#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 0.12 -4.55 7.83 4.13 -1.26 -4.24 115.26 117.28 2of5 n ASN 778 Ca 0.00 -0.54 -0.37 0.00 1.68 0.00 0.00 54.58 55.35 2of5 n ASN 778 Cb 0.00 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.15 2of5 n ASN 778 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2of5 s LEU 779 N -0.55 3.29 0.00 3.41 1.98 -1.26 -4.69 118.68 120.85 2of5 s LEU 779 Ca 0.00 0.33 0.00 0.00 -2.89 0.00 0.00 54.13 51.57 2of5 s LEU 779 Cb 0.00 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.32 2of5 s LEU 779 CO 0.00 -2.48 0.00 0.61 -1.89 0.00 0.00 176.35 172.59 2of5 n GLY 780 N 5.84 4.24 3.95 7.98 0.00 -1.26 -0.52 105.19 125.41 2of5 n GLY 780 Ca 0.24 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2of5 n GLY 780 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2of5 s ASP 781 N 0.00 6.34 0.45 1.61 -4.77 -1.14 -4.54 116.67 114.63 2of5 s ASP 781 Ca 0.00 0.16 0.30 0.00 -3.30 0.00 0.00 52.55 49.71 2of5 s ASP 781 Cb 0.00 -1.90 1.41 0.00 -1.09 0.00 0.00 42.92 41.33 2of5 s ASP 781 CO 0.00 0.03 1.67 0.00 0.70 0.00 0.00 175.17 177.56 2of5 h ALA 782 N 1.98 2.79 -3.00 2.11 0.00 -1.99 -2.19 119.26 118.96 2of5 h ALA 782 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2of5 h ALA 782 Cb 1.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2of5 h ALA 782 CO 0.67 -1.34 0.00 -1.91 0.00 0.00 0.00 179.25 176.67 2of5 n GLU 783 N -4.55 0.00 0.00 0.00 4.07 -1.26 -4.45 120.64 114.45 2of5 n GLU 783 Ca 0.34 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 2of5 n GLU 783 Cb 1.36 -0.40 0.00 0.00 -0.06 0.00 0.00 31.44 32.34 2of5 n GLU 783 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2of5 n THR 784 N -0.02 0.00 0.00 6.31 -1.04 -1.19 -4.95 114.28 113.39 2of5 n THR 784 Ca 0.00 1.09 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 2of5 n THR 784 Cb 0.00 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 2of5 n THR 784 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2of5 n GLY 785 N -0.97 1.56 1.20 3.41 0.00 -0.83 -4.91 105.19 104.65 2of5 n GLY 785 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.53 -2.88 -3.15 1.61 3.01 -1.26 -2.87 117.46 111.39 2of5 n PHE 786 Ca 0.00 -0.63 0.04 0.00 1.01 0.00 0.00 57.45 57.87 2of5 n PHE 786 Cb 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 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 -1.35 0.61 4.37 1.43 0.32 -4.83 118.68 119.24 2of5 s LEU 787 Ca 0.19 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 2of5 s LEU 787 Cb -0.01 2.07 -0.03 0.00 0.03 0.00 0.00 46.19 48.25 2of5 s LEU 787 CO 0.12 -0.25 1.04 0.42 0.23 0.00 0.00 176.35 177.91 2of5 s THR 788 N 2.86 4.08 0.49 5.49 -4.23 -1.26 -1.18 115.64 121.90 2of5 s THR 788 Ca 0.18 0.87 0.25 0.00 -1.18 0.00 0.00 61.69 61.81 2of5 s THR 788 Cb -0.14 -3.49 0.43 0.00 1.34 0.00 0.00 72.50 70.64 2of5 s THR 788 CO -0.21 -0.70 1.90 1.56 -0.54 0.00 0.00 174.62 176.63 2of5 h GLN 789 N 0.13 0.14 -0.28 3.99 4.20 -1.99 1.20 115.11 122.50 2of5 h GLN 789 Ca -0.46 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 2of5 h GLN 789 Cb 1.21 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2of5 h GLN 789 CO 0.58 0.10 -0.07 1.03 -0.67 0.00 0.00 178.83 179.80 2of5 h SER 790 N 0.15 0.43 0.25 1.46 0.87 -1.98 0.47 113.55 115.19 2of5 h SER 790 Ca 0.41 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.64 2of5 h SER 790 Cb 1.39 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2of5 h SER 790 CO -0.07 0.55 -0.99 0.78 -0.53 0.00 0.00 176.83 176.58 2of5 h ASN 791 N 0.43 0.65 -0.28 6.23 -0.26 1.00 -2.24 115.58 121.11 2of5 h ASN 791 Ca 0.09 -0.52 -0.03 0.00 -0.56 0.00 0.00 56.30 55.27 2of5 h ASN 791 Cb 0.39 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2of5 h ASN 791 CO 0.02 1.32 0.05 -0.07 -1.06 0.00 0.00 177.43 177.69 2of5 h LEU 792 N 0.27 0.44 -0.86 1.61 4.07 -0.07 -2.60 115.31 118.18 2of5 h LEU 792 Ca -0.10 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2of5 h LEU 792 Cb 1.63 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 43.21 2of5 h LEU 792 CO 0.18 0.59 0.55 -0.07 -1.08 0.00 0.00 178.44 178.60 2of5 h LEU 793 N 0.28 1.01 -1.64 1.67 -0.00 -0.14 0.37 115.31 116.86 2of5 h LEU 793 Ca 0.08 -0.04 0.24 0.00 -0.00 0.00 0.00 57.88 58.16 2of5 h LEU 793 Cb 0.33 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.68 2of5 h LEU 793 CO 0.01 0.75 0.63 0.28 -0.00 0.00 0.00 178.44 180.11 2of5 h SER 794 N 1.17 0.28 0.01 -0.43 0.02 -1.02 -0.94 113.55 112.65 2of5 h SER 794 Ca 0.31 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2of5 h SER 794 Cb -0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2of5 h SER 794 CO -0.06 0.10 -0.01 0.58 -1.14 0.00 0.00 176.83 176.30 2of5 h VAL 795 N 0.27 0.00 -0.98 2.27 2.07 -0.80 -3.17 116.25 115.91 2of5 h VAL 795 Ca 0.48 -0.39 0.41 0.00 0.82 0.00 0.00 66.70 68.02 2of5 h VAL 795 Cb 1.43 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.03 2of5 h VAL 795 CO -0.14 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.98 2of5 n ALA 796 N -2.31 1.01 0.37 1.67 0.00 -0.06 0.13 120.51 121.32 2of5 n ALA 796 Ca -0.00 0.98 0.12 0.00 0.00 0.00 0.00 53.44 54.54 2of5 n ALA 796 Cb 0.01 -0.98 0.27 0.00 0.00 0.00 0.00 19.45 18.74 2of5 n ALA 796 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2of5 h GLY 797 N 0.00 0.00 0.55 0.00 0.00 -1.33 -3.09 103.07 99.20 2of5 h GLY 797 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.15 2of5 h GLY 797 CO -0.73 0.00 -0.32 -2.13 0.00 0.00 0.00 176.54 173.36 2of5 n ARG 798 N -2.79 0.55 -3.58 4.80 3.00 0.36 -4.89 116.66 114.11 2of5 n ARG 798 Ca 0.04 -0.31 -0.38 0.00 -0.00 0.00 0.00 57.85 57.21 2of5 n ARG 798 Cb 0.49 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.39 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 -2.67 4.46 0.00 6.15 1.43 -0.93 -5.01 118.68 122.11 2of5 s LEU 799 Ca 0.20 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2of5 s LEU 799 Cb 0.19 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.92 2of5 s LEU 799 CO 0.58 0.34 0.00 0.61 0.23 0.00 0.00 176.35 178.11 2of5 n GLY 800 N 1.84 0.58 0.24 -3.19 0.00 -1.26 -4.95 105.19 98.44 2of5 n GLY 800 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 1.16 -0.28 0.99 4.77 -1.26 -3.70 117.00 118.67 2of5 n LEU 801 Ca 0.00 -0.35 0.01 0.00 -0.03 0.00 0.00 56.01 55.64 2of5 n LEU 801 Cb 0.00 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2of5 n LEU 801 CO 0.00 0.23 0.47 -0.90 -1.33 0.00 0.00 177.39 175.86 2of5 n ASP 802 N -0.72 0.72 -0.06 -1.43 3.85 -1.26 -4.11 116.55 113.54 2of5 n ASP 802 Ca 0.10 -2.03 -0.07 0.00 -0.71 0.00 0.00 54.79 52.08 2of5 n ASP 802 Cb 0.37 -0.18 -0.01 0.00 -1.35 0.00 0.00 41.12 39.95 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 0.46 -0.37 -0.15 2.11 0.09 -1.93 -0.23 115.95 115.93 2of5 h TRP 803 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 58.89 59.05 2of5 h TRP 803 Cb 0.26 0.20 -0.01 0.00 0.08 0.00 0.00 29.16 29.69 2of5 h TRP 803 CO 0.07 -0.22 0.37 -1.35 0.09 0.00 0.00 178.44 177.41 2of5 h PRO 804 N -0.12 0.00 0.22 0.12 0.11 -1.92 0.34 132.00 130.74 2of5 h PRO 804 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2of5 h PRO 804 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2of5 h PRO 804 CO -0.34 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.34 2of5 h ALA 805 N 1.39 -0.67 -0.89 -0.75 0.00 -1.34 -0.09 119.26 116.91 2of5 h ALA 805 Ca 0.07 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.16 2of5 h ALA 805 Cb 0.82 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 2of5 h ALA 805 CO -0.00 -0.65 0.18 0.28 0.00 0.00 0.00 179.25 179.07 2of5 h VAL 806 N -0.44 0.25 0.56 0.00 2.07 -0.75 0.33 116.25 118.27 2of5 h VAL 806 Ca -0.03 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2of5 h VAL 806 Cb 0.22 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2of5 h VAL 806 CO 0.05 0.03 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 2of5 h ALA 807 N 1.82 -1.20 -0.96 1.67 0.00 -0.38 -1.95 119.26 118.27 2of5 h ALA 807 Ca 0.56 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.52 2of5 h ALA 807 Cb 1.14 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2of5 h ALA 807 CO -0.71 -1.14 0.62 -0.07 0.00 0.00 0.00 179.25 177.95 2of5 h LEU 808 N -0.77 0.48 -1.41 0.00 3.38 -0.22 0.30 115.31 117.08 2of5 h LEU 808 Ca -0.08 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2of5 h LEU 808 Cb 0.60 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2of5 h LEU 808 CO 0.12 0.17 -0.08 0.45 0.09 0.00 0.00 178.44 179.19 2of5 h HIS 809 N 0.47 0.00 -0.40 1.13 3.86 -0.75 -1.92 115.15 117.53 2of5 h HIS 809 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 2of5 h HIS 809 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2of5 h HIS 809 CO -0.00 0.08 0.00 1.28 0.86 0.00 0.00 177.93 180.14 2of5 n LEU 810 N -3.22 2.69 0.00 2.43 4.77 0.10 -4.84 117.00 118.94 2of5 n LEU 810 Ca 0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 2of5 n LEU 810 Cb 0.34 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2of5 n LEU 810 CO 0.29 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2of5 n GLY 811 N 0.95 1.18 3.68 -0.72 0.00 -0.72 -4.99 105.19 104.57 2of5 n GLY 811 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.37 2.69 0.66 1.61 1.01 -0.79 -4.91 120.40 117.31 2of5 s VAL 812 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2of5 s VAL 812 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2of5 s VAL 812 CO 0.00 -0.00 0.77 -0.24 0.00 0.00 0.00 175.10 175.63 2of5 n SER 813 N 6.45 -0.14 0.19 3.32 2.88 -1.26 -4.04 113.62 121.02 2of5 n SER 813 Ca 0.19 0.70 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 2of5 n SER 813 Cb 0.39 -1.31 0.17 0.00 -0.75 0.00 0.00 64.21 62.71 2of5 n SER 813 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2of5 h TYR 814 N 0.01 0.00 0.00 0.66 3.20 -1.97 -2.35 116.97 116.52 2of5 h TYR 814 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2of5 h TYR 814 Cb 1.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2of5 h TYR 814 CO 0.36 0.22 0.00 -0.09 -1.64 0.00 0.00 178.16 177.01 2of5 h ARG 815 N 0.00 0.00 0.19 1.82 1.12 -1.98 0.13 114.38 115.66 2of5 h ARG 815 Ca -0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.62 2of5 h ARG 815 Cb 1.10 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 31.08 2of5 h ARG 815 CO 0.03 0.00 -1.12 0.93 -3.11 0.00 0.00 179.97 176.70 2of5 h GLU 816 N 0.00 0.40 -0.83 0.20 4.39 -1.84 0.19 114.58 117.09 2of5 h GLU 816 Ca 0.00 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 2of5 h GLU 816 Cb 0.76 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2of5 h GLU 816 CO 0.00 1.33 0.45 0.28 -1.16 0.00 0.00 179.01 179.91 2of5 h VAL 817 N -0.15 1.24 0.10 3.13 2.07 -1.28 0.30 116.25 121.66 2of5 h VAL 817 Ca -0.20 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2of5 h VAL 817 Cb 1.87 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2of5 h VAL 817 CO 0.20 0.27 -0.05 -0.61 0.02 0.00 0.00 177.57 177.40 2of5 h GLN 818 N 1.16 -0.13 0.39 1.57 5.75 -0.94 -1.50 115.11 121.41 2of5 h GLN 818 Ca 0.29 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2of5 h GLN 818 Cb 0.02 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.61 2of5 h GLN 818 CO -0.05 0.05 -0.19 -0.09 -2.65 0.00 0.00 178.83 175.91 2of5 h ARG 819 N -0.30 -0.50 -0.10 1.69 2.43 -0.24 -2.39 114.38 114.97 2of5 h ARG 819 Ca -0.01 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2of5 h ARG 819 Cb 0.25 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 2of5 h ARG 819 CO 0.02 -0.26 -0.36 0.82 -1.51 0.00 0.00 179.97 178.68 2of5 h ILE 820 N -0.64 0.23 -0.34 1.20 2.04 -0.45 0.18 117.51 119.73 2of5 h ILE 820 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2of5 h ILE 820 Cb 0.47 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 2of5 h ILE 820 CO 0.09 0.00 -0.56 -0.09 0.00 0.00 0.00 178.15 177.59 2of5 h ARG 821 N -0.45 -0.43 -0.86 2.37 2.43 -1.24 -2.14 114.38 114.06 2of5 h ARG 821 Ca 0.08 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2of5 h ARG 821 Cb 0.58 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 2of5 h ARG 821 CO -0.35 -0.29 0.57 1.25 -1.51 0.00 0.00 179.97 179.64 2of5 h HIS 822 N -0.45 1.07 0.00 2.20 2.76 -0.89 0.29 115.15 120.13 2of5 h HIS 822 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2of5 h HIS 822 Cb 0.62 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2of5 h HIS 822 CO -0.69 0.66 0.00 -1.91 -1.30 0.00 0.00 177.93 174.69 2of5 n GLU 823 N -4.50 0.47 -0.55 5.26 0.00 0.57 -2.36 120.64 119.53 2of5 n GLU 823 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.24 2of5 n GLU 823 Cb 0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 31.44 30.41 2of5 n GLU 823 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2of5 n PHE 824 N -0.55 0.00 -0.33 4.31 3.01 -0.94 -5.02 117.46 117.94 2of5 n PHE 824 Ca 0.01 -0.11 0.24 0.00 1.01 0.00 0.00 57.45 58.60 2of5 n PHE 824 Cb 0.00 0.29 0.46 0.00 -0.01 0.00 0.00 39.48 40.23 2of5 n PHE 824 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2of5 h ARG 825 N 0.00 0.08 0.00 -1.08 0.11 -0.05 0.20 114.38 113.64 2of5 h ARG 825 Ca -0.13 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2of5 h ARG 825 Cb 0.95 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.01 2of5 h ARG 825 CO -0.06 0.05 0.00 0.38 0.10 0.00 0.00 179.97 180.44 2of5 h ASP 826 N 0.09 0.00 -4.19 0.08 -0.00 -1.87 -3.39 116.42 107.14 2of5 h ASP 826 Ca 0.73 0.00 -0.64 0.00 -0.00 0.00 0.00 57.03 57.12 2of5 h ASP 826 Cb 1.76 0.00 -0.41 0.00 -0.00 0.00 0.00 39.33 40.69 2of5 h ASP 826 CO -0.77 0.00 -0.60 -0.62 -0.00 0.00 0.00 179.24 177.25 2of5 s ASP 827 N -5.74 4.45 0.24 4.15 3.68 0.71 -4.97 116.67 119.19 2of5 s ASP 827 Ca 0.03 -3.13 -0.06 0.00 2.13 0.00 0.00 52.55 51.52 2of5 s ASP 827 Cb 0.08 -1.65 0.43 0.00 -1.45 0.00 0.00 42.92 40.33 2of5 s ASP 827 CO 0.57 -0.22 1.69 0.25 0.13 0.00 0.00 175.17 177.59 2of5 h LEU 828 N 6.36 0.01 -2.26 -1.34 5.85 -1.77 -1.14 115.31 121.02 2of5 h LEU 828 Ca -0.04 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2of5 h LEU 828 Cb 0.87 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2of5 h LEU 828 CO 0.70 -0.03 -0.05 0.44 -0.34 0.00 0.00 178.44 179.16 2of5 h ASP 829 N 0.27 0.00 1.49 1.25 3.32 -1.93 -1.66 116.42 119.15 2of5 h ASP 829 Ca 0.40 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 2of5 h ASP 829 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2of5 h ASP 829 CO -0.49 0.05 -0.50 -0.08 -1.72 0.00 0.00 179.24 176.50 2of5 h GLU 830 N 0.00 0.00 0.45 3.56 4.57 -1.55 -3.07 114.58 118.55 2of5 h GLU 830 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2of5 h GLU 830 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2of5 h GLU 830 CO 0.01 0.50 -0.22 1.96 -1.18 0.00 0.00 179.01 180.08 2of5 h GLN 831 N 0.00 -0.59 -0.80 1.92 4.20 -1.19 -0.51 115.11 118.14 2of5 h GLN 831 Ca -0.00 0.04 0.23 0.00 0.06 0.00 0.00 58.65 58.98 2of5 h GLN 831 Cb 1.38 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.26 2of5 h GLN 831 CO 0.06 -0.34 0.61 0.82 -0.67 0.00 0.00 178.83 179.32 2of5 h ILE 832 N -1.11 0.52 0.02 2.54 2.04 -1.58 -0.64 117.51 119.28 2of5 h ILE 832 Ca -0.06 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 2of5 h ILE 832 Cb 0.52 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2of5 h ILE 832 CO 0.10 0.00 -0.65 0.03 0.00 0.00 0.00 178.15 177.63 2of5 h ARG 833 N 0.00 0.03 -0.92 2.37 3.08 -1.52 -3.02 114.38 114.40 2of5 h ARG 833 Ca 0.38 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.45 2of5 h ARG 833 Cb 1.60 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.61 2of5 h ARG 833 CO -0.00 1.03 0.59 1.25 -1.07 0.00 0.00 179.97 181.77 2of5 h HIS 834 N -0.92 1.04 0.07 3.04 2.76 -0.32 -1.00 115.15 119.83 2of5 h HIS 834 Ca -0.17 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2of5 h HIS 834 Cb 1.21 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2of5 h HIS 834 CO 0.19 0.52 -0.03 1.98 -1.30 0.00 0.00 177.93 179.28 2of5 h MET 835 N 1.00 -0.09 -0.30 5.26 1.85 -1.29 -1.70 114.93 119.65 2of5 h MET 835 Ca 0.41 0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.44 2of5 h MET 835 Cb 0.28 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2of5 h MET 835 CO -0.17 0.26 -0.09 1.25 -0.40 0.00 0.00 176.91 177.76 2of5 h LEU 836 N -0.46 0.48 0.18 3.39 5.85 -1.35 -2.70 115.31 120.70 2of5 h LEU 836 Ca -0.01 -0.12 -0.34 0.00 0.84 0.00 0.00 57.88 58.26 2of5 h LEU 836 Cb 0.40 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.31 2of5 h LEU 836 CO 0.02 0.62 -1.65 -0.26 -0.34 0.00 0.00 178.44 176.83 2of5 h PHE 837 N 0.47 0.67 -0.85 1.25 -1.00 -1.26 -2.02 116.94 114.20 2of5 h PHE 837 Ca 0.09 -0.49 0.09 0.00 2.81 0.00 0.00 57.97 60.47 2of5 h PHE 837 Cb 0.45 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.93 2of5 h PHE 837 CO 0.02 1.57 0.55 0.77 -1.61 0.00 0.00 178.31 179.61 2of5 h SER 838 N 0.10 0.77 0.30 2.17 0.02 -1.30 -1.58 113.55 114.04 2of5 h SER 838 Ca -0.30 0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.36 2of5 h SER 838 Cb 2.09 -0.15 0.03 0.00 0.14 0.00 0.00 62.40 64.51 2of5 h SER 838 CO 0.19 0.47 -1.31 -0.25 -1.14 0.00 0.00 176.83 174.79 2of5 h TRP 839 N 0.86 0.86 0.00 3.45 7.01 -1.56 -3.04 115.95 123.52 2of5 h TRP 839 Ca 0.39 -0.58 -0.00 0.00 2.11 0.00 0.00 58.89 60.80 2of5 h TRP 839 Cb 0.37 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2of5 h TRP 839 CO -0.00 1.44 -0.01 0.00 -2.79 0.00 0.00 178.44 177.08 2of5 h ALA 840 N 0.34 1.61 0.05 2.65 0.00 -0.60 -2.82 119.26 120.49 2of5 h ALA 840 Ca -0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2of5 h ALA 840 Cb 1.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2of5 h ALA 840 CO 0.24 0.02 -0.02 0.93 0.00 0.00 0.00 179.25 180.41 2of5 h GLU 841 N 0.00 -0.06 -0.79 0.00 5.08 -1.34 -3.24 114.58 114.23 2of5 h GLU 841 Ca -0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2of5 h GLU 841 Cb 0.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2of5 h GLU 841 CO 0.00 0.51 0.83 0.00 -1.00 0.00 0.00 179.01 179.36 2of5 h ARG 842 N -0.93 0.00 -1.28 2.33 3.08 -1.39 1.11 114.38 117.31 2of5 h ARG 842 Ca -0.01 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 2of5 h ARG 842 Cb 0.61 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.46 2of5 h ARG 842 CO 0.01 0.00 0.54 1.04 -1.07 0.00 0.00 179.97 180.49 2of5 n GLN 843 N -3.56 2.03 0.00 0.04 3.00 -1.13 -4.80 117.38 112.97 2of5 n GLN 843 Ca 0.17 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 2of5 n GLN 843 Cb 1.10 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 29.52 2of5 n GLN 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2of5 n ALA 844 N -0.17 0.00 -1.00 -1.58 0.00 0.38 -4.31 120.51 113.82 2of5 n ALA 844 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2of5 n ALA 844 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.61 1.43 1.59 0.00 0.00 -1.26 -4.81 105.19 101.53 2of5 n GLY 845 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.87 0.00 1.61 1.13 -1.26 -4.83 117.38 110.16 2of5 n GLN 846 Ca 0.00 2.88 0.00 0.00 -1.94 0.00 0.00 57.00 57.94 2of5 n GLN 846 Cb 0.00 -3.35 0.00 0.00 0.11 0.00 0.00 30.24 27.00 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 -0.81 0.00 -0.57 -1.09 -0.04 -1.26 -4.40 135.00 126.83 2of5 n PRO 847 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2of5 n PRO 847 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.00 2.22 0.16 0.55 0.00 -1.26 -4.41 105.19 102.45 2of5 n GLY 848 Ca 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2of5 n GLY 848 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2of5 n ALA 849 N 2.25 1.12 0.05 4.61 0.00 -1.26 0.59 120.51 127.87 2of5 n ALA 849 Ca 0.18 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2of5 n ALA 849 Cb 0.53 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 2of5 n ALA 849 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2of5 h VAL 850 N 0.00 1.33 -0.02 0.00 2.07 -1.93 -3.12 116.25 114.58 2of5 h VAL 850 Ca 0.00 -3.03 -0.06 0.00 0.82 0.00 0.00 66.70 64.43 2of5 h VAL 850 Cb 0.04 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2of5 h VAL 850 CO 0.00 0.82 -0.29 1.23 0.02 0.00 0.00 177.57 179.35 2of5 h GLY 851 N 2.49 0.04 1.01 2.17 0.00 -0.20 -1.84 103.07 106.74 2of5 h GLY 851 Ca -0.16 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2of5 h GLY 851 CO 0.14 0.02 0.02 1.41 0.00 0.00 0.00 176.54 178.13 2of5 h LEU 852 N 0.03 0.87 -0.34 3.11 3.38 -1.37 0.13 115.31 121.11 2of5 h LEU 852 Ca 0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2of5 h LEU 852 Cb 0.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2of5 h LEU 852 CO 0.04 0.95 0.16 0.25 0.09 0.00 0.00 178.44 179.93 2of5 h LEU 853 N 0.76 0.45 -0.56 1.67 5.85 -1.38 -0.24 115.31 121.85 2of5 h LEU 853 Ca 0.15 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2of5 h LEU 853 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2of5 h LEU 853 CO 0.02 0.45 0.19 0.58 -0.34 0.00 0.00 178.44 179.34 2of5 h VAL 854 N 0.41 1.23 -0.23 1.05 2.07 -1.09 -1.45 116.25 118.25 2of5 h VAL 854 Ca 0.12 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 2of5 h VAL 854 Cb 0.13 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2of5 h VAL 854 CO -0.01 0.29 -0.40 -0.61 0.02 0.00 0.00 177.57 176.86 2of5 h GLN 855 N 0.78 0.53 0.55 1.57 4.15 -0.61 -2.23 115.11 119.85 2of5 h GLN 855 Ca 0.18 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2of5 h GLN 855 Cb 0.26 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.96 2of5 h GLN 855 CO -0.01 0.85 -0.26 0.00 -1.93 0.00 0.00 178.83 177.47 2of5 h ALA 856 N 1.12 -1.02 -0.70 3.38 0.00 -0.86 -1.61 119.26 119.58 2of5 h ALA 856 Ca 0.04 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2of5 h ALA 856 Cb 0.89 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2of5 h ALA 856 CO 0.08 -0.96 0.89 -0.07 0.00 0.00 0.00 179.25 179.19 2of5 h LEU 857 N -0.86 0.00 0.18 0.00 3.38 -1.27 0.25 115.31 116.99 2of5 h LEU 857 Ca -0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 2of5 h LEU 857 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 2of5 h LEU 857 CO 0.12 0.00 -1.35 -0.08 0.09 0.00 0.00 178.44 177.22 2of5 h GLU 858 N 0.00 0.38 -0.39 1.13 4.81 -0.74 -0.11 114.58 119.66 2of5 h GLU 858 Ca 0.33 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2of5 h GLU 858 Cb 2.11 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.73 2of5 h GLU 858 CO -0.00 1.30 0.00 0.00 -0.73 0.00 0.00 179.01 179.58 2of5 n GLN 859 N -3.60 2.12 -0.76 1.92 10.64 0.73 -3.17 117.38 125.26 2of5 n GLN 859 Ca -0.12 -1.71 -0.00 0.00 -1.83 0.00 0.00 57.00 53.33 2of5 n GLN 859 Cb 1.06 -1.42 0.26 0.00 -0.86 0.00 0.00 30.24 29.28 2of5 n GLN 859 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2of5 n SER 860 N 0.90 3.88 -2.43 2.61 7.64 -0.25 -4.93 113.62 121.04 2of5 n SER 860 Ca 0.17 -3.29 -0.12 0.00 1.01 0.00 0.00 58.87 56.64 2of5 n SER 860 Cb 0.43 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 2of5 n SER 860 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2of5 n ASP 861 N -0.55 -3.89 -3.09 6.43 8.00 -1.19 -4.91 116.55 117.34 2of5 n ASP 861 Ca 0.32 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.76 2of5 n ASP 861 Cb 1.12 -3.31 -0.05 0.00 -0.02 0.00 0.00 41.12 38.86 2of5 n ASP 861 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2of5 n ARG 862 N -2.79 2.73 -0.19 -1.24 5.12 -0.06 -4.76 116.66 115.47 2of5 n ARG 862 Ca -0.15 -4.60 0.18 0.00 -1.93 0.00 0.00 57.85 51.36 2of5 n ARG 862 Cb 0.61 -2.15 0.53 0.00 -1.16 0.00 0.00 32.46 30.30 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 3.32 0.35 0.00 5.56 5.75 -1.84 -1.90 115.11 126.34 2of5 h GLN 863 Ca 0.14 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2of5 h GLN 863 Cb 0.60 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2of5 h GLN 863 CO 0.78 0.23 0.00 -3.47 -2.65 0.00 0.00 178.83 173.72 2of5 n ASP 864 N -4.47 0.00 0.20 -0.69 2.03 -1.26 -0.22 116.55 112.14 2of5 n ASP 864 Ca 0.17 0.30 0.09 0.00 0.52 0.00 0.00 54.79 55.86 2of5 n ASP 864 Cb 0.65 -0.08 0.31 0.00 -0.72 0.00 0.00 41.12 41.27 2of5 n ASP 864 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2of5 h VAL 865 N 0.00 0.52 0.22 5.18 2.07 -1.75 -3.26 116.25 119.23 2of5 h VAL 865 Ca 0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2of5 h VAL 865 Cb 0.00 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2of5 h VAL 865 CO 0.00 0.25 -0.19 0.00 0.02 0.00 0.00 177.57 177.65 2of5 h ALA 866 N 1.74 -0.41 -0.51 1.67 0.00 0.16 -2.19 119.26 119.72 2of5 h ALA 866 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2of5 h ALA 866 Cb 0.95 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2of5 h ALA 866 CO 0.03 -0.75 0.23 0.93 0.00 0.00 0.00 179.25 179.69 2of5 h GLU 867 N -0.44 0.72 0.00 0.00 5.08 -0.78 -1.21 114.58 117.94 2of5 h GLU 867 Ca -0.01 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2of5 h GLU 867 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2of5 h GLU 867 CO -0.03 0.57 -0.18 1.49 -1.00 0.00 0.00 179.01 179.87 2of5 h GLU 868 N 0.71 0.00 0.00 2.33 4.81 -1.54 0.48 114.58 121.37 2of5 h GLU 868 Ca 0.18 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.25 2of5 h GLU 868 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2of5 h GLU 868 CO -0.02 0.18 -0.80 0.28 -0.73 0.00 0.00 179.01 177.91 2of5 h VAL 869 N 0.00 1.16 -0.10 0.32 2.07 -0.65 -1.55 116.25 117.51 2of5 h VAL 869 Ca -0.00 -2.68 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 2of5 h VAL 869 Cb 0.33 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2of5 h VAL 869 CO 0.02 0.66 -0.25 0.03 0.02 0.00 0.00 177.57 178.06 2of5 h ARG 870 N 0.00 0.34 -0.11 1.57 3.08 -0.05 -1.09 114.38 118.13 2of5 h ARG 870 Ca -0.03 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.81 2of5 h ARG 870 Cb 1.57 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.63 2of5 h ARG 870 CO 0.09 0.85 -0.03 0.00 -1.07 0.00 0.00 179.97 179.81 2of5 h ALA 871 N 0.50 0.07 -0.23 0.04 0.00 -0.11 -1.60 119.26 117.92 2of5 h ALA 871 Ca -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2of5 h ALA 871 Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2of5 h ALA 871 CO 0.05 -0.49 -0.09 -0.24 0.00 0.00 0.00 179.25 178.49 2of5 h VAL 872 N -0.00 1.19 0.00 0.00 3.04 -1.32 -0.36 116.25 118.79 2of5 h VAL 872 Ca 0.05 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2of5 h VAL 872 Cb 0.08 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2of5 h VAL 872 CO -0.11 0.27 0.00 0.18 -1.01 0.00 0.00 177.57 176.89 2of5 n LEU 873 N -4.27 0.22 -3.73 3.16 7.99 -0.41 -3.82 117.00 116.15 2of5 n LEU 873 Ca 0.00 -0.11 -0.39 0.00 -0.01 0.00 0.00 56.01 55.50 2of5 n LEU 873 Cb 0.27 -0.11 -0.00 0.00 -0.11 0.00 0.00 43.42 43.46 2of5 n LEU 873 CO 0.39 0.06 1.02 1.21 -1.51 0.00 0.00 177.39 178.55 2of5 n GLU 874 N -0.11 4.45 -0.09 3.23 4.07 -0.15 -4.45 120.64 127.59 2of5 n GLU 874 Ca 0.00 -4.64 -0.17 0.00 -0.06 0.00 0.00 57.16 52.29 2of5 n GLU 874 Cb 0.06 -2.44 -0.07 0.00 -0.06 0.00 0.00 31.44 28.92 2of5 n GLU 874 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2of5 n LEU 875 N 0.68 2.01 0.00 4.31 -0.00 -1.25 -5.09 117.00 117.67 2of5 n LEU 875 Ca 0.34 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 2of5 n LEU 875 Cb 0.32 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 2of5 n LEU 875 CO 0.59 0.56 0.00 0.61 -0.00 0.00 0.00 177.39 179.16