.97 -1.59 0.24 -1.26 -2.54 118.33 111.54 2j48 n VAL 658 Ca -0.17 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.39 2j48 n VAL 658 Cb 0.53 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 2j48 n VAL 658 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2j48 s ASP 659 N -1.63 0.15 -0.21 -1.34 1.47 -1.26 -4.91 116.67 108.95 2j48 s ASP 659 Ca 0.32 -1.07 0.09 0.00 1.18 0.00 0.00 52.55 53.07 2j48 s ASP 659 Cb 0.20 0.67 -0.18 0.00 -0.34 0.00 0.00 42.92 43.27 2j48 s ASP 659 CO 0.29 -1.30 -0.08 0.61 0.68 0.00 0.00 175.17 175.38 2j48 n GLY 660 N -0.46 -0.59 0.26 2.12 0.00 -1.26 -4.23 105.19 101.02 2j48 n GLY 660 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2j48 n GLY 660 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2j48 h SER 661 N 0.00 0.48 -0.53 1.61 0.02 -1.98 0.26 113.55 113.41 2j48 h SER 661 Ca -0.50 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2j48 h SER 661 Cb 1.95 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.42 2j48 h SER 661 CO -0.03 0.30 0.21 0.74 -1.14 0.00 0.00 176.83 176.91 2j48 h THR 662 N 0.62 1.21 -0.70 -2.27 2.02 -2.01 -2.06 112.91 109.72 2j48 h THR 662 Ca 0.31 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 2j48 h THR 662 Cb 0.26 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2j48 h THR 662 CO -0.22 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.19 2j48 h ALA 663 N 1.42 1.13 -0.32 6.16 0.00 -1.19 -1.45 119.26 125.01 2j48 h ALA 663 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2j48 h ALA 663 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2j48 h ALA 663 CO -0.02 0.61 0.13 -0.07 0.00 0.00 0.00 179.25 179.91 2j48 h LEU 664 N 1.02 0.17 -0.70 0.00 3.38 -0.40 4.40 115.31 123.17 2j48 h LEU 664 Ca 0.23 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 2j48 h LEU 664 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2j48 h LEU 664 CO -0.02 0.13 0.23 0.44 0.09 0.00 0.00 178.44 179.32 2j48 h ASP 665 N 0.28 1.01 0.00 -0.43 3.32 -1.26 -2.80 116.42 116.54 2j48 h ASP 665 Ca 0.14 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2j48 h ASP 665 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2j48 h ASP 665 CO -0.13 0.94 -0.90 1.56 -1.72 0.00 0.00 179.24 178.99 2j48 h GLN 666 N 1.02 0.00 -1.04 3.56 4.20 -0.78 -3.39 115.11 118.68 2j48 h GLN 666 Ca 0.23 0.00 0.33 0.00 0.06 0.00 0.00 58.65 59.26 2j48 h GLN 666 Cb 0.28 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.92 2j48 h GLN 666 CO -0.01 0.54 0.61 1.25 -0.67 0.00 0.00 178.83 180.56 2j48 h LEU 667 N -1.00 0.49 -1.28 1.46 6.46 0.85 1.02 115.31 123.30 2j48 h LEU 667 Ca -0.19 0.17 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 2j48 h LEU 667 Cb 0.93 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 2j48 h LEU 667 CO -0.11 -0.11 0.56 -0.78 -0.62 0.00 0.00 178.44 177.38 2j48 h ASP 668 N 0.32 0.70 0.84 1.25 3.58 -1.55 0.31 116.42 121.86 2j48 h ASP 668 Ca 0.73 0.03 -0.20 0.00 0.42 0.00 0.00 57.03 58.00 2j48 h ASP 668 Cb 1.74 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 2j48 h ASP 668 CO -0.55 0.39 -0.94 -0.07 -2.88 0.00 0.00 179.24 175.19 2j48 h LEU 669 N 0.76 0.08 -0.34 2.28 3.38 0.83 -3.29 115.31 119.01 2j48 h LEU 669 Ca 0.41 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 58.12 2j48 h LEU 669 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2j48 h LEU 669 CO -0.18 0.98 -0.61 -0.07 0.09 0.00 0.00 178.44 178.65 2j48 h LEU 670 N 0.02 0.83 -3.27 1.67 3.38 0.49 -3.48 115.31 114.95 2j48 h LEU 670 Ca -0.03 -0.47 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 2j48 h LEU 670 Cb 1.64 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 42.18 2j48 h LEU 670 CO 0.13 1.24 -0.78 0.00 0.09 0.00 0.00 178.44 179.13 2j48 n GLN 671 N -3.96 -1.29 -1.77 1.13 1.13 0.82 -4.94 117.38 108.49 2j48 n GLN 671 Ca -0.05 0.80 -0.31 0.00 -1.94 0.00 0.00 57.00 55.51 2j48 n GLN 671 Cb 0.65 -3.70 0.03 0.00 0.11 0.00 0.00 30.24 27.34 2j48 n GLN 671 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2j48 s PRO 672 N -4.95 3.28 -0.00 -1.09 0.04 -1.26 -4.92 135.00 126.09 2j48 s PRO 672 Ca 0.18 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.20 2j48 s PRO 672 Cb -0.07 -2.04 -0.22 0.00 0.04 0.00 0.00 34.50 32.21 2j48 s PRO 672 CO 0.86 -0.81 0.57 -0.89 0.04 0.00 0.00 177.00 176.77 2j48 n ILE 673 N -2.91 0.61 -3.83 0.56 5.41 -1.23 -4.95 119.36 113.02 2j48 n ILE 673 Ca 0.07 -0.61 -0.12 0.00 1.00 0.00 0.00 62.75 63.08 2j48 n ILE 673 Cb 0.54 -0.30 -0.13 0.00 -0.71 0.00 0.00 39.64 39.05 2j48 n ILE 673 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2j48 s VAL 674 N -3.18 0.00 -0.12 1.39 1.01 -1.26 -3.24 120.40 115.00 2j48 s VAL 674 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2j48 s VAL 674 Cb 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.31 2j48 s VAL 674 CO 0.85 -0.00 -0.12 -0.63 0.00 0.00 0.00 175.10 175.20 2j48 s ILE 675 N 0.05 1.36 -0.09 2.22 1.01 -0.67 -2.58 121.20 122.50 2j48 s ILE 675 Ca -0.00 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2j48 s ILE 675 Cb -0.01 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2j48 s ILE 675 CO 0.00 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.46 2j48 s LEU 676 N 1.39 2.65 -0.00 2.97 1.02 0.07 -2.24 118.68 124.54 2j48 s LEU 676 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2j48 s LEU 676 Cb -0.13 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.51 2j48 s LEU 676 CO -0.07 0.24 -0.01 -0.04 0.02 0.00 0.00 176.35 176.48 2j48 s MET 677 N -0.07 0.12 0.47 1.70 -1.94 -0.87 -2.03 119.30 116.68 2j48 s MET 677 Ca -0.03 -0.04 -0.23 0.00 -1.71 0.00 0.00 55.69 53.69 2j48 s MET 677 Cb -0.14 -0.14 -0.07 0.00 2.01 0.00 0.00 34.83 36.49 2j48 s MET 677 CO 0.04 0.02 1.20 0.00 -0.01 0.00 0.00 175.02 176.26 2j48 s ALA 678 N 0.06 2.97 -0.02 3.03 0.00 -0.59 -2.48 121.76 124.73 2j48 s ALA 678 Ca -0.00 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2j48 s ALA 678 Cb -0.02 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.74 2j48 s ALA 678 CO -0.00 -0.77 0.85 1.87 0.00 0.00 0.00 175.76 177.71 2j48 n TRP 679 N -0.52 0.00 -0.26 0.00 -0.00 0.23 -4.83 117.44 112.05 2j48 n TRP 679 Ca 0.07 -0.28 0.06 0.00 -0.00 0.00 0.00 57.50 57.36 2j48 n TRP 679 Cb 0.47 -0.05 0.20 0.00 -0.00 0.00 0.00 31.31 31.94 2j48 n TRP 679 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2j48 h PRO 680 N 0.00 0.42 -7.07 5.87 0.11 -1.86 -3.36 132.00 126.12 2j48 h PRO 680 Ca 0.00 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.61 2j48 h PRO 680 Cb 0.99 -0.10 0.05 0.00 0.11 0.00 0.00 31.00 32.06 2j48 h PRO 680 CO 0.00 0.28 0.15 -1.25 -0.21 0.00 0.00 178.00 176.97 2j48 s PRO 681 N -6.00 2.99 -0.01 1.05 0.04 -1.26 -4.77 135.00 127.04 2j48 s PRO 681 Ca -0.12 -0.02 -0.08 0.00 0.04 0.00 0.00 61.00 60.81 2j48 s PRO 681 Cb 0.21 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2j48 s PRO 681 CO 0.77 -0.62 0.57 -1.00 0.04 0.00 0.00 177.00 176.76 2j48 h PRO 682 N -0.10 -0.29 -7.12 0.56 0.13 -2.01 -3.46 132.00 119.72 2j48 h PRO 682 Ca -0.46 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 2j48 h PRO 682 Cb 1.25 0.07 0.03 0.00 0.13 0.00 0.00 31.00 32.48 2j48 h PRO 682 CO 0.60 -0.19 0.29 0.16 -0.23 0.00 0.00 178.00 178.63 2j48 s ASP 683 N -3.68 6.43 -0.30 1.44 1.47 -1.26 -5.07 116.67 115.71 2j48 s ASP 683 Ca -0.04 1.33 -0.21 0.00 1.18 0.00 0.00 52.55 54.80 2j48 s ASP 683 Cb 0.00 -2.42 0.19 0.00 -0.34 0.00 0.00 42.92 40.36 2j48 s ASP 683 CO 0.13 -0.62 1.33 -1.58 0.68 0.00 0.00 175.17 175.11 2j48 s GLN 684 N -4.43 0.10 0.53 2.11 0.74 -1.26 -5.02 119.66 112.43 2j48 s GLN 684 Ca 0.54 0.14 0.21 0.00 0.05 0.00 0.00 55.36 56.30 2j48 s GLN 684 Cb -0.10 0.04 1.41 0.00 1.10 0.00 0.00 33.01 35.46 2j48 s GLN 684 CO 0.40 -0.02 2.15 0.77 -0.55 0.00 0.00 175.29 178.04 2j48 h SER 685 N 4.06 0.00 0.00 6.67 0.02 -1.98 -1.45 113.55 120.88 2j48 h SER 685 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2j48 h SER 685 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2j48 h SER 685 CO 0.20 0.05 0.25 0.00 -1.14 0.00 0.00 176.83 176.19 2j48 h LEU 687 N 0.00 0.98 -0.61 0.00 3.38 -1.69 -1.47 115.31 115.89 2j48 h LEU 687 Ca 0.00 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 2j48 h LEU 687 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2j48 h LEU 687 CO 0.00 0.94 -0.49 0.17 0.09 0.00 0.00 178.44 179.15 2j48 h LEU 688 N 0.99 0.56 -0.74 1.67 8.10 -0.59 -2.65 115.31 122.65 2j48 h LEU 688 Ca 0.21 -0.28 0.04 0.00 0.11 0.00 0.00 57.88 57.97 2j48 h LEU 688 Cb 0.34 -0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 40.35 2j48 h LEU 688 CO -0.00 0.96 0.45 0.25 -4.11 0.00 0.00 178.44 175.99 2j48 h LEU 689 N 0.41 0.72 -1.19 0.17 5.85 -1.39 -0.12 115.31 119.76 2j48 h LEU 689 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2j48 h LEU 689 Cb 1.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2j48 h LEU 689 CO 0.09 0.48 0.24 -0.07 -0.34 0.00 0.00 178.44 178.85 2j48 h LEU 690 N 0.86 0.73 -0.86 2.25 3.38 -1.05 -1.80 115.31 118.82 2j48 h LEU 690 Ca 0.31 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2j48 h LEU 690 Cb 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2j48 h LEU 690 CO -0.14 0.64 0.53 -0.61 0.09 0.00 0.00 178.44 178.95 2j48 h GLN 691 N 0.80 0.92 -0.10 1.13 4.15 -0.69 -0.88 115.11 120.44 2j48 h GLN 691 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2j48 h GLN 691 Cb 0.13 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2j48 h GLN 691 CO -0.02 0.61 0.07 1.25 -1.93 0.00 0.00 178.83 178.81 2j48 h HIS 692 N 0.95 0.13 -0.98 3.99 2.76 -0.84 -1.86 115.15 119.30 2j48 h HIS 692 Ca 0.38 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.67 2j48 h HIS 692 Cb 0.21 -0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.04 2j48 h HIS 692 CO -0.03 0.08 0.61 -0.07 -1.30 0.00 0.00 177.93 177.22 2j48 h LEU 693 N 0.14 0.90 -1.14 0.26 3.38 -0.94 0.13 115.31 118.04 2j48 h LEU 693 Ca 0.04 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2j48 h LEU 693 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2j48 h LEU 693 CO -0.01 0.49 0.04 0.03 0.09 0.00 0.00 178.44 179.08 2j48 h ARG 694 N 0.98 0.64 -0.25 1.13 3.08 -0.69 1.82 114.38 121.09 2j48 h ARG 694 Ca 0.48 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 60.26 2j48 h ARG 694 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2j48 h ARG 694 CO -0.26 0.63 -0.39 1.49 -1.07 0.00 0.00 179.97 180.37 2j48 h GLU 695 N 0.61 0.57 -0.32 0.04 4.81 -0.02 -3.09 114.58 117.19 2j48 h GLU 695 Ca 0.13 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2j48 h GLU 695 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2j48 h GLU 695 CO 0.01 0.87 0.00 1.58 -0.73 0.00 0.00 179.01 180.74 2j48 n HIS 696 N -4.03 0.41 0.00 0.92 -0.00 -0.22 -4.43 115.22 107.87 2j48 n HIS 696 Ca -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.44 2j48 n HIS 696 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2j48 n HIS 696 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2j48 n GLN 697 N 1.14 0.00 -0.00 1.57 7.27 0.61 -0.27 117.38 127.71 2j48 n GLN 697 Ca 0.16 0.34 0.14 0.00 0.07 0.00 0.00 57.00 57.71 2j48 n GLN 697 Cb 0.51 -1.53 0.78 0.00 2.41 0.00 0.00 30.24 32.42 2j48 n GLN 697 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2j48 n ALA 698 N -1.33 2.65 -1.77 1.69 0.00 -1.26 -4.83 120.51 115.66 2j48 n ALA 698 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 2j48 n ALA 698 Cb 0.03 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 2j48 n ALA 698 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j48 s ASP 699 N -1.90 6.32 0.00 0.00 1.11 0.63 -4.89 116.67 117.95 2j48 s ASP 699 Ca 0.42 2.39 0.07 0.00 0.18 0.00 0.00 52.55 55.61 2j48 s ASP 699 Cb 0.20 -2.61 0.32 0.00 1.07 0.00 0.00 42.92 41.90 2j48 s ASP 699 CO 0.33 -0.82 1.17 -0.81 1.18 0.00 0.00 175.17 176.22 2j48 n PRO 700 N -0.16 0.04 -3.31 8.23 -0.04 -1.26 -3.52 135.00 134.98 2j48 n PRO 700 Ca 0.05 0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 63.57 2j48 n PRO 700 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2j48 n PRO 700 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2j48 n HIS 701 N -1.41 2.34 -1.37 0.54 8.25 -1.26 -5.07 115.22 117.23 2j48 n HIS 701 Ca 0.02 -3.95 -0.52 0.00 -0.26 0.00 0.00 57.72 53.01 2j48 n HIS 701 Cb 0.07 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.59 2j48 n HIS 701 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2j48 n PRO 702 N 0.92 0.44 -1.79 -0.41 -0.02 -1.23 -4.86 135.00 128.06 2j48 n PRO 702 Ca 0.27 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2j48 n PRO 702 Cb 0.45 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 2j48 n PRO 702 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2j48 s PRO 703 N 6.68 4.12 0.26 0.52 0.02 -1.26 -4.98 135.00 140.36 2j48 s PRO 703 Ca 1.18 2.57 -0.27 0.00 0.02 0.00 0.00 61.00 64.50 2j48 s PRO 703 Cb -1.16 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 30.25 2j48 s PRO 703 CO 0.55 -0.61 0.91 -0.51 -0.33 0.00 0.00 177.00 177.00 2j48 s LEU 704 N -0.74 4.51 -0.03 -5.54 1.02 -1.20 -4.92 118.68 111.78 2j48 s LEU 704 Ca 0.62 1.84 0.03 0.00 0.02 0.00 0.00 54.13 56.63 2j48 s LEU 704 Cb -0.47 -3.72 -0.00 0.00 0.02 0.00 0.00 46.19 42.02 2j48 s LEU 704 CO 0.50 0.07 -0.11 0.54 0.02 0.00 0.00 176.35 177.37 2j48 s VAL 705 N -1.36 0.96 -0.08 -1.59 0.11 -1.26 -1.66 120.40 115.51 2j48 s VAL 705 Ca 0.44 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2j48 s VAL 705 Cb -0.22 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 2j48 s VAL 705 CO 0.28 0.29 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.90 2j48 s LEU 706 N 0.09 2.25 -0.15 2.54 2.96 -0.95 -0.34 118.68 125.08 2j48 s LEU 706 Ca -0.02 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2j48 s LEU 706 Cb -0.09 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2j48 s LEU 706 CO 0.01 0.21 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.83 2j48 s PHE 707 N 0.04 2.98 0.01 5.38 0.08 -0.92 -2.06 117.98 123.50 2j48 s PHE 707 Ca -0.08 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 2j48 s PHE 707 Cb -0.15 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 2j48 s PHE 707 CO 0.05 -0.05 0.20 -0.51 -0.10 0.00 0.00 175.22 174.81 2j48 s LEU 708 N 0.31 4.37 0.00 -0.37 1.43 -1.03 -1.60 118.68 121.78 2j48 s LEU 708 Ca -0.05 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2j48 s LEU 708 Cb -0.14 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2j48 s LEU 708 CO 0.03 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2j48 n GLY 709 N 0.78 0.98 3.93 -3.19 0.00 -1.18 0.74 105.19 107.25 2j48 n GLY 709 Ca -0.09 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 2j48 n GLY 709 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j48 s GLU 710 N 0.00 3.19 0.46 1.61 -1.05 -1.26 -4.06 118.70 117.59 2j48 s GLU 710 Ca 0.00 -0.11 -0.19 0.00 -0.15 0.00 0.00 54.97 54.52 2j48 s GLU 710 Cb 0.00 -2.41 -0.10 0.00 -0.44 0.00 0.00 34.13 31.18 2j48 s GLU 710 CO 0.00 -0.37 0.96 -1.25 0.95 0.00 0.00 175.26 175.55 2j48 s PRO 711 N -4.74 4.10 1.00 -4.83 0.04 -1.26 -4.75 135.00 124.56 2j48 s PRO 711 Ca 0.49 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 2j48 s PRO 711 Cb -0.10 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2j48 s PRO 711 CO 0.42 -0.13 -0.71 -2.30 0.04 0.00 0.00 177.00 174.33 2j48 n PRO 712 N -1.04 -0.79 -0.02 0.56 -0.02 -1.26 -4.83 135.00 127.59 2j48 n PRO 712 Ca 0.07 -0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2j48 n PRO 712 Cb 0.54 -1.28 0.54 0.00 -0.02 0.00 0.00 33.50 33.28 2j48 n PRO 712 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2j48 n VAL 713 N -3.87 0.06 -3.51 -1.45 0.31 -1.26 -4.85 118.33 103.77 2j48 n VAL 713 Ca -0.00 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.05 2j48 n VAL 713 Cb 0.60 -0.06 -0.05 0.00 -0.91 0.00 0.00 33.84 33.43 2j48 n VAL 713 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2j48 s ASP 714 N -1.65 -0.58 0.00 4.52 1.11 -1.26 -5.02 116.67 113.79 2j48 s ASP 714 Ca 0.32 0.48 0.14 0.00 0.18 0.00 0.00 52.55 53.67 2j48 s ASP 714 Cb 0.16 0.51 0.64 0.00 1.07 0.00 0.00 42.92 45.29 2j48 s ASP 714 CO 0.25 -0.65 1.43 -0.81 1.18 0.00 0.00 175.17 176.58 2j48 n PRO 715 N 0.54 0.06 0.04 8.23 -0.04 -1.26 -2.70 135.00 139.86 2j48 n PRO 715 Ca -0.17 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2j48 n PRO 715 Cb 0.59 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 2j48 n PRO 715 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2j48 h LEU 716 N 0.00 0.44 -0.06 1.53 5.85 -1.99 -1.19 115.31 119.89 2j48 h LEU 716 Ca 0.00 -0.20 -0.25 0.00 0.84 0.00 0.00 57.88 58.28 2j48 h LEU 716 Cb 0.21 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.12 2j48 h LEU 716 CO 0.00 0.81 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.78 2j48 h LEU 717 N 0.35 0.54 -0.70 2.25 -0.00 -1.94 -2.64 115.31 113.17 2j48 h LEU 717 Ca 0.03 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.88 57.40 2j48 h LEU 717 Cb 0.88 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.34 2j48 h LEU 717 CO 0.07 1.31 0.32 0.74 -0.00 0.00 0.00 178.44 180.88 2j48 h THR 718 N 0.19 1.23 -0.66 0.22 2.02 -1.59 0.82 112.91 115.15 2j48 h THR 718 Ca -0.11 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 2j48 h THR 718 Cb 1.72 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2j48 h THR 718 CO 0.18 0.28 0.08 0.00 0.37 0.00 0.00 175.52 176.44 2j48 h ALA 719 N 1.15 0.89 0.00 6.16 0.00 -1.23 -2.70 119.26 123.54 2j48 h ALA 719 Ca 0.24 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2j48 h ALA 719 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2j48 h ALA 719 CO -0.03 0.67 -0.69 0.37 0.00 0.00 0.00 179.25 179.57 2j48 h GLN 720 N 1.04 0.00 -7.17 0.00 4.15 -1.06 -3.45 115.11 108.61 2j48 h GLN 720 Ca 0.20 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 59.11 2j48 h GLN 720 Cb 0.47 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.26 2j48 h GLN 720 CO 0.02 0.69 0.39 0.00 -1.93 0.00 0.00 178.83 178.00 2j48 s ALA 721 N -3.25 2.52 0.02 3.38 0.00 0.28 -4.80 121.76 119.92 2j48 s ALA 721 Ca 0.00 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2j48 s ALA 721 Cb 0.11 -3.33 -0.23 0.00 0.00 0.00 0.00 23.12 19.67 2j48 s ALA 721 CO 0.77 -1.16 0.92 0.66 0.00 0.00 0.00 175.76 176.95 2j48 h SER 722 N 0.31 0.10 -3.64 0.00 4.64 -0.95 -3.47 113.55 110.54 2j48 h SER 722 Ca -0.48 -0.15 0.18 0.00 -0.47 0.00 0.00 61.79 60.87 2j48 h SER 722 Cb 1.25 -0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 63.06 2j48 h SER 722 CO 0.55 1.13 0.77 0.00 -0.87 0.00 0.00 176.83 178.41 2j48 s ALA 723 N -2.64 -2.04 -0.06 5.18 0.00 -1.05 -4.96 121.76 116.20 2j48 s ALA 723 Ca -0.04 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.66 2j48 s ALA 723 Cb 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.18 2j48 s ALA 723 CO 0.83 -0.31 -0.06 0.42 0.00 0.00 0.00 175.76 176.65 2j48 s ILE 724 N -1.21 0.66 0.23 0.00 1.01 -1.26 -2.16 121.20 118.47 2j48 s ILE 724 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.59 2j48 s ILE 724 Cb -0.01 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2j48 s ILE 724 CO -0.04 0.26 0.20 -0.76 0.00 0.00 0.00 174.94 174.61 2j48 s LEU 725 N 1.04 3.88 0.00 2.97 1.02 -0.63 -4.97 118.68 121.99 2j48 s LEU 725 Ca -0.09 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 53.88 2j48 s LEU 725 Cb -0.14 -2.42 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2j48 s LEU 725 CO -0.00 -0.02 0.00 -1.54 0.02 0.00 0.00 176.35 174.81 2j48 n SER 726 N -1.01 0.00 -3.65 2.29 3.41 -1.26 -3.11 113.62 110.29 2j48 n SER 726 Ca -0.08 -0.68 -0.29 0.00 -0.26 0.00 0.00 58.87 57.56 2j48 n SER 726 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 2j48 n SER 726 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2j48 s LYS 727 N 0.00 0.95 0.53 4.33 0.00 -1.26 -4.98 119.74 119.31 2j48 s LYS 727 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 55.97 54.19 2j48 s LYS 727 Cb 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 37.83 35.74 2j48 s LYS 727 CO 0.00 -1.13 0.45 -2.30 0.00 0.00 0.00 175.35 172.37 2j48 n PRO 728 N 4.02 0.47 0.00 1.78 -0.02 -1.26 -4.80 135.00 135.18 2j48 n PRO 728 Ca 0.06 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2j48 n PRO 728 Cb 0.37 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2j48 n PRO 728 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2j48 n LEU 729 N 0.89 0.00 -3.05 2.45 4.77 -1.26 -5.06 117.00 115.75 2j48 n LEU 729 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 2j48 n LEU 729 Cb 0.46 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2j48 n LEU 729 CO 0.52 0.00 0.11 0.47 -1.33 0.00 0.00 177.39 177.16 2j48 n ASP 730 N -0.12 -6.54 0.00 -1.43 8.00 -1.26 -4.86 116.55 110.34 2j48 n ASP 730 Ca 0.00 -0.48 0.03 0.00 0.71 0.00 0.00 54.79 55.05 2j48 n ASP 730 Cb 0.00 -4.84 0.15 0.00 -0.02 0.00 0.00 41.12 36.41 2j48 n ASP 730 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2j48 n PRO 731 N -2.69 0.03 0.17 -0.24 -0.04 -1.26 -2.14 135.00 128.83 2j48 n PRO 731 Ca -0.05 0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 2j48 n PRO 731 Cb 0.58 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 2j48 n PRO 731 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2j48 h GLN 732 N 0.00 0.00 -0.41 0.54 1.08 -2.00 -2.74 115.11 111.58 2j48 h GLN 732 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2j48 h GLN 732 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2j48 h GLN 732 CO 0.00 0.46 -0.03 1.25 -0.95 0.00 0.00 178.83 179.55 2j48 h LEU 733 N 0.00 0.74 -0.67 1.46 5.85 -1.79 -2.14 115.31 118.76 2j48 h LEU 733 Ca -0.00 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2j48 h LEU 733 Cb 0.82 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2j48 h LEU 733 CO 0.06 0.89 0.40 0.25 -0.34 0.00 0.00 178.44 179.70 2j48 h LEU 734 N 0.57 0.64 -1.07 2.25 5.85 -1.67 -1.50 115.31 120.38 2j48 h LEU 734 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2j48 h LEU 734 Cb 0.53 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2j48 h LEU 734 CO 0.03 0.43 0.47 0.25 -0.34 0.00 0.00 178.44 179.28 2j48 h LEU 735 N 0.77 0.98 -0.88 2.25 5.85 -1.28 -2.15 115.31 120.86 2j48 h LEU 735 Ca 0.28 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2j48 h LEU 735 Cb 0.08 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2j48 h LEU 735 CO -0.13 0.77 0.56 0.74 -0.34 0.00 0.00 178.44 180.03 2j48 h THR 736 N 1.12 1.08 -0.31 1.05 2.02 -0.61 0.39 112.91 117.66 2j48 h THR 736 Ca 0.29 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2j48 h THR 736 Cb -0.02 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 2j48 h THR 736 CO -0.05 0.19 0.15 0.74 0.37 0.00 0.00 175.52 176.92 2j48 h THR 737 N 1.03 1.15 -0.62 3.16 2.02 -1.00 0.31 112.91 118.97 2j48 h THR 737 Ca 0.37 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 2j48 h THR 737 Cb 0.12 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2j48 h THR 737 CO -0.15 0.15 0.02 -0.07 0.37 0.00 0.00 175.52 175.83 2j48 h LEU 738 N 0.36 1.06 -2.00 2.58 3.38 -1.11 -2.17 115.31 117.42 2j48 h LEU 738 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2j48 h LEU 738 Cb 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2j48 h LEU 738 CO -0.01 1.10 -0.03 -0.61 0.09 0.00 0.00 178.44 178.97 2j48 h GLN 739 N 0.98 0.00 0.00 1.13 4.15 0.07 -3.15 115.11 118.29 2j48 h GLN 739 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2j48 h GLN 739 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2j48 h GLN 739 CO 0.03 0.03 0.10 0.41 -1.93 0.00 0.00 178.83 177.47 2j48 n GLY 740 N -0.43 -0.03 0.00 2.39 0.00 0.07 -1.98 105.19 105.21 2j48 n GLY 740 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2j48 n GLY 740 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j48 n LEU 741 N -0.76 1.41 -3.37 0.99 4.77 -1.19 -5.00 117.00 113.85 2j48 n LEU 741 Ca 0.00 0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.95 2j48 n LEU 741 Cb 0.10 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2j48 n LEU 741 CO 0.00 -0.20 0.02 0.00 -1.33 0.00 0.00 177.39 175.87 2j48 s PRO 743 N -4.76 4.08 0.26 0.00 0.04 -1.26 -5.03 135.00 128.33 2j48 s PRO 743 Ca 0.43 1.14 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 2j48 s PRO 743 Cb -0.09 -3.74 -0.09 0.00 0.04 0.00 0.00 34.50 30.62 2j48 s PRO 743 CO 0.78 -0.89 0.80 -1.25 0.04 0.00 0.00 177.00 176.48 2j48 s PRO 744 N 3.65 4.37 0.00 0.56 0.04 -1.26 -5.30 135.00 137.06 2j48 s PRO 744 Ca 0.47 1.03 0.28 0.00 0.04 0.00 0.00 61.00 62.82 2j48 s PRO 744 Cb -0.13 -2.85 1.10 0.00 0.04 0.00 0.00 34.50 32.66 2j48 s PRO 744 CO 0.15 0.35 1.77 0.09 0.04 0.00 0.00 177.00 179.41