#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmm h MET 644 N 0.00 0.00 0.24 -1.40 0.00 -2.04 -0.36 114.93 111.36 2wmm h MET 644 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.69 2wmm h MET 644 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.60 2wmm h MET 644 CO 0.00 0.00 -0.11 1.49 0.00 0.00 0.00 176.91 178.29 2wmm h GLU 645 N 0.00 -0.30 -0.79 1.72 4.81 -1.99 -2.35 114.58 115.68 2wmm h GLU 645 Ca 0.09 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.53 2wmm h GLU 645 Cb 0.38 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 2wmm h GLU 645 CO -0.00 -0.12 0.17 -0.09 -0.73 0.00 0.00 179.01 178.24 2wmm h ARG 646 N -1.06 0.22 -0.03 1.92 2.43 -1.75 0.23 114.38 116.34 2wmm h ARG 646 Ca -0.03 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 2wmm h ARG 646 Cb 0.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2wmm h ARG 646 CO 0.05 0.15 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.62 2wmm h ASP 647 N 0.23 0.12 -0.02 -3.80 3.45 -1.17 -2.58 116.42 112.64 2wmm h ASP 647 Ca 0.46 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.80 2wmm h ASP 647 Cb 0.84 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.57 2wmm h ASP 647 CO -0.58 0.69 -0.13 -0.08 -1.57 0.00 0.00 179.24 177.56 2wmm h GLU 648 N 0.08 0.31 -0.11 3.56 4.81 -0.40 0.13 114.58 122.95 2wmm h GLU 648 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2wmm h GLU 648 Cb 1.08 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2wmm h GLU 648 CO 0.08 0.45 -0.02 0.28 -0.73 0.00 0.00 179.01 179.08 2wmm h VAL 649 N 0.29 1.28 -0.78 0.32 2.07 -1.11 -0.54 116.25 117.79 2wmm h VAL 649 Ca 0.06 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2wmm h VAL 649 Cb 0.42 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2wmm h VAL 649 CO 0.02 0.26 0.44 1.23 0.02 0.00 0.00 177.57 179.55 2wmm h GLY 650 N -0.10 1.14 0.97 2.17 0.00 -1.05 -0.02 103.07 106.17 2wmm h GLY 650 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2wmm h GLY 650 CO 0.01 0.48 0.22 0.00 0.00 0.00 0.00 176.54 177.25 2wmm h ALA 651 N 1.41 0.59 -0.15 3.60 0.00 -0.56 -0.78 119.26 123.37 2wmm h ALA 651 Ca 0.28 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wmm h ALA 651 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wmm h ALA 651 CO -0.05 0.15 -0.27 1.25 0.00 0.00 0.00 179.25 180.33 2wmm h HIS 652 N 0.60 0.30 -0.19 0.00 6.17 -0.54 -2.15 115.15 119.35 2wmm h HIS 652 Ca 0.16 -0.06 -0.13 0.00 0.71 0.00 0.00 60.37 61.05 2wmm h HIS 652 Cb 0.11 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 2wmm h HIS 652 CO -0.01 0.52 -0.44 -0.22 0.71 0.00 0.00 177.93 178.49 2wmm h LYS 653 N 0.24 0.47 -0.33 5.26 3.64 -0.41 -1.66 116.57 123.79 2wmm h LYS 653 Ca 0.04 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 2wmm h LYS 653 Cb 0.61 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2wmm h LYS 653 CO 0.04 0.83 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.83 2wmm h ASN 654 N 0.38 0.84 -0.62 4.20 2.35 -0.81 -1.64 115.58 120.29 2wmm h ASN 654 Ca 0.03 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2wmm h ASN 654 Cb 0.93 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2wmm h ASN 654 CO 0.08 1.13 0.37 0.00 -1.65 0.00 0.00 177.43 177.36 2wmm h ALA 655 N 0.74 0.79 -0.40 -0.83 0.00 -1.29 -0.54 119.26 117.73 2wmm h ALA 655 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wmm h ALA 655 Cb 0.89 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2wmm h ALA 655 CO 0.08 0.27 0.23 0.28 0.00 0.00 0.00 179.25 180.11 2wmm h VAL 656 N 0.84 1.14 -0.48 0.00 2.07 -1.18 -2.33 116.25 116.31 2wmm h VAL 656 Ca 0.22 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2wmm h VAL 656 Cb -0.01 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2wmm h VAL 656 CO -0.04 0.14 0.24 0.44 0.02 0.00 0.00 177.57 178.37 2wmm h ASP 657 N 0.52 0.35 -0.74 0.57 3.32 -0.85 -1.52 116.42 118.06 2wmm h ASP 657 Ca 0.14 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.32 2wmm h ASP 657 Cb 0.02 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 2wmm h ASP 657 CO -0.03 0.25 0.38 -0.33 -1.72 0.00 0.00 179.24 177.79 2wmm h GLU 658 N 0.48 0.61 -0.45 3.56 5.08 -0.74 0.92 114.58 124.04 2wmm h GLU 658 Ca 0.21 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2wmm h GLU 658 Cb 0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2wmm h GLU 658 CO -0.14 0.40 -0.23 1.49 -1.00 0.00 0.00 179.01 179.52 2wmm h GLU 659 N 0.63 0.93 -0.40 2.33 4.81 -0.92 -1.29 114.58 120.66 2wmm h GLU 659 Ca 0.37 -0.40 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2wmm h GLU 659 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2wmm h GLU 659 CO -0.28 1.06 0.21 0.82 -0.73 0.00 0.00 179.01 180.08 2wmm h ILE 660 N 0.80 0.98 -0.19 2.32 2.04 -0.26 0.27 117.51 123.47 2wmm h ILE 660 Ca 0.10 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2wmm h ILE 660 Cb 0.80 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2wmm h ILE 660 CO 0.07 0.08 0.07 -0.33 0.00 0.00 0.00 178.15 178.04 2wmm h GLU 661 N 0.42 0.16 0.13 2.37 4.39 -0.67 -0.07 114.58 121.31 2wmm h GLU 661 Ca 0.17 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2wmm h GLU 661 Cb 0.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2wmm h GLU 661 CO -0.11 0.11 -0.20 0.00 -1.16 0.00 0.00 179.01 177.65 2wmm h ARG 662 N 0.17 -0.38 0.00 2.33 3.08 -0.67 -2.71 114.38 116.20 2wmm h ARG 662 Ca 0.08 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2wmm h ARG 662 Cb 0.04 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wmm h ARG 662 CO -0.07 -0.25 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.45 2wmm h LEU 663 N -0.39 0.00 -2.02 3.04 4.07 -0.24 -3.09 115.31 116.68 2wmm h LEU 663 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2wmm h LEU 663 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2wmm h LEU 663 CO -0.09 0.05 0.00 -1.20 -1.08 0.00 0.00 178.44 176.12 2wmm n SER 664 N -3.29 2.95 -4.78 -0.43 7.64 -0.06 -4.94 113.62 110.70 2wmm n SER 664 Ca -0.01 -2.02 -0.36 0.00 1.01 0.00 0.00 58.87 57.49 2wmm n SER 664 Cb 0.23 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2wmm n SER 664 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wmm s GLN 665 N -1.31 3.84 0.79 1.43 -1.52 -1.17 -5.01 119.66 116.71 2wmm s GLN 665 Ca 0.36 1.54 -0.11 0.00 -1.95 0.00 0.00 55.36 55.21 2wmm s GLN 665 Cb 0.19 -2.30 0.06 0.00 -0.22 0.00 0.00 33.01 30.75 2wmm s GLN 665 CO 0.24 -0.43 1.09 -2.14 -0.25 0.00 0.00 175.29 173.81 2wmm s PRO 666 N -2.88 2.14 0.00 2.91 0.02 -1.26 -4.95 135.00 130.99 2wmm s PRO 666 Ca 0.64 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2wmm s PRO 666 Cb -0.22 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2wmm s PRO 666 CO 0.27 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.64 2wmm n GLY 667 N -1.20 1.12 3.39 0.52 0.00 -1.26 -4.86 105.19 102.91 2wmm n GLY 667 Ca 0.09 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 2wmm n GLY 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmm n GLY 668 N -1.60 -0.40 3.96 -0.02 0.00 -1.09 -4.94 105.19 101.10 2wmm n GLY 668 Ca 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2wmm n GLY 668 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wmm s SER 669 N -3.30 5.58 0.02 1.61 1.04 -1.26 -4.72 113.70 112.67 2wmm s SER 669 Ca 0.52 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2wmm s SER 669 Cb -0.23 -1.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 2wmm s SER 669 CO 0.66 -0.90 -0.03 -0.70 0.98 0.00 0.00 173.24 173.25 2wmm s GLU 670 N -4.64 0.29 -0.07 4.02 2.12 -1.26 -5.02 118.70 114.15 2wmm s GLU 670 Ca 0.52 -0.53 -0.36 0.00 0.36 0.00 0.00 54.97 54.96 2wmm s GLU 670 Cb -0.10 0.06 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 2wmm s GLU 670 CO 0.38 -0.03 1.74 -3.47 -0.54 0.00 0.00 175.26 173.34 2wmm n ASP 671 N 1.80 2.99 -0.36 -1.70 -0.08 -1.26 -4.83 116.55 113.11 2wmm n ASP 671 Ca -0.22 1.03 0.31 0.00 -1.51 0.00 0.00 54.79 54.40 2wmm n ASP 671 Cb 0.56 -1.32 0.63 0.00 2.34 0.00 0.00 41.12 43.33 2wmm n ASP 671 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2wmm h GLN 672 N 7.72 0.18 0.00 -0.67 4.20 -2.05 -1.17 115.11 123.32 2wmm h GLN 672 Ca -0.47 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2wmm h GLN 672 Cb 1.28 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2wmm h GLN 672 CO 0.92 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 179.20 2wmm h ARG 673 N 0.18 0.00 -0.56 1.46 3.08 -1.96 -3.32 114.38 113.26 2wmm h ARG 673 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 2wmm h ARG 673 Cb 2.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.09 2wmm h ARG 673 CO -0.21 0.00 0.36 -0.07 -1.07 0.00 0.00 179.97 178.98 2wmm h LEU 674 N 0.00 0.65 0.80 3.04 3.38 -1.57 -2.50 115.31 119.10 2wmm h LEU 674 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2wmm h LEU 674 Cb 0.71 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2wmm h LEU 674 CO 0.00 0.48 -0.38 -1.13 0.09 0.00 0.00 178.44 177.50 2wmm h ASN 675 N 0.76 -0.91 -0.47 -0.43 -0.73 -1.76 -0.24 115.58 111.80 2wmm h ASN 675 Ca 0.20 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.45 2wmm h ASN 675 Cb -0.07 0.24 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 2wmm h ASN 675 CO -0.04 -0.63 0.21 0.00 -0.37 0.00 0.00 177.43 176.60 2wmm h ALA 676 N -0.94 0.59 -0.75 1.57 0.00 -1.79 -1.81 119.26 116.14 2wmm h ALA 676 Ca -0.11 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2wmm h ALA 676 Cb 0.83 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2wmm h ALA 676 CO 0.18 -0.16 0.33 -0.07 0.00 0.00 0.00 179.25 179.54 2wmm h LEU 677 N 0.42 0.37 -0.90 0.00 3.38 -1.32 0.54 115.31 117.80 2wmm h LEU 677 Ca 0.21 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2wmm h LEU 677 Cb 0.16 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wmm h LEU 677 CO -0.18 0.17 0.50 0.00 0.09 0.00 0.00 178.44 179.03 2wmm h ALA 678 N 1.50 1.15 -0.36 1.53 0.00 -0.25 -0.04 119.26 122.80 2wmm h ALA 678 Ca 0.39 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2wmm h ALA 678 Cb 0.53 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wmm h ALA 678 CO -0.35 0.65 -0.35 0.93 0.00 0.00 0.00 179.25 180.13 2wmm h GLU 679 N 1.25 0.87 0.00 0.00 5.08 -0.20 0.30 114.58 121.89 2wmm h GLU 679 Ca 0.32 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2wmm h GLU 679 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wmm h GLU 679 CO -0.05 1.10 0.00 0.54 -1.00 0.00 0.00 179.01 179.60 2wmm n ARG 680 N -4.12 0.05 0.00 2.33 1.74 0.17 -2.45 116.66 114.37 2wmm n ARG 680 Ca -0.03 0.13 0.07 0.00 -0.77 0.00 0.00 57.85 57.25 2wmm n ARG 680 Cb 0.52 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 2wmm n ARG 680 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wmm n PHE 681 N -1.47 0.00 -1.64 -1.55 3.01 -0.07 -4.98 117.46 110.77 2wmm n PHE 681 Ca 0.06 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.47 2wmm n PHE 681 Cb 0.23 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.69 2wmm n PHE 681 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wmm n GLY 682 N 1.31 0.44 2.97 1.37 0.00 -0.63 -4.96 105.19 105.69 2wmm n GLY 682 Ca 0.03 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 2wmm n GLY 682 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmm n GLY 683 N -1.67 3.66 3.07 -0.02 0.00 0.97 -4.72 105.19 106.48 2wmm n GLY 683 Ca -0.05 -2.33 -0.24 0.00 0.00 0.00 0.00 46.02 43.41 2wmm n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wmm s VAL 684 N -2.53 1.14 0.39 1.61 1.01 0.49 -4.23 120.40 118.29 2wmm s VAL 684 Ca 0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2wmm s VAL 684 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2wmm s VAL 684 CO 0.01 0.34 1.47 -0.76 0.00 0.00 0.00 175.10 176.16 2wmm s LEU 685 N 0.20 4.29 0.45 3.92 1.43 -1.26 -1.10 118.68 126.60 2wmm s LEU 685 Ca -0.05 3.02 0.14 0.00 -1.03 0.00 0.00 54.13 56.20 2wmm s LEU 685 Cb -0.11 -3.71 1.02 0.00 0.03 0.00 0.00 46.19 43.41 2wmm s LEU 685 CO 0.02 -0.92 2.02 0.25 0.23 0.00 0.00 176.35 177.95 2wmm h LEU 686 N 2.89 0.06 -1.26 1.79 5.85 -1.36 -1.20 115.31 122.08 2wmm h LEU 686 Ca -0.51 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 2wmm h LEU 686 Cb 1.24 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2wmm h LEU 686 CO 0.64 0.18 -0.28 0.77 -0.34 0.00 0.00 178.44 179.41 2wmm h SER 687 N 0.06 0.14 0.31 1.25 4.64 -1.82 -1.03 113.55 117.10 2wmm h SER 687 Ca 0.01 -0.04 -0.29 0.00 -0.47 0.00 0.00 61.79 61.00 2wmm h SER 687 Cb 0.24 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2wmm h SER 687 CO 0.02 0.43 -1.24 -0.08 -0.87 0.00 0.00 176.83 175.08 2wmm h GLU 688 N 0.13 0.49 -0.60 4.77 4.81 -1.62 -3.21 114.58 119.36 2wmm h GLU 688 Ca 0.02 -0.70 -0.03 0.00 -0.13 0.00 0.00 59.36 58.52 2wmm h GLU 688 Cb 0.57 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2wmm h GLU 688 CO 0.04 1.31 0.26 0.82 -0.73 0.00 0.00 179.01 180.71 2wmm h ILE 689 N 0.20 1.22 -0.51 2.32 2.04 -1.07 -2.41 117.51 119.29 2wmm h ILE 689 Ca -0.17 -0.67 -0.34 0.00 1.00 0.00 0.00 64.86 64.68 2wmm h ILE 689 Cb 1.92 0.56 -0.15 0.00 -0.74 0.00 0.00 36.82 38.41 2wmm h ILE 689 CO 0.23 0.27 0.44 -1.22 0.00 0.00 0.00 178.15 177.86 2wmm n TYR 690 N -4.49 1.66 -0.18 1.37 0.53 -0.41 -4.43 117.16 111.20 2wmm n TYR 690 Ca 0.04 -1.95 -0.06 0.00 -1.02 0.00 0.00 57.90 54.90 2wmm n TYR 690 Cb 0.15 -0.95 0.03 0.00 -1.03 0.00 0.00 39.34 37.54 2wmm n TYR 690 CO 0.00 0.00 0.00 0.22 -1.02 0.00 0.00 176.86 176.06 2wmm h ASP 691 N 1.40 0.60 -0.41 7.72 -0.00 -1.43 0.14 116.42 124.43 2wmm h ASP 691 Ca 0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.33 2wmm h ASP 691 Cb 1.03 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.22 2wmm h ASP 691 CO 0.79 0.43 0.00 0.47 -0.00 0.00 0.00 179.24 180.93 2wmm n ASP 692 N -4.73 3.83 -4.69 2.28 8.00 -1.26 -2.13 116.55 117.85 2wmm n ASP 692 Ca 0.03 -2.48 -0.42 0.00 0.71 0.00 0.00 54.79 52.64 2wmm n ASP 692 Cb 0.03 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 2wmm n ASP 692 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wmm s VAL 693 N -1.98 3.21 0.89 2.53 1.01 -1.20 -4.86 120.40 119.99 2wmm s VAL 693 Ca 0.36 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 2wmm s VAL 693 Cb 0.25 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2wmm s VAL 693 CO 0.14 0.00 0.17 -1.54 0.00 0.00 0.00 175.10 173.87 2wmm n SER 694 N 5.46 -2.72 0.27 3.32 3.41 -1.26 -4.12 113.62 117.98 2wmm n SER 694 Ca 0.15 0.38 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 2wmm n SER 694 Cb 0.41 -1.11 0.76 0.00 -0.26 0.00 0.00 64.21 64.01 2wmm n SER 694 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wmm h LEU 695 N -1.09 0.00 -0.14 1.04 4.07 -1.91 -0.55 115.31 116.73 2wmm h LEU 695 Ca -0.44 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.31 2wmm h LEU 695 Cb 1.31 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.06 2wmm h LEU 695 CO 0.34 0.10 -0.75 -0.08 -1.08 0.00 0.00 178.44 176.98 2wmm h GLU 696 N 0.00 0.76 0.00 1.13 4.81 -2.01 -3.35 114.58 115.91 2wmm h GLU 696 Ca -0.00 -0.62 -0.06 0.00 -0.13 0.00 0.00 59.36 58.54 2wmm h GLU 696 Cb 0.31 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2wmm h GLU 696 CO 0.01 1.23 -1.39 -0.25 -0.73 0.00 0.00 179.01 177.89 2wmm n ASP 697 N -3.98 0.63 -0.22 1.04 8.00 -0.98 -4.54 116.55 116.50 2wmm n ASP 697 Ca -0.08 0.25 0.03 0.00 0.71 0.00 0.00 54.79 55.70 2wmm n ASP 697 Cb 0.73 0.73 0.14 0.00 -0.02 0.00 0.00 41.12 42.70 2wmm n ASP 697 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wmm h ALA 698 N 1.81 0.83 0.12 2.24 0.00 -1.25 -0.96 119.26 122.05 2wmm h ALA 698 Ca -0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wmm h ALA 698 Cb 1.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2wmm h ALA 698 CO 0.01 -0.29 -0.06 -1.35 0.00 0.00 0.00 179.25 177.57 2wmm h PRO 699 N 0.31 -0.15 0.04 0.00 0.11 -1.80 -1.66 132.00 128.84 2wmm h PRO 699 Ca 0.36 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.49 2wmm h PRO 699 Cb 0.55 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 2wmm h PRO 699 CO -0.42 0.03 -0.15 -0.92 -0.21 0.00 0.00 178.00 176.33 2wmm h TYR 700 N -0.31 -0.38 -0.44 0.65 3.20 -1.78 -2.20 116.97 115.69 2wmm h TYR 700 Ca -0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2wmm h TYR 700 Cb 0.25 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2wmm h TYR 700 CO -0.02 -0.22 -0.01 0.74 -1.64 0.00 0.00 178.16 177.01 2wmm h PHE 701 N -0.27 0.77 -0.54 -3.82 -1.00 -1.20 0.89 116.94 111.77 2wmm h PHE 701 Ca 0.04 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.62 2wmm h PHE 701 Cb 0.31 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 2wmm h PHE 701 CO -0.19 0.72 -0.03 0.77 -1.61 0.00 0.00 178.31 177.97 2wmm h SER 702 N 0.68 0.96 -0.19 2.17 0.02 -1.21 -2.67 113.55 113.31 2wmm h SER 702 Ca 0.13 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2wmm h SER 702 Cb 0.43 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2wmm h SER 702 CO 0.02 1.05 -0.16 0.00 -1.14 0.00 0.00 176.83 176.60 2wmm h ALA 703 N 0.94 0.28 -0.55 3.77 0.00 -1.17 -3.28 119.26 119.25 2wmm h ALA 703 Ca 0.15 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.84 2wmm h ALA 703 Cb 0.58 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2wmm h ALA 703 CO 0.03 0.18 -0.20 1.25 0.00 0.00 0.00 179.25 180.51 2wmm h LEU 704 N 0.12 -0.71 -1.89 0.00 5.85 -0.71 -1.48 115.31 116.50 2wmm h LEU 704 Ca 0.03 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2wmm h LEU 704 Cb 0.69 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2wmm h LEU 704 CO 0.04 -0.23 0.00 1.88 -0.34 0.00 0.00 178.44 179.79 2wmm h TYR 705 N -0.07 0.00 -0.98 1.25 0.05 -1.54 -3.49 116.97 112.19 2wmm h TYR 705 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2wmm h TYR 705 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2wmm h TYR 705 CO -0.51 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.01 2wmm n GLY 706 N -0.87 0.73 0.32 3.88 0.00 -0.56 -2.69 105.19 106.00 2wmm n GLY 706 Ca -0.01 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.30 2wmm n GLY 706 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wmm h PRO 707 N 0.00 0.00 0.00 1.61 0.13 -1.91 0.28 132.00 132.11 2wmm h PRO 707 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wmm h PRO 707 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wmm h PRO 707 CO 0.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.64 2wmm n SER 708 N -2.85 0.00 0.26 1.44 3.41 -1.09 -2.64 113.62 112.14 2wmm n SER 708 Ca -0.02 0.13 0.16 0.00 -0.26 0.00 0.00 58.87 58.88 2wmm n SER 708 Cb 0.32 -0.31 0.88 0.00 -0.26 0.00 0.00 64.21 64.84 2wmm n SER 708 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2wmm h ARG 709 N 0.00 0.00 -0.69 4.33 0.11 -1.04 0.00 114.38 117.09 2wmm h ARG 709 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wmm h ARG 709 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2wmm h ARG 709 CO 0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2wmm n HIS 710 N -3.83 1.25 -2.10 4.08 8.25 -1.08 -4.15 115.22 117.63 2wmm n HIS 710 Ca -0.01 -0.45 -0.39 0.00 -0.26 0.00 0.00 57.72 56.61 2wmm n HIS 710 Cb 0.18 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 2wmm n HIS 710 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmm s ALA 711 N -2.03 3.18 -0.23 -1.41 0.00 -0.02 -4.67 121.76 116.59 2wmm s ALA 711 Ca 0.35 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 2wmm s ALA 711 Cb 0.26 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2wmm s ALA 711 CO 0.12 -0.78 0.20 0.42 0.00 0.00 0.00 175.76 175.72 2wmm s ILE 712 N -1.32 5.33 -0.18 0.00 1.01 -0.28 -1.10 121.20 124.67 2wmm s ILE 712 Ca 0.58 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 2wmm s ILE 712 Cb -0.36 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2wmm s ILE 712 CO 0.45 0.33 0.20 -0.69 0.00 0.00 0.00 174.94 175.24 2wmm s VAL 713 N 1.05 5.37 0.19 2.92 1.01 -0.26 -1.57 120.40 129.11 2wmm s VAL 713 Ca 0.10 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2wmm s VAL 713 Cb -0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2wmm s VAL 713 CO 0.05 0.42 0.04 -0.69 0.00 0.00 0.00 175.10 174.92 2wmm s VAL 714 N 0.37 0.54 0.06 2.92 1.01 -0.42 -0.38 120.40 124.51 2wmm s VAL 714 Ca 0.12 -1.98 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 2wmm s VAL 714 Cb -0.12 -2.26 -0.18 0.00 0.00 0.00 0.00 36.38 33.83 2wmm s VAL 714 CO 0.01 -0.33 1.56 1.55 0.00 0.00 0.00 175.10 177.89 2wmm h PRO 715 N 2.63 -0.64 -3.63 2.72 0.13 -1.85 -0.94 132.00 130.42 2wmm h PRO 715 Ca -0.37 0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 2wmm h PRO 715 Cb 1.22 0.15 -0.34 0.00 0.13 0.00 0.00 31.00 32.15 2wmm h PRO 715 CO 0.61 -0.40 -0.74 0.34 -0.23 0.00 0.00 178.00 177.59 2wmm s ASP 716 N -4.65 0.35 0.16 1.44 2.15 -1.26 -4.22 116.67 110.63 2wmm s ASP 716 Ca -0.16 -0.00 -0.14 0.00 0.43 0.00 0.00 52.55 52.68 2wmm s ASP 716 Cb 0.04 -0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.53 2wmm s ASP 716 CO 0.61 -0.12 1.73 -0.07 -0.17 0.00 0.00 175.17 177.15 2wmm h LEU 717 N 7.33 0.67 -1.00 -1.34 3.38 -1.93 -3.11 115.31 119.31 2wmm h LEU 717 Ca -0.42 -0.14 0.34 0.00 0.09 0.00 0.00 57.88 57.75 2wmm h LEU 717 Cb 1.13 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.52 2wmm h LEU 717 CO 0.46 0.62 0.25 0.28 0.09 0.00 0.00 178.44 180.14 2wmm h SER 718 N 0.68 -0.13 -0.15 -0.43 0.02 -2.01 0.74 113.55 112.27 2wmm h SER 718 Ca 0.17 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2wmm h SER 718 Cb 0.13 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2wmm h SER 718 CO -0.02 -0.40 0.00 0.00 -1.14 0.00 0.00 176.83 175.27 2wmm n GLN 719 N -5.39 1.71 0.01 3.45 3.00 -1.18 -3.60 117.38 115.39 2wmm n GLN 719 Ca 0.30 -1.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.07 2wmm n GLN 719 Cb 1.00 -1.40 -0.14 0.00 0.00 0.00 0.00 30.24 29.69 2wmm n GLN 719 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2wmm h VAL 720 N 2.20 0.84 -0.83 5.09 2.07 0.43 -3.35 116.25 122.70 2wmm h VAL 720 Ca 0.00 -2.59 0.14 0.00 0.82 0.00 0.00 66.70 65.07 2wmm h VAL 720 Cb 0.48 2.54 -0.14 0.00 -1.52 0.00 0.00 31.29 32.64 2wmm h VAL 720 CO 0.00 0.73 -0.27 0.41 0.02 0.00 0.00 177.57 178.45 2wmm n THR 721 N -3.31 -0.40 -0.33 2.57 -1.04 -1.07 0.21 114.28 110.91 2wmm n THR 721 Ca -0.22 1.92 0.14 0.00 -2.04 0.00 0.00 64.05 63.85 2wmm n THR 721 Cb 1.05 -2.59 0.28 0.00 -1.82 0.00 0.00 70.33 67.25 2wmm n THR 721 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2wmm n GLU 722 N -5.28 -0.08 0.15 -2.82 2.13 -1.26 0.10 120.64 113.59 2wmm n GLU 722 Ca 0.11 1.44 0.12 0.00 0.66 0.00 0.00 57.16 59.49 2wmm n GLU 722 Cb 0.37 -2.29 0.20 0.00 0.27 0.00 0.00 31.44 30.00 2wmm n GLU 722 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wmm h HIS 723 N 0.00 0.00 0.20 4.31 3.86 0.23 -3.35 115.15 120.40 2wmm h HIS 723 Ca 0.58 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.48 2wmm h HIS 723 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 2wmm h HIS 723 CO -0.49 0.00 -1.43 -0.07 0.86 0.00 0.00 177.93 176.80 2wmm h LEU 724 N 0.00 0.67 -8.83 2.43 3.38 0.24 -3.41 115.31 109.79 2wmm h LEU 724 Ca 0.00 -0.92 -0.68 0.00 0.09 0.00 0.00 57.88 56.36 2wmm h LEU 724 Cb 0.90 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2wmm h LEU 724 CO 0.00 1.67 1.21 -0.62 0.09 0.00 0.00 178.44 180.79 2wmm n GLU 725 N -3.79 1.26 -0.73 1.13 1.02 -0.78 0.53 120.64 119.29 2wmm n GLU 725 Ca -0.20 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2wmm n GLU 725 Cb 1.02 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2wmm n GLU 725 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wmm n GLY 726 N 5.53 0.75 3.67 0.62 0.00 -1.26 -5.02 105.19 109.48 2wmm n GLY 726 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 2wmm n GLY 726 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmm s LEU 727 N 0.00 4.23 0.00 0.99 0.20 0.19 -4.85 118.68 119.43 2wmm s LEU 727 Ca 0.00 1.78 0.00 0.00 0.69 0.00 0.00 54.13 56.60 2wmm s LEU 727 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2wmm s LEU 727 CO 0.00 -0.72 0.00 0.35 -0.29 0.00 0.00 176.35 175.69 2wmm n THR 728 N 5.12 0.00 -1.55 3.68 -2.24 -1.26 -4.88 114.28 113.15 2wmm n THR 728 Ca 0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.50 2wmm n THR 728 Cb 0.45 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2wmm n THR 728 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wmm n ASP 729 N -1.68 4.23 -3.83 3.42 2.03 -1.26 -4.80 116.55 114.66 2wmm n ASP 729 Ca 0.00 -2.76 -0.09 0.00 0.52 0.00 0.00 54.79 52.46 2wmm n ASP 729 Cb 0.32 -1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 39.15 2wmm n ASP 729 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wmm s PRO 731 N -3.92 1.98 0.62 0.00 0.04 -1.26 -4.83 135.00 127.63 2wmm s PRO 731 Ca 0.13 1.87 0.31 0.00 0.04 0.00 0.00 61.00 63.34 2wmm s PRO 731 Cb -0.02 -1.80 1.69 0.00 0.04 0.00 0.00 34.50 34.41 2wmm s PRO 731 CO 0.03 -1.98 2.03 1.05 0.04 0.00 0.00 177.00 178.16 2wmm h GLU 732 N -0.36 0.00 -3.85 4.56 4.11 -2.01 -3.34 114.58 113.69 2wmm h GLU 732 Ca -0.48 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.44 2wmm h GLU 732 Cb 1.31 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.18 2wmm h GLU 732 CO 0.49 0.00 -0.78 -0.51 0.07 0.00 0.00 179.01 178.28 2wmm s ASP 733 N -5.14 2.45 -0.14 3.06 1.01 -1.26 -5.12 116.67 111.52 2wmm s ASP 733 Ca -0.04 -0.52 0.01 0.00 0.71 0.00 0.00 52.55 52.71 2wmm s ASP 733 Cb 0.13 -0.68 -0.00 0.00 1.01 0.00 0.00 42.92 43.38 2wmm s ASP 733 CO 0.44 -0.22 -0.16 -0.22 0.21 0.00 0.00 175.17 175.22 2wmm s LEU 734 N 1.80 2.46 -0.13 1.23 2.96 -1.26 -5.11 118.68 120.64 2wmm s LEU 734 Ca 0.02 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 2wmm s LEU 734 Cb -0.15 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2wmm s LEU 734 CO -0.07 0.11 0.09 -0.31 -1.32 0.00 0.00 176.35 174.85 2wmm s TYR 735 N 0.67 3.41 -0.09 5.38 2.02 -1.26 -5.06 117.35 122.41 2wmm s TYR 735 Ca -0.08 0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 2wmm s TYR 735 Cb -0.16 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2wmm s TYR 735 CO 0.02 0.53 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.92 2wmm s LEU 736 N -0.62 1.41 -0.03 -1.29 1.43 -1.26 -1.12 118.68 117.20 2wmm s LEU 736 Ca 0.12 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2wmm s LEU 736 Cb -0.12 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 2wmm s LEU 736 CO 0.02 -0.05 -0.25 -0.63 0.23 0.00 0.00 176.35 175.67 2wmm s ILE 737 N 1.24 2.02 -0.21 -0.59 1.01 -0.61 -4.95 121.20 119.11 2wmm s ILE 737 Ca -0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 2wmm s ILE 737 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2wmm s ILE 737 CO -0.03 0.57 0.38 -0.70 0.00 0.00 0.00 174.94 175.16 2wmm s GLU 738 N -0.50 4.14 0.00 2.79 2.12 -1.26 -1.30 118.70 124.69 2wmm s GLU 738 Ca 0.07 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2wmm s GLU 738 Cb -0.11 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2wmm s GLU 738 CO 0.00 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 2wmm n GLY 739 N 4.05 -1.24 3.22 -1.50 0.00 -0.36 -4.94 105.19 104.43 2wmm n GLY 739 Ca -0.09 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2wmm n GLY 739 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wmm s ASP 740 N -3.12 5.29 0.51 1.61 2.15 -1.26 -3.89 116.67 117.96 2wmm s ASP 740 Ca 0.00 -1.43 0.38 0.00 0.43 0.00 0.00 52.55 51.93 2wmm s ASP 740 Cb 0.00 -1.86 1.55 0.00 -0.30 0.00 0.00 42.92 42.31 2wmm s ASP 740 CO 0.00 -0.40 1.67 -0.65 -0.17 0.00 0.00 175.17 175.62 2wmm h PRO 741 N 8.18 0.05 0.00 4.34 0.11 -1.93 0.38 132.00 143.13 2wmm h PRO 741 Ca -0.21 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 2wmm h PRO 741 Cb 1.07 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2wmm h PRO 741 CO 0.64 0.04 -0.94 1.96 -0.21 0.00 0.00 178.00 179.49 2wmm h GLN 742 N 0.06 0.00 -1.53 1.05 1.08 -2.01 -3.39 115.11 110.36 2wmm h GLN 742 Ca 0.77 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 57.50 2wmm h GLN 742 Cb 2.82 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 29.92 2wmm h GLN 742 CO -0.15 0.13 -0.97 0.45 -0.95 0.00 0.00 178.83 177.34 2wmm n SER 743 N -2.85 -0.44 -4.79 1.46 2.88 0.10 -5.12 113.62 104.86 2wmm n SER 743 Ca -0.02 -2.89 -0.39 0.00 -1.33 0.00 0.00 58.87 54.24 2wmm n SER 743 Cb 0.65 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 2wmm n SER 743 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wmm s PHE 744 N -0.92 3.80 -0.23 0.66 2.19 0.53 -4.19 117.98 119.82 2wmm s PHE 744 Ca 0.35 1.35 -0.08 0.00 0.33 0.00 0.00 56.93 58.88 2wmm s PHE 744 Cb 0.21 -2.60 -0.03 0.00 -1.31 0.00 0.00 43.02 39.29 2wmm s PHE 744 CO -0.13 0.51 0.08 -0.51 1.83 0.00 0.00 175.22 176.99 2wmm s ASP 745 N -0.86 5.34 0.34 6.13 1.11 -1.26 -5.02 116.67 122.44 2wmm s ASP 745 Ca 0.31 -0.11 -0.27 0.00 0.18 0.00 0.00 52.55 52.67 2wmm s ASP 745 Cb -0.20 -1.95 -0.13 0.00 1.07 0.00 0.00 42.92 41.71 2wmm s ASP 745 CO 0.20 0.03 1.09 0.47 1.18 0.00 0.00 175.17 178.14 2wmm n ASP 746 N 4.50 1.70 -4.74 0.27 8.00 -1.26 -4.94 116.55 120.07 2wmm n ASP 746 Ca -0.16 1.15 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 2wmm n ASP 746 Cb 0.52 -1.36 0.07 0.00 -0.02 0.00 0.00 41.12 40.33 2wmm n ASP 746 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2wmm s SER 747 N -0.53 4.60 -0.16 -2.24 0.01 -1.26 -4.99 113.70 109.13 2wmm s SER 747 Ca 0.59 2.16 -0.06 0.00 1.31 0.00 0.00 55.95 59.95 2wmm s SER 747 Cb -0.63 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.00 2wmm s SER 747 CO 0.60 -1.98 0.03 0.54 0.41 0.00 0.00 173.24 172.84 2wmm s VAL 748 N -2.21 4.56 0.12 3.43 0.11 -1.26 -5.10 120.40 120.04 2wmm s VAL 748 Ca 0.70 -0.13 0.10 0.00 -2.93 0.00 0.00 61.98 59.73 2wmm s VAL 748 Cb -0.24 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 2wmm s VAL 748 CO 0.44 0.50 -0.26 -0.36 -3.33 0.00 0.00 175.10 172.09 2wmm s PHE 749 N 0.08 2.24 -0.53 1.54 0.08 -1.26 -5.08 117.98 115.05 2wmm s PHE 749 Ca 0.04 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.49 2wmm s PHE 749 Cb -0.13 -1.23 0.06 0.00 -0.57 0.00 0.00 43.02 41.15 2wmm s PHE 749 CO 0.01 0.30 0.74 0.45 -0.10 0.00 0.00 175.22 176.62 2wmm s SER 750 N -1.94 6.25 0.09 1.36 0.15 -1.26 -5.01 113.70 113.34 2wmm s SER 750 Ca 0.13 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 56.04 2wmm s SER 750 Cb -0.10 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2wmm s SER 750 CO 0.05 -1.03 -0.09 -0.69 1.20 0.00 0.00 173.24 172.68 2wmm s VAL 751 N 3.10 0.84 0.00 4.45 1.01 -1.26 -1.63 120.40 126.92 2wmm s VAL 751 Ca 0.20 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 60.51 2wmm s VAL 751 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2wmm s VAL 751 CO 0.14 -0.64 -0.08 -1.81 0.00 0.00 0.00 175.10 172.71 2wmm s ASP 752 N -2.57 0.88 0.13 3.32 1.01 -0.95 -4.99 116.67 113.50 2wmm s ASP 752 Ca 0.06 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.15 2wmm s ASP 752 Cb -0.01 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 2wmm s ASP 752 CO -0.01 0.05 0.26 -1.61 0.21 0.00 0.00 175.17 174.07 2wmm s GLU 753 N -0.39 3.41 0.00 8.23 2.02 -1.26 -0.95 118.70 129.75 2wmm s GLU 753 Ca 0.01 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2wmm s GLU 753 Cb -0.04 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.23 2wmm s GLU 753 CO -0.00 0.54 0.00 1.28 0.02 0.00 0.00 175.26 177.09 2wmm n LEU 754 N -0.39 0.00 -4.55 1.80 4.77 -0.85 -4.94 117.00 112.84 2wmm n LEU 754 Ca -0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.53 2wmm n LEU 754 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2wmm n LEU 754 CO 0.49 0.00 1.55 -0.70 -1.33 0.00 0.00 177.39 177.40 2wmm s GLU 755 N -0.30 2.68 -1.32 3.23 2.12 -1.26 -3.59 118.70 120.26 2wmm s GLU 755 Ca 0.00 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 2wmm s GLU 755 Cb 0.00 -4.42 0.00 0.00 0.26 0.00 0.00 34.13 29.97 2wmm s GLU 755 CO 0.00 -2.72 0.50 1.63 -0.54 0.00 0.00 175.26 174.13 2wmm n LYS 756 N 9.18 -1.96 -3.73 4.30 5.02 -1.26 -4.91 118.16 124.81 2wmm n LYS 756 Ca 0.20 0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 56.77 2wmm n LYS 756 Cb 0.51 -3.98 -0.02 0.00 -0.02 0.00 0.00 35.03 31.53 2wmm n LYS 756 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wmm s ALA 757 N -3.82 -1.60 0.06 7.82 0.00 -1.24 -1.36 121.76 121.62 2wmm s ALA 757 Ca 0.20 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.34 2wmm s ALA 757 Cb -0.09 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2wmm s ALA 757 CO 0.91 -0.99 -0.05 0.54 0.00 0.00 0.00 175.76 176.17 2wmm s VAL 758 N -3.39 0.43 -0.27 0.00 0.11 0.00 -2.01 120.40 115.28 2wmm s VAL 758 Ca 0.11 -1.47 -0.02 0.00 -2.93 0.00 0.00 61.98 57.67 2wmm s VAL 758 Cb -0.02 -1.07 0.09 0.00 -1.53 0.00 0.00 36.38 33.84 2wmm s VAL 758 CO 0.01 -0.69 0.08 -0.69 -3.33 0.00 0.00 175.10 170.48 2wmm s VAL 759 N -2.64 0.59 -0.14 2.04 1.01 -0.13 -1.57 120.40 119.55 2wmm s VAL 759 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2wmm s VAL 759 Cb -0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2wmm s VAL 759 CO -0.04 -0.52 0.22 -0.69 0.00 0.00 0.00 175.10 174.07 2wmm s VAL 760 N 1.79 5.36 -0.53 2.92 1.01 -0.15 -2.25 120.40 128.55 2wmm s VAL 760 Ca 0.06 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 2wmm s VAL 760 Cb -0.17 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2wmm s VAL 760 CO -0.21 0.49 0.91 -0.75 0.00 0.00 0.00 175.10 175.54 2wmm s LYS 761 N -0.15 3.36 0.05 2.72 2.20 -0.64 -0.80 119.74 126.47 2wmm s LYS 761 Ca 0.15 -0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.37 2wmm s LYS 761 Cb -0.13 -4.03 -0.21 0.00 -1.51 0.00 0.00 37.83 31.96 2wmm s LYS 761 CO 0.03 -1.41 1.18 0.82 -0.36 0.00 0.00 175.35 175.62 2wmm h ILE 762 N 6.02 1.35 -2.96 5.43 1.08 -1.35 -3.42 117.51 123.65 2wmm h ILE 762 Ca -0.26 -2.05 -0.01 0.00 -0.39 0.00 0.00 64.86 62.15 2wmm h ILE 762 Cb 1.08 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 2wmm h ILE 762 CO 1.06 0.62 0.30 0.00 -0.69 0.00 0.00 178.15 179.45 2wmm s ALA 763 N -3.43 -0.78 0.16 1.87 0.00 -1.17 -5.05 121.76 113.37 2wmm s ALA 763 Ca -0.12 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 2wmm s ALA 763 Cb 0.06 0.67 -0.11 0.00 0.00 0.00 0.00 23.12 23.73 2wmm s ALA 763 CO 0.86 -0.99 1.80 -0.25 0.00 0.00 0.00 175.76 177.18 2wmm n ASP 764 N -1.48 4.05 -3.67 0.00 8.00 -1.26 -1.72 116.55 120.47 2wmm n ASP 764 Ca -0.08 1.02 -0.25 0.00 0.71 0.00 0.00 54.79 56.19 2wmm n ASP 764 Cb 0.60 -1.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.20 2wmm n ASP 764 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wmm n ARG 765 N 4.99 -6.99 -3.36 -1.24 3.00 -1.26 -4.99 116.66 106.81 2wmm n ARG 765 Ca 0.17 0.76 -0.11 0.00 -0.01 0.00 0.00 57.85 58.66 2wmm n ARG 765 Cb 0.37 -5.74 -0.08 0.00 0.00 0.00 0.00 32.46 27.01 2wmm n ARG 765 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2wmm s GLN 766 N -6.27 0.34 0.22 5.56 2.00 -0.70 -5.11 119.66 115.70 2wmm s GLN 766 Ca 0.51 0.37 0.08 0.00 -2.00 0.00 0.00 55.36 54.32 2wmm s GLN 766 Cb -0.23 -0.54 -0.04 0.00 0.80 0.00 0.00 33.01 33.00 2wmm s GLN 766 CO 0.76 -0.75 0.02 -1.58 -0.50 0.00 0.00 175.29 173.24 2wmm s TRP 767 N 2.51 2.80 -0.13 1.67 0.51 -1.26 -0.90 118.94 124.14 2wmm s TRP 767 Ca 0.11 -0.17 -0.00 0.00 -2.12 0.00 0.00 56.10 53.91 2wmm s TRP 767 Cb -0.15 -1.30 0.03 0.00 -0.81 0.00 0.00 33.47 31.24 2wmm s TRP 767 CO -0.19 0.56 -0.07 0.50 -0.51 0.00 0.00 176.95 177.24 2wmm s ARG 768 N -3.36 1.52 -0.35 4.98 3.52 0.02 -4.88 118.95 120.40 2wmm s ARG 768 Ca 0.30 -0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2wmm s ARG 768 Cb -0.08 -1.69 -0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2wmm s ARG 768 CO 0.20 -0.30 0.22 -0.47 -0.81 0.00 0.00 175.30 174.13 2wmm s TYR 769 N 1.69 3.22 -0.31 5.12 5.04 -1.26 -0.98 117.35 129.87 2wmm s TYR 769 Ca 0.04 -0.47 0.03 0.00 -2.44 0.00 0.00 57.07 54.22 2wmm s TYR 769 Cb -0.13 -2.45 0.09 0.00 0.35 0.00 0.00 41.96 39.81 2wmm s TYR 769 CO -0.08 -0.46 0.01 -1.12 -1.34 0.00 0.00 175.55 172.56 2wmm s SER 770 N 1.66 4.49 0.66 4.32 0.01 -0.61 -4.96 113.70 119.27 2wmm s SER 770 Ca 0.05 -1.82 -0.13 0.00 1.31 0.00 0.00 55.95 55.36 2wmm s SER 770 Cb -0.18 -1.45 -0.00 0.00 0.21 0.00 0.00 66.02 64.60 2wmm s SER 770 CO 0.09 -0.33 1.08 0.00 0.41 0.00 0.00 173.24 174.48 2wmm s ARG 771 N 1.10 2.93 0.18 12.44 1.70 -1.26 -0.81 118.95 135.23 2wmm s ARG 771 Ca 0.05 1.18 -0.31 0.00 -0.47 0.00 0.00 55.73 56.18 2wmm s ARG 771 Cb -0.19 -1.98 -0.09 0.00 -0.57 0.00 0.00 34.95 32.12 2wmm s ARG 771 CO -0.10 -1.12 1.42 -0.06 -1.08 0.00 0.00 175.30 174.36 2wmm s PHE 772 N -2.65 3.15 0.41 5.89 2.99 -0.47 -4.74 117.98 122.57 2wmm s PHE 772 Ca 0.63 0.97 -0.22 0.00 0.00 0.00 0.00 56.93 58.30 2wmm s PHE 772 Cb -0.17 -3.75 -0.10 0.00 0.00 0.00 0.00 43.02 39.00 2wmm s PHE 772 CO 0.45 -2.55 0.97 -1.25 -0.00 0.00 0.00 175.22 172.84 2wmm s PRO 773 N 0.41 4.25 0.26 0.24 0.04 -1.26 -4.95 135.00 134.00 2wmm s PRO 773 Ca 0.62 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 2wmm s PRO 773 Cb -0.40 -2.36 0.35 0.00 0.04 0.00 0.00 34.50 32.14 2wmm s PRO 773 CO 0.36 -0.02 1.76 0.93 0.04 0.00 0.00 177.00 180.07 2wmm h GLU 774 N 2.23 0.74 -3.09 4.56 5.08 -1.99 -3.34 114.58 118.78 2wmm h GLU 774 Ca -0.48 -0.21 -0.62 0.00 -1.00 0.00 0.00 59.36 57.05 2wmm h GLU 774 Cb 1.19 -0.08 -0.40 0.00 0.50 0.00 0.00 28.75 29.96 2wmm h GLU 774 CO 0.62 0.78 -0.70 0.08 -1.00 0.00 0.00 179.01 178.79 2wmm s VAL 775 N -4.91 1.84 0.66 3.13 1.01 -1.26 -5.02 120.40 115.84 2wmm s VAL 775 Ca -0.09 -2.94 -0.17 0.00 0.00 0.00 0.00 61.98 58.78 2wmm s VAL 775 Cb 0.14 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2wmm s VAL 775 CO 0.81 -0.89 1.18 -0.81 0.00 0.00 0.00 175.10 175.38 2wmm n PRO 776 N 3.25 0.93 0.04 2.72 -0.04 -1.26 -2.67 135.00 137.97 2wmm n PRO 776 Ca 0.09 0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2wmm n PRO 776 Cb 0.34 -2.41 0.07 0.00 -0.04 0.00 0.00 33.50 31.46 2wmm n PRO 776 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wmm h LEU 777 N 0.32 0.49-10.40 1.53 5.85 -1.85 -3.43 115.31 107.82 2wmm h LEU 777 Ca -0.50 -0.28 -0.48 0.00 0.84 0.00 0.00 57.88 57.46 2wmm h LEU 777 Cb 1.34 -0.14 0.05 0.00 0.37 0.00 0.00 40.66 42.29 2wmm h LEU 777 CO 0.51 0.98 0.21 -0.36 -0.34 0.00 0.00 178.44 179.44 2wmm s PHE 778 N -3.85 3.36 -0.81 1.25 2.99 -1.26 -4.30 117.98 115.36 2wmm s PHE 778 Ca -0.06 0.77 0.00 0.00 0.00 0.00 0.00 56.93 57.64 2wmm s PHE 778 Cb 0.11 -2.68 0.00 0.00 0.00 0.00 0.00 43.02 40.45 2wmm s PHE 778 CO 0.83 -0.74 0.00 0.41 -0.00 0.00 0.00 175.22 175.72 2wmm n GLY 779 N -2.57 0.95 0.23 4.36 0.00 0.48 -4.84 105.19 103.80 2wmm n GLY 779 Ca 0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 2wmm n GLY 779 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmm h ARG 780 N 0.09 0.49 -0.24 1.61 2.43 -1.74 0.57 114.38 117.59 2wmm h ARG 780 Ca -0.16 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 2wmm h ARG 780 Cb 0.56 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2wmm h ARG 780 CO 0.23 0.32 0.12 0.00 -1.51 0.00 0.00 179.97 179.14 2wmm h ALA 781 N 1.34 0.32 -0.96 2.80 0.00 -1.76 -0.91 119.26 120.08 2wmm h ALA 781 Ca 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wmm h ALA 781 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2wmm h ALA 781 CO -0.21 -0.14 0.59 0.00 0.00 0.00 0.00 179.25 179.49 2wmm h ALA 782 N 0.99 1.22 -0.45 0.00 0.00 -1.31 -1.36 119.26 118.36 2wmm h ALA 782 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wmm h ALA 782 Cb 0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2wmm h ALA 782 CO -0.01 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.12 2wmm h ARG 783 N 1.32 0.64 0.02 0.00 3.08 -0.52 -1.46 114.38 117.46 2wmm h ARG 783 Ca 0.35 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2wmm h ARG 783 Cb -0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2wmm h ARG 783 CO -0.07 0.53 -0.02 0.93 -1.07 0.00 0.00 179.97 180.27 2wmm h GLU 784 N 0.58 -0.05 -0.48 0.04 5.08 -0.73 0.30 114.58 119.32 2wmm h GLU 784 Ca 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2wmm h GLU 784 Cb 0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2wmm h GLU 784 CO -0.02 -0.03 0.28 0.77 -1.00 0.00 0.00 179.01 179.00 2wmm h SER 785 N -0.05 0.44 -0.22 1.42 0.02 -1.16 -1.44 113.55 112.56 2wmm h SER 785 Ca 0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2wmm h SER 785 Cb 0.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2wmm h SER 785 CO -0.00 0.31 0.04 -0.09 -1.14 0.00 0.00 176.83 175.95 2wmm h ARG 786 N 0.55 0.13 -0.49 3.45 9.65 -1.04 0.54 114.38 127.16 2wmm h ARG 786 Ca 0.20 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 2wmm h ARG 786 Cb 0.04 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 2wmm h ARG 786 CO -0.10 0.08 0.18 0.82 2.80 0.00 0.00 179.97 183.75 2wmm h ILE 787 N 0.13 0.85 -0.45 1.20 2.04 -0.44 0.12 117.51 120.96 2wmm h ILE 787 Ca 0.10 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2wmm h ILE 787 Cb 0.09 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2wmm h ILE 787 CO -0.13 0.07 0.07 -0.33 0.00 0.00 0.00 178.15 177.83 2wmm h GLU 788 N 0.36 0.74 -0.09 2.37 5.08 -0.89 -0.27 114.58 121.88 2wmm h GLU 788 Ca 0.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wmm h GLU 788 Cb 0.23 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wmm h GLU 788 CO -0.23 0.76 0.04 1.03 -1.00 0.00 0.00 179.01 179.62 2wmm h SER 789 N 0.60 0.12 -0.75 1.42 0.87 -0.48 -0.55 113.55 114.78 2wmm h SER 789 Ca 0.14 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2wmm h SER 789 Cb 0.38 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 2wmm h SER 789 CO 0.01 0.20 0.50 -0.07 -0.53 0.00 0.00 176.83 176.93 2wmm h LEU 790 N 0.02 0.71 -0.40 2.23 3.38 -0.67 -1.08 115.31 119.50 2wmm h LEU 790 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2wmm h LEU 790 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2wmm h LEU 790 CO -0.00 0.46 0.04 -0.74 0.09 0.00 0.00 178.44 178.29 2wmm h HIS 791 N 0.81 0.72 -0.89 1.13 2.76 -0.50 -0.06 115.15 119.13 2wmm h HIS 791 Ca 0.32 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2wmm h HIS 791 Cb 0.24 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 2wmm h HIS 791 CO -0.00 0.72 0.59 0.00 -1.30 0.00 0.00 177.93 177.94 2wmm h ALA 792 N 0.91 1.13 -0.38 5.26 0.00 0.01 -1.98 119.26 124.20 2wmm h ALA 792 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2wmm h ALA 792 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wmm h ALA 792 CO 0.01 0.53 -0.07 1.49 0.00 0.00 0.00 179.25 181.21 2wmm h GLU 793 N 1.20 0.72 -0.45 0.00 4.81 -1.06 -2.45 114.58 117.35 2wmm h GLU 793 Ca 0.33 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 2wmm h GLU 793 Cb -0.14 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.12 2wmm h GLU 793 CO -0.07 0.85 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.97 2wmm h ARG 794 N 0.53 0.10 -0.70 1.92 1.12 -0.68 -0.37 114.38 116.30 2wmm h ARG 794 Ca 0.10 -0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 58.91 2wmm h ARG 794 Cb 0.57 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.48 2wmm h ARG 794 CO 0.03 0.07 0.22 0.93 -3.11 0.00 0.00 179.97 178.11 2wmm h GLU 795 N 0.11 1.09 -0.53 0.20 4.39 -1.25 0.19 114.58 118.78 2wmm h GLU 795 Ca 0.23 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2wmm h GLU 795 Cb 0.33 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2wmm h GLU 795 CO -0.38 0.94 0.17 0.28 -1.16 0.00 0.00 179.01 178.87 2wmm h VAL 796 N 1.03 1.23 -0.16 3.13 2.07 -0.92 -2.14 116.25 120.50 2wmm h VAL 796 Ca 0.23 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 2wmm h VAL 796 Cb 0.31 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2wmm h VAL 796 CO -0.01 0.29 -0.40 -0.07 0.02 0.00 0.00 177.57 177.40 2wmm h LEU 797 N 0.73 0.37 -0.68 2.57 3.38 -0.77 -1.19 115.31 119.72 2wmm h LEU 797 Ca 0.17 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2wmm h LEU 797 Cb 0.27 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2wmm h LEU 797 CO -0.01 0.73 0.11 -1.28 0.09 0.00 0.00 178.44 178.08 2wmm h SER 798 N 0.30 1.08 -0.26 -0.43 0.87 -0.33 -0.37 113.55 114.40 2wmm h SER 798 Ca 0.03 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.17 2wmm h SER 798 Cb 0.83 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2wmm h SER 798 CO 0.07 1.07 -0.45 -0.33 -0.53 0.00 0.00 176.83 176.65 2wmm h GLU 799 N 1.05 0.77 -0.39 2.24 5.08 -1.21 -1.74 114.58 120.38 2wmm h GLU 799 Ca 0.21 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2wmm h GLU 799 Cb 0.45 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2wmm h GLU 799 CO 0.01 1.11 0.24 -0.09 -1.00 0.00 0.00 179.01 179.28 2wmm h ARG 800 N 0.52 0.52 0.12 2.33 2.43 -1.06 -0.58 114.38 118.66 2wmm h ARG 800 Ca 0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2wmm h ARG 800 Cb 1.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2wmm h ARG 800 CO 0.10 0.38 -0.13 0.35 -1.51 0.00 0.00 179.97 179.17 2wmm h PHE 801 N 0.51 -0.34 -0.68 2.20 3.57 -1.02 -2.19 116.94 119.01 2wmm h PHE 801 Ca 0.14 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2wmm h PHE 801 Cb -0.01 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2wmm h PHE 801 CO -0.04 -0.20 0.45 0.00 -2.23 0.00 0.00 178.31 176.29 2wmm h ALA 802 N 0.57 1.77 0.00 2.41 0.00 -1.08 0.81 119.26 123.75 2wmm h ALA 802 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wmm h ALA 802 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wmm h ALA 802 CO -0.04 0.12 0.00 2.41 0.00 0.00 0.00 179.25 181.73 2wmm n THR 803 N -4.48 0.98 -0.93 0.00 -1.04 -0.25 -5.10 114.28 103.47 2wmm n THR 803 Ca 0.10 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 2wmm n THR 803 Cb 0.25 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2wmm n THR 803 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32