#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pax s SER 663 N 0.00 7.03 0.09 4.39 0.15 -1.26 -4.47 113.70 119.63 1pax s SER 663 Ca 0.00 2.30 0.24 0.00 0.70 0.00 0.00 55.95 59.18 1pax s SER 663 Cb 0.00 -2.61 0.19 0.00 -1.71 0.00 0.00 66.02 61.89 1pax s SER 663 CO 0.00 -0.41 1.17 0.29 1.20 0.00 0.00 173.24 175.49 1pax n LYS 664 N 2.44 0.30 -1.81 5.44 5.02 -1.26 -4.95 118.16 123.34 1pax n LYS 664 Ca 0.04 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 1pax n LYS 664 Cb 0.44 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1pax n LYS 664 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pax s LEU 665 N -4.12 3.50 0.78 -0.35 2.01 -1.26 -4.99 118.68 114.25 1pax s LEU 665 Ca 0.05 2.24 -0.13 0.00 0.01 0.00 0.00 54.13 56.30 1pax s LEU 665 Cb 0.14 -4.58 0.07 0.00 0.01 0.00 0.00 46.19 41.83 1pax s LEU 665 CO 0.76 -1.74 1.17 0.00 1.01 0.00 0.00 176.35 177.55 1pax s ALA 666 N -1.94 1.97 0.14 4.21 0.00 -1.26 -4.81 121.76 120.08 1pax s ALA 666 Ca 0.73 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 1pax s ALA 666 Cb -0.26 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1pax s ALA 666 CO 0.38 -2.08 1.73 -0.22 0.00 0.00 0.00 175.76 175.57 1pax h LYS 667 N -0.84 0.16 -0.90 0.00 3.64 -1.98 -2.56 116.57 114.08 1pax h LYS 667 Ca -0.46 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.04 1pax h LYS 667 Cb 1.28 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 1pax h LYS 667 CO 0.48 0.11 0.58 -1.35 -2.27 0.00 0.00 179.45 176.99 1pax h PRO 668 N 0.16 0.75 -0.10 1.90 0.11 -1.99 -0.69 132.00 132.14 1pax h PRO 668 Ca 0.14 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1pax h PRO 668 Cb 0.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1pax h PRO 668 CO -0.18 0.49 -0.50 0.82 -0.21 0.00 0.00 178.00 178.42 1pax h ILE 669 N 0.77 1.34 0.12 4.15 2.04 -1.85 -1.32 117.51 122.77 1pax h ILE 669 Ca 0.45 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1pax h ILE 669 Cb 0.62 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1pax h ILE 669 CO -0.21 0.52 -0.06 1.56 0.00 0.00 0.00 178.15 179.96 1pax h GLN 670 N 0.21 -0.16 0.00 2.37 4.20 -0.79 -1.44 115.11 119.50 1pax h GLN 670 Ca 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1pax h GLN 670 Cb 0.95 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1pax h GLN 670 CO 0.08 0.15 -0.04 -0.44 -0.67 0.00 0.00 178.83 177.91 1pax h ASP 671 N -0.47 0.00 -0.06 1.46 3.32 -1.13 -1.60 116.42 117.94 1pax h ASP 671 Ca -0.02 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1pax h ASP 671 Cb 0.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1pax h ASP 671 CO 0.03 0.04 -0.43 0.25 -1.72 0.00 0.00 179.24 177.40 1pax h LEU 672 N 0.00 0.48 -0.42 1.55 5.85 -1.08 -2.79 115.31 118.89 1pax h LEU 672 Ca -0.00 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1pax h LEU 672 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1pax h LEU 672 CO 0.01 1.09 0.21 0.40 -0.34 0.00 0.00 178.44 179.80 1pax h ILE 673 N -0.09 1.18 -0.89 4.05 1.08 -0.73 -1.11 117.51 121.00 1pax h ILE 673 Ca -0.04 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1pax h ILE 673 Cb 1.11 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.53 1pax h ILE 673 CO 0.09 0.19 0.58 0.11 -0.69 0.00 0.00 178.15 178.43 1pax h LYS 674 N 0.54 1.12 -0.43 2.37 1.57 -1.41 -1.86 116.57 118.48 1pax h LYS 674 Ca 0.15 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1pax h LYS 674 Cb 0.11 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1pax h LYS 674 CO -0.02 0.74 -0.11 1.98 -0.57 0.00 0.00 179.45 181.48 1pax h MET 675 N 1.16 0.83 0.00 3.15 4.05 -1.18 -2.27 114.93 120.68 1pax h MET 675 Ca 0.34 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1pax h MET 675 Cb -0.06 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1pax h MET 675 CO -0.10 0.95 0.00 -0.84 0.23 0.00 0.00 176.91 177.15 1pax h ILE 676 N 0.66 0.00 -0.59 1.77 3.07 -1.03 -3.15 117.51 118.25 1pax h ILE 676 Ca 0.11 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1pax h ILE 676 Cb 0.64 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1pax h ILE 676 CO 0.04 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.63 1pax n PHE 677 N -2.92 0.84 -1.91 0.16 3.72 -0.71 -4.60 117.46 112.03 1pax n PHE 677 Ca 0.03 -0.52 -0.43 0.00 -0.05 0.00 0.00 57.45 56.49 1pax n PHE 677 Cb 0.44 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1pax n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pax s ASP 678 N -1.01 6.19 0.34 4.37 2.15 -0.86 -4.88 116.67 122.96 1pax s ASP 678 Ca 0.40 1.89 0.05 0.00 0.43 0.00 0.00 52.55 55.32 1pax s ASP 678 Cb 0.22 -2.53 0.60 0.00 -0.30 0.00 0.00 42.92 40.91 1pax s ASP 678 CO 0.26 -1.37 1.85 0.58 -0.17 0.00 0.00 175.17 176.32 1pax h VAL 679 N 6.26 1.21 -0.51 1.11 2.07 -1.93 -2.82 116.25 121.64 1pax h VAL 679 Ca -0.38 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1pax h VAL 679 Cb 1.19 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1pax h VAL 679 CO 0.98 0.29 0.07 -0.08 0.02 0.00 0.00 177.57 178.85 1pax h GLU 680 N 0.42 0.81 -0.37 1.57 4.81 -2.00 -2.21 114.58 117.60 1pax h GLU 680 Ca 0.08 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1pax h GLU 680 Cb 0.42 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1pax h GLU 680 CO 0.02 0.77 -0.21 0.77 -0.73 0.00 0.00 179.01 179.63 1pax h SER 681 N 0.77 0.72 -0.76 1.04 0.02 -1.90 -1.55 113.55 111.89 1pax h SER 681 Ca 0.16 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1pax h SER 681 Cb 0.37 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1pax h SER 681 CO 0.01 0.92 0.47 0.24 -1.14 0.00 0.00 176.83 177.33 1pax h MET 682 N 0.63 1.02 -0.38 3.45 2.86 -1.32 -1.09 114.93 120.11 1pax h MET 682 Ca 0.09 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1pax h MET 682 Cb 0.69 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1pax h MET 682 CO 0.05 0.70 -0.16 0.87 1.06 0.00 0.00 176.91 179.43 1pax h LYS 683 N 1.03 0.78 -0.45 1.72 1.57 -1.25 -2.41 116.57 117.56 1pax h LYS 683 Ca 0.27 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1pax h LYS 683 Cb -0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1pax h LYS 683 CO -0.05 0.95 0.17 -0.22 -0.57 0.00 0.00 179.45 179.73 1pax h LYS 684 N 0.57 0.35 -0.31 3.15 3.64 -0.97 0.25 116.57 123.25 1pax h LYS 684 Ca 0.09 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1pax h LYS 684 Cb 0.70 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 1pax h LYS 684 CO 0.05 0.23 -0.07 0.00 -2.27 0.00 0.00 179.45 177.39 1pax h ALA 685 N 1.28 0.21 -0.63 5.00 0.00 -1.03 -0.62 119.26 123.49 1pax h ALA 685 Ca 0.21 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1pax h ALA 685 Cb 0.19 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pax h ALA 685 CO -0.20 -0.46 0.21 0.52 0.00 0.00 0.00 179.25 179.32 1pax h MET 686 N 0.01 0.94 -0.25 0.00 2.86 -0.96 -2.07 114.93 115.47 1pax h MET 686 Ca 0.15 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1pax h MET 686 Cb 0.22 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1pax h MET 686 CO -0.31 0.80 -0.30 0.28 1.06 0.00 0.00 176.91 178.44 1pax h VAL 687 N 0.92 1.28 -0.07 -2.22 2.07 -0.31 -0.86 116.25 117.05 1pax h VAL 687 Ca 0.21 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 1pax h VAL 687 Cb 0.24 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1pax h VAL 687 CO -0.01 0.43 -0.32 -0.33 0.02 0.00 0.00 177.57 177.36 1pax h GLU 688 N 0.43 0.12 -0.03 1.57 5.08 -0.48 -0.83 114.58 120.45 1pax h GLU 688 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pax h GLU 688 Cb 0.74 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1pax h GLU 688 CO 0.06 0.44 0.00 1.19 -1.00 0.00 0.00 179.01 179.70 1pax n PHE 689 N -4.12 0.03 -1.87 4.33 3.72 -0.87 -4.90 117.46 113.78 1pax n PHE 689 Ca -0.02 -0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 1pax n PHE 689 Cb 0.39 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1pax n PHE 689 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1pax n GLU 690 N -0.54 -0.79 -2.51 -1.08 1.02 -0.32 -5.02 120.64 111.40 1pax n GLU 690 Ca 0.18 0.64 -0.34 0.00 -0.02 0.00 0.00 57.16 57.62 1pax n GLU 690 Cb 0.17 -4.66 -0.03 0.00 -0.02 0.00 0.00 31.44 26.89 1pax n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pax s ILE 691 N -2.47 3.73 -0.64 -3.67 1.09 -0.36 -1.45 121.20 117.43 1pax s ILE 691 Ca 0.00 1.08 -0.23 0.00 -1.10 0.00 0.00 60.65 60.40 1pax s ILE 691 Cb 0.00 -3.43 0.06 0.00 -1.06 0.00 0.00 42.46 38.03 1pax s ILE 691 CO 0.00 -0.23 0.96 -0.62 -0.10 0.00 0.00 174.94 174.95 1pax s ASP 692 N -1.97 6.20 0.44 3.58 -1.08 0.46 -4.42 116.67 119.87 1pax s ASP 692 Ca 0.68 -0.89 0.30 0.00 -0.52 0.00 0.00 52.55 52.12 1pax s ASP 692 Cb -0.17 -2.42 1.27 0.00 -1.46 0.00 0.00 42.92 40.14 1pax s ASP 692 CO 0.21 -1.41 1.90 -0.07 0.52 0.00 0.00 175.17 176.31 1pax h LEU 693 N 11.31 0.00 0.12 -1.34 3.38 -1.88 0.59 115.31 127.50 1pax h LEU 693 Ca -0.28 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.39 1pax h LEU 693 Cb 1.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.85 1pax h LEU 693 CO 1.17 0.00 -1.27 1.56 0.09 0.00 0.00 178.44 179.98 1pax h GLN 694 N 0.00 0.55 0.00 1.13 1.08 -1.98 -3.16 115.11 112.73 1pax h GLN 694 Ca 0.00 -0.78 -0.13 0.00 -1.45 0.00 0.00 58.65 56.29 1pax h GLN 694 Cb 0.42 0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1pax h GLN 694 CO 0.00 1.35 -1.34 1.63 -0.95 0.00 0.00 178.83 179.52 1pax n LYS 695 N -3.74 0.62 -3.64 1.46 4.76 -1.08 -4.63 118.16 111.92 1pax n LYS 695 Ca -0.13 0.20 -0.28 0.00 -2.87 0.00 0.00 58.31 55.23 1pax n LYS 695 Cb 1.01 -1.81 -0.11 0.00 -1.84 0.00 0.00 35.03 32.28 1pax n LYS 695 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1pax s MET 696 N -3.02 1.66 0.78 1.97 -1.94 0.21 -4.96 119.30 113.99 1pax s MET 696 Ca -0.03 -2.70 -0.11 0.00 -1.71 0.00 0.00 55.69 51.14 1pax s MET 696 Cb 0.09 -2.40 0.06 0.00 2.01 0.00 0.00 34.83 34.59 1pax s MET 696 CO 0.81 -1.33 1.09 -1.25 -0.01 0.00 0.00 175.02 174.32 1pax s PRO 697 N -0.66 2.18 0.35 2.03 0.04 -1.19 -4.32 135.00 133.43 1pax s PRO 697 Ca 0.29 0.84 0.13 0.00 0.04 0.00 0.00 61.00 62.30 1pax s PRO 697 Cb -0.01 -1.91 0.97 0.00 0.04 0.00 0.00 34.50 33.59 1pax s PRO 697 CO -0.18 -1.60 1.75 -0.07 0.04 0.00 0.00 177.00 176.94 1pax h LEU 698 N -1.08 0.58 0.00 -3.56 3.38 -1.98 0.31 115.31 112.96 1pax h LEU 698 Ca -0.46 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1pax h LEU 698 Cb 1.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pax h LEU 698 CO 0.56 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.82 1pax n GLY 699 N -1.39 -0.94 0.11 0.83 0.00 -1.26 -3.28 105.19 99.27 1pax n GLY 699 Ca 0.26 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1pax n GLY 699 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pax h LYS 700 N 0.00 0.00 -6.46 1.61 3.64 -1.27 -3.47 116.57 110.62 1pax h LYS 700 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1pax h LYS 700 Cb 0.19 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1pax h LYS 700 CO 0.00 0.18 0.99 1.28 -2.27 0.00 0.00 179.45 179.63 1pax n LEU 701 N -2.82 3.56 -4.08 5.20 4.77 -1.20 -5.01 117.00 117.41 1pax n LEU 701 Ca -0.05 1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1pax n LEU 701 Cb 0.72 -1.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.23 1pax n LEU 701 CO 0.42 -0.05 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.08 1pax s SER 702 N 2.31 0.96 0.21 -1.43 1.04 -1.26 -5.01 113.70 110.51 1pax s SER 702 Ca 0.83 -0.58 -0.10 0.00 0.48 0.00 0.00 55.95 56.58 1pax s SER 702 Cb -0.60 0.03 0.23 0.00 0.10 0.00 0.00 66.02 65.78 1pax s SER 702 CO 0.41 -0.21 1.80 0.11 0.98 0.00 0.00 173.24 176.33 1pax h LYS 703 N 4.39 0.64 -0.49 4.02 1.57 -1.98 -2.42 116.57 122.30 1pax h LYS 703 Ca -0.36 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1pax h LYS 703 Cb 1.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1pax h LYS 703 CO 0.42 0.42 0.26 0.00 -0.57 0.00 0.00 179.45 179.98 1pax h ARG 704 N 0.66 0.50 -0.80 3.15 -0.00 -1.99 -0.33 114.38 115.58 1pax h ARG 704 Ca 0.29 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.79 1pax h ARG 704 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 29.99 1pax h ARG 704 CO -0.18 0.33 0.49 0.37 0.00 0.00 0.00 179.97 180.98 1pax h GLN 705 N 0.52 0.90 -0.22 0.04 4.15 -1.89 -1.75 115.11 116.86 1pax h GLN 705 Ca 0.21 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.42 1pax h GLN 705 Cb 0.09 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1pax h GLN 705 CO -0.13 0.60 -0.49 0.82 -1.93 0.00 0.00 178.83 177.70 1pax h ILE 706 N 0.93 1.31 0.04 2.39 2.04 -0.90 -2.53 117.51 120.80 1pax h ILE 706 Ca 0.33 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1pax h ILE 706 Cb 0.10 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1pax h ILE 706 CO -0.15 0.54 -0.02 1.56 0.00 0.00 0.00 178.15 180.08 1pax h GLN 707 N 0.47 -0.06 -0.87 2.37 4.20 -0.62 -1.72 115.11 118.88 1pax h GLN 707 Ca 0.02 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1pax h GLN 707 Cb 1.02 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 1pax h GLN 707 CO 0.10 -0.00 0.57 0.77 -0.67 0.00 0.00 178.83 179.59 1pax h SER 708 N -0.10 0.93 -0.70 1.46 0.02 -1.32 -2.18 113.55 111.67 1pax h SER 708 Ca -0.01 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1pax h SER 708 Cb 0.08 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1pax h SER 708 CO 0.01 0.64 0.20 0.00 -1.14 0.00 0.00 176.83 176.54 1pax h ALA 709 N 1.49 0.91 -0.42 3.77 0.00 -1.03 -1.87 119.26 122.12 1pax h ALA 709 Ca 0.35 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1pax h ALA 709 Cb 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1pax h ALA 709 CO -0.11 0.61 0.23 1.88 0.00 0.00 0.00 179.25 181.86 1pax h TYR 710 N 1.03 0.42 -0.86 0.00 0.05 -0.71 -1.17 116.97 115.73 1pax h TYR 710 Ca 0.22 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.05 1pax h TYR 710 Cb 0.33 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 1pax h TYR 710 CO 0.03 0.23 0.56 0.77 -1.05 0.00 0.00 178.16 178.70 1pax h SER 711 N 0.46 0.93 -0.63 3.88 0.02 -1.18 0.11 113.55 117.14 1pax h SER 711 Ca 0.17 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1pax h SER 711 Cb 0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1pax h SER 711 CO -0.10 0.65 0.09 0.40 -1.14 0.00 0.00 176.83 176.72 1pax h ILE 712 N 1.09 1.26 -0.25 3.27 2.04 -0.97 -1.01 117.51 122.94 1pax h ILE 712 Ca 0.34 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 1pax h ILE 712 Cb -0.01 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1pax h ILE 712 CO -0.11 0.39 -0.21 -0.07 0.00 0.00 0.00 178.15 178.14 1pax h LEU 713 N 0.97 0.45 -0.18 1.44 3.38 -0.44 -0.83 115.31 120.08 1pax h LEU 713 Ca 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1pax h LEU 713 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1pax h LEU 713 CO 0.02 0.67 -0.07 -1.13 0.09 0.00 0.00 178.44 178.02 1pax h ASN 714 N 0.41 0.38 -0.46 -0.43 -1.24 -0.56 -1.37 115.58 112.31 1pax h ASN 714 Ca 0.07 -0.39 -0.02 0.00 0.71 0.00 0.00 56.30 56.66 1pax h ASN 714 Cb 0.60 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1pax h ASN 714 CO 0.04 0.68 0.21 -0.33 -1.29 0.00 0.00 177.43 176.74 1pax h GLU 715 N 0.07 0.67 -0.21 6.67 5.08 -0.92 -2.29 114.58 123.65 1pax h GLU 715 Ca 0.04 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1pax h GLU 715 Cb 0.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1pax h GLU 715 CO 0.02 0.59 -0.28 -0.24 -1.00 0.00 0.00 179.01 178.10 1pax h VAL 716 N 0.60 1.27 -0.74 3.13 3.04 -1.12 -1.96 116.25 120.46 1pax h VAL 716 Ca 0.16 -1.28 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 1pax h VAL 716 Cb 0.15 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 1pax h VAL 716 CO -0.02 0.40 0.40 -0.61 -1.01 0.00 0.00 177.57 176.73 1pax h GLN 717 N 0.37 1.04 -0.59 4.17 -0.00 -1.12 -1.85 115.11 117.13 1pax h GLN 717 Ca 0.05 -0.13 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 1pax h GLN 717 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.93 1pax h GLN 717 CO 0.05 0.78 0.02 1.96 0.00 0.00 0.00 178.83 181.64 1pax h GLN 718 N 1.03 1.02 -0.20 1.69 1.08 -1.00 -2.41 115.11 116.32 1pax h GLN 718 Ca 0.26 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 1pax h GLN 718 Cb 0.05 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1pax h GLN 718 CO -0.04 1.00 -0.32 0.00 -0.95 0.00 0.00 178.83 178.52 1pax h ALA 719 N 0.98 1.07 -0.04 3.87 0.00 -1.05 -1.34 119.26 122.75 1pax h ALA 719 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1pax h ALA 719 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pax h ALA 719 CO 0.03 0.58 -0.10 0.28 0.00 0.00 0.00 179.25 180.04 1pax h VAL 720 N 0.36 1.45 -0.14 0.00 2.07 -1.26 1.30 116.25 120.04 1pax h VAL 720 Ca 0.04 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1pax h VAL 720 Cb 0.75 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1pax h VAL 720 CO 0.06 0.40 0.04 0.28 0.02 0.00 0.00 177.57 178.37 1pax h SER 721 N -0.41 0.03 -0.26 0.57 0.02 -1.42 -3.00 113.55 109.07 1pax h SER 721 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pax h SER 721 Cb 0.70 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1pax h SER 721 CO 0.02 0.04 0.00 0.47 -1.14 0.00 0.00 176.83 176.22 1pax n ASP 722 N -5.07 1.54 -2.92 3.07 9.92 -0.51 -4.95 116.55 117.63 1pax n ASP 722 Ca -0.04 -1.92 -0.13 0.00 -0.53 0.00 0.00 54.79 52.17 1pax n ASP 722 Cb 0.06 -0.17 0.07 0.00 -0.64 0.00 0.00 41.12 40.44 1pax n ASP 722 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pax n GLY 723 N 1.00 -0.34 3.81 0.44 0.00 -0.90 -5.02 105.19 104.18 1pax n GLY 723 Ca 0.11 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1pax n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pax s GLY 724 N -3.88 1.62 0.49 -0.02 0.00 0.44 -4.99 107.32 100.98 1pax s GLY 724 Ca 0.09 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.34 1pax s GLY 724 CO 0.58 0.19 1.21 1.44 0.00 0.00 0.00 173.10 176.53 1pax n SER 725 N -3.43 2.14 0.24 1.64 7.64 -1.26 -4.88 113.62 115.70 1pax n SER 725 Ca 0.07 1.01 0.07 0.00 1.01 0.00 0.00 58.87 61.02 1pax n SER 725 Cb 0.57 -1.49 0.56 0.00 -1.01 0.00 0.00 64.21 62.83 1pax n SER 725 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1pax h GLU 726 N 1.55 0.00 -0.53 1.43 3.07 -1.97 -1.68 114.58 116.45 1pax h GLU 726 Ca -0.48 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 1pax h GLU 726 Cb 1.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1pax h GLU 726 CO 0.57 0.13 0.07 0.66 -1.40 0.00 0.00 179.01 179.04 1pax h SER 727 N 0.00 0.81 -0.12 1.42 4.64 -1.99 -0.97 113.55 117.33 1pax h SER 727 Ca -0.00 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1pax h SER 727 Cb 0.24 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1pax h SER 727 CO 0.02 0.83 0.04 -0.61 -0.87 0.00 0.00 176.83 176.23 1pax h GLN 728 N 0.81 0.19 -0.53 4.77 5.75 -1.67 -1.33 115.11 123.10 1pax h GLN 728 Ca 0.17 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1pax h GLN 728 Cb 0.38 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1pax h GLN 728 CO 0.01 0.34 0.21 0.82 -2.65 0.00 0.00 178.83 177.56 1pax h ILE 729 N 0.00 1.19 -0.31 2.39 2.04 -1.18 -0.48 117.51 121.17 1pax h ILE 729 Ca 0.04 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1pax h ILE 729 Cb 0.23 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1pax h ILE 729 CO -0.00 0.24 -0.20 0.25 0.00 0.00 0.00 178.15 178.44 1pax h LEU 730 N 0.75 0.71 -0.59 1.44 5.85 -1.06 -1.56 115.31 120.85 1pax h LEU 730 Ca 0.18 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1pax h LEU 730 Cb 0.15 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1pax h LEU 730 CO -0.02 0.99 0.12 -0.78 -0.34 0.00 0.00 178.44 178.41 1pax h ASP 731 N 0.44 0.93 -0.51 1.25 3.58 -0.67 -1.40 116.42 120.02 1pax h ASP 731 Ca 0.06 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 1pax h ASP 731 Cb 0.75 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1pax h ASP 731 CO 0.06 0.94 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.22 1pax h LEU 732 N 0.88 0.97 -0.49 2.28 3.38 -1.08 -1.46 115.31 119.79 1pax h LEU 732 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1pax h LEU 732 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pax h LEU 732 CO 0.01 1.05 0.17 0.28 0.09 0.00 0.00 178.44 180.04 1pax h SER 733 N 0.88 0.70 -0.69 -0.43 0.02 -0.98 -1.32 113.55 111.73 1pax h SER 733 Ca 0.15 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1pax h SER 733 Cb 0.60 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1pax h SER 733 CO 0.04 0.70 0.30 0.78 -1.14 0.00 0.00 176.83 177.51 1pax h ASN 734 N 0.65 0.94 -0.47 3.07 2.35 -1.07 -1.51 115.58 119.52 1pax h ASN 734 Ca 0.16 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1pax h ASN 734 Cb 0.25 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1pax h ASN 734 CO -0.01 0.84 -0.10 0.03 -1.65 0.00 0.00 177.43 176.54 1pax h ARG 735 N 0.98 0.95 -0.06 0.81 3.08 -1.06 -2.32 114.38 116.75 1pax h ARG 735 Ca 0.23 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1pax h ARG 735 Cb 0.18 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1pax h ARG 735 CO -0.02 0.99 0.02 0.35 -1.07 0.00 0.00 179.97 180.24 1pax h PHE 736 N 0.85 0.09 0.00 3.04 3.57 -0.95 -1.32 116.94 122.22 1pax h PHE 736 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1pax h PHE 736 Cb 0.63 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1pax h PHE 736 CO 0.04 0.22 0.00 1.88 -2.23 0.00 0.00 178.31 178.22 1pax h TYR 737 N -0.07 0.00 0.04 0.41 0.05 -1.28 0.11 116.97 116.23 1pax h TYR 737 Ca 0.02 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.51 1pax h TYR 737 Cb 0.17 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1pax h TYR 737 CO -0.02 0.00 -1.61 1.15 -1.05 0.00 0.00 178.16 176.63 1pax h THR 738 N 0.00 1.00 -0.02 -2.88 2.02 -1.17 -3.16 112.91 108.69 1pax h THR 738 Ca 0.00 -2.77 -0.13 0.00 0.77 0.00 0.00 66.41 64.28 1pax h THR 738 Cb 0.34 2.56 0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1pax h THR 738 CO 0.00 0.68 -0.50 0.25 0.37 0.00 0.00 175.52 176.32 1pax h LEU 739 N 0.02 0.48 -7.44 2.58 5.85 -0.70 -3.39 115.31 112.71 1pax h LEU 739 Ca -0.26 -0.73 -0.64 0.00 0.84 0.00 0.00 57.88 57.09 1pax h LEU 739 Cb 1.98 -0.15 -0.41 0.00 0.37 0.00 0.00 40.66 42.46 1pax h LEU 739 CO 0.10 1.15 -0.67 -0.63 -0.34 0.00 0.00 178.44 178.05 1pax s ILE 740 N -3.31 2.36 0.16 4.05 -1.09 0.34 -5.09 121.20 118.61 1pax s ILE 740 Ca -0.14 -2.92 -0.33 0.00 -2.23 0.00 0.00 60.65 55.04 1pax s ILE 740 Cb 0.03 -2.67 -0.12 0.00 -1.58 0.00 0.00 42.46 38.12 1pax s ILE 740 CO 0.80 -0.74 1.72 -2.65 -1.23 0.00 0.00 174.94 172.84 1pax n PRO 741 N 3.53 2.56 -4.27 2.79 -0.02 -1.19 -4.35 135.00 134.05 1pax n PRO 741 Ca 0.05 0.93 -0.27 0.00 -2.02 0.00 0.00 63.50 62.19 1pax n PRO 741 Cb 0.35 -2.76 -0.09 0.00 -0.02 0.00 0.00 33.50 30.98 1pax n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1pax s HIS 742 N 1.65 2.68 -0.28 6.00 3.76 -1.26 -0.40 115.29 127.44 1pax s HIS 742 Ca 0.79 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.50 1pax s HIS 742 Cb -0.56 -1.30 0.08 0.00 1.11 0.00 0.00 32.58 31.91 1pax s HIS 742 CO 0.36 0.52 0.03 0.34 -0.85 0.00 0.00 174.74 175.14 1pax s ASP 743 N -2.88 4.07 -0.09 1.40 2.15 -0.53 -4.58 116.67 116.20 1pax s ASP 743 Ca 0.26 -1.54 0.18 0.00 0.43 0.00 0.00 52.55 51.88 1pax s ASP 743 Cb -0.09 -1.14 0.68 0.00 -0.30 0.00 0.00 42.92 42.08 1pax s ASP 743 CO 0.16 -0.33 1.58 0.49 -0.17 0.00 0.00 175.17 176.90 1pax n PHE 744 N 4.66 1.36 -1.25 -5.34 3.72 -1.26 -4.82 117.46 114.52 1pax n PHE 744 Ca -0.05 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 1pax n PHE 744 Cb 0.43 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1pax n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pax n GLY 745 N 1.20 2.91 0.33 1.37 0.00 -1.26 -2.35 105.19 107.39 1pax n GLY 745 Ca 0.25 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1pax n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pax n MET 746 N 13.65 1.43 -3.99 1.61 2.81 -1.26 -4.88 117.12 126.48 1pax n MET 746 Ca 0.00 -0.66 -0.23 0.00 -1.81 0.00 0.00 57.70 55.00 1pax n MET 746 Cb 0.00 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 1pax n MET 746 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1pax s LYS 747 N -1.83 3.31 0.46 0.03 -2.85 -0.99 -5.09 119.74 112.78 1pax s LYS 747 Ca 0.24 -0.76 -0.23 0.00 -1.00 0.00 0.00 55.97 54.23 1pax s LYS 747 Cb 0.12 -2.84 -0.08 0.00 -2.06 0.00 0.00 37.83 32.97 1pax s LYS 747 CO 0.19 0.46 1.12 0.15 0.10 0.00 0.00 175.35 177.37 1pax s LYS 748 N -3.62 3.82 -0.03 1.78 -0.14 -1.26 -4.76 119.74 115.53 1pax s LYS 748 Ca 0.34 1.65 -0.30 0.00 -1.36 0.00 0.00 55.97 56.29 1pax s LYS 748 Cb -0.10 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 1pax s LYS 748 CO 0.28 -0.47 1.31 -1.25 -0.76 0.00 0.00 175.35 174.46 1pax s PRO 749 N -2.76 4.31 0.40 -1.68 0.04 -1.26 -5.00 135.00 129.04 1pax s PRO 749 Ca 0.63 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 1pax s PRO 749 Cb -0.25 -3.58 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 1pax s PRO 749 CO 0.30 -0.53 1.22 -1.25 0.04 0.00 0.00 177.00 176.79 1pax s PRO 750 N 2.38 4.04 0.53 0.56 0.04 -1.26 -5.01 135.00 136.28 1pax s PRO 750 Ca 0.60 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 1pax s PRO 750 Cb -0.28 -2.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 1pax s PRO 750 CO 0.24 -0.37 1.00 -0.51 0.04 0.00 0.00 177.00 177.40 1pax s LEU 751 N -2.41 3.61 -1.45 -3.56 1.43 -1.26 -4.93 118.68 110.10 1pax s LEU 751 Ca 0.56 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 1pax s LEU 751 Cb -0.34 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.41 1pax s LEU 751 CO 0.43 -0.72 2.32 0.18 0.23 0.00 0.00 176.35 178.80 1pax n LEU 752 N -1.65 7.32 0.00 1.79 4.77 -1.26 -4.33 117.00 123.64 1pax n LEU 752 Ca 0.07 -4.35 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 1pax n LEU 752 Cb 0.54 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1pax n LEU 752 CO 0.46 1.45 0.37 -1.54 -1.33 0.00 0.00 177.39 176.80 1pax n SER 753 N 4.75 1.43 -4.22 -1.43 3.41 -1.26 -4.89 113.62 111.41 1pax n SER 753 Ca 0.56 -1.53 -0.33 0.00 -0.26 0.00 0.00 58.87 57.31 1pax n SER 753 Cb 0.34 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 1pax n SER 753 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1pax s ASN 754 N -0.53 3.43 0.61 4.04 3.84 -1.26 -5.01 114.94 120.05 1pax s ASN 754 Ca 0.00 -0.53 0.32 0.00 0.21 0.00 0.00 52.86 52.86 1pax s ASN 754 Cb 0.00 -1.52 1.87 0.00 -0.55 0.00 0.00 41.25 41.06 1pax s ASN 754 CO 0.00 0.07 2.22 -0.07 -2.79 0.00 0.00 177.10 176.53 1pax h LEU 755 N 7.39 0.00 0.05 3.21 3.38 -1.98 -1.99 115.31 125.37 1pax h LEU 755 Ca -0.34 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 1pax h LEU 755 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1pax h LEU 755 CO 0.57 0.00 -1.18 -0.33 0.09 0.00 0.00 178.44 177.59 1pax h GLU 756 N 0.00 0.46 -0.34 1.13 5.08 -1.99 -2.47 114.58 116.44 1pax h GLU 756 Ca 0.02 -0.63 -0.13 0.00 -1.00 0.00 0.00 59.36 57.63 1pax h GLU 756 Cb 0.17 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1pax h GLU 756 CO -0.00 1.26 -0.32 -0.92 -1.00 0.00 0.00 179.01 178.04 1pax h TYR 757 N 0.19 0.87 -0.72 4.33 3.20 -1.82 -1.57 116.97 121.46 1pax h TYR 757 Ca -0.15 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 61.42 1pax h TYR 757 Cb 1.86 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.90 1pax h TYR 757 CO 0.09 0.97 0.19 0.82 -1.64 0.00 0.00 178.16 178.59 1pax h ILE 758 N 0.63 1.26 -0.58 1.81 2.04 -1.43 -1.65 117.51 119.59 1pax h ILE 758 Ca 0.07 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 1pax h ILE 758 Cb 0.85 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1pax h ILE 758 CO 0.07 0.37 0.15 1.56 0.00 0.00 0.00 178.15 180.30 1pax h GLN 759 N 1.08 0.93 -0.74 2.37 7.50 -1.21 -0.55 115.11 124.49 1pax h GLN 759 Ca 0.23 -0.22 0.01 0.00 0.50 0.00 0.00 58.65 59.17 1pax h GLN 759 Cb 0.35 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.72 1pax h GLN 759 CO -0.00 0.86 0.49 0.00 -1.50 0.00 0.00 178.83 178.67 1pax h ALA 760 N 1.03 0.95 -0.21 3.87 0.00 -0.91 -2.34 119.26 121.65 1pax h ALA 760 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1pax h ALA 760 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pax h ALA 760 CO 0.00 0.34 -0.33 0.87 0.00 0.00 0.00 179.25 180.13 1pax h LYS 761 N 0.99 0.44 -0.50 0.00 1.79 -0.80 -1.74 116.57 116.74 1pax h LYS 761 Ca 0.28 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1pax h LYS 761 Cb -0.09 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1pax h LYS 761 CO -0.07 0.72 0.06 0.28 -1.08 0.00 0.00 179.45 179.36 1pax h VAL 762 N 0.38 1.23 -0.35 0.50 2.07 -0.76 -2.60 116.25 116.73 1pax h VAL 762 Ca 0.05 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.51 1pax h VAL 762 Cb 0.77 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1pax h VAL 762 CO 0.06 0.33 -0.35 1.56 0.02 0.00 0.00 177.57 179.19 1pax h GLN 763 N 0.76 0.81 -0.70 1.57 7.50 -1.02 -2.34 115.11 121.70 1pax h GLN 763 Ca 0.16 -0.40 0.04 0.00 0.50 0.00 0.00 58.65 58.95 1pax h GLN 763 Cb 0.38 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.86 1pax h GLN 763 CO 0.01 1.03 0.42 1.98 -1.50 0.00 0.00 178.83 180.77 1pax h MET 764 N 0.67 0.78 -0.49 1.46 4.05 -1.13 -2.11 114.93 118.17 1pax h MET 764 Ca 0.07 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1pax h MET 764 Cb 0.90 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1pax h MET 764 CO 0.08 0.51 0.07 -0.07 0.23 0.00 0.00 176.91 177.73 1pax h LEU 765 N 0.80 0.72 -1.03 3.39 3.38 -1.22 0.40 115.31 121.74 1pax h LEU 765 Ca 0.29 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1pax h LEU 765 Cb 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1pax h LEU 765 CO -0.14 0.74 0.65 0.44 0.09 0.00 0.00 178.44 180.23 1pax h ASP 766 N 0.73 1.11 -0.15 -0.43 3.32 -0.85 -1.37 116.42 118.78 1pax h ASP 766 Ca 0.15 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 1pax h ASP 766 Cb 0.35 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pax h ASP 766 CO 0.01 0.78 -0.59 0.78 -1.72 0.00 0.00 179.24 178.49 1pax h ASN 767 N 1.30 0.77 0.09 6.45 2.35 -0.92 -3.19 115.58 122.43 1pax h ASN 767 Ca 0.38 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1pax h ASN 767 Cb -0.07 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.07 1pax h ASN 767 CO -0.10 1.26 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.80 1pax h LEU 768 N 0.33 0.00 -1.21 1.61 3.38 -0.53 -1.53 115.31 117.37 1pax h LEU 768 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1pax h LEU 768 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1pax h LEU 768 CO 0.12 0.08 0.06 -0.07 0.09 0.00 0.00 178.44 178.72 1pax h LEU 769 N 0.00 0.57 0.06 1.67 3.38 -1.24 0.25 115.31 119.99 1pax h LEU 769 Ca -0.00 -0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 1pax h LEU 769 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1pax h LEU 769 CO 0.01 0.59 -1.45 0.44 0.09 0.00 0.00 178.44 178.13 1pax h ASP 770 N 0.59 0.19 -0.48 -0.43 3.32 -1.45 -3.21 116.42 114.95 1pax h ASP 770 Ca 0.13 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1pax h ASP 770 Cb 0.28 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1pax h ASP 770 CO 0.00 1.23 -0.08 0.40 -1.72 0.00 0.00 179.24 179.06 1pax h ILE 771 N 0.03 1.27 -0.89 0.35 2.04 -1.07 -2.02 117.51 117.22 1pax h ILE 771 Ca -0.20 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.50 1pax h ILE 771 Cb 1.95 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 1pax h ILE 771 CO 0.13 0.42 0.57 -0.08 0.00 0.00 0.00 178.15 179.19 1pax h GLU 772 N 0.75 1.06 -0.40 2.37 4.22 -1.07 -1.28 114.58 120.23 1pax h GLU 772 Ca 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 1pax h GLU 772 Cb 0.63 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1pax h GLU 772 CO 0.04 0.70 0.16 0.28 -2.18 0.00 0.00 179.01 178.02 1pax h VAL 773 N 1.09 1.19 -0.14 0.32 2.07 -1.49 -2.13 116.25 117.16 1pax h VAL 773 Ca 0.36 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1pax h VAL 773 Cb 0.05 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1pax h VAL 773 CO -0.13 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.69 1pax h ALA 774 N 1.01 0.14 -0.69 1.67 0.00 -0.60 -1.75 119.26 119.04 1pax h ALA 774 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1pax h ALA 774 Cb 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pax h ALA 774 CO -0.01 -0.43 0.13 -0.92 0.00 0.00 0.00 179.25 178.02 1pax h TYR 775 N 0.07 1.19 -0.66 0.00 3.20 -1.23 -1.58 116.97 117.95 1pax h TYR 775 Ca 0.06 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1pax h TYR 775 Cb 0.06 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1pax h TYR 775 CO -0.13 0.98 0.42 0.77 -1.64 0.00 0.00 178.16 178.56 1pax h SER 776 N 1.05 0.77 -0.57 -2.11 0.02 -1.13 -2.19 113.55 109.40 1pax h SER 776 Ca 0.21 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1pax h SER 776 Cb 0.42 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1pax h SER 776 CO 0.01 0.57 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.17 1pax h LEU 777 N 0.89 1.01 -1.34 5.07 3.38 -1.13 -2.63 115.31 120.56 1pax h LEU 777 Ca 0.24 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pax h LEU 777 Cb -0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1pax h LEU 777 CO -0.05 1.08 0.47 0.25 0.09 0.00 0.00 178.44 180.28 1pax h LEU 778 N 0.90 0.74 -1.87 1.67 5.85 -0.77 -1.31 115.31 120.52 1pax h LEU 778 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1pax h LEU 778 Cb 0.58 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1pax h LEU 778 CO 0.03 0.51 0.00 -2.11 -0.34 0.00 0.00 178.44 176.53 1pax n ARG 779 N -4.46 2.21 0.00 1.25 1.85 -0.87 -4.91 116.66 111.74 1pax n ARG 779 Ca 0.09 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.10 1pax n ARG 779 Cb 0.13 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1pax n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pax n GLY 780 N 1.36 -1.14 3.57 2.89 0.00 -0.50 -4.78 105.19 106.59 1pax n GLY 780 Ca 0.18 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 1pax n GLY 780 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pax s GLY 781 N -0.15 -0.56 -0.10 -0.02 0.00 -1.26 -4.68 107.32 100.54 1pax s GLY 781 Ca 0.00 -1.54 0.14 0.00 0.00 0.00 0.00 44.72 43.33 1pax s GLY 781 CO 0.00 3.98 1.34 0.70 0.00 0.00 0.00 173.10 179.13 1pax n ASN 782 N 17.38 3.45 0.12 1.64 4.13 -1.26 -4.67 115.26 136.05 1pax n ASN 782 Ca 0.43 -2.60 -0.02 0.00 1.68 0.00 0.00 54.58 54.07 1pax n ASN 782 Cb 0.46 -0.41 0.15 0.00 -1.54 0.00 0.00 39.78 38.44 1pax n ASN 782 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1pax h GLU 783 N 1.83 0.06 -6.16 3.52 9.09 -1.99 -3.45 114.58 117.48 1pax h GLU 783 Ca 0.00 -0.05 -0.68 0.00 0.05 0.00 0.00 59.36 58.69 1pax h GLU 783 Cb 1.14 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.26 1pax h GLU 783 CO 0.13 0.66 1.10 -3.47 0.05 0.00 0.00 179.01 177.48 1pax n ASP 784 N -3.82 2.75 0.01 3.06 -0.08 -1.26 -4.86 116.55 112.36 1pax n ASP 784 Ca -0.02 0.89 0.11 0.00 -1.51 0.00 0.00 54.79 54.27 1pax n ASP 784 Cb 0.62 -1.26 0.11 0.00 2.34 0.00 0.00 41.12 42.93 1pax n ASP 784 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pax n GLY 785 N 4.81 -1.21 0.60 0.27 0.00 -1.26 -4.09 105.19 104.30 1pax n GLY 785 Ca 0.28 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1pax n GLY 785 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pax n ASP 786 N -1.71 1.62 -3.91 1.61 9.92 -1.26 -4.78 116.55 118.04 1pax n ASP 786 Ca 0.04 -2.12 -0.11 0.00 -0.53 0.00 0.00 54.79 52.08 1pax n ASP 786 Cb 0.38 -0.33 -0.12 0.00 -0.64 0.00 0.00 41.12 40.41 1pax n ASP 786 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pax s LYS 787 N -1.61 0.23 0.41 -1.24 1.02 -1.26 -5.05 119.74 112.24 1pax s LYS 787 Ca 0.14 -0.30 -0.23 0.00 0.02 0.00 0.00 55.97 55.59 1pax s LYS 787 Cb 0.09 0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 1pax s LYS 787 CO 0.07 -0.04 1.06 0.34 -0.92 0.00 0.00 175.35 175.86 1pax s ASP 788 N -0.83 6.66 0.27 2.83 -1.08 -1.26 -4.87 116.67 118.40 1pax s ASP 788 Ca -0.09 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 1pax s ASP 788 Cb -0.06 -2.58 0.59 0.00 -1.46 0.00 0.00 42.92 39.41 1pax s ASP 788 CO -0.00 -0.56 1.73 -0.65 0.52 0.00 0.00 175.17 176.21 1pax h PRO 789 N 2.36 0.50 -0.14 4.34 0.11 -1.97 -0.58 132.00 136.63 1pax h PRO 789 Ca -0.48 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1pax h PRO 789 Cb 1.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1pax h PRO 789 CO 0.62 0.33 0.01 0.82 -0.21 0.00 0.00 178.00 179.56 1pax h ILE 790 N 0.51 0.91 -0.90 4.15 1.08 -1.99 -1.78 117.51 119.50 1pax h ILE 790 Ca 0.49 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.98 1pax h ILE 790 Cb 0.80 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 1pax h ILE 790 CO -0.43 0.01 0.58 0.44 -0.69 0.00 0.00 178.15 178.06 1pax h ASP 791 N 0.05 0.95 -0.47 1.72 5.19 -1.64 -0.62 116.42 121.60 1pax h ASP 791 Ca 0.06 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1pax h ASP 791 Cb 0.07 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1pax h ASP 791 CO -0.10 0.64 0.19 0.40 -3.12 0.00 0.00 179.24 177.24 1pax h ILE 792 N 1.10 1.21 -0.13 0.35 2.04 -0.77 -2.39 117.51 118.92 1pax h ILE 792 Ca 0.37 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1pax h ILE 792 Cb 0.05 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1pax h ILE 792 CO -0.13 0.24 -0.50 0.78 0.00 0.00 0.00 178.15 178.54 1pax h ASN 793 N 0.61 0.36 -0.38 1.72 2.35 -0.84 -2.81 115.58 116.60 1pax h ASN 793 Ca 0.16 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1pax h ASN 793 Cb 0.19 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1pax h ASN 793 CO -0.01 0.80 0.20 0.22 -1.65 0.00 0.00 177.43 176.99 1pax h TYR 794 N 0.27 0.52 0.00 1.19 3.20 -0.99 -1.90 116.97 119.26 1pax h TYR 794 Ca 0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1pax h TYR 794 Cb 0.97 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1pax h TYR 794 CO 0.02 0.41 -0.07 0.93 -1.64 0.00 0.00 178.16 177.81 1pax h GLU 795 N 0.48 0.00 0.00 1.82 5.08 -1.30 -0.61 114.58 120.05 1pax h GLU 795 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pax h GLU 795 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pax h GLU 795 CO -0.02 0.07 0.00 0.87 -1.00 0.00 0.00 179.01 178.93 1pax h LYS 796 N 0.00 0.00 0.00 2.33 1.57 -1.09 -2.59 116.57 116.80 1pax h LYS 796 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pax h LYS 796 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1pax h LYS 796 CO 0.01 0.00 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.59 1pax h LEU 797 N 0.00 0.00 -1.26 2.94 3.38 -1.07 -3.47 115.31 115.84 1pax h LEU 797 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1pax h LEU 797 Cb 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1pax h LEU 797 CO 0.00 0.04 -0.81 0.54 0.09 0.00 0.00 178.44 178.30 1pax n ARG 798 N -3.03 -4.41 -3.71 1.13 1.74 -0.98 -4.00 116.66 103.40 1pax n ARG 798 Ca 0.03 0.50 -0.19 0.00 -0.77 0.00 0.00 57.85 57.43 1pax n ARG 798 Cb 0.55 -5.19 -0.17 0.00 -1.02 0.00 0.00 32.46 26.63 1pax n ARG 798 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pax s THR 799 N -3.45 -0.06 -0.18 0.55 2.01 -1.26 -1.15 115.64 112.10 1pax s THR 799 Ca 0.50 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 1pax s THR 799 Cb -0.26 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.09 1pax s THR 799 CO 0.87 0.16 1.09 -0.62 -0.69 0.00 0.00 174.62 175.42 1pax s ASP 800 N 1.82 7.09 -0.09 3.53 2.15 -0.69 -4.89 116.67 125.59 1pax s ASP 800 Ca 0.01 1.49 0.03 0.00 0.43 0.00 0.00 52.55 54.51 1pax s ASP 800 Cb -0.12 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 1pax s ASP 800 CO -0.03 -0.64 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.50 1pax s ILE 801 N 2.98 2.48 0.02 4.11 1.01 -1.26 -1.43 121.20 129.11 1pax s ILE 801 Ca 0.48 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1pax s ILE 801 Cb -0.17 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1pax s ILE 801 CO 0.11 0.55 -0.07 -0.54 0.00 0.00 0.00 174.94 174.99 1pax s LYS 802 N 0.10 0.51 -0.08 2.79 1.02 0.06 -4.97 119.74 119.16 1pax s LYS 802 Ca -0.09 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1pax s LYS 802 Cb -0.15 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1pax s LYS 802 CO 0.06 0.10 0.99 0.08 -0.92 0.00 0.00 175.35 175.65 1pax s VAL 803 N -0.69 4.82 0.02 3.17 1.01 -1.26 0.46 120.40 127.92 1pax s VAL 803 Ca -0.03 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.71 1pax s VAL 803 Cb -0.06 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1pax s VAL 803 CO 0.00 0.06 0.83 -0.69 0.00 0.00 0.00 175.10 175.30 1pax s VAL 804 N 1.70 4.79 -0.06 2.92 1.01 0.42 -4.86 120.40 126.33 1pax s VAL 804 Ca 0.49 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.93 1pax s VAL 804 Cb -0.19 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1pax s VAL 804 CO 0.21 0.29 2.04 -0.62 0.00 0.00 0.00 175.10 177.01 1pax s ASP 805 N 0.38 6.12 0.53 3.32 2.15 -1.26 -4.67 116.67 123.24 1pax s ASP 805 Ca 0.43 2.38 0.29 0.00 0.43 0.00 0.00 52.55 56.08 1pax s ASP 805 Cb -0.20 -2.52 1.43 0.00 -0.30 0.00 0.00 42.92 41.32 1pax s ASP 805 CO 0.24 -1.36 1.91 0.11 -0.17 0.00 0.00 175.17 175.90 1pax h LYS 806 N 12.07 0.04 -0.64 4.34 1.79 -1.95 -1.48 116.57 130.74 1pax h LYS 806 Ca -0.46 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1pax h LYS 806 Cb 1.24 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1pax h LYS 806 CO 0.95 0.02 0.00 -0.25 -1.08 0.00 0.00 179.45 179.09 1pax n ASP 807 N -4.31 3.91 -4.93 0.86 9.92 -1.26 -4.61 116.55 116.13 1pax n ASP 807 Ca 0.17 -2.10 -0.26 0.00 -0.53 0.00 0.00 54.79 52.07 1pax n ASP 807 Cb 0.87 -0.46 0.06 0.00 -0.64 0.00 0.00 41.12 40.96 1pax n ASP 807 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pax s SER 808 N -1.01 4.92 0.23 -2.24 1.04 -0.56 -4.92 113.70 111.16 1pax s SER 808 Ca 0.44 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 1pax s SER 808 Cb 0.24 -1.18 0.21 0.00 0.10 0.00 0.00 66.02 65.40 1pax s SER 808 CO 0.28 -1.53 1.74 -0.33 0.98 0.00 0.00 173.24 174.38 1pax h GLU 809 N -0.54 1.00 -0.49 4.02 4.39 -1.93 -1.50 114.58 119.53 1pax h GLU 809 Ca -0.44 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.08 1pax h GLU 809 Cb 1.31 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1pax h GLU 809 CO 0.60 0.92 0.13 1.49 -1.16 0.00 0.00 179.01 180.99 1pax h GLU 810 N 0.95 0.27 -0.10 2.33 4.81 -1.94 0.01 114.58 120.91 1pax h GLU 810 Ca 0.19 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 1pax h GLU 810 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1pax h GLU 810 CO 0.01 0.18 -0.60 0.00 -0.73 0.00 0.00 179.01 177.87 1pax h ALA 811 N 1.36 0.79 -0.18 2.92 0.00 -1.73 -2.80 119.26 119.62 1pax h ALA 811 Ca 0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1pax h ALA 811 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pax h ALA 811 CO -0.29 0.72 0.03 0.87 0.00 0.00 0.00 179.25 180.58 1pax h LYS 812 N 0.25 0.30 -0.32 0.00 1.57 -0.36 -1.52 116.57 116.49 1pax h LYS 812 Ca -0.00 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1pax h LYS 812 Cb 1.12 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1pax h LYS 812 CO 0.10 0.47 0.17 0.82 -0.57 0.00 0.00 179.45 180.43 1pax h ILE 813 N 0.08 1.00 -0.61 1.86 2.04 -1.04 -1.63 117.51 119.22 1pax h ILE 813 Ca 0.05 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1pax h ILE 813 Cb 0.31 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1pax h ILE 813 CO 0.00 0.06 0.27 0.40 0.00 0.00 0.00 178.15 178.89 1pax h ILE 814 N 0.35 1.21 -0.05 -0.67 2.04 -1.43 -1.04 117.51 117.91 1pax h ILE 814 Ca 0.13 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1pax h ILE 814 Cb 0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1pax h ILE 814 CO -0.09 0.25 -0.52 0.11 0.00 0.00 0.00 178.15 177.91 1pax h LYS 815 N 0.86 0.15 -0.49 2.37 1.57 -0.99 -1.78 116.57 118.25 1pax h LYS 815 Ca 0.21 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1pax h LYS 815 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1pax h LYS 815 CO -0.02 0.63 -0.13 0.37 -0.57 0.00 0.00 179.45 179.73 1pax h GLN 816 N 0.12 0.96 -0.73 3.15 5.75 -0.54 -1.02 115.11 122.80 1pax h GLN 816 Ca 0.00 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.09 1pax h GLN 816 Cb 0.95 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.42 1pax h GLN 816 CO 0.07 1.04 0.28 -0.92 -2.65 0.00 0.00 178.83 176.65 1pax h TYR 817 N 0.81 1.10 0.14 3.99 3.20 -1.01 -0.30 116.97 124.90 1pax h TYR 817 Ca 0.12 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1pax h TYR 817 Cb 0.69 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1pax h TYR 817 CO 0.05 0.84 -0.07 0.28 -1.64 0.00 0.00 178.16 177.63 1pax h VAL 818 N 1.06 1.02 0.32 1.81 2.07 -1.09 -3.02 116.25 118.43 1pax h VAL 818 Ca 0.24 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1pax h VAL 818 Cb 0.22 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1pax h VAL 818 CO -0.02 0.23 -0.15 0.50 0.02 0.00 0.00 177.57 178.15 1pax h LYS 819 N -0.70 -0.42 -0.01 1.57 3.64 -1.15 -3.25 116.57 116.25 1pax h LYS 819 Ca -0.02 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1pax h LYS 819 Cb 0.52 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1pax h LYS 819 CO 0.03 -0.27 -0.35 -0.91 -2.27 0.00 0.00 179.45 175.68 1pax h ASN 820 N -0.45 0.03 -0.61 4.20 2.35 -1.20 -3.24 115.58 116.66 1pax h ASN 820 Ca -0.04 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 1pax h ASN 820 Cb 0.34 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.63 1pax h ASN 820 CO 0.07 0.38 0.17 0.35 -1.65 0.00 0.00 177.43 176.75 1pax n THR 821 N -4.12 2.57 -2.79 2.81 -2.24 -1.14 -3.50 114.28 105.87 1pax n THR 821 Ca -0.02 -1.36 -0.43 0.00 -2.27 0.00 0.00 64.05 59.98 1pax n THR 821 Cb 0.39 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1pax n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pax s HIS 822 N -2.64 2.64 0.60 4.78 5.04 -1.22 -2.73 115.29 121.75 1pax s HIS 822 Ca 0.48 -0.27 -0.18 0.00 -1.54 0.00 0.00 55.06 53.56 1pax s HIS 822 Cb 0.38 -4.29 -0.07 0.00 0.04 0.00 0.00 32.58 28.64 1pax s HIS 822 CO 0.13 -1.63 0.63 0.00 -2.34 0.00 0.00 174.74 171.52 1pax n ALA 823 N 7.95 -0.90 -0.13 1.58 0.00 -1.26 -4.96 120.51 122.79 1pax n ALA 823 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1pax n ALA 823 Cb 0.47 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 1pax n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pax h ALA 824 N 0.18 0.51 0.00 0.00 0.00 -1.97 -3.07 119.26 114.91 1pax h ALA 824 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1pax h ALA 824 Cb 1.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pax h ALA 824 CO 0.47 0.20 0.00 0.25 0.00 0.00 0.00 179.25 180.17 1pax n THR 825 N -4.56 0.48 -0.36 0.00 -2.24 -1.26 -2.80 114.28 103.53 1pax n THR 825 Ca -0.01 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1pax n THR 825 Cb 0.21 -0.76 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 1pax n THR 825 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pax n HIS 826 N -1.42 0.80 -1.68 4.78 -0.00 -1.16 -4.75 115.22 111.79 1pax n HIS 826 Ca 0.07 -0.54 -0.39 0.00 -0.00 0.00 0.00 57.72 56.86 1pax n HIS 826 Cb 0.22 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.99 30.13 1pax n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1pax n ASN 827 N 0.91 8.35 -0.62 0.41 3.02 -1.12 -3.80 115.26 122.40 1pax n ASN 827 Ca 0.18 -2.88 0.07 0.00 -0.03 0.00 0.00 54.58 51.92 1pax n ASN 827 Cb 0.58 -1.45 0.09 0.00 -0.61 0.00 0.00 39.78 38.39 1pax n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pax n ALA 828 N 2.54 2.43 -3.49 5.41 0.00 -1.26 -4.99 120.51 121.15 1pax n ALA 828 Ca 0.70 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1pax n ALA 828 Cb 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1pax n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1pax s TYR 829 N -1.15 -0.39 0.42 0.00 -0.85 -1.25 -3.37 117.35 110.76 1pax s TYR 829 Ca 0.19 0.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.05 1pax s TYR 829 Cb 0.13 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.99 1pax s TYR 829 CO 0.18 -0.62 0.38 -0.51 -1.52 0.00 0.00 175.55 173.46 1pax s ASP 830 N -2.55 5.03 -0.07 -0.18 1.01 0.11 -4.92 116.67 115.09 1pax s ASP 830 Ca 0.04 -0.76 0.01 0.00 0.71 0.00 0.00 52.55 52.54 1pax s ASP 830 Cb -0.01 -0.54 0.02 0.00 1.01 0.00 0.00 42.92 43.40 1pax s ASP 830 CO -0.10 -0.67 -0.06 -0.22 0.21 0.00 0.00 175.17 174.33 1pax s LEU 831 N -4.13 1.25 -0.09 1.23 2.96 -1.26 -1.12 118.68 117.52 1pax s LEU 831 Ca 0.48 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1pax s LEU 831 Cb -0.03 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 1pax s LEU 831 CO 0.28 -0.07 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.27 1pax s LYS 832 N 1.18 2.88 -0.45 1.98 2.20 0.22 -4.95 119.74 122.81 1pax s LYS 832 Ca -0.06 -0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 1pax s LYS 832 Cb -0.14 -2.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1pax s LYS 832 CO -0.02 0.30 1.08 0.08 -0.36 0.00 0.00 175.35 176.43 1pax s VAL 833 N 0.07 4.31 -0.00 4.02 1.01 -1.26 -0.29 120.40 128.26 1pax s VAL 833 Ca -0.09 1.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.97 1pax s VAL 833 Cb -0.15 -4.54 -0.34 0.00 0.00 0.00 0.00 36.38 31.35 1pax s VAL 833 CO 0.06 -0.88 0.86 0.58 0.00 0.00 0.00 175.10 175.71 1pax h VAL 834 N 6.11 1.13 -2.01 2.92 2.07 -0.81 -3.48 116.25 122.18 1pax h VAL 834 Ca -0.23 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.62 1pax h VAL 834 Cb 1.06 2.92 -0.20 0.00 -1.52 0.00 0.00 31.29 33.56 1pax h VAL 834 CO 1.09 0.83 0.16 -0.70 0.02 0.00 0.00 177.57 178.97 1pax s GLU 835 N -2.59 0.96 -0.12 1.57 2.56 -1.12 -4.97 118.70 114.99 1pax s GLU 835 Ca -0.12 0.58 0.03 0.00 0.00 0.00 0.00 54.97 55.46 1pax s GLU 835 Cb 0.05 0.46 0.01 0.00 2.00 0.00 0.00 34.13 36.64 1pax s GLU 835 CO 0.91 -0.23 -0.21 0.42 -0.56 0.00 0.00 175.26 175.60 1pax s ILE 836 N -0.50 1.89 -0.06 -3.70 1.01 -1.26 0.13 121.20 118.71 1pax s ILE 836 Ca -0.06 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1pax s ILE 836 Cb -0.02 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1pax s ILE 836 CO 0.06 0.52 -0.20 -0.36 0.00 0.00 0.00 174.94 174.95 1pax s PHE 837 N 0.70 2.55 -0.23 3.97 0.08 0.92 -0.44 117.98 125.54 1pax s PHE 837 Ca -0.11 -0.52 -0.18 0.00 0.12 0.00 0.00 56.93 56.25 1pax s PHE 837 Cb -0.16 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1pax s PHE 837 CO 0.02 -0.08 0.50 0.50 -0.10 0.00 0.00 175.22 176.06 1pax s ARG 838 N -0.30 4.13 0.04 0.44 6.06 0.17 -0.41 118.95 129.09 1pax s ARG 838 Ca 0.01 0.34 0.08 0.00 -2.50 0.00 0.00 55.73 53.67 1pax s ARG 838 Cb -0.13 -3.60 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 1pax s ARG 838 CO 0.02 -0.23 -0.24 0.96 -2.50 0.00 0.00 175.30 173.31 1pax s ILE 839 N 1.92 1.95 -0.29 4.11 -4.36 -0.52 -0.76 121.20 123.25 1pax s ILE 839 Ca 0.22 -1.31 -0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1pax s ILE 839 Cb -0.15 -1.68 0.10 0.00 1.25 0.00 0.00 42.46 41.98 1pax s ILE 839 CO 0.09 0.31 0.13 -0.70 0.24 0.00 0.00 174.94 175.01 1pax s GLU 840 N -1.20 0.19 0.30 0.37 2.56 -0.51 -4.38 118.70 116.03 1pax s GLU 840 Ca 0.10 -0.53 -0.29 0.00 0.00 0.00 0.00 54.97 54.25 1pax s GLU 840 Cb -0.09 -1.18 -0.10 0.00 2.00 0.00 0.00 34.13 34.75 1pax s GLU 840 CO 0.02 -1.01 1.27 1.03 -0.56 0.00 0.00 175.26 176.01 1pax s ARG 841 N 2.09 4.41 0.15 4.30 0.52 -1.26 -1.71 118.95 127.47 1pax s ARG 841 Ca 0.09 2.12 -0.34 0.00 -0.52 0.00 0.00 55.73 57.08 1pax s ARG 841 Cb -0.16 -3.11 -0.14 0.00 0.52 0.00 0.00 34.95 32.06 1pax s ARG 841 CO -0.36 -0.13 1.58 -1.91 0.02 0.00 0.00 175.30 174.50 1pax n GLU 842 N 1.20 2.14 -0.77 3.54 2.13 -0.30 -2.11 120.64 126.47 1pax n GLU 842 Ca 0.01 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1pax n GLU 842 Cb 0.42 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1pax n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pax n GLY 843 N 3.43 0.39 0.20 8.31 0.00 -1.26 -4.87 105.19 111.38 1pax n GLY 843 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1pax n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pax h GLU 844 N 1.12 0.66 -0.37 1.61 4.81 -1.82 -2.87 114.58 117.73 1pax h GLU 844 Ca 0.00 -0.60 0.02 0.00 -0.13 0.00 0.00 59.36 58.65 1pax h GLU 844 Cb 0.11 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1pax h GLU 844 CO 0.00 1.21 0.24 0.77 -0.73 0.00 0.00 179.01 180.51 1pax h SER 845 N 0.42 0.36 0.01 1.04 0.02 -1.90 -1.98 113.55 111.52 1pax h SER 845 Ca -0.07 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 1pax h SER 845 Cb 1.50 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.97 1pax h SER 845 CO 0.17 0.25 -0.93 -0.61 -1.14 0.00 0.00 176.83 174.57 1pax h GLN 846 N 0.42 0.61 0.00 3.45 5.75 -1.93 -2.50 115.11 120.91 1pax h GLN 846 Ca 0.14 -0.67 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1pax h GLN 846 Cb 0.07 0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1pax h GLN 846 CO -0.03 1.27 0.00 0.07 -2.65 0.00 0.00 178.83 177.48 1pax h ARG 847 N 0.23 0.00 0.00 1.69 0.11 -1.29 -2.81 114.38 112.31 1pax h ARG 847 Ca -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1pax h ARG 847 Cb 1.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.68 1pax h ARG 847 CO 0.18 0.00 -0.83 0.98 0.10 0.00 0.00 179.97 180.41 1pax n TYR 848 N -2.79 0.59 -0.29 4.08 9.36 -0.76 -4.52 117.16 122.82 1pax n TYR 848 Ca 0.02 0.17 0.04 0.00 3.32 0.00 0.00 57.90 61.46 1pax n TYR 848 Cb 0.35 -0.68 0.13 0.00 -0.63 0.00 0.00 39.34 38.51 1pax n TYR 848 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pax h LYS 849 N 0.00 0.02 -0.73 2.98 1.79 -1.17 -1.16 116.57 118.30 1pax h LYS 849 Ca 0.00 -0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.67 1pax h LYS 849 Cb 0.81 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 1pax h LYS 849 CO 0.00 0.01 0.52 -1.35 -1.08 0.00 0.00 179.45 177.55 1pax h PRO 850 N 0.02 0.04 -0.00 3.15 0.11 -1.81 -2.00 132.00 131.51 1pax h PRO 850 Ca 0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1pax h PRO 850 Cb 0.68 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1pax h PRO 850 CO -0.84 0.03 -0.02 1.19 -0.21 0.00 0.00 178.00 178.15 1pax n PHE 851 N -4.34 0.00 0.59 0.65 3.72 -0.44 -3.12 117.46 114.52 1pax n PHE 851 Ca 0.14 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.66 1pax n PHE 851 Cb 0.77 -0.11 0.46 0.00 -0.94 0.00 0.00 39.48 39.66 1pax n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pax n LYS 852 N -0.97 0.16 0.09 -1.08 5.02 -0.75 -1.93 118.16 118.70 1pax n LYS 852 Ca 0.19 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.87 1pax n LYS 852 Cb 0.19 -1.74 0.45 0.00 -0.02 0.00 0.00 35.03 33.91 1pax n LYS 852 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pax n GLN 853 N -2.03 0.20 -2.87 1.97 1.13 -1.18 -4.83 117.38 109.77 1pax n GLN 853 Ca 0.04 0.22 -0.31 0.00 -1.94 0.00 0.00 57.00 55.01 1pax n GLN 853 Cb 0.31 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 28.85 1pax n GLN 853 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pax s LEU 854 N -4.24 3.88 0.55 1.08 1.43 -0.81 -5.08 118.68 115.48 1pax s LEU 854 Ca 0.10 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1pax s LEU 854 Cb 0.13 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.26 1pax s LEU 854 CO 0.54 -0.36 0.77 -1.38 0.23 0.00 0.00 176.35 176.14 1pax s HIS 855 N -2.28 2.39 -1.04 0.29 -3.43 -1.26 -4.65 115.29 105.31 1pax s HIS 855 Ca 0.54 -0.26 -0.02 0.00 -0.80 0.00 0.00 55.06 54.52 1pax s HIS 855 Cb -0.10 -2.63 -0.02 0.00 -1.43 0.00 0.00 32.58 28.40 1pax s HIS 855 CO 0.26 -0.96 0.88 -1.71 -2.00 0.00 0.00 174.74 171.20 1pax n ASN 856 N -2.30 -3.26 -4.65 7.38 5.15 -1.26 -1.66 115.26 114.67 1pax n ASN 856 Ca 0.10 -0.58 -0.38 0.00 -0.60 0.00 0.00 54.58 53.13 1pax n ASN 856 Cb 0.60 -4.68 -0.09 0.00 -0.53 0.00 0.00 39.78 35.08 1pax n ASN 856 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1pax s ARG 857 N -4.93 4.09 0.20 1.20 0.52 -1.26 -2.23 118.95 116.53 1pax s ARG 857 Ca 0.12 -0.03 0.09 0.00 -0.52 0.00 0.00 55.73 55.38 1pax s ARG 857 Cb -0.02 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 1pax s ARG 857 CO 0.66 -0.07 -0.17 -0.65 0.02 0.00 0.00 175.30 175.09 1pax s GLN 858 N 1.43 1.36 -0.51 3.54 -0.21 -0.80 -1.73 119.66 122.74 1pax s GLN 858 Ca 0.13 -1.55 -0.17 0.00 0.02 0.00 0.00 55.36 53.79 1pax s GLN 858 Cb -0.15 -1.29 0.08 0.00 1.00 0.00 0.00 33.01 32.66 1pax s GLN 858 CO 0.07 0.24 0.53 -1.17 -2.12 0.00 0.00 175.29 172.84 1pax s LEU 859 N -3.11 5.46 0.31 2.90 2.96 -0.06 -0.67 118.68 126.47 1pax s LEU 859 Ca 0.21 -1.28 0.10 0.00 -0.22 0.00 0.00 54.13 52.94 1pax s LEU 859 Cb -0.03 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1pax s LEU 859 CO 0.08 -0.83 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.50 1pax s LEU 860 N 2.12 2.99 0.17 -0.68 1.43 -0.40 -4.61 118.68 119.70 1pax s LEU 860 Ca 0.09 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1pax s LEU 860 Cb -0.23 -1.43 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 1pax s LEU 860 CO 0.08 -0.13 0.50 0.26 0.23 0.00 0.00 176.35 177.28 1pax s TRP 861 N -2.46 3.50 -0.19 0.29 0.52 -0.28 -0.95 118.94 119.37 1pax s TRP 861 Ca 0.33 0.86 -0.04 0.00 0.02 0.00 0.00 56.10 57.27 1pax s TRP 861 Cb -0.03 -2.23 0.09 0.00 -1.15 0.00 0.00 33.47 30.16 1pax s TRP 861 CO 0.19 0.37 0.25 -1.58 0.02 0.00 0.00 176.95 176.20 1pax s HIS 862 N -1.64 -0.38 0.08 -1.98 2.46 -0.51 -1.60 115.29 111.71 1pax s HIS 862 Ca 0.42 0.46 0.01 0.00 0.47 0.00 0.00 55.06 56.42 1pax s HIS 862 Cb -0.13 -0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 1pax s HIS 862 CO 0.21 -0.57 0.18 0.20 -2.47 0.00 0.00 174.74 172.29 1pax s GLY 863 N 2.38 2.06 0.13 1.59 0.00 -1.26 -0.67 107.32 111.54 1pax s GLY 863 Ca 0.07 -0.93 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 1pax s GLY 863 CO -0.12 -0.92 0.74 -0.45 0.00 0.00 0.00 173.10 172.36 1pax s SER 864 N -2.60 -0.42 0.62 1.64 0.15 -1.23 -4.69 113.70 107.16 1pax s SER 864 Ca 0.33 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.67 1pax s SER 864 Cb -0.12 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1pax s SER 864 CO 0.26 -0.92 1.18 -0.13 1.20 0.00 0.00 173.24 174.84 1pax s ARG 865 N -3.54 2.85 0.57 5.44 0.52 -1.22 -4.32 118.95 119.25 1pax s ARG 865 Ca 0.05 1.72 0.27 0.00 -0.52 0.00 0.00 55.73 57.25 1pax s ARG 865 Cb -0.02 -1.93 1.66 0.00 0.52 0.00 0.00 34.95 35.19 1pax s ARG 865 CO -0.07 -1.28 2.21 1.79 0.02 0.00 0.00 175.30 177.97 1pax h THR 866 N 0.59 0.63 0.00 0.02 1.35 -1.91 -1.42 112.91 112.17 1pax h THR 866 Ca -0.49 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1pax h THR 866 Cb 1.29 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1pax h THR 866 CO 0.54 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 176.18 1pax n THR 867 N -3.94 0.91 0.58 6.82 -2.24 -1.26 -2.52 114.28 112.63 1pax n THR 867 Ca -0.03 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1pax n THR 867 Cb 0.11 -1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 67.24 1pax n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pax n ASN 868 N -1.89 0.61 0.24 3.42 3.02 -0.53 -4.30 115.26 115.81 1pax n ASN 868 Ca 0.03 -0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.35 1pax n ASN 868 Cb 0.20 0.92 0.58 0.00 -0.61 0.00 0.00 39.78 40.87 1pax n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1pax h PHE 869 N 0.00 0.00 -0.05 3.10 -1.00 -1.59 -0.44 116.94 116.96 1pax h PHE 869 Ca 0.00 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 1pax h PHE 869 Cb 0.72 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1pax h PHE 869 CO 0.00 0.16 -0.65 0.00 -1.61 0.00 0.00 178.31 176.21 1pax h ALA 870 N 1.84 0.80 -0.07 2.45 0.00 -1.80 -1.16 119.26 121.32 1pax h ALA 870 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1pax h ALA 870 Cb 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pax h ALA 870 CO 0.02 0.76 -0.39 0.78 0.00 0.00 0.00 179.25 180.42 1pax h GLY 871 N 1.56 0.43 0.99 0.00 0.00 -1.60 -2.14 103.07 102.31 1pax h GLY 871 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1pax h GLY 871 CO 0.10 0.55 0.23 -2.22 0.00 0.00 0.00 176.54 175.20 1pax h ILE 872 N -0.08 1.10 -0.37 2.60 2.04 -1.04 0.12 117.51 121.90 1pax h ILE 872 Ca -0.03 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1pax h ILE 872 Cb 1.04 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1pax h ILE 872 CO 0.08 0.10 -0.21 -0.07 0.00 0.00 0.00 178.15 178.05 1pax h LEU 873 N 0.48 0.71 0.16 1.44 3.38 -1.26 1.00 115.31 121.22 1pax h LEU 873 Ca 0.13 -0.24 -0.32 0.00 0.09 0.00 0.00 57.88 57.54 1pax h LEU 873 Cb -0.03 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pax h LEU 873 CO -0.03 0.91 -1.52 0.77 0.09 0.00 0.00 178.44 178.66 1pax h SER 874 N 0.62 0.53 0.00 -0.43 4.64 -1.27 -3.38 113.55 114.26 1pax h SER 874 Ca 0.09 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1pax h SER 874 Cb 0.69 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1pax h SER 874 CO 0.05 1.55 -1.58 0.00 -0.87 0.00 0.00 176.83 175.99 1pax n GLN 875 N -3.54 0.65 0.00 4.77 1.13 0.02 -4.99 117.38 115.42 1pax n GLN 875 Ca -0.17 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 1pax n GLN 875 Cb 1.06 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.97 1pax n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pax n GLY 876 N 1.41 -1.28 3.77 1.08 0.00 0.35 -4.84 105.19 105.69 1pax n GLY 876 Ca -0.01 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1pax n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pax s LEU 877 N -3.02 4.27 0.06 0.99 1.43 -1.26 -4.52 118.68 116.63 1pax s LEU 877 Ca 0.00 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 1pax s LEU 877 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1pax s LEU 877 CO 0.00 -0.39 0.06 0.00 0.23 0.00 0.00 176.35 176.25 1pax s ARG 878 N -2.15 0.70 0.43 1.70 1.70 -1.26 -4.92 118.95 115.15 1pax s ARG 878 Ca 0.53 -1.10 -0.15 0.00 -0.47 0.00 0.00 55.73 54.54 1pax s ARG 878 Cb -0.25 0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.31 1pax s ARG 878 CO 0.32 -0.17 0.87 0.96 -1.08 0.00 0.00 175.30 176.19 1pax s ILE 879 N -3.86 4.62 0.64 4.99 -0.00 -1.26 -4.85 121.20 121.48 1pax s ILE 879 Ca 0.06 1.01 -0.18 0.00 -0.00 0.00 0.00 60.65 61.54 1pax s ILE 879 Cb 0.06 -3.69 -0.01 0.00 -0.00 0.00 0.00 42.46 38.82 1pax s ILE 879 CO -0.10 -0.49 1.28 0.00 -0.00 0.00 0.00 174.94 175.63 1pax s ALA 880 N -2.36 2.40 1.00 2.27 0.00 -1.26 -4.98 121.76 118.83 1pax s ALA 880 Ca 0.56 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1pax s ALA 880 Cb -0.10 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 19.67 1pax s ALA 880 CO 0.26 -1.53 1.08 -1.25 0.00 0.00 0.00 175.76 174.32 1pax s PRO 881 N -3.37 0.37 0.48 0.00 0.04 -1.26 -4.91 135.00 126.35 1pax s PRO 881 Ca 0.82 0.95 0.25 0.00 0.04 0.00 0.00 61.00 63.06 1pax s PRO 881 Cb -0.36 -1.70 1.29 0.00 0.04 0.00 0.00 34.50 33.77 1pax s PRO 881 CO 0.39 -2.88 1.86 -1.35 0.04 0.00 0.00 177.00 175.06 1pax h PRO 882 N -2.02 0.19 -0.03 0.56 0.11 -2.02 -2.13 132.00 126.67 1pax h PRO 882 Ca -0.53 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 1pax h PRO 882 Cb 1.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1pax h PRO 882 CO 0.51 0.13 -0.52 0.93 -0.21 0.00 0.00 178.00 178.83 1pax h GLU 883 N 0.20 0.08 -6.95 1.05 3.07 -1.91 -3.46 114.58 106.66 1pax h GLU 883 Ca 0.46 -0.04 -0.54 0.00 -0.50 0.00 0.00 59.36 58.74 1pax h GLU 883 Cb 1.47 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 29.49 1pax h GLU 883 CO -0.10 0.58 0.72 0.00 -1.40 0.00 0.00 179.01 178.81 1pax s ALA 884 N -3.87 3.45 0.18 3.43 0.00 -0.80 -4.04 121.76 120.10 1pax s ALA 884 Ca -0.03 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1pax s ALA 884 Cb 0.13 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1pax s ALA 884 CO 0.76 -1.01 1.21 -1.25 0.00 0.00 0.00 175.76 175.48 1pax s PRO 885 N -2.16 4.47 0.57 0.00 0.04 -1.26 -4.88 135.00 131.79 1pax s PRO 885 Ca 0.55 1.89 0.27 0.00 0.04 0.00 0.00 61.00 63.74 1pax s PRO 885 Cb -0.44 -3.24 1.59 0.00 0.04 0.00 0.00 34.50 32.45 1pax s PRO 885 CO 0.58 -0.12 2.11 0.28 0.04 0.00 0.00 177.00 179.90 1pax h VAL 886 N 3.82 0.59 0.00 -0.36 2.07 -1.94 -1.37 116.25 119.06 1pax h VAL 886 Ca -0.44 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1pax h VAL 886 Cb 1.21 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1pax h VAL 886 CO 0.76 0.00 -0.16 0.74 0.02 0.00 0.00 177.57 178.93 1pax h THR 887 N 0.00 0.53 0.00 2.57 2.02 -1.94 -2.93 112.91 113.16 1pax h THR 887 Ca 0.08 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1pax h THR 887 Cb 0.42 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1pax h THR 887 CO -0.00 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1pax n GLY 888 N -0.36 -0.71 3.01 2.16 0.00 -0.52 -4.59 105.19 104.19 1pax n GLY 888 Ca -0.01 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1pax n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pax s TYR 889 N -3.09 1.15 0.18 1.61 1.51 -1.11 -4.91 117.35 112.69 1pax s TYR 889 Ca 0.02 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1pax s TYR 889 Cb 0.04 -0.84 0.13 0.00 -0.11 0.00 0.00 41.96 41.18 1pax s TYR 889 CO 0.11 -0.16 1.66 1.98 -1.11 0.00 0.00 175.55 178.02 1pax h MET 890 N 6.62 -0.00 -0.45 -0.62 4.05 -1.85 -2.58 114.93 120.09 1pax h MET 890 Ca -0.33 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 58.85 1pax h MET 890 Cb 1.17 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.83 1pax h MET 890 CO 0.48 -0.00 0.01 1.19 0.23 0.00 0.00 176.91 178.82 1pax n PHE 891 N -5.34 1.39 -0.55 1.39 3.72 -1.26 -2.63 117.46 114.19 1pax n PHE 891 Ca 0.04 -1.67 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 1pax n PHE 891 Cb 0.25 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 1pax n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pax n GLY 892 N -1.13 -2.97 3.49 1.37 0.00 -0.98 -4.07 105.19 100.91 1pax n GLY 892 Ca 0.37 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1pax n GLY 892 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pax n LYS 893 N -0.30 3.31 0.00 1.61 5.02 -1.26 -4.76 118.16 121.78 1pax n LYS 893 Ca 0.00 -3.63 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 1pax n LYS 893 Cb 0.00 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 1pax n LYS 893 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pax n GLY 894 N 4.54 5.66 3.12 0.72 0.00 -1.26 -4.66 105.19 113.30 1pax n GLY 894 Ca 0.41 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1pax n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pax s ILE 895 N 1.57 1.88 0.01 -0.61 1.01 0.03 -4.58 121.20 120.51 1pax s ILE 895 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1pax s ILE 895 Cb 0.00 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1pax s ILE 895 CO 0.00 0.51 0.33 -0.31 0.00 0.00 0.00 174.94 175.47 1pax s TYR 896 N 1.05 3.62 0.15 3.97 1.51 -1.26 -2.42 117.35 123.97 1pax s TYR 896 Ca -0.03 0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1pax s TYR 896 Cb -0.14 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1pax s TYR 896 CO -0.06 0.61 0.11 -0.06 -1.11 0.00 0.00 175.55 175.04 1pax s PHE 897 N -1.24 0.84 0.12 2.71 0.40 -0.08 -4.78 117.98 115.95 1pax s PHE 897 Ca 0.26 -1.19 -0.01 0.00 -0.60 0.00 0.00 56.93 55.40 1pax s PHE 897 Cb -0.14 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1pax s PHE 897 CO 0.14 -0.58 0.03 0.00 0.70 0.00 0.00 175.22 175.51 1pax s ALA 898 N -4.06 0.85 -0.81 5.36 0.00 -0.63 -1.17 121.76 121.30 1pax s ALA 898 Ca 0.26 -1.43 0.12 0.00 0.00 0.00 0.00 51.96 50.91 1pax s ALA 898 Cb 0.07 0.68 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 1pax s ALA 898 CO 0.04 -0.43 0.59 -0.40 0.00 0.00 0.00 175.76 175.55 1pax n ASP 899 N -0.07 0.93 -4.38 0.00 5.68 -1.26 -1.12 116.55 116.32 1pax n ASP 899 Ca -0.08 -0.96 -0.36 0.00 -0.50 0.00 0.00 54.79 52.89 1pax n ASP 899 Cb 0.63 0.74 -0.13 0.00 -1.14 0.00 0.00 41.12 41.22 1pax n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1pax s MET 900 N -1.82 3.53 0.55 0.11 -1.94 -1.26 -4.83 119.30 113.63 1pax s MET 900 Ca 0.07 -0.55 0.25 0.00 -1.71 0.00 0.00 55.69 53.76 1pax s MET 900 Cb 0.09 -3.16 1.44 0.00 2.01 0.00 0.00 34.83 35.21 1pax s MET 900 CO 0.39 -0.17 2.02 -0.24 -0.01 0.00 0.00 175.02 177.01 1pax h VAL 901 N 5.60 0.68 0.06 -6.03 3.04 -1.79 -1.89 116.25 115.92 1pax h VAL 901 Ca -0.40 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1pax h VAL 901 Cb 1.17 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1pax h VAL 901 CO 0.59 0.00 -0.10 -1.28 -1.01 0.00 0.00 177.57 175.78 1pax h SER 902 N 0.00 -0.26 -0.76 3.17 0.87 -1.91 -0.23 113.55 114.42 1pax h SER 902 Ca 0.19 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1pax h SER 902 Cb 0.81 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1pax h SER 902 CO -0.00 -0.15 0.36 0.50 -0.53 0.00 0.00 176.83 177.01 1pax h LYS 903 N -0.20 1.10 -0.20 2.24 3.64 -1.66 -3.12 116.57 118.37 1pax h LYS 903 Ca 0.02 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 1pax h LYS 903 Cb 0.21 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1pax h LYS 903 CO -0.05 0.86 -0.46 0.77 -2.27 0.00 0.00 179.45 178.30 1pax h SER 904 N 1.08 0.75 -0.97 4.20 0.02 -1.55 -3.22 113.55 113.85 1pax h SER 904 Ca 0.26 -0.56 0.23 0.00 -0.84 0.00 0.00 61.79 60.88 1pax h SER 904 Cb 0.13 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 1pax h SER 904 CO -0.03 1.17 0.64 0.00 -1.14 0.00 0.00 176.83 177.47 1pax h ALA 905 N 0.59 2.23 0.00 3.77 0.00 -0.98 0.16 119.26 125.03 1pax h ALA 905 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pax h ALA 905 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pax h ALA 905 CO 0.10 -0.56 -0.04 -0.91 0.00 0.00 0.00 179.25 177.84 1pax h ASN 906 N 0.41 0.00 0.04 0.00 2.35 -1.55 -1.12 115.58 115.71 1pax h ASN 906 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1pax h ASN 906 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1pax h ASN 906 CO -0.22 0.04 -0.02 -1.22 -1.65 0.00 0.00 177.43 174.35 1pax n TYR 907 N -3.70 0.00 0.20 1.19 4.01 0.56 -3.32 117.16 116.10 1pax n TYR 907 Ca -0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1pax n TYR 907 Cb 0.13 -0.02 0.26 0.00 -0.31 0.00 0.00 39.34 39.39 1pax n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pax n HIS 909 N -3.21 -2.06 -2.90 0.00 8.25 -1.21 -4.21 115.22 109.87 1pax n HIS 909 Ca 0.02 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 58.03 1pax n HIS 909 Cb 0.54 -4.15 0.06 0.00 1.12 0.00 0.00 29.99 27.56 1pax n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1pax s THR 910 N -3.53 2.37 0.35 1.59 -4.23 -1.26 -5.02 115.64 105.91 1pax s THR 910 Ca 0.23 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1pax s THR 910 Cb -0.06 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.35 1pax s THR 910 CO 0.80 0.00 0.66 -1.54 -0.54 0.00 0.00 174.62 174.00 1pax n SER 911 N -2.29 -1.91 -0.08 3.99 3.41 -0.33 -4.97 113.62 111.43 1pax n SER 911 Ca 0.13 -2.54 -0.03 0.00 -0.26 0.00 0.00 58.87 56.17 1pax n SER 911 Cb 0.61 3.24 0.19 0.00 -0.26 0.00 0.00 64.21 67.99 1pax n SER 911 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1pax h GLN 912 N 0.00 0.72 0.00 4.33 -0.00 -1.98 -2.16 115.11 116.02 1pax h GLN 912 Ca -0.30 -0.19 -0.06 0.00 -0.00 0.00 0.00 58.65 58.10 1pax h GLN 912 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.52 1pax h GLN 912 CO 0.38 0.74 -0.30 0.00 0.00 0.00 0.00 178.83 179.65 1pax h ALA 913 N 1.31 0.90 -2.28 3.38 0.00 -2.00 -3.37 119.26 117.20 1pax h ALA 913 Ca 0.13 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 1pax h ALA 913 Cb 0.44 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 17.82 1pax h ALA 913 CO 0.02 0.38 -0.90 0.34 0.00 0.00 0.00 179.25 179.08 1pax s ASP 914 N -6.29 1.48 0.00 0.00 2.15 -1.01 -5.03 116.67 107.97 1pax s ASP 914 Ca 0.02 -2.72 0.30 0.00 0.43 0.00 0.00 52.55 50.58 1pax s ASP 914 Cb 0.09 -0.20 1.40 0.00 -0.30 0.00 0.00 42.92 43.90 1pax s ASP 914 CO 0.68 -0.19 1.97 -0.81 -0.17 0.00 0.00 175.17 176.64 1pax n PRO 915 N 3.16 0.59 -3.48 4.34 -0.04 -0.84 -1.19 135.00 137.54 1pax n PRO 915 Ca 0.25 -0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 63.22 1pax n PRO 915 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1pax n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pax s ILE 916 N -2.49 5.25 0.20 0.52 -1.09 -1.26 -1.00 121.20 121.33 1pax s ILE 916 Ca 0.30 0.55 0.09 0.00 -2.23 0.00 0.00 60.65 59.36 1pax s ILE 916 Cb 0.20 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1pax s ILE 916 CO 0.46 0.29 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.45 1pax s GLY 917 N 1.00 1.53 -0.00 6.18 0.00 -0.32 -4.96 107.32 110.75 1pax s GLY 917 Ca 0.16 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1pax s GLY 917 CO 0.07 -1.67 -0.09 1.08 0.00 0.00 0.00 173.10 172.48 1pax s LEU 918 N -2.94 3.06 -0.04 0.66 1.43 -1.26 -0.48 118.68 119.11 1pax s LEU 918 Ca 0.20 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1pax s LEU 918 Cb -0.05 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1pax s LEU 918 CO 0.09 0.29 0.18 -0.51 0.23 0.00 0.00 176.35 176.62 1pax s ILE 919 N -0.95 0.03 0.11 -0.59 2.07 -0.86 -4.12 121.20 116.89 1pax s ILE 919 Ca 0.16 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1pax s ILE 919 Cb -0.11 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1pax s ILE 919 CO 0.06 -0.14 0.18 -0.76 -1.91 0.00 0.00 174.94 172.37 1pax s LEU 920 N -0.45 4.08 -0.19 8.50 1.43 0.15 -0.77 118.68 131.43 1pax s LEU 920 Ca -0.05 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1pax s LEU 920 Cb -0.04 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.52 1pax s LEU 920 CO 0.01 0.12 -0.11 -0.76 0.23 0.00 0.00 176.35 175.84 1pax s LEU 921 N -2.79 2.21 0.12 1.79 1.43 -0.38 -1.42 118.68 119.64 1pax s LEU 921 Ca 0.32 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1pax s LEU 921 Cb -0.12 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1pax s LEU 921 CO 0.25 -0.13 -0.23 -0.83 0.23 0.00 0.00 176.35 175.65 1pax s GLY 922 N 1.40 1.41 -0.23 -3.19 0.00 -0.12 -1.11 107.32 105.48 1pax s GLY 922 Ca -0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 44.72 43.12 1pax s GLY 922 CO -0.09 -1.38 0.73 1.85 0.00 0.00 0.00 173.10 174.22 1pax s GLU 923 N -2.10 4.18 -0.12 2.90 2.12 0.38 -1.27 118.70 124.80 1pax s GLU 923 Ca 0.11 0.76 0.03 0.00 0.36 0.00 0.00 54.97 56.23 1pax s GLU 923 Cb -0.09 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.68 1pax s GLU 923 CO 0.05 -0.40 -0.21 0.54 -0.54 0.00 0.00 175.26 174.70 1pax s VAL 924 N 2.45 1.93 -0.94 3.70 0.11 0.16 -1.30 120.40 126.51 1pax s VAL 924 Ca 0.31 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 1pax s VAL 924 Cb -0.16 -1.70 0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1pax s VAL 924 CO 0.09 0.53 1.39 0.00 -3.33 0.00 0.00 175.10 173.77 1pax s ALA 925 N 0.68 2.75 0.03 1.54 0.00 -0.46 -1.90 121.76 124.39 1pax s ALA 925 Ca -0.11 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 49.68 1pax s ALA 925 Cb -0.16 -4.43 -0.33 0.00 0.00 0.00 0.00 23.12 18.20 1pax s ALA 925 CO 0.02 -3.50 0.98 -0.07 0.00 0.00 0.00 175.76 173.19 1pax h LEU 926 N 12.73 0.70 0.00 0.00 3.38 -1.65 -3.46 115.31 127.01 1pax h LEU 926 Ca 0.07 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1pax h LEU 926 Cb 1.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pax h LEU 926 CO 1.37 1.63 0.00 0.61 0.09 0.00 0.00 178.44 182.14 1pax n GLY 927 N 1.69 3.19 3.61 0.83 0.00 -0.66 -3.51 105.19 110.34 1pax n GLY 927 Ca -0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1pax n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pax s ASN 928 N -4.00 6.72 0.13 1.61 0.01 -1.26 -4.71 114.94 113.44 1pax s ASN 928 Ca 0.00 0.67 -0.23 0.00 -0.71 0.00 0.00 52.86 52.58 1pax s ASN 928 Cb 0.00 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.11 1pax s ASN 928 CO 0.00 -0.84 0.70 -0.04 -1.51 0.00 0.00 177.10 175.41 1pax s MET 929 N 3.46 4.44 -0.65 -0.60 -1.94 -1.26 -0.97 119.30 121.78 1pax s MET 929 Ca 0.39 1.01 -0.19 0.00 -1.71 0.00 0.00 55.69 55.19 1pax s MET 929 Cb -0.12 -3.26 0.11 0.00 2.01 0.00 0.00 34.83 33.57 1pax s MET 929 CO 0.18 0.59 0.79 -0.47 -0.01 0.00 0.00 175.02 176.09 1pax s TYR 930 N -1.11 3.01 -0.08 -0.03 5.04 -0.02 -4.90 117.35 119.26 1pax s TYR 930 Ca 0.33 -1.01 -0.30 0.00 -2.44 0.00 0.00 57.07 53.65 1pax s TYR 930 Cb -0.22 -4.07 -0.02 0.00 0.35 0.00 0.00 41.96 38.00 1pax s TYR 930 CO 0.24 -1.35 1.15 -1.21 -1.34 0.00 0.00 175.55 173.03 1pax s GLU 931 N 2.72 4.36 0.09 4.97 2.02 -1.26 -1.97 118.70 129.63 1pax s GLU 931 Ca 0.15 1.58 0.08 0.00 0.02 0.00 0.00 54.97 56.80 1pax s GLU 931 Cb -0.20 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1pax s GLU 931 CO 0.04 -0.43 -0.20 -0.51 0.02 0.00 0.00 175.26 174.18 1pax s LEU 932 N 2.27 2.27 -0.00 1.80 1.43 -0.43 -4.96 118.68 121.06 1pax s LEU 932 Ca 0.53 -0.64 0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1pax s LEU 932 Cb -0.22 -0.87 -0.13 0.00 0.03 0.00 0.00 46.19 45.00 1pax s LEU 932 CO 0.20 0.07 0.48 0.29 0.23 0.00 0.00 176.35 177.61 1pax n LYS 933 N 1.29 2.91 -4.20 1.70 5.02 -1.26 -1.05 118.16 122.56 1pax n LYS 933 Ca -0.19 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1pax n LYS 933 Cb 0.54 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.37 1pax n LYS 933 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pax s ASN 934 N -2.21 0.48 0.80 4.39 4.22 -1.26 -1.86 114.94 119.51 1pax s ASN 934 Ca 0.04 -1.29 -0.14 0.00 -2.14 0.00 0.00 52.86 49.33 1pax s ASN 934 Cb 0.09 0.29 0.06 0.00 1.28 0.00 0.00 41.25 42.97 1pax s ASN 934 CO 0.48 -0.75 1.07 0.00 -2.04 0.00 0.00 177.10 175.86 1pax n ALA 935 N -0.23 -0.34 -3.15 3.54 0.00 -1.26 -5.03 120.51 114.04 1pax n ALA 935 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.14 1pax n ALA 935 Cb 0.65 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 1pax n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pax s SER 936 N -2.02 -0.93 -1.09 0.00 0.15 -1.08 -5.05 113.70 103.69 1pax s SER 936 Ca 0.72 0.48 -0.11 0.00 0.70 0.00 0.00 55.95 57.74 1pax s SER 936 Cb -0.30 1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 65.68 1pax s SER 936 CO 0.52 -0.17 2.26 1.41 1.20 0.00 0.00 173.24 178.46 1pax n HIS 937 N 5.42 1.94 -1.60 3.44 8.25 -1.25 -3.88 115.22 127.53 1pax n HIS 937 Ca -0.02 -2.28 -0.46 0.00 -0.26 0.00 0.00 57.72 54.70 1pax n HIS 937 Cb 0.53 -1.95 -0.03 0.00 1.12 0.00 0.00 29.99 29.67 1pax n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1pax n ILE 938 N 4.57 1.37 0.05 1.59 5.41 -1.26 -4.76 119.36 126.34 1pax n ILE 938 Ca 0.53 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1pax n ILE 938 Cb 0.24 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1pax n ILE 938 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1pax n THR 939 N 1.03 0.71 -3.92 1.39 -1.04 -1.26 -4.39 114.28 106.80 1pax n THR 939 Ca 0.12 0.23 -0.31 0.00 -2.04 0.00 0.00 64.05 62.05 1pax n THR 939 Cb 0.29 -1.34 -0.04 0.00 -1.82 0.00 0.00 70.33 67.42 1pax n THR 939 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pax s LYS 940 N -2.00 3.44 -0.12 -2.82 1.02 -1.26 -5.09 119.74 112.92 1pax s LYS 940 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1pax s LYS 940 Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1pax s LYS 940 CO 0.00 0.62 0.01 -1.17 -0.92 0.00 0.00 175.35 173.89 1pax s LEU 941 N -2.39 3.60 0.53 3.17 2.96 -1.26 -5.08 118.68 120.21 1pax s LEU 941 Ca 0.33 0.10 -0.21 0.00 -0.22 0.00 0.00 54.13 54.13 1pax s LEU 941 Cb -0.13 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 1pax s LEU 941 CO 0.26 0.31 1.15 -2.65 -1.32 0.00 0.00 176.35 174.10 1pax n PRO 942 N 2.60 1.37 -1.70 0.98 -0.02 -1.26 -4.88 135.00 132.08 1pax n PRO 942 Ca -0.18 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 1pax n PRO 942 Cb 0.53 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1pax n PRO 942 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pax n LYS 943 N -0.71 2.35 -0.49 -0.52 4.76 -1.26 -1.61 118.16 120.68 1pax n LYS 943 Ca 0.11 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1pax n LYS 943 Cb 0.44 -2.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 1pax n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pax n GLY 944 N 2.36 0.85 3.71 0.72 0.00 -1.26 -5.05 105.19 106.52 1pax n GLY 944 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1pax n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pax s LYS 945 N -0.46 2.97 -0.00 1.61 -0.14 -0.63 -4.55 119.74 118.53 1pax s LYS 945 Ca 0.00 -0.46 0.05 0.00 -1.36 0.00 0.00 55.97 54.20 1pax s LYS 945 Cb 0.00 -2.79 -0.06 0.00 -1.68 0.00 0.00 37.83 33.30 1pax s LYS 945 CO 0.00 0.68 0.17 0.72 -0.76 0.00 0.00 175.35 176.16 1pax n HIS 946 N 1.77 0.00 -3.82 3.18 8.25 -0.14 -4.83 115.22 119.63 1pax n HIS 946 Ca -0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 1pax n HIS 946 Cb 0.53 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1pax n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pax s SER 947 N -1.81 -0.12 0.04 0.41 1.04 -1.23 -4.64 113.70 107.39 1pax s SER 947 Ca 0.01 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.78 1pax s SER 947 Cb 0.03 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 1pax s SER 947 CO 0.20 -1.26 -0.12 -0.69 0.98 0.00 0.00 173.24 172.34 1pax s VAL 948 N -3.02 3.21 -0.21 5.02 1.01 0.01 -0.84 120.40 125.57 1pax s VAL 948 Ca 0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1pax s VAL 948 Cb -0.04 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 34.01 1pax s VAL 948 CO 0.07 0.32 0.02 -0.75 0.00 0.00 0.00 175.10 174.76 1pax s LYS 949 N -1.56 0.81 -0.13 2.72 2.20 -0.83 -1.58 119.74 121.36 1pax s LYS 949 Ca 0.17 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1pax s LYS 949 Cb -0.11 -2.18 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1pax s LYS 949 CO 0.08 -0.65 1.06 0.20 -0.36 0.00 0.00 175.35 175.67 1pax s GLY 950 N 1.77 2.13 0.04 5.54 0.00 0.01 -1.31 107.32 115.50 1pax s GLY 950 Ca -0.01 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.81 1pax s GLY 950 CO -0.09 2.06 0.88 1.08 0.00 0.00 0.00 173.10 177.04 1pax s LEU 951 N 2.39 4.43 0.41 0.66 1.43 -0.21 -1.97 118.68 125.81 1pax s LEU 951 Ca 0.49 1.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1pax s LEU 951 Cb -0.19 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1pax s LEU 951 CO 0.16 -0.11 0.20 -0.83 0.23 0.00 0.00 176.35 176.00 1pax s GLY 952 N 0.37 2.29 0.36 -3.19 0.00 -1.26 -4.24 107.32 101.66 1pax s GLY 952 Ca 0.45 -2.07 0.26 0.00 0.00 0.00 0.00 44.72 43.35 1pax s GLY 952 CO 0.26 -1.88 1.73 0.50 0.00 0.00 0.00 173.10 173.71 1pax h LYS 953 N 1.39 0.00 -4.51 2.90 1.57 -1.20 -3.43 116.57 113.30 1pax h LYS 953 Ca -0.43 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.00 1pax h LYS 953 Cb 1.25 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.28 1pax h LYS 953 CO 0.68 0.00 -0.76 0.99 -0.57 0.00 0.00 179.45 179.79 1pax s THR 954 N -3.25 0.55 0.15 -0.16 2.01 -0.55 -1.59 115.64 112.80 1pax s THR 954 Ca 0.07 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 1pax s THR 954 Cb 0.08 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 72.17 1pax s THR 954 CO 0.60 0.12 0.49 0.00 -0.69 0.00 0.00 174.62 175.15 1pax s ALA 955 N -0.23 -1.16 0.44 7.40 0.00 -0.45 -4.09 121.76 123.66 1pax s ALA 955 Ca 0.02 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1pax s ALA 955 Cb -0.03 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 1pax s ALA 955 CO -0.00 -0.72 1.36 -2.14 0.00 0.00 0.00 175.76 174.26 1pax s PRO 956 N -3.80 3.78 -0.25 0.00 0.02 -1.26 -0.49 135.00 133.00 1pax s PRO 956 Ca 0.03 2.27 -0.32 0.00 0.02 0.00 0.00 61.00 63.00 1pax s PRO 956 Cb 0.00 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 1pax s PRO 956 CO -0.11 -0.69 2.15 -3.47 -0.33 0.00 0.00 177.00 174.55 1pax n ASP 957 N -0.11 2.81 0.16 2.53 -0.08 0.27 -4.78 116.55 117.35 1pax n ASP 957 Ca 0.05 0.43 0.10 0.00 -1.51 0.00 0.00 54.79 53.87 1pax n ASP 957 Cb 0.43 -1.40 0.56 0.00 2.34 0.00 0.00 41.12 43.05 1pax n ASP 957 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1pax n PRO 958 N 8.14 0.13 -0.08 -0.67 -0.04 -1.26 -2.20 135.00 139.01 1pax n PRO 958 Ca 0.33 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1pax n PRO 958 Cb 0.33 -1.98 -0.05 0.00 -0.04 0.00 0.00 33.50 31.76 1pax n PRO 958 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pax h THR 959 N 0.00 1.29 0.00 0.52 2.02 -1.99 -3.24 112.91 111.51 1pax h THR 959 Ca 0.00 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1pax h THR 959 Cb 0.08 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1pax h THR 959 CO 0.00 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.23 1pax n ALA 960 N -2.39 2.49 -1.65 6.16 0.00 -0.94 -4.93 120.51 119.25 1pax n ALA 960 Ca -0.04 -0.15 -0.48 0.00 0.00 0.00 0.00 53.44 52.77 1pax n ALA 960 Cb 0.31 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 1pax n ALA 960 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pax n THR 961 N -1.18 0.00 -4.47 0.00 -1.04 -1.22 -4.49 114.28 101.88 1pax n THR 961 Ca 0.17 -0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.92 1pax n THR 961 Cb 0.18 -1.34 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 1pax n THR 961 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1pax n THR 962 N 3.18 0.00 -4.28 12.58 -1.04 -0.80 -4.94 114.28 118.98 1pax n THR 962 Ca 0.17 -1.96 -0.24 0.00 -2.04 0.00 0.00 64.05 59.99 1pax n THR 962 Cb 0.26 0.30 -0.12 0.00 -1.82 0.00 0.00 70.33 68.95 1pax n THR 962 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pax s THR 963 N -2.47 1.69 -0.30 12.58 2.01 -1.26 0.62 115.64 128.51 1pax s THR 963 Ca 0.05 -1.56 -0.00 0.00 0.31 0.00 0.00 61.69 60.49 1pax s THR 963 Cb -0.00 -1.56 0.14 0.00 0.01 0.00 0.00 72.50 71.09 1pax s THR 963 CO 0.03 -0.09 0.30 -0.22 -0.69 0.00 0.00 174.62 173.96 1pax s LEU 964 N -1.96 -0.21 -1.11 4.42 0.20 -0.27 -4.86 118.68 114.90 1pax s LEU 964 Ca 0.07 -0.86 -0.07 0.00 0.69 0.00 0.00 54.13 53.96 1pax s LEU 964 Cb -0.10 0.50 0.01 0.00 -0.43 0.00 0.00 46.19 46.17 1pax s LEU 964 CO 0.04 -0.38 0.90 -0.67 -0.29 0.00 0.00 176.35 175.96 1pax n ASP 965 N 5.19 -5.50 0.00 3.68 2.03 -1.26 -2.61 116.55 118.08 1pax n ASP 965 Ca -0.01 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1pax n ASP 965 Cb 0.46 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 1pax n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pax n GLY 966 N -1.68 1.05 3.64 0.27 0.00 -1.26 -5.03 105.19 102.18 1pax n GLY 966 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pax n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pax s VAL 967 N -3.57 4.46 0.11 1.61 1.01 -1.07 -4.90 120.40 118.04 1pax s VAL 967 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1pax s VAL 967 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 1pax s VAL 967 CO 0.00 0.54 1.19 -1.61 0.00 0.00 0.00 175.10 175.22 1pax s GLU 968 N -0.22 4.47 -0.33 2.72 2.02 -0.71 -1.11 118.70 125.53 1pax s GLU 968 Ca 0.06 1.80 0.01 0.00 0.02 0.00 0.00 54.97 56.87 1pax s GLU 968 Cb -0.12 -3.30 0.08 0.00 0.10 0.00 0.00 34.13 30.89 1pax s GLU 968 CO 0.02 -0.17 0.03 0.08 0.02 0.00 0.00 175.26 175.24 1pax s VAL 969 N 0.57 2.57 -1.10 2.63 1.01 0.20 -0.88 120.40 125.41 1pax s VAL 969 Ca 0.56 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.48 1pax s VAL 969 Cb -0.30 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1pax s VAL 969 CO 0.32 -0.40 2.30 -2.65 0.00 0.00 0.00 175.10 174.66 1pax n PRO 970 N 4.42 2.44 -0.00 2.72 -0.02 -1.26 -1.90 135.00 141.40 1pax n PRO 970 Ca -0.04 -1.74 0.06 0.00 -2.02 0.00 0.00 63.50 59.76 1pax n PRO 970 Cb 0.42 -2.64 0.37 0.00 -0.02 0.00 0.00 33.50 31.64 1pax n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1pax n LEU 971 N 4.55 0.06 -4.71 2.45 -0.00 -1.26 -4.74 117.00 113.36 1pax n LEU 971 Ca 0.54 -0.03 -0.31 0.00 -0.00 0.00 0.00 56.01 56.21 1pax n LEU 971 Cb 0.20 -0.01 0.14 0.00 -0.00 0.00 0.00 43.42 43.76 1pax n LEU 971 CO 0.79 0.01 0.69 -0.83 -0.00 0.00 0.00 177.39 178.05 1pax s GLY 972 N -1.39 1.69 0.45 1.47 0.00 -1.26 -4.62 107.32 103.66 1pax s GLY 972 Ca 0.19 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 45.17 1pax s GLY 972 CO 0.15 0.88 1.14 0.21 0.00 0.00 0.00 173.10 175.47 1pax s ASN 973 N -2.91 6.26 -0.23 1.64 3.84 -1.26 -3.88 114.94 118.40 1pax s ASN 973 Ca 0.65 2.23 -0.29 0.00 0.21 0.00 0.00 52.86 55.66 1pax s ASN 973 Cb -0.21 -2.60 -0.06 0.00 -0.55 0.00 0.00 41.25 37.83 1pax s ASN 973 CO 0.57 -0.85 2.21 0.61 -2.79 0.00 0.00 177.10 176.86 1pax n GLY 974 N 0.37 0.96 3.54 1.21 0.00 -1.23 -0.57 105.19 109.48 1pax n GLY 974 Ca 0.07 0.81 -0.26 0.00 0.00 0.00 0.00 46.02 46.64 1pax n GLY 974 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pax s ILE 975 N 8.06 2.98 -0.04 -0.61 1.09 0.36 -4.90 121.20 128.14 1pax s ILE 975 Ca 1.02 -1.81 -0.28 0.00 -1.10 0.00 0.00 60.65 58.48 1pax s ILE 975 Cb -0.42 -2.48 -0.03 0.00 -1.06 0.00 0.00 42.46 38.47 1pax s ILE 975 CO 0.38 -0.15 0.93 -0.94 -0.10 0.00 0.00 174.94 175.05 1pax s SER 976 N -2.90 7.25 0.75 3.58 1.04 -1.26 -1.34 113.70 120.81 1pax s SER 976 Ca 0.25 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 58.08 1pax s SER 976 Cb -0.08 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.55 1pax s SER 976 CO 0.14 -0.28 1.13 0.42 0.98 0.00 0.00 173.24 175.63 1pax s THR 977 N 1.25 2.92 -0.09 2.02 -4.23 -0.62 -4.94 115.64 111.95 1pax s THR 977 Ca 0.48 0.30 0.24 0.00 -1.18 0.00 0.00 61.69 61.53 1pax s THR 977 Cb -0.20 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1pax s THR 977 CO 0.23 -0.39 1.73 1.23 -0.54 0.00 0.00 174.62 176.88 1pax h GLY 978 N -0.81 0.00 -4.27 3.99 0.00 -1.91 -3.46 103.07 96.61 1pax h GLY 978 Ca -0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 1pax h GLY 978 CO 0.65 0.00 0.72 -1.50 0.00 0.00 0.00 176.54 176.41 1pax s ILE 979 N -3.40 2.90 -0.01 2.60 2.07 -1.26 -4.93 121.20 119.17 1pax s ILE 979 Ca 0.03 0.74 0.00 0.00 -1.41 0.00 0.00 60.65 60.01 1pax s ILE 979 Cb 0.08 -3.47 -0.01 0.00 0.13 0.00 0.00 42.46 39.19 1pax s ILE 979 CO 0.65 0.11 -0.00 -0.46 -1.91 0.00 0.00 174.94 173.32 1pax n ASN 980 N 2.61 4.33 -1.02 4.50 6.94 -1.26 -4.68 115.26 126.68 1pax n ASN 980 Ca 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1pax n ASN 980 Cb 0.41 0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1pax n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1pax n ASP 981 N -2.31 2.53 -4.64 0.53 5.75 -1.26 -4.83 116.55 112.31 1pax n ASP 981 Ca -0.01 -1.66 -0.33 0.00 -0.01 0.00 0.00 54.79 52.78 1pax n ASP 981 Cb 0.51 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 1pax n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1pax s THR 982 N 0.19 3.97 -0.13 2.12 -1.32 -1.26 -4.86 115.64 114.34 1pax s THR 982 Ca 0.00 -0.51 0.14 0.00 -1.21 0.00 0.00 61.69 60.11 1pax s THR 982 Cb 0.00 -2.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1pax s THR 982 CO 0.00 0.50 1.39 0.00 -2.21 0.00 0.00 174.62 174.30 1pax s LEU 984 N -6.43 4.13 -0.09 0.00 1.43 -1.26 -4.99 118.68 111.46 1pax s LEU 984 Ca 0.03 1.46 0.12 0.00 -1.03 0.00 0.00 54.13 54.72 1pax s LEU 984 Cb 0.08 -4.07 -0.24 0.00 0.03 0.00 0.00 46.19 42.00 1pax s LEU 984 CO 0.76 -0.17 0.47 0.18 0.23 0.00 0.00 176.35 177.81 1pax n LEU 985 N -0.08 0.87 -4.18 1.79 4.77 -1.26 -2.70 117.00 116.20 1pax n LEU 985 Ca 0.03 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1pax n LEU 985 Cb 0.53 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1pax n LEU 985 CO 0.41 0.47 -0.40 -0.31 -1.33 0.00 0.00 177.39 176.23 1pax s TYR 986 N -2.57 1.01 0.60 -1.77 2.02 -1.26 -1.49 117.35 113.89 1pax s TYR 986 Ca -0.08 -0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 55.65 1pax s TYR 986 Cb 0.07 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 1pax s TYR 986 CO 0.82 -0.06 1.10 -0.80 -1.57 0.00 0.00 175.55 175.04 1pax s ASN 987 N -2.87 5.51 0.01 2.29 0.01 -1.26 -4.13 114.94 114.49 1pax s ASN 987 Ca 0.10 2.01 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 1pax s ASN 987 Cb 0.02 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1pax s ASN 987 CO -0.02 -1.36 -0.07 -1.61 -1.51 0.00 0.00 177.10 172.53 1pax s GLU 988 N -3.79 0.55 -0.09 -0.60 2.02 -0.83 -4.48 118.70 111.47 1pax s GLU 988 Ca 0.68 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.35 1pax s GLU 988 Cb -0.20 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.54 1pax s GLU 988 CO 0.35 0.13 -0.17 0.71 0.02 0.00 0.00 175.26 176.30 1pax s TYR 989 N -0.39 2.00 -0.07 1.61 1.51 -0.32 -0.81 117.35 120.89 1pax s TYR 989 Ca 0.00 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.25 1pax s TYR 989 Cb -0.04 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1pax s TYR 989 CO -0.00 -0.40 -0.16 0.42 -1.11 0.00 0.00 175.55 174.30 1pax s ILE 990 N 0.68 1.44 0.05 2.71 1.09 -0.62 -0.90 121.20 125.65 1pax s ILE 990 Ca -0.13 -0.68 0.07 0.00 -1.10 0.00 0.00 60.65 58.82 1pax s ILE 990 Cb -0.16 -1.27 -0.03 0.00 -1.06 0.00 0.00 42.46 39.94 1pax s ILE 990 CO 0.03 0.42 -0.19 0.68 -0.10 0.00 0.00 174.94 175.79 1pax s VAL 991 N 0.39 2.74 -0.60 2.92 -7.23 -1.01 -0.81 120.40 116.80 1pax s VAL 991 Ca -0.12 -1.23 0.14 0.00 -1.81 0.00 0.00 61.98 58.96 1pax s VAL 991 Cb -0.15 -2.16 0.46 0.00 0.56 0.00 0.00 36.38 35.09 1pax s VAL 991 CO 0.04 0.32 1.38 -1.22 -0.31 0.00 0.00 175.10 175.31 1pax n TYR 992 N 1.51 0.81 -3.95 2.82 4.02 -1.26 -0.79 117.16 120.32 1pax n TYR 992 Ca -0.16 -0.69 -0.23 0.00 -0.01 0.00 0.00 57.90 56.82 1pax n TYR 992 Cb 0.52 -0.19 -0.17 0.00 -0.02 0.00 0.00 39.34 39.49 1pax n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1pax s ASP 993 N -1.41 1.47 0.61 7.72 -1.08 -1.26 -4.99 116.67 117.74 1pax s ASP 993 Ca 0.35 -0.14 0.32 0.00 -0.52 0.00 0.00 52.55 52.56 1pax s ASP 993 Cb 0.25 -0.52 1.82 0.00 -1.46 0.00 0.00 42.92 43.01 1pax s ASP 993 CO 0.13 -0.13 2.15 1.62 0.52 0.00 0.00 175.17 179.47 1pax h VAL 994 N 6.23 0.33 -0.00 1.11 3.04 -1.91 -0.62 116.25 124.44 1pax h VAL 994 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1pax h VAL 994 Cb 1.14 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1pax h VAL 994 CO 0.36 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 176.81 1pax n ALA 995 N -2.23 2.70 1.90 3.17 0.00 -1.26 -3.78 120.51 121.00 1pax n ALA 995 Ca -0.00 -0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.31 1pax n ALA 995 Cb 0.25 -1.37 0.48 0.00 0.00 0.00 0.00 19.45 18.81 1pax n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pax n GLN 996 N -1.24 1.09 -4.30 0.00 6.02 -0.24 -4.35 117.38 114.37 1pax n GLN 996 Ca 0.11 -0.14 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1pax n GLN 996 Cb 0.29 -1.28 -0.14 0.00 1.02 0.00 0.00 30.24 30.14 1pax n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pax s VAL 997 N -1.97 0.78 -0.23 5.09 0.11 -1.25 -1.36 120.40 121.57 1pax s VAL 997 Ca 0.26 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1pax s VAL 997 Cb 0.12 -0.70 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1pax s VAL 997 CO 0.20 0.04 0.01 0.21 -3.33 0.00 0.00 175.10 172.23 1pax s ASN 998 N -0.69 3.46 0.38 3.54 3.04 -0.42 -4.87 114.94 119.37 1pax s ASN 998 Ca 0.01 -1.09 -0.27 0.00 0.04 0.00 0.00 52.86 51.55 1pax s ASN 998 Cb -0.06 -0.88 -0.09 0.00 -1.54 0.00 0.00 41.25 38.68 1pax s ASN 998 CO 0.00 -0.29 1.27 -0.76 -3.04 0.00 0.00 177.10 174.28 1pax s LEU 999 N 1.63 4.29 0.01 3.21 1.43 -1.26 -0.47 118.68 127.52 1pax s LEU 999 Ca -0.01 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1pax s LEU 999 Cb -0.18 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1pax s LEU 999 CO -0.09 -0.69 0.00 0.29 0.23 0.00 0.00 176.35 176.09 1pax n LYS 1000N 0.37 0.00 -4.16 1.70 4.76 -0.27 -4.72 118.16 115.84 1pax n LYS 1000Ca 0.02 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 1pax n LYS 1000Cb 0.44 -0.46 -0.11 0.00 -1.84 0.00 0.00 35.03 33.06 1pax n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pax s TYR 1001N -2.00 1.03 -0.10 2.13 2.02 -0.97 -1.44 117.35 118.02 1pax s TYR 1001Ca 0.00 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1pax s TYR 1001Cb 0.00 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 1pax s TYR 1001CO 0.00 -0.00 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.70 1pax s LEU 1002N -2.20 1.45 -0.02 -1.29 0.20 0.46 -1.25 118.68 116.02 1pax s LEU 1002Ca 0.02 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.53 1pax s LEU 1002Cb -0.05 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.80 1pax s LEU 1002CO 0.00 -0.04 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.25 1pax s LEU 1003N 1.21 3.48 -0.35 -0.68 1.02 0.05 -0.05 118.68 123.35 1pax s LEU 1003Ca -0.04 0.01 -0.13 0.00 0.02 0.00 0.00 54.13 54.00 1pax s LEU 1003Cb -0.14 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 1pax s LEU 1003CO -0.03 0.31 0.23 -0.75 0.02 0.00 0.00 176.35 176.13 1pax s LYS 1004N -1.36 3.32 0.10 1.70 2.20 0.12 -2.03 119.74 123.79 1pax s LYS 1004Ca 0.18 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 55.07 1pax s LYS 1004Cb -0.11 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1pax s LYS 1004CO 0.08 -0.52 0.02 -0.51 -0.36 0.00 0.00 175.35 174.07 1pax s LEU 1005N 1.68 3.55 -0.24 5.43 1.43 0.37 -0.06 118.68 130.84 1pax s LEU 1005Ca 0.05 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1pax s LEU 1005Cb -0.18 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1pax s LEU 1005CO 0.09 0.16 -0.11 -0.75 0.23 0.00 0.00 176.35 175.98 1pax s LYS 1006N -2.41 2.62 -0.44 1.70 2.47 0.60 -1.18 119.74 123.10 1pax s LYS 1006Ca 0.27 -1.10 -0.25 0.00 -1.56 0.00 0.00 55.97 53.33 1pax s LYS 1006Cb -0.12 -2.87 0.02 0.00 -1.46 0.00 0.00 37.83 33.41 1pax s LYS 1006CO 0.19 -0.44 0.89 -0.06 0.16 0.00 0.00 175.35 176.10 1pax s PHE 1007N 1.23 2.97 -0.44 4.03 0.40 -0.17 -0.61 117.98 125.40 1pax s PHE 1007Ca -0.03 0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 56.56 1pax s PHE 1007Cb -0.17 -3.82 0.03 0.00 0.51 0.00 0.00 43.02 39.56 1pax s PHE 1007CO -0.06 -1.01 0.46 1.21 0.70 0.00 0.00 175.22 176.52 1pax s ASN 1008N 2.15 6.19 -0.04 1.36 2.47 -0.28 -4.81 114.94 121.99 1pax s ASN 1008Ca 0.36 -0.76 -0.26 0.00 0.42 0.00 0.00 52.86 52.61 1pax s ASN 1008Cb -0.11 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.43 1pax s ASN 1008CO 0.24 -0.63 0.82 -0.31 -3.72 0.00 0.00 177.10 173.50 1pax s TYR 1009N 2.15 3.62 0.10 0.43 1.51 -1.26 0.04 117.35 123.94 1pax s TYR 1009Ca 0.12 1.44 -0.31 0.00 -1.01 0.00 0.00 57.07 57.31 1pax s TYR 1009Cb -0.18 -2.94 -0.09 0.00 -0.11 0.00 0.00 41.96 38.65 1pax s TYR 1009CO 0.13 0.05 1.57 0.15 -1.11 0.00 0.00 175.55 176.34 1pax s LYS 1010N 0.86 4.23 0.00 -0.62 1.02 -1.22 -4.99 119.74 119.03 1pax s LYS 1010Ca 0.44 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1pax s LYS 1010Cb -0.19 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1pax s LYS 1010CO 0.22 -0.64 0.44 0.25 -0.92 0.00 0.00 175.35 174.70