#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o9k h THR 645 N 0.00 1.27 -0.59 2.46 2.02 -2.05 -2.62 112.91 113.40 1o9k h THR 645 Ca 0.00 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 65.81 1o9k h THR 645 Cb 0.00 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1o9k h THR 645 CO 0.00 0.44 -0.03 0.77 0.37 0.00 0.00 175.52 177.07 1o9k h SER 646 N 0.79 1.05 -0.35 4.18 4.64 -2.05 -0.18 113.55 121.63 1o9k h SER 646 Ca 0.12 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 1o9k h SER 646 Cb 0.68 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1o9k h SER 646 CO 0.05 1.11 -0.24 0.25 -0.87 0.00 0.00 176.83 177.13 1o9k h LEU 647 N 0.96 0.82 -0.20 5.97 5.85 -1.99 -0.57 115.31 126.15 1o9k h LEU 647 Ca 0.16 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1o9k h LEU 647 Cb 0.59 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1o9k h LEU 647 CO 0.04 1.08 0.08 0.28 -0.34 0.00 0.00 178.44 179.58 1o9k h SER 648 N 0.56 0.27 -0.58 1.25 0.02 -1.38 -1.76 113.55 111.92 1o9k h SER 648 Ca 0.07 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1o9k h SER 648 Cb 0.80 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1o9k h SER 648 CO 0.07 0.35 0.38 0.25 -1.14 0.00 0.00 176.83 176.73 1o9k h LEU 649 N 0.17 0.64 -0.67 5.07 7.12 -1.00 -0.46 115.31 126.18 1o9k h LEU 649 Ca 0.07 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1o9k h LEU 649 Cb 0.16 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1o9k h LEU 649 CO -0.01 0.46 0.43 0.15 -0.13 0.00 0.00 178.44 179.34 1o9k h PHE 650 N 0.76 0.86 -0.03 1.25 3.57 -0.95 -2.12 116.94 120.28 1o9k h PHE 650 Ca 0.22 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 1o9k h PHE 650 Cb -0.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1o9k h PHE 650 CO -0.04 0.55 -0.65 1.88 -2.23 0.00 0.00 178.31 177.82 1o9k h TYR 651 N 0.91 0.17 -0.80 0.41 0.05 -0.88 -1.73 116.97 115.09 1o9k h TYR 651 Ca 0.24 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 1o9k h TYR 651 Cb -0.08 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 1o9k h TYR 651 CO -0.02 0.74 0.39 0.87 -1.05 0.00 0.00 178.16 179.08 1o9k h LYS 652 N 0.09 1.15 0.00 4.88 1.57 -0.71 -1.51 116.57 122.05 1o9k h LYS 652 Ca -0.01 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1o9k h LYS 652 Cb 1.16 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1o9k h LYS 652 CO 0.09 0.88 -0.18 0.87 -0.57 0.00 0.00 179.45 180.54 1o9k h LYS 653 N 1.14 0.12 -0.60 3.15 1.57 -1.27 -3.06 116.57 117.62 1o9k h LYS 653 Ca 0.28 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1o9k h LYS 653 Cb 0.11 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1o9k h LYS 653 CO -0.04 0.90 0.40 0.28 -0.57 0.00 0.00 179.45 180.42 1o9k h VAL 654 N -0.60 0.98 -0.58 0.50 2.07 -1.29 0.06 116.25 117.39 1o9k h VAL 654 Ca -0.02 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1o9k h VAL 654 Cb 0.96 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1o9k h VAL 654 CO 0.04 0.10 0.04 1.88 0.02 0.00 0.00 177.57 179.65 1o9k h TYR 655 N 0.57 1.08 -0.09 1.57 0.05 -1.33 0.20 116.97 119.03 1o9k h TYR 655 Ca 0.26 -0.17 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 1o9k h TYR 655 Cb 0.31 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1o9k h TYR 655 CO -0.00 0.96 -0.57 -0.09 -1.05 0.00 0.00 178.16 177.40 1o9k h ARG 656 N 0.90 0.27 -0.11 4.88 2.43 -1.28 -0.81 114.38 120.66 1o9k h ARG 656 Ca 0.17 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1o9k h ARG 656 Cb 0.50 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1o9k h ARG 656 CO 0.02 0.77 -0.62 1.25 -1.51 0.00 0.00 179.97 179.88 1o9k h LEU 657 N 0.20 0.74 -0.60 3.80 7.12 -0.75 -2.99 115.31 122.84 1o9k h LEU 657 Ca -0.00 -0.65 -0.03 0.00 0.13 0.00 0.00 57.88 57.33 1o9k h LEU 657 Cb 1.07 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.95 1o9k h LEU 657 CO 0.09 1.27 0.26 0.00 -0.13 0.00 0.00 178.44 179.93 1o9k h ALA 658 N 0.49 0.77 -0.56 1.25 0.00 -0.54 -3.10 119.26 117.57 1o9k h ALA 658 Ca -0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1o9k h ALA 658 Cb 1.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1o9k h ALA 658 CO 0.13 0.36 -0.01 -0.92 0.00 0.00 0.00 179.25 178.81 1o9k h TYR 659 N 0.82 1.09 -0.81 0.00 3.20 -1.18 -2.62 116.97 117.48 1o9k h TYR 659 Ca 0.20 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1o9k h TYR 659 Cb 0.16 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1o9k h TYR 659 CO 0.01 0.98 0.47 -0.07 -1.64 0.00 0.00 178.16 177.91 1o9k h LEU 660 N 0.89 0.98 -0.85 2.82 3.38 -1.51 -0.62 115.31 120.40 1o9k h LEU 660 Ca 0.16 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1o9k h LEU 660 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1o9k h LEU 660 CO 0.03 0.78 -0.56 0.03 0.09 0.00 0.00 178.44 178.80 1o9k h ARG 661 N 1.11 0.00 0.52 1.13 3.08 -1.46 -2.59 114.38 116.17 1o9k h ARG 661 Ca 0.29 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1o9k h ARG 661 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1o9k h ARG 661 CO -0.05 0.56 -0.25 1.25 -1.07 0.00 0.00 179.97 180.41 1o9k h LEU 662 N 0.00 -0.60 -1.20 3.04 6.46 -1.07 -2.82 115.31 119.12 1o9k h LEU 662 Ca -0.01 0.00 0.24 0.00 -0.12 0.00 0.00 57.88 57.99 1o9k h LEU 662 Cb 1.01 0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 41.00 1o9k h LEU 662 CO 0.07 -0.19 0.63 -1.13 -0.62 0.00 0.00 178.44 177.21 1o9k h ASN 663 N -1.17 0.58 0.01 1.25 -0.73 -1.17 0.29 115.58 114.65 1o9k h ASN 663 Ca -0.07 0.10 -0.10 0.00 1.87 0.00 0.00 56.30 58.09 1o9k h ASN 663 Cb 0.56 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1o9k h ASN 663 CO 0.12 0.14 -0.31 0.74 -0.37 0.00 0.00 177.43 177.76 1o9k h THR 664 N 0.53 1.28 0.00 -3.57 2.02 -1.50 -0.96 112.91 110.71 1o9k h THR 664 Ca 0.59 -1.35 -0.19 0.00 0.77 0.00 0.00 66.41 66.22 1o9k h THR 664 Cb 1.26 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 1o9k h THR 664 CO -0.35 0.42 -0.96 0.25 0.37 0.00 0.00 175.52 175.25 1o9k h LEU 665 N 0.38 0.00 -0.00 2.58 5.85 -0.38 -3.28 115.31 120.45 1o9k h LEU 665 Ca 0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 1o9k h LEU 665 Cb 0.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1o9k h LEU 665 CO 0.06 0.90 -1.06 0.00 -0.34 0.00 0.00 178.44 177.99 1o9k n GLU 667 N -3.45 0.48 -0.02 0.00 1.02 -0.38 -1.26 120.64 117.03 1o9k n GLU 667 Ca -0.03 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1o9k n GLU 667 Cb 0.95 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.80 1o9k n GLU 667 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1o9k n ARG 668 N -1.25 1.22 -0.05 3.49 1.74 -1.21 -4.46 116.66 116.14 1o9k n ARG 668 Ca 0.15 -0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 1o9k n ARG 668 Cb 0.22 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1o9k n ARG 668 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1o9k n LEU 669 N -2.02 1.92 -0.61 0.55 4.32 -0.93 -4.74 117.00 115.50 1o9k n LEU 669 Ca -0.07 -0.04 0.09 0.00 -0.02 0.00 0.00 56.01 55.97 1o9k n LEU 669 Cb 0.46 -0.19 0.22 0.00 -1.62 0.00 0.00 43.42 42.29 1o9k n LEU 669 CO 0.19 0.53 0.66 0.18 -1.22 0.00 0.00 177.39 177.73 1o9k n LEU 670 N -2.67 3.35 0.23 2.23 4.77 -0.39 -4.66 117.00 119.86 1o9k n LEU 670 Ca -0.19 -3.06 0.16 0.00 -0.03 0.00 0.00 56.01 52.89 1o9k n LEU 670 Cb 0.75 -0.51 0.71 0.00 -2.33 0.00 0.00 43.42 42.04 1o9k n LEU 670 CO 0.15 0.70 1.14 0.77 -1.33 0.00 0.00 177.39 178.81 1o9k h SER 671 N 1.16 0.00 0.30 -1.43 4.64 -1.71 0.62 113.55 117.14 1o9k h SER 671 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o9k h SER 671 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1o9k h SER 671 CO 0.15 0.00 -0.23 -0.62 -0.87 0.00 0.00 176.83 175.26 1o9k n GLU 672 N -3.14 0.72 -2.85 4.77 -0.58 -1.26 -4.27 120.64 114.04 1o9k n GLU 672 Ca 0.02 -0.38 -0.20 0.00 -0.42 0.00 0.00 57.16 56.19 1o9k n GLU 672 Cb 0.57 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1o9k n GLU 672 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1o9k n HIS 673 N -0.81 2.10 0.00 -0.32 8.25 0.22 -4.99 115.22 119.67 1o9k n HIS 673 Ca 0.12 -3.47 0.00 0.00 -0.26 0.00 0.00 57.72 54.11 1o9k n HIS 673 Cb 0.33 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1o9k n HIS 673 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1o9k n PRO 674 N -0.10 0.00 0.00 -0.41 -0.02 -1.23 -1.54 135.00 131.71 1o9k n PRO 674 Ca 0.26 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1o9k n PRO 674 Cb 0.63 -1.57 0.08 0.00 -0.02 0.00 0.00 33.50 32.62 1o9k n PRO 674 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1o9k n GLU 675 N -1.00 0.04 -0.03 -0.52 0.00 -1.26 -4.48 120.64 113.39 1o9k n GLU 675 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1o9k n GLU 675 Cb 0.07 -1.51 -0.09 0.00 0.00 0.00 0.00 31.44 29.90 1o9k n GLU 675 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1o9k h LEU 676 N 0.00 0.44 -0.95 -1.84 3.38 -1.65 -3.29 115.31 111.40 1o9k h LEU 676 Ca 0.00 -0.66 0.14 0.00 0.09 0.00 0.00 57.88 57.45 1o9k h LEU 676 Cb 0.53 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.00 1o9k h LEU 676 CO 0.00 1.02 -0.42 -0.08 0.09 0.00 0.00 178.44 179.05 1o9k h GLU 677 N -0.12 -0.02 -0.62 1.13 4.81 -1.79 0.58 114.58 118.55 1o9k h GLU 677 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1o9k h GLU 677 Cb 1.02 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1o9k h GLU 677 CO 0.07 -0.01 0.36 1.25 -0.73 0.00 0.00 179.01 179.95 1o9k h HIS 678 N -0.02 0.82 -0.48 0.92 2.76 -1.87 0.23 115.15 117.51 1o9k h HIS 678 Ca 0.30 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1o9k h HIS 678 Cb 0.56 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1o9k h HIS 678 CO -0.88 0.57 0.20 0.82 -1.30 0.00 0.00 177.93 177.34 1o9k h ILE 679 N 0.83 1.20 -0.56 6.26 2.04 -0.79 -2.36 117.51 124.13 1o9k h ILE 679 Ca 0.22 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1o9k h ILE 679 Cb -0.00 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1o9k h ILE 679 CO -0.04 0.23 0.36 0.40 0.00 0.00 0.00 178.15 179.10 1o9k h ILE 680 N 0.63 1.11 0.00 -0.67 2.04 0.68 -2.28 117.51 119.01 1o9k h ILE 680 Ca 0.16 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1o9k h ILE 680 Cb 0.17 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1o9k h ILE 680 CO -0.02 0.13 -0.10 -0.25 0.00 0.00 0.00 178.15 177.91 1o9k h TRP 681 N 0.72 0.00 -0.44 1.37 2.91 -0.27 -0.79 115.95 119.45 1o9k h TRP 681 Ca 0.22 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.09 1o9k h TRP 681 Cb -0.03 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1o9k h TRP 681 CO -0.05 0.10 -0.30 1.15 -1.03 0.00 0.00 178.44 178.31 1o9k h THR 682 N 0.00 1.27 -0.05 2.65 2.02 -0.89 -0.23 112.91 117.68 1o9k h THR 682 Ca -0.00 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1o9k h THR 682 Cb 0.22 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1o9k h THR 682 CO 0.01 0.50 -0.02 0.25 0.37 0.00 0.00 175.52 176.63 1o9k h LEU 683 N 0.82 0.10 -0.45 2.58 6.46 -1.17 0.14 115.31 123.80 1o9k h LEU 683 Ca 0.09 -0.41 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 1o9k h LEU 683 Cb 0.89 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.72 1o9k h LEU 683 CO 0.08 0.48 0.02 0.15 -0.62 0.00 0.00 178.44 178.56 1o9k h PHE 684 N -0.28 0.01 0.06 1.25 3.04 -1.16 -0.87 116.94 118.99 1o9k h PHE 684 Ca 0.01 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1o9k h PHE 684 Cb 0.45 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1o9k h PHE 684 CO 0.07 -0.07 -0.03 0.37 -2.02 0.00 0.00 178.31 176.62 1o9k h GLN 685 N 0.13 -0.08 -0.83 1.11 -0.00 -0.96 -2.53 115.11 111.96 1o9k h GLN 685 Ca 0.22 0.01 0.12 0.00 -0.00 0.00 0.00 58.65 59.00 1o9k h GLN 685 Cb 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 27.48 27.73 1o9k h GLN 685 CO -0.35 0.19 0.44 1.25 0.00 0.00 0.00 178.83 180.36 1o9k h HIS 686 N -0.35 0.79 0.48 3.99 2.76 -0.39 -1.92 115.15 120.50 1o9k h HIS 686 Ca -0.01 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1o9k h HIS 686 Cb 0.31 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1o9k h HIS 686 CO 0.01 0.25 -0.32 1.15 -1.30 0.00 0.00 177.93 177.73 1o9k h THR 687 N 0.68 0.35 -0.58 6.26 2.02 -1.03 0.53 112.91 121.14 1o9k h THR 687 Ca 0.43 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.67 1o9k h THR 687 Cb 0.52 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1o9k h THR 687 CO -0.31 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 175.89 1o9k h LEU 688 N -0.77 0.49 0.02 2.58 3.38 -1.03 0.58 115.31 120.56 1o9k h LEU 688 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.63 1o9k h LEU 688 Cb 0.64 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1o9k h LEU 688 CO 0.04 0.32 -1.64 -0.61 0.09 0.00 0.00 178.44 176.64 1o9k h GLN 689 N 0.56 0.04 0.00 1.13 4.15 -1.29 -3.37 115.11 116.33 1o9k h GLN 689 Ca 0.25 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 1o9k h GLN 689 Cb 0.27 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1o9k h GLN 689 CO -0.07 0.64 -1.43 0.09 -1.93 0.00 0.00 178.83 176.13 1o9k n ASN 690 N -3.14 3.43 -2.38 -0.69 3.02 0.17 -4.69 115.26 110.99 1o9k n ASN 690 Ca -0.16 -0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.03 1o9k n ASN 690 Cb 1.04 0.14 0.05 0.00 -0.61 0.00 0.00 39.78 40.40 1o9k n ASN 690 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o9k n GLU 691 N -2.56 2.99 -0.11 3.52 -0.58 0.20 -4.80 120.64 119.30 1o9k n GLU 691 Ca -0.12 -3.65 0.19 0.00 -0.42 0.00 0.00 57.16 53.16 1o9k n GLU 691 Cb 0.66 -2.28 0.60 0.00 -0.57 0.00 0.00 31.44 29.86 1o9k n GLU 691 CO 0.00 0.00 0.00 0.10 -0.48 0.00 0.00 177.13 176.75 1o9k h TYR 692 N 2.27 0.25 0.00 -0.32 -0.00 -1.63 0.35 116.97 117.89 1o9k h TYR 692 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.26 1o9k h TYR 692 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 36.73 37.50 1o9k h TYR 692 CO 1.20 0.09 0.00 0.93 -0.00 0.00 0.00 178.16 180.38 1o9k h GLU 693 N 0.20 0.00 0.00 0.10 4.39 -1.89 0.21 114.58 117.59 1o9k h GLU 693 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1o9k h GLU 693 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1o9k h GLU 693 CO -0.07 0.00 0.00 1.25 -1.16 0.00 0.00 179.01 179.03 1o9k h LEU 694 N 0.00 0.00 0.00 1.33 5.85 -1.28 -2.43 115.31 118.78 1o9k h LEU 694 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1o9k h LEU 694 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1o9k h LEU 694 CO 0.00 0.00 -0.66 0.24 -0.34 0.00 0.00 178.44 177.68 1o9k h MET 695 N 0.00 0.00 -6.05 1.25 2.86 -0.75 -3.44 114.93 108.80 1o9k h MET 695 Ca 0.00 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.95 1o9k h MET 695 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1o9k h MET 695 CO 0.00 0.00 1.28 -2.13 1.06 0.00 0.00 176.91 177.12 1o9k n ARG 696 N -2.80 1.10 -1.67 1.72 0.63 -0.92 -0.14 116.66 114.58 1o9k n ARG 696 Ca 0.01 0.34 -0.14 0.00 -0.92 0.00 0.00 57.85 57.15 1o9k n ARG 696 Cb 0.54 -2.33 -0.04 0.00 0.45 0.00 0.00 32.46 31.08 1o9k n ARG 696 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1o9k n ASP 697 N 8.48 -4.50 -1.95 6.15 8.00 -1.26 -5.00 116.55 126.48 1o9k n ASP 697 Ca 0.38 0.22 -0.04 0.00 0.71 0.00 0.00 54.79 56.06 1o9k n ASP 697 Cb 0.19 -3.36 -0.01 0.00 -0.02 0.00 0.00 41.12 37.93 1o9k n ASP 697 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1o9k n ARG 698 N -2.51 0.99 -5.25 -1.24 1.74 0.80 -4.77 116.66 106.42 1o9k n ARG 698 Ca -0.14 -0.59 -0.32 0.00 -0.77 0.00 0.00 57.85 56.03 1o9k n ARG 698 Cb 0.50 0.30 -0.16 0.00 -1.02 0.00 0.00 32.46 32.08 1o9k n ARG 698 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1o9k s HIS 699 N -1.74 2.45 0.22 -1.55 5.65 -1.26 -5.00 115.29 114.06 1o9k s HIS 699 Ca 0.03 -0.71 -0.17 0.00 0.25 0.00 0.00 55.06 54.46 1o9k s HIS 699 Cb 0.00 -1.60 0.21 0.00 -1.18 0.00 0.00 32.58 30.01 1o9k s HIS 699 CO 0.02 -0.21 1.57 1.25 -0.65 0.00 0.00 174.74 176.73 1o9k h LEU 700 N 6.05 -1.18 -1.41 8.88 6.46 -1.99 0.36 115.31 132.47 1o9k h LEU 700 Ca -0.32 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1o9k h LEU 700 Cb 1.18 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 1o9k h LEU 700 CO 0.47 -0.29 0.00 0.44 -0.62 0.00 0.00 178.44 178.44 1o9k h ASP 701 N -0.07 0.00 0.22 1.25 3.32 -1.98 -1.10 116.42 118.06 1o9k h ASP 701 Ca 0.31 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.07 1o9k h ASP 701 Cb 0.58 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.15 1o9k h ASP 701 CO -0.83 0.00 -1.22 1.56 -1.72 0.00 0.00 179.24 177.03 1o9k h GLN 702 N 0.00 0.55 -0.15 3.56 4.20 -0.60 -2.57 115.11 120.11 1o9k h GLN 702 Ca 0.00 -0.75 -0.15 0.00 0.06 0.00 0.00 58.65 57.81 1o9k h GLN 702 Cb 0.06 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1o9k h GLN 702 CO 0.00 1.33 -0.56 0.82 -0.67 0.00 0.00 178.83 179.75 1o9k h ILE 703 N 0.24 1.34 0.80 2.54 5.03 -1.23 -2.39 117.51 123.84 1o9k h ILE 703 Ca -0.17 -1.84 -0.04 0.00 -0.12 0.00 0.00 64.86 62.70 1o9k h ILE 703 Cb 1.89 1.84 0.00 0.00 -3.03 0.00 0.00 36.82 37.52 1o9k h ILE 703 CO 0.23 0.56 -0.45 -0.03 -0.68 0.00 0.00 178.15 177.77 1o9k h MET 704 N 0.34 -1.12 -0.91 2.37 1.85 -1.23 -0.91 114.93 115.33 1o9k h MET 704 Ca 0.00 0.08 0.09 0.00 -0.61 0.00 0.00 59.70 59.26 1o9k h MET 704 Cb 1.09 0.25 -0.07 0.00 0.43 0.00 0.00 31.60 33.30 1o9k h MET 704 CO 0.10 -0.75 0.56 0.52 -0.40 0.00 0.00 176.91 176.94 1o9k h MET 705 N -1.16 0.93 0.00 0.39 2.86 -1.53 1.00 114.93 117.42 1o9k h MET 705 Ca -0.11 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1o9k h MET 705 Cb 0.92 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1o9k h MET 705 CO 0.13 0.62 -0.21 0.00 1.06 0.00 0.00 176.91 178.51 1o9k h SER 707 N 0.00 0.70 -0.04 0.00 0.02 0.60 -1.76 113.55 113.06 1o9k h SER 707 Ca -0.00 -0.60 0.02 0.00 -0.84 0.00 0.00 61.79 60.37 1o9k h SER 707 Cb 0.43 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1o9k h SER 707 CO 0.03 1.18 -0.09 0.24 -1.14 0.00 0.00 176.83 177.05 1o9k h MET 708 N 0.25 -0.13 0.14 3.45 2.86 -0.58 -2.53 114.93 118.39 1o9k h MET 708 Ca -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1o9k h MET 708 Cb 1.12 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1o9k h MET 708 CO 0.11 -0.09 -0.07 -0.92 1.06 0.00 0.00 176.91 177.00 1o9k h TYR 709 N -0.14 -0.18 -0.96 -0.22 3.20 -1.13 -2.62 116.97 114.93 1o9k h TYR 709 Ca 0.05 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1o9k h TYR 709 Cb 0.20 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1o9k h TYR 709 CO -0.17 0.04 0.62 0.78 -1.64 0.00 0.00 178.16 177.79 1o9k h GLY 710 N -0.38 1.46 1.96 1.82 0.00 -1.31 -1.00 103.07 105.63 1o9k h GLY 710 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1o9k h GLY 710 CO 0.03 0.26 -0.91 -2.22 0.00 0.00 0.00 176.54 173.70 1o9k h ILE 711 N 1.04 1.62 -0.18 2.60 2.04 -1.43 -2.78 117.51 120.43 1o9k h ILE 711 Ca 0.44 -3.03 -0.21 0.00 1.00 0.00 0.00 64.86 63.06 1o9k h ILE 711 Cb 0.31 2.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1o9k h ILE 711 CO -0.19 0.87 -0.72 0.00 0.00 0.00 0.00 178.15 178.10 1o9k h LYS 713 N 0.54 0.79 0.00 0.00 3.64 -1.19 -0.06 116.57 120.30 1o9k h LYS 713 Ca -0.04 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1o9k h LYS 713 Cb 1.35 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1o9k h LYS 713 CO 0.15 0.64 -0.58 0.28 -2.27 0.00 0.00 179.45 177.67 1o9k h VAL 714 N 0.79 1.05 -0.36 2.00 2.07 -1.49 -3.19 116.25 117.11 1o9k h VAL 714 Ca 0.19 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1o9k h VAL 714 Cb 0.13 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1o9k h VAL 714 CO -0.02 0.57 0.00 0.29 0.02 0.00 0.00 177.57 178.43 1o9k n LYS 715 N -3.31 2.64 -1.73 1.57 4.76 -0.95 -4.87 118.16 116.27 1o9k n LYS 715 Ca 0.01 -1.64 -0.18 0.00 -2.87 0.00 0.00 58.31 53.63 1o9k n LYS 715 Cb 0.74 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 1o9k n LYS 715 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1o9k n ASN 716 N 0.51 -5.17 -4.86 4.39 4.13 -1.12 -5.00 115.26 108.14 1o9k n ASN 716 Ca 0.15 0.32 -0.36 0.00 1.68 0.00 0.00 54.58 56.38 1o9k n ASN 716 Cb 0.59 -4.24 -0.06 0.00 -1.54 0.00 0.00 39.78 34.53 1o9k n ASN 716 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1o9k s ILE 717 N -2.72 5.11 -1.00 2.41 -1.09 -0.08 -5.03 121.20 118.80 1o9k s ILE 717 Ca 0.00 0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 58.79 1o9k s ILE 717 Cb 0.00 -3.65 0.19 0.00 -1.58 0.00 0.00 42.46 37.43 1o9k s ILE 717 CO 0.00 0.38 1.10 -0.62 -1.23 0.00 0.00 174.94 174.56 1o9k s ASP 718 N -1.56 6.90 -0.46 3.58 2.15 -1.26 -4.10 116.67 121.93 1o9k s ASP 718 Ca 0.30 -2.74 0.04 0.00 0.43 0.00 0.00 52.55 50.57 1o9k s ASP 718 Cb -0.14 -2.31 0.12 0.00 -0.30 0.00 0.00 42.92 40.29 1o9k s ASP 718 CO 0.16 -0.71 0.20 -0.22 -0.17 0.00 0.00 175.17 174.44 1o9k s LEU 719 N 0.97 4.20 0.34 -1.34 2.96 -1.26 -5.10 118.68 119.45 1o9k s LEU 719 Ca 0.31 -2.72 -0.27 0.00 -0.22 0.00 0.00 54.13 51.22 1o9k s LEU 719 Cb -0.07 -1.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.98 1o9k s LEU 719 CO -0.07 -0.28 1.16 -0.54 -1.32 0.00 0.00 176.35 175.30 1o9k s LYS 720 N 0.13 4.35 0.52 1.98 1.02 -1.26 -4.87 119.74 121.60 1o9k s LYS 720 Ca 0.15 1.87 0.29 0.00 0.02 0.00 0.00 55.97 58.30 1o9k s LYS 720 Cb -0.24 -2.94 1.42 0.00 -0.52 0.00 0.00 37.83 35.55 1o9k s LYS 720 CO -0.03 -0.07 1.91 0.74 -0.92 0.00 0.00 175.35 176.98 1o9k h PHE 721 N 3.23 0.07 -0.65 3.18 0.04 -1.99 -0.25 116.94 120.56 1o9k h PHE 721 Ca -0.48 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.24 1o9k h PHE 721 Cb 1.22 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1o9k h PHE 721 CO 0.57 0.02 0.21 -0.22 -0.60 0.00 0.00 178.31 178.29 1o9k h LYS 722 N 0.05 0.99 -0.04 1.51 3.64 -2.00 -0.54 116.57 120.19 1o9k h LYS 722 Ca 0.40 -0.19 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 1o9k h LYS 722 Cb 1.51 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1o9k h LYS 722 CO -0.03 0.84 -0.79 0.82 -2.27 0.00 0.00 179.45 178.03 1o9k h ILE 723 N 0.96 1.42 0.26 2.00 1.08 -1.43 -2.65 117.51 119.15 1o9k h ILE 723 Ca 0.21 -2.32 -0.01 0.00 -0.39 0.00 0.00 64.86 62.35 1o9k h ILE 723 Cb 0.26 2.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 1o9k h ILE 723 CO -0.01 0.69 -0.13 0.40 -0.69 0.00 0.00 178.15 178.41 1o9k h ILE 724 N 0.20 0.78 -0.85 -0.67 2.04 -1.15 -1.79 117.51 116.06 1o9k h ILE 724 Ca -0.04 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.68 1o9k h ILE 724 Cb 1.38 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 1o9k h ILE 724 CO 0.13 0.05 0.55 0.58 0.00 0.00 0.00 178.15 179.47 1o9k h VAL 725 N -0.48 0.94 -0.44 1.67 2.07 -1.13 0.40 116.25 119.28 1o9k h VAL 725 Ca -0.04 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1o9k h VAL 725 Cb 0.36 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1o9k h VAL 725 CO 0.06 0.15 -0.16 0.74 0.02 0.00 0.00 177.57 178.37 1o9k h THR 726 N 0.80 1.27 -0.17 2.57 2.02 -1.27 0.40 112.91 118.53 1o9k h THR 726 Ca 0.40 -1.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.18 1o9k h THR 726 Cb 0.46 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1o9k h THR 726 CO -0.17 0.44 -0.39 0.00 0.37 0.00 0.00 175.52 175.77 1o9k h ALA 727 N 1.06 0.27 -0.37 6.16 0.00 -0.25 -3.24 119.26 122.90 1o9k h ALA 727 Ca 0.11 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1o9k h ALA 727 Cb 0.68 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1o9k h ALA 727 CO 0.05 0.36 0.04 -0.92 0.00 0.00 0.00 179.25 178.78 1o9k h TYR 728 N 0.20 0.05 -0.34 0.00 3.20 0.18 -0.29 116.97 119.96 1o9k h TYR 728 Ca -0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 1o9k h TYR 728 Cb 1.00 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1o9k h TYR 728 CO 0.10 -0.03 0.53 0.87 -1.64 0.00 0.00 178.16 177.99 1o9k h LYS 729 N 0.15 0.00 0.00 1.82 1.57 -0.24 0.12 116.57 119.99 1o9k h LYS 729 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1o9k h LYS 729 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1o9k h LYS 729 CO -0.27 0.00 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.10 1o9k h ASP 730 N 0.00 0.00 -4.05 0.86 3.32 -1.12 -3.44 116.42 111.99 1o9k h ASP 730 Ca 0.16 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.66 1o9k h ASP 730 Cb 1.23 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.92 1o9k h ASP 730 CO -0.00 0.08 0.61 0.18 -1.72 0.00 0.00 179.24 178.38 1o9k n LEU 731 N -3.15 5.64 0.16 1.55 4.77 0.03 -4.88 117.00 121.12 1o9k n LEU 731 Ca 0.02 0.97 0.12 0.00 -0.03 0.00 0.00 56.01 57.09 1o9k n LEU 731 Cb 0.46 -1.58 0.58 0.00 -2.33 0.00 0.00 43.42 40.55 1o9k n LEU 731 CO 0.32 -0.57 0.86 1.55 -1.33 0.00 0.00 177.39 178.22 1o9k h PRO 732 N 1.39 0.00 -0.01 3.23 0.13 -1.89 -2.59 132.00 132.26 1o9k h PRO 732 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1o9k h PRO 732 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1o9k h PRO 732 CO 0.57 0.00 -0.01 -2.39 -0.23 0.00 0.00 178.00 175.94 1o9k n HIS 733 N -2.31 0.00 -1.80 1.56 1.44 -1.26 -5.06 115.22 107.79 1o9k n HIS 733 Ca -0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1o9k n HIS 733 Cb 0.12 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.23 1o9k n HIS 733 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1o9k s ALA 734 N -0.57 3.57 -0.04 1.59 0.00 -0.98 -5.03 121.76 120.29 1o9k s ALA 734 Ca 0.08 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1o9k s ALA 734 Cb 0.05 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1o9k s ALA 734 CO 0.09 -1.07 -0.15 0.08 0.00 0.00 0.00 175.76 174.70 1o9k s VAL 735 N -1.12 1.29 -1.05 0.00 1.01 -1.26 -5.01 120.40 114.25 1o9k s VAL 735 Ca 0.53 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1o9k s VAL 735 Cb -0.47 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 34.89 1o9k s VAL 735 CO 0.63 0.38 1.31 0.00 0.00 0.00 0.00 175.10 177.42 1o9k n GLN 736 N 3.26 0.02 0.11 2.72 6.02 -1.26 -1.48 117.38 126.77 1o9k n GLN 736 Ca -0.19 0.31 -0.03 0.00 -0.01 0.00 0.00 57.00 57.08 1o9k n GLN 736 Cb 0.53 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.35 1o9k n GLN 736 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1o9k h GLU 737 N 0.00 0.00 -0.28 -1.09 4.81 -1.96 -2.11 114.58 113.96 1o9k h GLU 737 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1o9k h GLU 737 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1o9k h GLU 737 CO 0.00 0.75 0.20 1.15 -0.73 0.00 0.00 179.01 180.38 1o9k h THR 738 N 0.00 0.86 0.00 0.32 2.02 -1.55 -0.51 112.91 114.05 1o9k h THR 738 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1o9k h THR 738 Cb 1.35 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1o9k h THR 738 CO 0.10 0.00 -1.23 2.22 0.37 0.00 0.00 175.52 176.98 1o9k n PHE 739 N -4.45 0.00 0.06 3.16 1.16 -1.20 -4.54 117.46 111.64 1o9k n PHE 739 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.59 1o9k n PHE 739 Cb 0.36 -0.18 -0.07 0.00 -1.61 0.00 0.00 39.48 37.98 1o9k n PHE 739 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1o9k h LYS 740 N 0.00 0.00 -3.78 3.97 1.57 -1.18 -1.58 116.57 115.58 1o9k h LYS 740 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1o9k h LYS 740 Cb 0.42 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.33 1o9k h LYS 740 CO 0.00 0.54 -0.72 0.50 -0.57 0.00 0.00 179.45 179.20 1o9k s ARG 741 N -2.82 1.25 -0.06 3.15 3.52 -0.22 -3.83 118.95 119.93 1o9k s ARG 741 Ca -0.01 -1.74 0.02 0.00 -0.13 0.00 0.00 55.73 53.88 1o9k s ARG 741 Cb 0.09 -2.63 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 1o9k s ARG 741 CO 0.80 -1.03 -0.13 0.08 -0.81 0.00 0.00 175.30 174.22 1o9k s VAL 742 N 0.87 1.14 0.25 7.11 1.01 0.63 -4.74 120.40 126.67 1o9k s VAL 742 Ca 0.13 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1o9k s VAL 742 Cb -0.21 -1.04 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 1o9k s VAL 742 CO -0.11 0.35 1.56 -0.22 0.00 0.00 0.00 175.10 176.69 1o9k s LEU 743 N 0.57 4.36 0.00 3.92 1.98 -1.26 -1.12 118.68 127.13 1o9k s LEU 743 Ca -0.13 2.82 0.00 0.00 -2.89 0.00 0.00 54.13 53.93 1o9k s LEU 743 Cb -0.15 -3.62 0.00 0.00 0.66 0.00 0.00 46.19 43.08 1o9k s LEU 743 CO 0.03 -0.85 0.00 -0.38 -1.89 0.00 0.00 176.35 173.26 1o9k n ILE 744 N 2.67 0.00 0.00 6.68 2.08 -0.69 -4.91 119.36 125.20 1o9k n ILE 744 Ca 0.09 0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.63 1o9k n ILE 744 Cb 0.38 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 38.09 1o9k n ILE 744 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1o9k n LYS 745 N -2.14 0.00 -0.05 0.38 5.02 -1.25 -4.99 118.16 115.12 1o9k n LYS 745 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1o9k n LYS 745 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1o9k n LYS 745 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1o9k n GLU 746 N 0.00 0.24 -0.00 1.97 0.00 -1.26 -4.85 120.64 116.74 1o9k n GLU 746 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 57.16 57.30 1o9k n GLU 746 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 31.44 30.48 1o9k n GLU 746 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1o9k n GLU 747 N -3.55 1.39 -2.76 3.44 -0.58 -1.26 -5.03 120.64 112.29 1o9k n GLU 747 Ca -0.20 -0.05 -0.39 0.00 -0.42 0.00 0.00 57.16 56.09 1o9k n GLU 747 Cb 0.60 -1.11 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 1o9k n GLU 747 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1o9k s GLU 748 N -2.35 4.78 0.09 3.49 2.56 -1.26 -5.00 118.70 121.02 1o9k s GLU 748 Ca -0.01 1.45 0.06 0.00 0.00 0.00 0.00 54.97 56.46 1o9k s GLU 748 Cb 0.05 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 33.00 1o9k s GLU 748 CO 0.34 0.45 -0.16 0.71 -0.56 0.00 0.00 175.26 176.05 1o9k s TYR 749 N -1.30 1.37 0.23 5.30 1.51 -1.26 -1.70 117.35 121.50 1o9k s TYR 749 Ca 0.44 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1o9k s TYR 749 Cb -0.24 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1o9k s TYR 749 CO 0.30 0.10 0.44 -3.47 -1.11 0.00 0.00 175.55 171.81 1o9k n ASP 750 N 1.10 -1.26 -4.60 2.29 -0.08 -0.28 -4.84 116.55 108.87 1o9k n ASP 750 Ca -0.20 -1.95 -0.29 0.00 -1.51 0.00 0.00 54.79 50.84 1o9k n ASP 750 Cb 0.55 2.12 0.20 0.00 2.34 0.00 0.00 41.12 46.33 1o9k n ASP 750 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1o9k s SER 751 N -2.21 2.05 0.48 1.67 1.04 -1.25 -0.27 113.70 115.21 1o9k s SER 751 Ca 0.10 1.42 0.26 0.00 0.48 0.00 0.00 55.95 58.21 1o9k s SER 751 Cb -0.03 -2.13 1.16 0.00 0.10 0.00 0.00 66.02 65.13 1o9k s SER 751 CO 0.08 -3.52 1.94 -0.29 0.98 0.00 0.00 173.24 172.42 1o9k h ILE 752 N -2.16 0.54 -0.01 -1.02 2.10 -1.59 -1.88 117.51 113.49 1o9k h ILE 752 Ca -0.56 -0.86 -0.00 0.00 1.08 0.00 0.00 64.86 64.51 1o9k h ILE 752 Cb 1.32 1.58 -0.00 0.00 -1.09 0.00 0.00 36.82 38.63 1o9k h ILE 752 CO 0.53 0.18 -0.01 0.40 -1.08 0.00 0.00 178.15 178.17 1o9k h ILE 753 N 0.00 1.39 0.00 2.19 2.04 -1.91 0.29 117.51 121.51 1o9k h ILE 753 Ca -0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1o9k h ILE 753 Cb 0.57 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1o9k h ILE 753 CO 0.02 0.30 -0.08 0.58 0.00 0.00 0.00 178.15 178.97 1o9k h VAL 754 N -0.47 0.84 -0.09 1.67 2.07 -1.88 -0.21 116.25 118.19 1o9k h VAL 754 Ca 0.00 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1o9k h VAL 754 Cb 0.50 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1o9k h VAL 754 CO 0.00 0.08 -0.25 0.15 0.02 0.00 0.00 177.57 177.57 1o9k h PHE 755 N 0.00 0.43 -0.14 1.57 3.57 -0.91 -1.83 116.94 119.63 1o9k h PHE 755 Ca -0.00 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.37 1o9k h PHE 755 Cb 0.17 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1o9k h PHE 755 CO 0.00 0.87 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.94 1o9k h TYR 756 N -0.13 -0.20 0.00 0.41 3.20 0.79 -1.20 116.97 119.84 1o9k h TYR 756 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1o9k h TYR 756 Cb 0.87 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1o9k h TYR 756 CO 0.12 -0.13 0.00 0.09 -1.64 0.00 0.00 178.16 176.59 1o9k n ASN 757 N -5.23 0.76 -0.06 -2.11 3.02 -0.21 -1.95 115.26 109.48 1o9k n ASN 757 Ca -0.03 0.58 -0.04 0.00 -0.03 0.00 0.00 54.58 55.06 1o9k n ASN 757 Cb 0.15 -0.78 -0.13 0.00 -0.61 0.00 0.00 39.78 38.41 1o9k n ASN 757 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1o9k n SER 758 N -2.21 0.87 0.09 6.41 7.64 -0.69 -4.82 113.62 120.91 1o9k n SER 758 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1o9k n SER 758 Cb 0.41 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 1o9k n SER 758 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o9k n VAL 759 N -2.49 0.50 -0.02 0.44 0.31 -0.49 -4.76 118.33 111.81 1o9k n VAL 759 Ca -0.21 0.17 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1o9k n VAL 759 Cb 0.90 -0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 1o9k n VAL 759 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1o9k h PHE 760 N 0.00 -0.62 -0.76 3.52 3.57 -1.50 -2.88 116.94 118.27 1o9k h PHE 760 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1o9k h PHE 760 Cb 0.05 0.28 -0.13 0.00 2.79 0.00 0.00 35.95 38.93 1o9k h PHE 760 CO 0.00 -0.20 -0.37 1.98 -2.23 0.00 0.00 178.31 177.50 1o9k h MET 761 N -0.19 -0.09 -0.70 1.11 4.05 -1.66 -1.89 114.93 115.54 1o9k h MET 761 Ca 0.02 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.56 1o9k h MET 761 Cb 0.24 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 1o9k h MET 761 CO -0.18 -0.06 0.28 1.96 0.23 0.00 0.00 176.91 179.13 1o9k h GLN 762 N -0.10 0.44 -0.08 0.39 1.08 -1.79 0.93 115.11 115.99 1o9k h GLN 762 Ca 0.28 -0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 57.25 1o9k h GLN 762 Cb 0.57 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1o9k h GLN 762 CO -0.81 0.29 -0.77 -0.09 -0.95 0.00 0.00 178.83 176.49 1o9k h ARG 763 N 0.45 0.47 -0.13 1.46 9.65 -1.17 -3.34 114.38 121.77 1o9k h ARG 763 Ca 0.37 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1o9k h ARG 763 Cb 0.52 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1o9k h ARG 763 CO -0.36 1.04 0.00 1.28 2.80 0.00 0.00 179.97 184.73 1o9k n LEU 764 N -3.84 2.18 -0.14 3.80 4.77 -0.84 -4.74 117.00 118.20 1o9k n LEU 764 Ca -0.05 -1.50 -0.10 0.00 -0.03 0.00 0.00 56.01 54.33 1o9k n LEU 764 Cb 0.74 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1o9k n LEU 764 CO 0.49 0.50 0.57 0.50 -1.33 0.00 0.00 177.39 178.12 1o9k h LYS 765 N 1.56 -0.31 -0.08 3.23 3.64 0.76 0.20 116.57 125.57 1o9k h LYS 765 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1o9k h LYS 765 Cb 0.51 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1o9k h LYS 765 CO 0.00 -0.21 -0.05 1.79 -2.27 0.00 0.00 179.45 178.72 1o9k h THR 766 N -0.32 1.09 -0.34 1.00 1.35 -1.85 0.17 112.91 114.00 1o9k h THR 766 Ca 0.14 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.52 1o9k h THR 766 Cb 0.58 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1o9k h THR 766 CO -0.59 0.11 -0.22 -1.13 -0.25 0.00 0.00 175.52 173.45 1o9k h ASN 767 N 0.12 0.79 -0.60 5.36 -0.73 -1.36 -3.00 115.58 116.15 1o9k h ASN 767 Ca 0.03 -0.43 -0.09 0.00 1.87 0.00 0.00 56.30 57.68 1o9k h ASN 767 Cb 0.16 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1o9k h ASN 767 CO 0.01 1.04 0.02 0.40 -0.37 0.00 0.00 177.43 178.53 1o9k h ILE 768 N 0.53 1.26 -0.49 2.57 2.04 0.22 -2.83 117.51 120.81 1o9k h ILE 768 Ca 0.07 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1o9k h ILE 768 Cb 0.77 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1o9k h ILE 768 CO 0.06 0.41 0.33 -0.07 0.00 0.00 0.00 178.15 178.88 1o9k h LEU 769 N 0.98 0.37 -1.78 1.44 -0.00 -0.65 -1.34 115.31 114.33 1o9k h LEU 769 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1o9k h LEU 769 Cb 0.53 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1o9k h LEU 769 CO 0.03 0.24 0.07 -0.61 -0.00 0.00 0.00 178.44 178.17 1o9k h GLN 770 N 0.42 0.00 -0.06 1.13 4.15 -1.36 0.80 115.11 120.19 1o9k h GLN 770 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1o9k h GLN 770 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1o9k h GLN 770 CO -0.05 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.51 1o9k n TYR 771 N -2.48 0.07 -2.72 3.99 4.01 -0.51 -4.24 117.16 115.29 1o9k n TYR 771 Ca -0.02 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1o9k n TYR 771 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1o9k n TYR 771 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o9k s ALA 772 N -1.93 3.26 0.00 -0.72 0.00 0.27 -4.82 121.76 117.82 1o9k s ALA 772 Ca 0.36 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.57 1o9k s ALA 772 Cb 0.20 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1o9k s ALA 772 CO 0.31 -3.23 0.00 0.45 0.00 0.00 0.00 175.76 173.29 1o9k n SER 773 N 7.63 0.00 -3.47 0.00 2.88 -1.26 -4.80 113.62 114.59 1o9k n SER 773 Ca 0.36 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.64 1o9k n SER 773 Cb 0.48 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1o9k n SER 773 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1o9k n THR 774 N 0.00 -1.32 -1.97 2.46 -2.24 -1.26 -3.09 114.28 106.86 1o9k n THR 774 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1o9k n THR 774 Cb 0.00 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 1o9k n THR 774 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1o9k n ARG 775 N -3.99 -0.40 -0.00 -0.78 3.00 -1.26 -5.07 116.66 108.17 1o9k n ARG 775 Ca -0.01 0.79 -0.00 0.00 -0.01 0.00 0.00 57.85 58.62 1o9k n ARG 775 Cb 0.55 -2.78 -0.00 0.00 0.00 0.00 0.00 32.46 30.23 1o9k n ARG 775 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1o9k h PRO 776 N 0.13 0.00 -5.76 5.56 0.11 -1.72 -3.49 132.00 126.84 1o9k h PRO 776 Ca -0.00 0.00 -0.84 0.00 0.11 0.00 0.00 66.00 65.27 1o9k h PRO 776 Cb 1.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1o9k h PRO 776 CO 0.09 0.00 0.61 -2.30 -0.21 0.00 0.00 178.00 176.19 1o9k n PRO 777 N -2.09 0.00 -0.78 1.05 -0.02 -1.26 -4.79 135.00 127.11 1o9k n PRO 777 Ca -0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1o9k n PRO 777 Cb 0.00 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1o9k n PRO 777 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1o9k n THR 778 N 3.64 0.00 -0.30 3.45 -1.04 -1.26 -5.14 114.28 113.63 1o9k n THR 778 Ca 0.29 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.05 62.00 1o9k n THR 778 Cb -0.05 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1o9k n THR 778 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1o9k n LEU 779 N 0.10 -0.71 -4.88 -4.42 4.77 -1.26 -4.96 117.00 105.64 1o9k n LEU 779 Ca -0.03 0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.78 1o9k n LEU 779 Cb 0.74 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1o9k n LEU 779 CO -0.03 -1.01 -0.06 -0.44 -1.33 0.00 0.00 177.39 174.53 1o9k s SER 780 N -0.23 6.51 0.04 -1.43 0.01 -1.26 -5.04 113.70 112.30 1o9k s SER 780 Ca 0.14 0.59 -0.33 0.00 1.31 0.00 0.00 55.95 57.66 1o9k s SER 780 Cb -0.14 -2.10 -0.12 0.00 0.21 0.00 0.00 66.02 63.87 1o9k s SER 780 CO 0.15 0.28 1.82 -0.81 0.41 0.00 0.00 173.24 175.08 1o9k n PRO 781 N 1.29 2.43 -1.82 12.44 -0.04 -1.26 -4.84 135.00 143.20 1o9k n PRO 781 Ca -0.13 0.89 -0.39 0.00 -0.04 0.00 0.00 63.50 63.83 1o9k n PRO 781 Cb 0.53 -2.74 0.03 0.00 -0.04 0.00 0.00 33.50 31.28 1o9k n PRO 781 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1o9k s ILE 782 N 3.06 2.13 0.42 0.52 -1.09 -1.26 -4.95 121.20 120.03 1o9k s ILE 782 Ca 0.86 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 59.13 1o9k s ILE 782 Cb -0.60 -3.06 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 1o9k s ILE 782 CO 0.43 0.00 1.44 -2.84 -1.23 0.00 0.00 174.94 172.75 1o9k s PRO 783 N -2.74 3.85 -0.49 2.79 0.02 -1.26 -4.83 135.00 132.34 1o9k s PRO 783 Ca 0.68 2.45 -0.45 0.00 0.02 0.00 0.00 61.00 63.70 1o9k s PRO 783 Cb -0.41 -2.77 -0.19 0.00 0.02 0.00 0.00 34.50 31.15 1o9k s PRO 783 CO 0.50 -0.70 1.95 1.58 -0.33 0.00 0.00 177.00 180.00 1o9k n HIS 784 N 0.05 1.40 -0.00 6.54 -0.00 -1.26 -4.87 115.22 117.08 1o9k n HIS 784 Ca 0.04 0.87 -0.03 0.00 0.46 0.00 0.00 57.72 59.06 1o9k n HIS 784 Cb 0.41 -2.28 0.21 0.00 -0.12 0.00 0.00 29.99 28.21 1o9k n HIS 784 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1o9k h ILE 785 N 6.29 1.25 0.00 3.57 5.03 -2.03 -3.47 117.51 128.15 1o9k h ILE 785 Ca -0.23 -1.14 -0.16 0.00 -0.12 0.00 0.00 64.86 63.21 1o9k h ILE 785 Cb 1.40 1.22 -0.01 0.00 -3.03 0.00 0.00 36.82 36.39 1o9k h ILE 785 CO 1.05 0.37 0.29 -2.65 -0.68 0.00 0.00 178.15 176.53 1o9k n PRO 786 N -4.16 0.00 0.00 2.37 -0.02 -1.26 -5.20 135.00 126.72 1o9k n PRO 786 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1o9k n PRO 786 Cb 0.36 -0.32 0.91 0.00 -0.02 0.00 0.00 33.50 34.44 1o9k n PRO 786 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02