#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2of5 n ASN 778 N 0.00 0.00 -4.27 6.12 5.15 -1.26 -5.01 115.26 115.99 2of5 n ASN 778 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2of5 n ASN 778 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 2of5 n ASN 778 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2of5 s LEU 779 N 0.00 2.37 0.00 1.20 2.01 -1.26 -4.59 118.68 118.41 2of5 s LEU 779 Ca 0.00 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.67 2of5 s LEU 779 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 46.19 44.69 2of5 s LEU 779 CO 0.00 0.14 0.00 0.61 1.01 0.00 0.00 176.35 178.11 2of5 n GLY 780 N 3.66 -1.94 3.78 -3.19 0.00 -1.26 -2.95 105.19 103.29 2of5 n GLY 780 Ca -0.19 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 2of5 n GLY 780 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2of5 n ASP 781 N -1.51 1.51 0.23 1.61 5.75 -1.25 -4.70 116.55 118.18 2of5 n ASP 781 Ca 0.00 -2.21 0.12 0.00 -0.01 0.00 0.00 54.79 52.69 2of5 n ASP 781 Cb 0.00 -0.57 0.32 0.00 -1.03 0.00 0.00 41.12 39.84 2of5 n ASP 781 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2of5 h ALA 782 N -0.41 0.97 -0.02 2.12 0.00 -1.94 -0.58 119.26 119.41 2of5 h ALA 782 Ca -0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2of5 h ALA 782 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2of5 h ALA 782 CO 0.35 0.07 0.00 1.49 0.00 0.00 0.00 179.25 181.17 2of5 h GLU 783 N 0.00 0.03 0.02 0.00 4.57 -1.91 -3.34 114.58 113.95 2of5 h GLU 783 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2of5 h GLU 783 Cb 0.89 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2of5 h GLU 783 CO 0.01 0.26 -0.01 1.15 -1.18 0.00 0.00 179.01 179.23 2of5 h THR 784 N -0.20 1.23 0.00 0.32 2.02 -1.89 -3.42 112.91 110.97 2of5 h THR 784 Ca 0.01 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.36 2of5 h THR 784 Cb 0.24 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2of5 h THR 784 CO 0.00 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.90 2of5 n GLY 785 N 1.47 3.57 0.24 2.16 0.00 -0.23 -4.72 105.19 107.69 2of5 n GLY 785 Ca -0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 2of5 n GLY 785 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2of5 n PHE 786 N -1.76 -2.07 -3.28 1.61 3.01 -1.26 -3.89 117.46 109.83 2of5 n PHE 786 Ca 0.00 -0.14 -0.05 0.00 1.01 0.00 0.00 57.45 58.26 2of5 n PHE 786 Cb 0.00 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 2of5 n PHE 786 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2of5 s LEU 787 N 0.00 -0.93 0.00 4.37 1.43 -1.15 -4.77 118.68 117.63 2of5 s LEU 787 Ca 0.03 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 2of5 s LEU 787 Cb -0.00 1.38 0.14 0.00 0.03 0.00 0.00 46.19 47.74 2of5 s LEU 787 CO 0.02 -0.32 0.56 0.35 0.23 0.00 0.00 176.35 177.19 2of5 n THR 788 N 5.38 0.00 -0.04 5.49 -2.24 -1.26 -4.26 114.28 117.34 2of5 n THR 788 Ca -0.01 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 2of5 n THR 788 Cb 0.50 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.40 2of5 n THR 788 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2of5 h GLN 789 N 0.00 0.04 -1.23 -0.78 4.20 -1.98 -2.19 115.11 113.17 2of5 h GLN 789 Ca -0.20 -0.04 0.35 0.00 0.06 0.00 0.00 58.65 58.81 2of5 h GLN 789 Cb 0.61 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2of5 h GLN 789 CO 0.13 0.83 0.86 0.77 -0.67 0.00 0.00 178.83 180.75 2of5 h SER 790 N -0.73 0.13 0.00 1.46 0.02 -1.97 1.19 113.55 113.65 2of5 h SER 790 Ca -0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2of5 h SER 790 Cb 0.85 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2of5 h SER 790 CO 0.01 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.30 2of5 n ASN 791 N -4.31 0.00 0.05 3.07 5.03 -1.10 -2.83 115.26 115.17 2of5 n ASN 791 Ca 0.28 0.73 0.14 0.00 0.87 0.00 0.00 54.58 56.61 2of5 n ASN 791 Cb 1.24 -0.48 0.62 0.00 -1.02 0.00 0.00 39.78 40.14 2of5 n ASN 791 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2of5 h LEU 792 N 0.00 0.10 -1.70 3.41 5.85 -0.73 0.95 115.31 123.19 2of5 h LEU 792 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2of5 h LEU 792 Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2of5 h LEU 792 CO 0.00 0.06 0.24 0.25 -0.34 0.00 0.00 178.44 178.65 2of5 h LEU 793 N 0.11 0.35 0.12 2.25 7.12 0.13 -1.85 115.31 123.55 2of5 h LEU 793 Ca 0.18 -0.01 -0.23 0.00 0.13 0.00 0.00 57.88 57.96 2of5 h LEU 793 Cb 0.59 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2of5 h LEU 793 CO -0.02 0.24 -1.10 0.28 -0.13 0.00 0.00 178.44 177.72 2of5 h SER 794 N 0.40 0.41 -1.17 1.25 0.02 -0.68 -2.68 113.55 111.09 2of5 h SER 794 Ca 0.14 -0.89 0.33 0.00 -0.84 0.00 0.00 61.79 60.53 2of5 h SER 794 Cb 0.07 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 2of5 h SER 794 CO -0.03 1.50 0.82 0.58 -1.14 0.00 0.00 176.83 178.55 2of5 h VAL 795 N -0.37 0.42 -0.01 2.27 2.07 -0.94 0.53 116.25 120.21 2of5 h VAL 795 Ca -0.22 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2of5 h VAL 795 Cb 1.68 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2of5 h VAL 795 CO 0.09 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.52 2of5 h ALA 796 N 1.46 0.03 0.00 1.67 0.00 -1.35 -3.14 119.26 117.93 2of5 h ALA 796 Ca 0.59 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2of5 h ALA 796 Cb 2.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 2of5 h ALA 796 CO -0.09 0.03 -0.01 0.78 0.00 0.00 0.00 179.25 179.97 2of5 h GLY 797 N -0.55 0.00 1.49 0.00 0.00 0.20 -1.15 103.07 103.06 2of5 h GLY 797 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2of5 h GLY 797 CO 0.04 0.00 -0.29 -2.13 0.00 0.00 0.00 176.54 174.16 2of5 n ARG 798 N -3.21 0.07 -3.73 4.80 3.00 0.94 -4.86 116.66 113.66 2of5 n ARG 798 Ca -0.02 0.03 -0.34 0.00 -0.00 0.00 0.00 57.85 57.52 2of5 n ARG 798 Cb 0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 32.46 30.97 2of5 n ARG 798 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2of5 s LEU 799 N -3.32 4.35 0.00 6.15 1.43 -0.44 -5.04 118.68 121.81 2of5 s LEU 799 Ca 0.11 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2of5 s LEU 799 Cb 0.17 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2of5 s LEU 799 CO 0.63 0.20 0.00 0.61 0.23 0.00 0.00 176.35 178.02 2of5 n GLY 800 N 0.82 1.62 0.52 -3.19 0.00 -1.26 -4.93 105.19 98.76 2of5 n GLY 800 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.96 2of5 n GLY 800 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2of5 n LEU 801 N 0.00 1.41 -0.81 0.99 4.77 -1.26 -3.13 117.00 118.97 2of5 n LEU 801 Ca 0.00 -0.71 0.08 0.00 -0.03 0.00 0.00 56.01 55.35 2of5 n LEU 801 Cb 0.00 -0.26 0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2of5 n LEU 801 CO 0.00 0.28 0.62 -0.90 -1.33 0.00 0.00 177.39 176.06 2of5 n ASP 802 N 0.09 2.95 -0.17 -1.43 3.85 -1.26 -4.54 116.55 116.03 2of5 n ASP 802 Ca 0.07 -1.87 -0.03 0.00 -0.71 0.00 0.00 54.79 52.25 2of5 n ASP 802 Cb 0.27 -0.21 0.04 0.00 -1.35 0.00 0.00 41.12 39.87 2of5 n ASP 802 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 2of5 h TRP 803 N 3.00 -0.37 -0.75 2.11 0.09 -1.90 -0.72 115.95 117.40 2of5 h TRP 803 Ca 0.00 0.05 0.16 0.00 0.09 0.00 0.00 58.89 59.19 2of5 h TRP 803 Cb 0.77 0.25 -0.11 0.00 0.08 0.00 0.00 29.16 30.15 2of5 h TRP 803 CO 0.21 -0.26 0.22 -1.35 0.09 0.00 0.00 178.44 177.34 2of5 h PRO 804 N -0.03 0.30 -0.62 0.12 0.11 -1.89 0.54 132.00 130.53 2of5 h PRO 804 Ca 0.26 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.47 2of5 h PRO 804 Cb 0.43 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.38 2of5 h PRO 804 CO -0.57 0.20 0.14 0.00 -0.21 0.00 0.00 178.00 177.56 2of5 h ALA 805 N 1.60 0.75 0.06 -0.75 0.00 -1.46 -1.52 119.26 117.94 2of5 h ALA 805 Ca 0.42 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2of5 h ALA 805 Cb 0.71 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2of5 h ALA 805 CO -0.49 -0.31 -0.03 0.28 0.00 0.00 0.00 179.25 178.71 2of5 h VAL 806 N 0.27 0.00 0.00 0.00 2.07 -0.68 -2.87 116.25 115.04 2of5 h VAL 806 Ca 0.33 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2of5 h VAL 806 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2of5 h VAL 806 CO -0.42 0.00 0.58 0.00 0.02 0.00 0.00 177.57 177.75 2of5 h ALA 807 N -1.96 1.48 0.02 1.67 0.00 -1.24 0.18 119.26 119.41 2of5 h ALA 807 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2of5 h ALA 807 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2of5 h ALA 807 CO 0.01 -0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 178.57 2of5 h LEU 808 N 0.00 0.09 -1.64 0.00 3.38 -1.06 0.27 115.31 116.35 2of5 h LEU 808 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 2of5 h LEU 808 Cb 1.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2of5 h LEU 808 CO 0.00 1.03 0.00 0.45 0.09 0.00 0.00 178.44 180.01 2of5 h HIS 809 N -0.83 0.00 0.00 1.13 3.86 -0.57 -1.60 115.15 117.14 2of5 h HIS 809 Ca -0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 2of5 h HIS 809 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 2of5 h HIS 809 CO 0.25 0.00 -0.22 -0.07 0.86 0.00 0.00 177.93 178.75 2of5 h LEU 810 N 0.00 0.00 0.00 2.43 3.38 -1.21 -3.45 115.31 116.46 2of5 h LEU 810 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2of5 h LEU 810 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2of5 h LEU 810 CO 0.00 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.36 2of5 n GLY 811 N 0.68 1.01 3.78 0.83 0.00 -0.60 -5.06 105.19 105.83 2of5 n GLY 811 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2of5 n GLY 811 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2of5 s VAL 812 N -2.00 3.60 0.32 1.61 1.01 0.92 -5.00 120.40 120.86 2of5 s VAL 812 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 2of5 s VAL 812 Cb 0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2of5 s VAL 812 CO 0.00 0.07 0.85 -0.94 0.00 0.00 0.00 175.10 175.08 2of5 s SER 813 N -1.42 7.09 0.44 3.32 1.04 -1.26 -4.43 113.70 118.49 2of5 s SER 813 Ca 0.56 1.60 0.15 0.00 0.48 0.00 0.00 55.95 58.75 2of5 s SER 813 Cb -0.25 -2.50 1.06 0.00 0.10 0.00 0.00 66.02 64.44 2of5 s SER 813 CO 0.31 -0.12 1.96 0.22 0.98 0.00 0.00 173.24 176.59 2of5 h TYR 814 N 2.84 0.42 -0.99 5.02 3.20 -1.96 0.68 116.97 126.18 2of5 h TYR 814 Ca -0.48 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.43 2of5 h TYR 814 Cb 1.19 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 2of5 h TYR 814 CO 0.62 0.18 0.65 -0.09 -1.64 0.00 0.00 178.16 177.89 2of5 h ARG 815 N 0.38 1.26 0.01 1.82 1.12 -1.99 -1.34 114.38 115.63 2of5 h ARG 815 Ca 0.30 -0.08 -0.24 0.00 -1.11 0.00 0.00 59.98 58.85 2of5 h ARG 815 Cb 0.67 -0.28 -0.03 0.00 -0.01 0.00 0.00 29.97 30.31 2of5 h ARG 815 CO -0.08 0.83 -1.27 0.93 -3.11 0.00 0.00 179.97 177.27 2of5 h GLU 816 N 1.30 0.02 -0.41 0.20 4.39 -0.15 -2.14 114.58 117.78 2of5 h GLU 816 Ca 0.38 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.06 2of5 h GLU 816 Cb -0.08 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2of5 h GLU 816 CO -0.10 0.84 0.26 0.28 -1.16 0.00 0.00 179.01 179.12 2of5 h VAL 817 N 0.01 1.07 -0.75 3.13 2.07 -0.47 -1.94 116.25 119.36 2of5 h VAL 817 Ca -0.12 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2of5 h VAL 817 Cb 1.87 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2of5 h VAL 817 CO 0.12 0.09 0.41 -0.61 0.02 0.00 0.00 177.57 177.60 2of5 h GLN 818 N 0.52 1.05 -0.38 1.57 4.15 -1.25 -0.72 115.11 120.04 2of5 h GLN 818 Ca 0.16 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.49 2of5 h GLN 818 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 2of5 h GLN 818 CO -0.06 0.78 0.26 -0.09 -1.93 0.00 0.00 178.83 177.79 2of5 h ARG 819 N 1.04 0.35 0.01 1.69 2.43 -0.75 -1.96 114.38 117.18 2of5 h ARG 819 Ca 0.26 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2of5 h ARG 819 Cb 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2of5 h ARG 819 CO -0.04 0.23 -0.00 0.82 -1.51 0.00 0.00 179.97 179.46 2of5 h ILE 820 N 0.36 1.54 -1.09 1.20 2.04 -0.74 -2.61 117.51 118.21 2of5 h ILE 820 Ca 0.16 -2.07 0.30 0.00 1.00 0.00 0.00 64.86 64.25 2of5 h ILE 820 Cb 0.20 2.87 -0.07 0.00 -0.74 0.00 0.00 36.82 39.08 2of5 h ILE 820 CO -0.04 0.51 0.75 -0.09 0.00 0.00 0.00 178.15 179.28 2of5 h ARG 821 N -0.96 0.16 0.04 2.37 2.43 -0.92 -1.35 114.38 116.15 2of5 h ARG 821 Ca -0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2of5 h ARG 821 Cb 0.84 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2of5 h ARG 821 CO 0.00 0.10 -0.33 1.25 -1.51 0.00 0.00 179.97 179.48 2of5 h HIS 822 N 0.16 0.26 0.00 2.20 2.76 -1.40 -2.36 115.15 116.77 2of5 h HIS 822 Ca 0.56 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2of5 h HIS 822 Cb 1.88 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.82 2of5 h HIS 822 CO -0.00 1.07 0.00 1.49 -1.30 0.00 0.00 177.93 179.19 2of5 h GLU 823 N -0.63 0.00 0.00 5.26 4.81 -0.84 -2.68 114.58 120.50 2of5 h GLU 823 Ca -0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2of5 h GLU 823 Cb 1.19 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.39 2of5 h GLU 823 CO 0.06 0.00 -0.71 1.19 -0.73 0.00 0.00 179.01 178.82 2of5 n PHE 824 N -2.80 0.00 0.32 0.92 3.01 -1.08 -4.92 117.46 112.91 2of5 n PHE 824 Ca -0.02 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.88 2of5 n PHE 824 Cb 0.06 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2of5 n PHE 824 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2of5 n ARG 825 N -0.06 0.03 -0.52 -1.08 1.85 -0.89 0.99 116.66 116.97 2of5 n ARG 825 Ca 0.07 0.92 0.07 0.00 -1.00 0.00 0.00 57.85 57.92 2of5 n ARG 825 Cb 0.91 -2.52 0.27 0.00 -1.05 0.00 0.00 32.46 30.06 2of5 n ARG 825 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2of5 n ASP 826 N -2.45 3.96 -3.22 2.89 3.85 -1.26 -4.82 116.55 115.50 2of5 n ASP 826 Ca 0.00 -3.07 -0.03 0.00 -0.71 0.00 0.00 54.79 50.98 2of5 n ASP 826 Cb 0.98 -0.57 -0.02 0.00 -1.35 0.00 0.00 41.12 40.16 2of5 n ASP 826 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2of5 s ASP 827 N -1.87 -1.01 0.21 -1.12 3.68 0.28 -5.02 116.67 111.82 2of5 s ASP 827 Ca 0.44 -0.99 -0.09 0.00 2.13 0.00 0.00 52.55 54.04 2of5 s ASP 827 Cb 0.36 1.68 0.27 0.00 -1.45 0.00 0.00 42.92 43.78 2of5 s ASP 827 CO 0.09 -0.18 1.78 0.25 0.13 0.00 0.00 175.17 177.24 2of5 h LEU 828 N 6.91 0.45 0.00 -1.34 5.85 -1.88 -2.35 115.31 122.95 2of5 h LEU 828 Ca 0.05 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2of5 h LEU 828 Cb 1.15 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2of5 h LEU 828 CO 0.12 0.28 0.00 0.47 -0.34 0.00 0.00 178.44 178.96 2of5 n ASP 829 N -4.86 0.00 0.04 1.25 8.00 -1.26 -1.73 116.55 117.99 2of5 n ASP 829 Ca 0.09 0.79 0.21 0.00 0.71 0.00 0.00 54.79 56.58 2of5 n ASP 829 Cb 0.22 -0.29 0.59 0.00 -0.02 0.00 0.00 41.12 41.63 2of5 n ASP 829 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2of5 h GLU 830 N 0.00 0.00 -0.10 -1.24 4.57 -1.93 1.03 114.58 116.91 2of5 h GLU 830 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2of5 h GLU 830 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2of5 h GLU 830 CO 0.00 0.00 0.02 1.96 -1.18 0.00 0.00 179.01 179.81 2of5 h GLN 831 N 0.00 0.16 -0.25 1.92 4.20 -0.77 -1.20 115.11 119.16 2of5 h GLN 831 Ca 0.25 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.77 2of5 h GLN 831 Cb 1.72 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.48 2of5 h GLN 831 CO -0.00 0.34 -0.43 0.82 -0.67 0.00 0.00 178.83 178.89 2of5 h ILE 832 N -0.05 1.30 0.76 2.54 2.04 0.16 -1.19 117.51 123.08 2of5 h ILE 832 Ca 0.03 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 2of5 h ILE 832 Cb 0.25 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2of5 h ILE 832 CO 0.00 0.52 -0.43 0.03 0.00 0.00 0.00 178.15 178.27 2of5 h ARG 833 N 0.48 -1.06 -1.02 2.37 3.08 -1.27 -0.93 114.38 116.03 2of5 h ARG 833 Ca 0.02 0.07 0.25 0.00 0.07 0.00 0.00 59.98 60.39 2of5 h ARG 833 Cb 1.03 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 2of5 h ARG 833 CO 0.10 -0.71 0.66 1.25 -1.07 0.00 0.00 179.97 180.19 2of5 h HIS 834 N -1.10 0.66 0.83 3.04 2.76 -1.23 0.13 115.15 120.24 2of5 h HIS 834 Ca -0.10 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.05 2of5 h HIS 834 Cb 0.87 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.65 2of5 h HIS 834 CO -0.07 0.08 -0.40 1.98 -1.30 0.00 0.00 177.93 178.23 2of5 h MET 835 N 0.41 -1.07 0.57 5.26 1.85 -0.40 -2.38 114.93 119.17 2of5 h MET 835 Ca 0.57 0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.71 2of5 h MET 835 Cb 1.42 0.24 0.00 0.00 0.43 0.00 0.00 31.60 33.70 2of5 h MET 835 CO -0.28 -0.72 -0.29 -0.07 -0.40 0.00 0.00 176.91 175.16 2of5 h LEU 836 N -1.27 -0.69 -1.55 3.39 4.07 0.03 -2.78 115.31 116.50 2of5 h LEU 836 Ca -0.11 0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.91 2of5 h LEU 836 Cb 0.85 0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 2of5 h LEU 836 CO 0.19 -0.48 0.35 -0.26 -1.08 0.00 0.00 178.44 177.16 2of5 h PHE 837 N -0.79 0.56 0.00 1.13 -1.00 -0.91 0.15 116.94 116.08 2of5 h PHE 837 Ca -0.08 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2of5 h PHE 837 Cb 0.61 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2of5 h PHE 837 CO -0.05 0.32 0.00 0.77 -1.61 0.00 0.00 178.31 177.74 2of5 h SER 838 N 0.57 0.00 0.74 2.17 0.02 -1.36 -1.51 113.55 114.18 2of5 h SER 838 Ca 0.22 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2of5 h SER 838 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2of5 h SER 838 CO -0.06 0.00 -1.30 1.87 -1.14 0.00 0.00 176.83 176.21 2of5 n TRP 839 N -2.91 0.79 0.09 3.45 -0.00 -0.23 -3.64 117.44 114.98 2of5 n TRP 839 Ca 0.02 0.24 -0.07 0.00 -0.00 0.00 0.00 57.50 57.68 2of5 n TRP 839 Cb 0.34 -0.91 0.02 0.00 -0.00 0.00 0.00 31.31 30.76 2of5 n TRP 839 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2of5 h ALA 840 N 1.85 0.61 0.43 5.87 0.00 0.17 -3.09 119.26 125.10 2of5 h ALA 840 Ca -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2of5 h ALA 840 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2of5 h ALA 840 CO 0.01 0.91 -0.20 0.93 0.00 0.00 0.00 179.25 180.89 2of5 h GLU 841 N 0.09 -0.55 0.00 0.00 4.39 -1.43 -2.79 114.58 114.29 2of5 h GLU 841 Ca -0.03 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2of5 h GLU 841 Cb 1.43 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2of5 h GLU 841 CO 0.12 -0.37 0.05 0.54 -1.16 0.00 0.00 179.01 178.19 2of5 n ARG 842 N -4.01 0.00 0.00 2.33 1.74 -1.24 0.68 116.66 116.16 2of5 n ARG 842 Ca -0.07 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.15 2of5 n ARG 842 Cb 0.23 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 2of5 n ARG 842 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2of5 n GLN 843 N -0.99 2.33 0.00 5.56 -0.06 -1.10 -4.84 117.38 118.28 2of5 n GLN 843 Ca 0.00 -0.52 0.00 0.00 -2.00 0.00 0.00 57.00 54.48 2of5 n GLN 843 Cb 0.05 -1.04 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 2of5 n GLN 843 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2of5 n ALA 844 N -0.37 0.00 -2.00 1.69 0.00 0.21 -3.88 120.51 116.16 2of5 n ALA 844 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2of5 n ALA 844 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2of5 n ALA 844 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2of5 n GLY 845 N -0.73 1.23 1.22 0.00 0.00 -1.26 -4.78 105.19 100.87 2of5 n GLY 845 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2of5 n GLY 845 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2of5 n GLN 846 N 0.00 -2.42 0.00 1.61 1.13 -1.25 -4.66 117.38 111.78 2of5 n GLN 846 Ca 0.00 1.87 0.00 0.00 -1.94 0.00 0.00 57.00 56.93 2of5 n GLN 846 Cb 0.00 -3.00 0.00 0.00 0.11 0.00 0.00 30.24 27.35 2of5 n GLN 846 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2of5 n PRO 847 N -3.83 0.00 -1.09 -1.09 -0.04 -1.26 -4.54 135.00 123.15 2of5 n PRO 847 Ca -0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.09 2of5 n PRO 847 Cb 0.60 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 2of5 n PRO 847 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2of5 n GLY 848 N 2.87 3.77 0.13 0.55 0.00 -1.26 -4.61 105.19 106.65 2of5 n GLY 848 Ca 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 2of5 n GLY 848 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2of5 h ALA 849 N 5.60 0.10 -0.27 4.61 0.00 -1.83 0.07 119.26 127.54 2of5 h ALA 849 Ca 0.71 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.64 2of5 h ALA 849 Cb 0.24 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2of5 h ALA 849 CO 1.66 -0.50 -0.08 0.28 0.00 0.00 0.00 179.25 180.60 2of5 h VAL 850 N -0.04 1.20 -0.77 0.00 2.07 -1.90 -2.59 116.25 114.22 2of5 h VAL 850 Ca 0.10 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2of5 h VAL 850 Cb 0.20 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2of5 h VAL 850 CO -0.23 0.29 0.27 1.23 0.02 0.00 0.00 177.57 179.15 2of5 h GLY 851 N 0.85 1.27 0.93 2.17 0.00 -1.56 -2.76 103.07 103.96 2of5 h GLY 851 Ca 0.08 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2of5 h GLY 851 CO 0.02 0.68 -0.02 1.41 0.00 0.00 0.00 176.54 178.63 2of5 h LEU 852 N 1.14 -0.04 -0.54 3.11 3.38 -0.65 -1.86 115.31 119.84 2of5 h LEU 852 Ca 0.25 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2of5 h LEU 852 Cb 0.27 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 2of5 h LEU 852 CO -0.01 0.04 0.01 0.25 0.09 0.00 0.00 178.44 178.82 2of5 h LEU 853 N -0.12 -0.21 -1.11 1.67 6.46 -1.42 0.39 115.31 120.97 2of5 h LEU 853 Ca -0.01 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2of5 h LEU 853 Cb 0.11 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 2of5 h LEU 853 CO 0.01 -0.08 0.60 0.58 -0.62 0.00 0.00 178.44 178.93 2of5 h VAL 854 N 0.13 1.20 -0.29 1.05 2.07 -1.29 -0.41 116.25 118.70 2of5 h VAL 854 Ca 0.28 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2of5 h VAL 854 Cb 0.43 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2of5 h VAL 854 CO -0.45 0.22 0.07 -0.61 0.02 0.00 0.00 177.57 176.82 2of5 h GLN 855 N 1.19 0.47 0.84 1.57 4.15 0.36 -2.10 115.11 121.59 2of5 h GLN 855 Ca 0.35 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 2of5 h GLN 855 Cb -0.06 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2of5 h GLN 855 CO -0.09 0.54 -0.47 0.00 -1.93 0.00 0.00 178.83 176.88 2of5 h ALA 856 N 0.90 -1.25 -1.09 3.38 0.00 0.23 0.62 119.26 122.05 2of5 h ALA 856 Ca 0.09 -0.26 0.37 0.00 0.00 0.00 0.00 54.91 55.11 2of5 h ALA 856 Cb 0.28 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 2of5 h ALA 856 CO 0.00 -1.21 0.65 -0.07 0.00 0.00 0.00 179.25 178.62 2of5 h LEU 857 N -1.22 0.40 -0.06 0.00 3.38 -1.03 0.95 115.31 117.74 2of5 h LEU 857 Ca -0.11 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2of5 h LEU 857 Cb 0.96 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2of5 h LEU 857 CO 0.14 -0.18 -0.19 -0.33 0.09 0.00 0.00 178.44 177.97 2of5 h GLU 858 N 0.21 0.24 0.00 1.13 5.08 -0.94 -0.65 114.58 119.65 2of5 h GLU 858 Ca 0.77 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2of5 h GLU 858 Cb 2.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2of5 h GLU 858 CO -0.56 0.80 0.00 0.37 -1.00 0.00 0.00 179.01 178.62 2of5 h GLN 859 N -0.28 0.00 -0.97 2.33 5.75 0.25 -0.84 115.11 121.35 2of5 h GLN 859 Ca -0.01 0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.86 2of5 h GLN 859 Cb 0.82 0.00 -0.30 0.00 1.07 0.00 0.00 27.48 29.07 2of5 h GLN 859 CO 0.04 0.00 0.73 0.43 -2.65 0.00 0.00 178.83 177.38 2of5 n SER 860 N -2.97 6.69 -4.34 -0.69 7.64 0.27 -4.91 113.62 115.31 2of5 n SER 860 Ca -0.02 -3.75 -0.37 0.00 1.01 0.00 0.00 58.87 55.74 2of5 n SER 860 Cb 0.10 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 2of5 n SER 860 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2of5 n ASP 861 N -0.96 -1.70 -2.94 6.43 -0.08 -0.32 -4.89 116.55 112.09 2of5 n ASP 861 Ca 0.61 -1.15 -0.20 0.00 -1.51 0.00 0.00 54.79 52.53 2of5 n ASP 861 Cb 0.88 -2.14 -0.02 0.00 2.34 0.00 0.00 41.12 42.19 2of5 n ASP 861 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2of5 n ARG 862 N -4.29 1.99 0.28 -0.67 5.12 -0.26 -4.83 116.66 113.99 2of5 n ARG 862 Ca -0.02 -3.95 0.16 0.00 -1.93 0.00 0.00 57.85 52.12 2of5 n ARG 862 Cb 0.53 -1.86 0.79 0.00 -1.16 0.00 0.00 32.46 30.76 2of5 n ARG 862 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 2of5 h GLN 863 N 2.94 0.00 -0.02 5.56 5.75 -1.81 -1.24 115.11 126.29 2of5 h GLN 863 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2of5 h GLN 863 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2of5 h GLN 863 CO 0.64 0.00 -0.04 0.22 -2.65 0.00 0.00 178.83 177.00 2of5 h ASP 864 N 0.00 -0.14 0.31 -0.69 3.58 -1.90 -2.19 116.42 115.39 2of5 h ASP 864 Ca 0.05 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2of5 h ASP 864 Cb 0.77 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2of5 h ASP 864 CO -0.00 -0.03 -0.13 0.52 -2.88 0.00 0.00 179.24 176.72 2of5 n VAL 865 N -2.87 0.00 -0.05 2.25 0.31 -0.56 -3.56 118.33 113.86 2of5 n VAL 865 Ca -0.00 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 2of5 n VAL 865 Cb 0.03 0.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.90 2of5 n VAL 865 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2of5 h ALA 866 N 3.67 0.20 -0.42 3.52 0.00 -1.01 -3.08 119.26 122.14 2of5 h ALA 866 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2of5 h ALA 866 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2of5 h ALA 866 CO 0.00 0.19 0.08 0.93 0.00 0.00 0.00 179.25 180.45 2of5 h GLU 867 N -0.01 0.69 -0.48 0.00 5.08 -1.45 -2.40 114.58 116.00 2of5 h GLU 867 Ca 0.00 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2of5 h GLU 867 Cb 0.85 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2of5 h GLU 867 CO 0.06 0.72 0.30 1.49 -1.00 0.00 0.00 179.01 180.57 2of5 h GLU 868 N 0.55 0.64 -0.49 2.33 4.81 -1.65 0.95 114.58 121.71 2of5 h GLU 868 Ca 0.13 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2of5 h GLU 868 Cb 0.36 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2of5 h GLU 868 CO 0.01 0.46 0.22 0.28 -0.73 0.00 0.00 179.01 179.24 2of5 h VAL 869 N 0.64 0.91 -0.57 0.32 2.07 -1.46 -0.51 116.25 117.65 2of5 h VAL 869 Ca 0.17 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2of5 h VAL 869 Cb -0.03 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2of5 h VAL 869 CO -0.03 0.08 0.33 0.03 0.02 0.00 0.00 177.57 178.00 2of5 h ARG 870 N 0.43 0.78 0.00 1.57 3.08 -0.98 -2.71 114.38 116.55 2of5 h ARG 870 Ca 0.22 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2of5 h ARG 870 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2of5 h ARG 870 CO -0.18 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 2of5 n ALA 871 N -2.29 0.00 0.27 0.04 0.00 0.29 -1.33 120.51 117.49 2of5 n ALA 871 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2of5 n ALA 871 Cb 0.07 0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.62 2of5 n ALA 871 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2of5 n VAL 872 N -0.43 0.00 1.64 0.00 3.14 -0.69 0.11 118.33 122.11 2of5 n VAL 872 Ca 0.00 0.92 0.13 0.00 -2.96 0.00 0.00 64.34 62.43 2of5 n VAL 872 Cb 0.00 -1.83 0.75 0.00 -1.06 0.00 0.00 33.84 31.70 2of5 n VAL 872 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2of5 n LEU 873 N -2.36 0.00 -4.53 6.55 -0.00 -0.44 -4.72 117.00 111.49 2of5 n LEU 873 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.61 2of5 n LEU 873 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.33 2of5 n LEU 873 CO 0.01 0.00 1.22 -1.61 -0.00 0.00 0.00 177.39 177.01 2of5 s GLU 874 N -2.00 3.38 0.00 1.96 0.41 0.31 -4.53 118.70 118.23 2of5 s GLU 874 Ca 0.38 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 2of5 s GLU 874 Cb 0.17 -4.72 0.00 0.00 -1.78 0.00 0.00 34.13 27.80 2of5 s GLU 874 CO 0.29 -2.10 0.00 -0.11 -0.49 0.00 0.00 175.26 172.86 2of5 n LEU 875 N 8.70 0.00 0.00 1.80 -0.00 -1.26 -5.14 117.00 121.10 2of5 n LEU 875 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 2of5 n LEU 875 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2of5 n LEU 875 CO 0.66 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.66