#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 1.45 -4.46 6.12 5.03 -1.25 -3.77 115.26 118.38 2of5 n ASN 778 Ca 0.00 -2.93 -0.37 0.00 0.87 0.00 0.00 54.58 52.16 2of5 n ASN 778 Cb 0.00 -0.65 -0.12 0.00 -1.02 0.00 0.00 39.78 37.99 2of5 n ASN 778 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2of5 s LEU 779 N -1.44 3.47 0.00 3.41 1.98 -1.16 -4.86 118.68 120.09 2of5 s LEU 779 Ca 0.35 -0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.40 2of5 s LEU 779 Cb 0.13 -1.93 0.00 0.00 0.66 0.00 0.00 46.19 45.04 2of5 s LEU 779 CO -0.10 -0.03 0.00 0.61 -1.89 0.00 0.00 176.35 174.94 2of5 n GLY 780 N 4.91 0.59 3.98 7.98 0.00 -1.26 -2.41 105.19 118.99 2of5 n GLY 780 Ca -0.16 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.13 4.08 0.00 1.61 -4.77 -1.21 -4.80 116.67 110.44 2of5 s ASP 781 Ca 0.00 -0.31 0.03 0.00 -3.30 0.00 0.00 52.55 48.97 2of5 s ASP 781 Cb 0.00 0.02 0.17 0.00 -1.09 0.00 0.00 42.92 42.01 2of5 s ASP 781 CO 0.00 -2.05 0.48 0.00 0.70 0.00 0.00 175.17 174.30 2of5 n ALA 782 N -3.01 1.75 -0.51 2.11 0.00 -1.26 -3.22 120.51 116.37 2of5 n ALA 782 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2of5 n ALA 782 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2of5 n ALA 782 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2of5 n GLU 783 N -0.69 0.00 -0.18 0.00 2.13 -1.26 -4.87 120.64 115.77 2of5 n GLU 783 Ca 0.02 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.85 2of5 n GLU 783 Cb 0.01 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.76 2of5 n GLU 783 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2of5 n THR 784 N -1.73 -0.24 0.00 6.31 -1.04 -1.25 -4.76 114.28 111.57 2of5 n THR 784 Ca 0.00 1.14 0.00 0.00 -2.04 0.00 0.00 64.05 63.15 2of5 n THR 784 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 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 -1.27 2.99 3.33 3.41 0.00 -1.20 -4.98 105.19 107.48 2of5 n GLY 785 Ca 0.06 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 2of5 n GLY 785 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2of5 s PHE 786 N -2.00 2.39 -0.17 1.61 2.99 -1.26 -3.35 117.98 118.19 2of5 s PHE 786 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 56.93 56.46 2of5 s PHE 786 Cb 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 43.02 41.56 2of5 s PHE 786 CO 0.00 -0.03 0.14 -0.51 -0.00 0.00 0.00 175.22 174.82 2of5 s LEU 787 N -0.59 0.14 0.55 -0.37 1.43 -1.01 -4.75 118.68 114.08 2of5 s LEU 787 Ca 0.09 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2of5 s LEU 787 Cb -0.10 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.15 2of5 s LEU 787 CO -0.00 -0.33 0.82 0.42 0.23 0.00 0.00 176.35 177.49 2of5 s THR 788 N 2.22 3.44 0.42 5.49 -4.23 -1.26 -3.01 115.64 118.71 2of5 s THR 788 Ca 0.04 -0.30 0.25 0.00 -1.18 0.00 0.00 61.69 60.50 2of5 s THR 788 Cb -0.15 -3.33 0.45 0.00 1.34 0.00 0.00 72.50 70.80 2of5 s THR 788 CO -0.09 -0.29 1.68 1.56 -0.54 0.00 0.00 174.62 176.93 2of5 h GLN 789 N 0.00 0.19 0.00 3.99 1.08 -1.99 0.12 115.11 118.50 2of5 h GLN 789 Ca -0.45 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2of5 h GLN 789 Cb 1.27 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2of5 h GLN 789 CO 0.58 0.13 0.00 0.43 -0.95 0.00 0.00 178.83 179.02 2of5 n SER 790 N -4.68 0.00 -0.31 1.46 7.64 -1.26 -1.13 113.62 115.33 2of5 n SER 790 Ca 0.33 0.87 0.17 0.00 1.01 0.00 0.00 58.87 61.24 2of5 n SER 790 Cb 1.21 -0.37 0.35 0.00 -1.01 0.00 0.00 64.21 64.40 2of5 n SER 790 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2of5 h ASN 791 N 0.00 0.25 -0.18 6.43 -0.26 -1.31 0.53 115.58 121.05 2of5 h ASN 791 Ca 0.00 0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 2of5 h ASN 791 Cb 0.00 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2of5 h ASN 791 CO 0.00 -0.11 0.00 0.25 -1.06 0.00 0.00 177.43 176.51 2of5 h LEU 792 N 0.30 0.40 -0.07 1.61 5.85 -0.74 -1.91 115.31 120.74 2of5 h LEU 792 Ca 0.61 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 59.21 2of5 h LEU 792 Cb 1.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2of5 h LEU 792 CO -0.61 0.47 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.71 2of5 h LEU 793 N 0.42 0.28 -0.86 2.25 -0.00 0.15 -1.26 115.31 116.29 2of5 h LEU 793 Ca 0.09 -0.59 0.21 0.00 -0.00 0.00 0.00 57.88 57.59 2of5 h LEU 793 Cb 0.28 -0.08 -0.15 0.00 -0.00 0.00 0.00 40.66 40.71 2of5 h LEU 793 CO 0.01 0.82 0.03 0.28 -0.00 0.00 0.00 178.44 179.58 2of5 h SER 794 N -0.25 -0.37 0.10 -0.43 0.02 -0.43 0.11 113.55 112.29 2of5 h SER 794 Ca -0.00 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2of5 h SER 794 Cb 0.78 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2of5 h SER 794 CO 0.04 -0.24 -0.05 0.58 -1.14 0.00 0.00 176.83 176.02 2of5 h VAL 795 N 0.08 1.11 -0.82 2.27 2.07 -1.34 -2.65 116.25 116.98 2of5 h VAL 795 Ca 0.49 -1.08 0.15 0.00 0.82 0.00 0.00 66.70 67.08 2of5 h VAL 795 Cb 0.93 1.77 -0.15 0.00 -1.52 0.00 0.00 31.29 32.33 2of5 h VAL 795 CO -0.76 0.25 -0.30 0.00 0.02 0.00 0.00 177.57 176.78 2of5 h ALA 796 N 0.12 0.28 -0.10 1.67 0.00 0.20 0.27 119.26 121.71 2of5 h ALA 796 Ca -0.01 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2of5 h ALA 796 Cb 0.52 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2of5 h ALA 796 CO 0.02 -0.54 -0.31 0.78 0.00 0.00 0.00 179.25 179.21 2of5 h GLY 797 N -0.05 0.21 2.00 0.00 0.00 -0.94 -2.84 103.07 101.46 2of5 h GLY 797 Ca 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2of5 h GLY 797 CO -0.85 0.15 0.00 -2.13 0.00 0.00 0.00 176.54 173.71 2of5 n ARG 798 N -4.12 0.09 -2.57 4.80 3.00 0.91 -4.76 116.66 114.00 2of5 n ARG 798 Ca -0.01 0.24 -0.24 0.00 -0.00 0.00 0.00 57.85 57.84 2of5 n ARG 798 Cb 0.40 -1.64 0.12 0.00 0.00 0.00 0.00 32.46 31.33 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 -3.59 2.95 0.00 6.15 1.43 -0.86 -5.02 118.68 119.74 2of5 s LEU 799 Ca 0.08 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2of5 s LEU 799 Cb 0.12 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2of5 s LEU 799 CO 0.39 -1.94 0.00 0.61 0.23 0.00 0.00 176.35 175.64 2of5 n GLY 800 N -2.89 2.60 0.00 -3.19 0.00 -1.26 -4.99 105.19 95.45 2of5 n GLY 800 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -0.86 0.99 4.77 -1.26 -2.72 117.00 117.92 2of5 n LEU 801 Ca 0.00 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2of5 n LEU 801 Cb 0.00 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 40.88 2of5 n LEU 801 CO 0.00 -0.18 0.70 -0.90 -1.33 0.00 0.00 177.39 175.68 2of5 n ASP 802 N -1.44 2.67 -0.25 -1.43 3.85 -1.26 -4.51 116.55 114.19 2of5 n ASP 802 Ca 0.05 -1.88 0.05 0.00 -0.71 0.00 0.00 54.79 52.31 2of5 n ASP 802 Cb 0.18 -0.05 0.17 0.00 -1.35 0.00 0.00 41.12 40.08 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 4.02 0.16 -0.91 2.11 0.09 -1.91 0.33 115.95 119.85 2of5 h TRP 803 Ca 0.00 0.05 0.26 0.00 0.09 0.00 0.00 58.89 59.29 2of5 h TRP 803 Cb 0.86 0.04 -0.04 0.00 0.08 0.00 0.00 29.16 30.11 2of5 h TRP 803 CO 0.05 -0.14 0.85 -1.35 0.09 0.00 0.00 178.44 177.94 2of5 h PRO 804 N 0.20 0.00 0.04 0.12 0.11 -1.86 0.25 132.00 130.87 2of5 h PRO 804 Ca 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 2of5 h PRO 804 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2of5 h PRO 804 CO -0.55 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.21 2of5 h ALA 805 N 1.15 -0.06 -0.75 -0.75 0.00 -1.27 0.38 119.26 117.96 2of5 h ALA 805 Ca 0.43 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2of5 h ALA 805 Cb 2.14 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 2of5 h ALA 805 CO -0.00 -0.09 0.38 0.28 0.00 0.00 0.00 179.25 179.81 2of5 h VAL 806 N -0.93 0.83 -0.45 0.00 2.07 -0.61 0.32 116.25 117.47 2of5 h VAL 806 Ca -0.01 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2of5 h VAL 806 Cb 0.62 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2of5 h VAL 806 CO 0.01 0.11 0.07 0.00 0.02 0.00 0.00 177.57 177.78 2of5 h ALA 807 N 1.46 0.60 -0.50 1.67 0.00 -0.73 -0.90 119.26 120.86 2of5 h ALA 807 Ca 0.38 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2of5 h ALA 807 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2of5 h ALA 807 CO -0.29 0.33 0.08 -0.07 0.00 0.00 0.00 179.25 179.30 2of5 h LEU 808 N 0.61 0.73 -0.45 0.00 3.38 0.50 -2.57 115.31 117.52 2of5 h LEU 808 Ca 0.14 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2of5 h LEU 808 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2of5 h LEU 808 CO 0.01 0.75 -0.78 0.45 0.09 0.00 0.00 178.44 178.96 2of5 h HIS 809 N 0.75 0.02 0.00 1.13 3.86 -0.24 -3.17 115.15 117.49 2of5 h HIS 809 Ca 0.16 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2of5 h HIS 809 Cb 0.34 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2of5 h HIS 809 CO 0.02 0.78 0.00 -0.07 0.86 0.00 0.00 177.93 179.52 2of5 h LEU 810 N 0.01 0.00 0.00 2.43 3.38 -0.78 -3.47 115.31 116.88 2of5 h LEU 810 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2of5 h LEU 810 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2of5 h LEU 810 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2of5 n GLY 811 N -0.13 2.75 3.60 0.83 0.00 -1.05 -5.08 105.19 106.10 2of5 n GLY 811 Ca 0.01 -0.61 -0.47 0.00 0.00 0.00 0.00 46.02 44.94 2of5 n GLY 811 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2of5 n VAL 812 N 0.00 1.21 -2.14 1.61 0.31 -1.04 -4.96 118.33 113.32 2of5 n VAL 812 Ca 0.00 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.72 2of5 n VAL 812 Cb 0.00 -0.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 2of5 n VAL 812 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2of5 s SER 813 N -0.11 6.40 0.57 4.52 1.04 -1.26 -4.27 113.70 120.59 2of5 s SER 813 Ca 0.68 1.45 0.38 0.00 0.48 0.00 0.00 55.95 58.95 2of5 s SER 813 Cb -0.78 -2.47 2.05 0.00 0.10 0.00 0.00 66.02 64.92 2of5 s SER 813 CO 0.54 -0.73 2.17 0.22 0.98 0.00 0.00 173.24 176.41 2of5 h TYR 814 N 0.24 0.00 -0.08 5.02 3.20 -1.97 -0.59 116.97 122.80 2of5 h TYR 814 Ca -0.45 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.26 2of5 h TYR 814 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2of5 h TYR 814 CO 0.65 0.00 -0.64 -0.09 -1.64 0.00 0.00 178.16 176.43 2of5 h ARG 815 N 0.00 0.30 0.07 1.82 1.12 -1.99 -1.95 114.38 113.76 2of5 h ARG 815 Ca 0.00 -0.22 -0.25 0.00 -1.11 0.00 0.00 59.98 58.40 2of5 h ARG 815 Cb 0.03 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 2of5 h ARG 815 CO 0.00 0.84 -1.19 0.93 -3.11 0.00 0.00 179.97 177.45 2of5 h GLU 816 N 0.22 0.15 -0.52 0.20 4.39 -1.48 -1.12 114.58 116.41 2of5 h GLU 816 Ca -0.01 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 2of5 h GLU 816 Cb 1.17 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2of5 h GLU 816 CO 0.10 1.09 0.18 0.28 -1.16 0.00 0.00 179.01 179.51 2of5 h VAL 817 N 0.04 1.23 0.45 3.13 2.07 -1.49 0.14 116.25 121.81 2of5 h VAL 817 Ca -0.10 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2of5 h VAL 817 Cb 1.90 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2of5 h VAL 817 CO 0.16 0.28 -0.35 -0.61 0.02 0.00 0.00 177.57 177.07 2of5 h GLN 818 N 0.71 -0.76 -0.19 1.57 5.75 -1.30 -0.87 115.11 120.02 2of5 h GLN 818 Ca 0.17 0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 2of5 h GLN 818 Cb 0.25 0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 2of5 h GLN 818 CO -0.01 -0.51 -0.14 -0.09 -2.65 0.00 0.00 178.83 175.43 2of5 h ARG 819 N -0.79 -0.14 -0.50 1.69 2.43 -0.80 -0.91 114.38 115.36 2of5 h ARG 819 Ca -0.04 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2of5 h ARG 819 Cb 0.67 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2of5 h ARG 819 CO -0.00 -0.09 0.33 0.82 -1.51 0.00 0.00 179.97 179.52 2of5 h ILE 820 N -0.14 1.09 -0.19 1.20 2.04 -0.62 0.53 117.51 121.41 2of5 h ILE 820 Ca 0.11 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 2of5 h ILE 820 Cb 0.31 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2of5 h ILE 820 CO -0.28 0.11 -0.37 -0.09 0.00 0.00 0.00 178.15 177.53 2of5 h ARG 821 N 0.61 0.41 0.00 2.37 2.43 -0.15 -2.88 114.38 117.17 2of5 h ARG 821 Ca 0.19 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2of5 h ARG 821 Cb 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2of5 h ARG 821 CO -0.05 0.72 -0.45 1.25 -1.51 0.00 0.00 179.97 179.93 2of5 h HIS 822 N 0.35 0.00 -0.01 2.20 2.76 0.03 1.06 115.15 121.53 2of5 h HIS 822 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2of5 h HIS 822 Cb 0.81 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2of5 h HIS 822 CO 0.02 0.00 -0.14 -1.91 -1.30 0.00 0.00 177.93 174.60 2of5 n GLU 823 N -2.31 1.07 -0.10 5.26 2.13 0.06 -4.13 120.64 122.61 2of5 n GLU 823 Ca 0.04 -0.57 0.00 0.00 0.66 0.00 0.00 57.16 57.29 2of5 n GLU 823 Cb 0.46 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2of5 n GLU 823 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2of5 n PHE 824 N -0.47 0.00 0.00 4.31 3.01 -1.13 -5.02 117.46 118.16 2of5 n PHE 824 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2of5 n PHE 824 Cb 0.33 0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.00 0.00 0.01 -1.08 1.85 0.36 0.98 116.66 118.78 2of5 n ARG 825 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 2of5 n ARG 825 Cb 0.51 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.78 2of5 n ARG 825 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2of5 h ASP 826 N 0.00 0.29 -3.30 2.89 -0.00 -1.95 -3.44 116.42 110.92 2of5 h ASP 826 Ca 0.00 -0.61 -0.63 0.00 -0.00 0.00 0.00 57.03 55.79 2of5 h ASP 826 Cb 0.00 -0.09 -0.14 0.00 -0.00 0.00 0.00 39.33 39.10 2of5 h ASP 826 CO 0.00 1.54 0.40 -0.62 -0.00 0.00 0.00 179.24 180.56 2of5 s ASP 827 N -6.75 6.33 -0.03 4.15 3.68 0.27 -4.92 116.67 119.40 2of5 s ASP 827 Ca -0.15 -0.44 -0.23 0.00 2.13 0.00 0.00 52.55 53.86 2of5 s ASP 827 Cb 0.07 -2.39 -0.17 0.00 -1.45 0.00 0.00 42.92 38.98 2of5 s ASP 827 CO 0.80 -1.08 1.06 0.25 0.13 0.00 0.00 175.17 176.32 2of5 h LEU 828 N 10.50 -0.22 -0.88 -1.34 5.85 -1.86 -3.07 115.31 124.30 2of5 h LEU 828 Ca -0.26 -0.31 0.14 0.00 0.84 0.00 0.00 57.88 58.29 2of5 h LEU 828 Cb 1.08 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.02 2of5 h LEU 828 CO 1.03 0.26 -0.39 0.44 -0.34 0.00 0.00 178.44 179.45 2of5 h ASP 829 N -0.77 -1.40 -0.31 1.25 3.32 -1.96 0.06 116.42 116.61 2of5 h ASP 829 Ca -0.03 0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.34 2of5 h ASP 829 Cb 0.51 0.72 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2of5 h ASP 829 CO 0.04 -0.29 0.12 -0.08 -1.72 0.00 0.00 179.24 177.31 2of5 h GLU 830 N -0.05 0.26 -0.31 3.56 4.57 -1.95 -0.14 114.58 120.52 2of5 h GLU 830 Ca 0.31 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 2of5 h GLU 830 Cb 0.58 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.03 2of5 h GLU 830 CO -0.90 0.17 -0.43 1.96 -1.18 0.00 0.00 179.01 178.63 2of5 h GLN 831 N 0.27 -0.37 0.55 1.92 4.20 -0.91 0.47 115.11 121.24 2of5 h GLN 831 Ca 0.13 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2of5 h GLN 831 Cb 0.08 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2of5 h GLN 831 CO -0.12 -0.25 -0.49 0.82 -0.67 0.00 0.00 178.83 178.12 2of5 h ILE 832 N -0.39 0.00 -0.71 2.54 2.04 -0.91 -0.94 117.51 119.14 2of5 h ILE 832 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 2of5 h ILE 832 Cb 0.60 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2of5 h ILE 832 CO -0.51 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.01 2of5 h ARG 833 N -1.03 0.57 -0.66 2.37 3.08 -0.71 -0.61 114.38 117.39 2of5 h ARG 833 Ca -0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2of5 h ARG 833 Cb 0.88 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2of5 h ARG 833 CO -0.03 0.37 0.16 1.25 -1.07 0.00 0.00 179.97 180.66 2of5 h HIS 834 N 0.58 1.11 -0.33 3.04 2.76 0.04 -1.90 115.15 120.46 2of5 h HIS 834 Ca 0.35 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2of5 h HIS 834 Cb 0.39 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2of5 h HIS 834 CO -0.11 0.92 0.05 1.98 -1.30 0.00 0.00 177.93 179.47 2of5 h MET 835 N 0.99 0.54 -0.44 5.26 1.85 -0.48 -0.82 114.93 121.82 2of5 h MET 835 Ca 0.21 -0.14 -0.09 0.00 -0.61 0.00 0.00 59.70 59.06 2of5 h MET 835 Cb 0.37 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2of5 h MET 835 CO 0.00 0.63 -0.09 1.25 -0.40 0.00 0.00 176.91 178.30 2of5 h LEU 836 N 0.37 0.77 0.07 3.39 5.85 -1.03 -2.85 115.31 121.87 2of5 h LEU 836 Ca 0.10 -0.22 -0.25 0.00 0.84 0.00 0.00 57.88 58.34 2of5 h LEU 836 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2of5 h LEU 836 CO 0.01 0.89 -1.20 -0.26 -0.34 0.00 0.00 178.44 177.54 2of5 h PHE 837 N 0.71 0.28 -0.65 1.25 -1.00 -1.33 -0.94 116.94 115.26 2of5 h PHE 837 Ca 0.12 -0.21 0.06 0.00 2.81 0.00 0.00 57.97 60.76 2of5 h PHE 837 Cb 0.56 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 2of5 h PHE 837 CO 0.03 1.17 0.35 0.77 -1.61 0.00 0.00 178.31 179.02 2of5 h SER 838 N 0.04 0.50 0.06 2.17 0.02 -1.10 0.14 113.55 115.38 2of5 h SER 838 Ca -0.10 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.69 2of5 h SER 838 Cb 1.90 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.39 2of5 h SER 838 CO 0.17 0.32 -0.70 -0.25 -1.14 0.00 0.00 176.83 175.22 2of5 h TRP 839 N 0.63 0.77 -0.58 3.45 7.01 -1.52 -2.91 115.95 122.79 2of5 h TRP 839 Ca 0.30 -0.32 0.06 0.00 2.11 0.00 0.00 58.89 61.04 2of5 h TRP 839 Cb 0.22 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 2of5 h TRP 839 CO -0.09 1.10 0.28 0.00 -2.79 0.00 0.00 178.44 176.94 2of5 h ALA 840 N 0.81 0.75 0.60 2.65 0.00 0.02 -1.97 119.26 122.13 2of5 h ALA 840 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2of5 h ALA 840 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2of5 h ALA 840 CO 0.13 -0.08 -0.48 0.93 0.00 0.00 0.00 179.25 179.74 2of5 h GLU 841 N 0.52 -1.01 -0.83 0.00 4.39 -0.69 -3.04 114.58 113.93 2of5 h GLU 841 Ca 0.27 0.07 0.19 0.00 0.34 0.00 0.00 59.36 60.23 2of5 h GLU 841 Cb 0.22 0.23 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 2of5 h GLU 841 CO -0.21 -0.67 0.29 0.00 -1.16 0.00 0.00 179.01 177.26 2of5 h ARG 842 N -1.05 0.33 -1.75 2.33 3.08 -1.29 -1.53 114.38 114.49 2of5 h ARG 842 Ca -0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2of5 h ARG 842 Cb 0.88 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2of5 h ARG 842 CO 0.00 0.22 0.00 1.04 -1.07 0.00 0.00 179.97 180.16 2of5 n GLN 843 N -5.10 1.00 0.00 0.04 1.13 -0.77 -4.79 117.38 108.89 2of5 n GLN 843 Ca 0.18 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2of5 n GLN 843 Cb 0.56 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.91 2of5 n GLN 843 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2of5 n ALA 844 N 1.25 0.00 -0.00 -1.58 0.00 -0.58 -3.90 120.51 115.70 2of5 n ALA 844 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2of5 n ALA 844 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2of5 n ALA 844 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2of5 h GLY 845 N 0.00 0.49 0.00 0.00 0.00 -1.89 -3.41 103.07 98.25 2of5 h GLY 845 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2of5 h GLY 845 CO 0.00 0.72 0.00 -1.06 0.00 0.00 0.00 176.54 176.20 2of5 n GLN 846 N -4.22 0.00 0.00 4.80 1.13 -1.25 -4.66 117.38 113.18 2of5 n GLN 846 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2of5 n GLN 846 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.01 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 0.00 0.00 -0.07 -1.09 -0.04 -1.26 -3.91 135.00 128.63 2of5 n PRO 847 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2of5 n PRO 847 Cb 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.48 0.84 0.08 0.55 0.00 -1.26 -4.19 105.19 100.74 2of5 n GLY 848 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 2.43 -0.05 0.09 4.61 0.00 -1.93 -2.73 119.26 121.68 2of5 h ALA 849 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2of5 h ALA 849 Cb 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2of5 h ALA 849 CO 0.00 -0.13 -0.18 0.28 0.00 0.00 0.00 179.25 179.22 2of5 h VAL 850 N -0.85 0.59 0.00 0.00 2.07 -1.89 0.12 116.25 116.28 2of5 h VAL 850 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2of5 h VAL 850 Cb 0.69 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2of5 h VAL 850 CO 0.01 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.91 2of5 h GLY 851 N -0.34 0.00 1.87 2.17 0.00 -1.87 -0.59 103.07 104.30 2of5 h GLY 851 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 2of5 h GLY 851 CO -0.11 0.00 -1.09 1.41 0.00 0.00 0.00 176.54 176.75 2of5 h LEU 852 N 0.00 0.13 0.07 3.11 3.38 -0.66 -1.61 115.31 119.73 2of5 h LEU 852 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2of5 h LEU 852 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2of5 h LEU 852 CO 0.00 1.11 -0.04 0.25 0.09 0.00 0.00 178.44 179.85 2of5 h LEU 853 N 0.02 -0.08 -0.52 1.67 6.46 -0.45 -2.23 115.31 120.17 2of5 h LEU 853 Ca -0.05 -0.32 0.08 0.00 -0.12 0.00 0.00 57.88 57.47 2of5 h LEU 853 Cb 1.84 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.72 2of5 h LEU 853 CO 0.15 0.29 0.13 0.58 -0.62 0.00 0.00 178.44 178.97 2of5 h VAL 854 N -0.47 0.75 0.00 1.05 2.07 -1.51 0.13 116.25 118.26 2of5 h VAL 854 Ca -0.01 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2of5 h VAL 854 Cb 0.40 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2of5 h VAL 854 CO 0.02 0.05 -0.00 -0.61 0.02 0.00 0.00 177.57 177.05 2of5 h GLN 855 N 0.28 0.00 0.16 1.57 4.15 -1.23 -2.17 115.11 117.88 2of5 h GLN 855 Ca 0.26 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.35 2of5 h GLN 855 Cb 0.33 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.02 2of5 h GLN 855 CO -0.31 0.00 -1.61 0.00 -1.93 0.00 0.00 178.83 174.98 2of5 h ALA 856 N 2.00 0.17 -0.50 3.38 0.00 -0.22 -3.04 119.26 121.06 2of5 h ALA 856 Ca -0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 54.91 53.72 2of5 h ALA 856 Cb 0.33 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2of5 h ALA 856 CO 0.00 1.04 -0.07 -0.07 0.00 0.00 0.00 179.25 180.15 2of5 h LEU 857 N 0.09 0.88 -0.75 0.00 3.38 -0.66 -2.60 115.31 115.65 2of5 h LEU 857 Ca -0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2of5 h LEU 857 Cb 2.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 2of5 h LEU 857 CO 0.18 0.99 0.37 -0.33 0.09 0.00 0.00 178.44 179.74 2of5 h GLU 858 N 0.81 1.08 0.00 1.13 5.08 -1.50 -0.66 114.58 120.53 2of5 h GLU 858 Ca 0.14 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2of5 h GLU 858 Cb 0.59 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2of5 h GLU 858 CO 0.04 0.84 0.00 1.04 -1.00 0.00 0.00 179.01 179.93 2of5 n GLN 859 N -4.40 0.76 -1.46 2.33 6.02 -1.01 -2.60 117.38 117.02 2of5 n GLN 859 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 2of5 n GLN 859 Cb 0.13 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 29.99 2of5 n GLN 859 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2of5 n SER 860 N -1.01 3.35 -4.33 1.08 7.64 -0.77 -4.96 113.62 114.63 2of5 n SER 860 Ca 0.18 -3.68 -0.36 0.00 1.01 0.00 0.00 58.87 56.02 2of5 n SER 860 Cb 0.09 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.83 -1.46 -2.37 6.43 8.00 -1.07 -4.85 116.55 120.40 2of5 n ASP 861 Ca 0.31 -1.16 -0.19 0.00 0.71 0.00 0.00 54.79 54.47 2of5 n ASP 861 Cb 0.86 -2.12 0.02 0.00 -0.02 0.00 0.00 41.12 39.85 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 -4.32 2.94 -0.23 -1.24 5.12 -0.33 -4.72 116.66 113.89 2of5 n ARG 862 Ca -0.05 -4.03 0.31 0.00 -1.93 0.00 0.00 57.85 52.15 2of5 n ARG 862 Cb 0.55 -2.03 0.72 0.00 -1.16 0.00 0.00 32.46 30.54 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 2.46 0.00 0.00 5.56 5.75 -1.84 0.46 115.11 127.50 2of5 h GLN 863 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2of5 h GLN 863 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2of5 h GLN 863 CO 0.65 0.00 0.00 -3.47 -2.65 0.00 0.00 178.83 173.36 2of5 n ASP 864 N -3.99 0.00 0.21 -0.69 2.03 -1.26 -1.78 116.55 111.07 2of5 n ASP 864 Ca 0.21 0.65 -0.15 0.00 0.52 0.00 0.00 54.79 56.02 2of5 n ASP 864 Cb 1.14 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.66 -1.38 5.18 2.07 -0.49 -3.01 116.25 119.29 2of5 h VAL 865 Ca 0.00 -0.01 0.40 0.00 0.82 0.00 0.00 66.70 67.91 2of5 h VAL 865 Cb 0.00 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2of5 h VAL 865 CO 0.00 0.00 1.22 0.00 0.02 0.00 0.00 177.57 178.81 2of5 n ALA 866 N -2.29 1.33 0.01 1.67 0.00 -0.70 0.27 120.51 120.79 2of5 n ALA 866 Ca -0.10 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 2of5 n ALA 866 Cb 0.20 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2of5 n ALA 866 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2of5 h GLU 867 N 0.00 0.00 -0.77 0.00 5.08 -1.20 -2.68 114.58 115.01 2of5 h GLU 867 Ca 0.66 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.01 2of5 h GLU 867 Cb 3.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 32.30 2of5 h GLU 867 CO -0.01 0.48 0.46 1.49 -1.00 0.00 0.00 179.01 180.43 2of5 h GLU 868 N 0.00 1.05 0.15 2.33 4.81 0.37 -2.04 114.58 121.25 2of5 h GLU 868 Ca -0.21 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2of5 h GLU 868 Cb 1.84 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.00 2of5 h GLU 868 CO 0.07 0.74 -0.07 0.28 -0.73 0.00 0.00 179.01 179.30 2of5 h VAL 869 N 1.06 0.86 -1.33 0.32 2.07 -1.53 -2.20 116.25 115.51 2of5 h VAL 869 Ca 0.28 -1.17 0.38 0.00 0.82 0.00 0.00 66.70 67.01 2of5 h VAL 869 Cb -0.03 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 2of5 h VAL 869 CO -0.05 0.23 0.93 0.03 0.02 0.00 0.00 177.57 178.73 2of5 h ARG 870 N -0.87 0.06 0.09 1.57 3.08 -1.30 0.01 114.38 117.03 2of5 h ARG 870 Ca -0.02 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 2of5 h ARG 870 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2of5 h ARG 870 CO 0.03 0.04 -0.93 0.00 -1.07 0.00 0.00 179.97 178.04 2of5 h ALA 871 N 1.39 0.06 -0.58 0.04 0.00 -1.36 -3.13 119.26 115.66 2of5 h ALA 871 Ca 0.66 -0.85 0.13 0.00 0.00 0.00 0.00 54.91 54.85 2of5 h ALA 871 Cb 2.47 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 20.51 2of5 h ALA 871 CO -0.09 0.51 0.40 -0.24 0.00 0.00 0.00 179.25 179.82 2of5 h VAL 872 N -0.52 0.81 0.37 0.00 3.04 -0.40 -2.27 116.25 117.29 2of5 h VAL 872 Ca -0.20 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 2of5 h VAL 872 Cb 1.54 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2of5 h VAL 872 CO 0.06 0.04 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.41 2of5 h LEU 873 N 0.22 -0.43 -6.14 3.16 3.38 -1.22 -3.35 115.31 110.94 2of5 h LEU 873 Ca 0.28 -0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 2of5 h LEU 873 Cb 0.80 0.11 0.04 0.00 0.09 0.00 0.00 40.66 41.70 2of5 h LEU 873 CO -0.05 -0.06 1.51 1.21 0.09 0.00 0.00 178.44 181.14 2of5 n GLU 874 N -5.18 0.54 0.00 1.13 2.13 -0.85 -0.94 120.64 117.47 2of5 n GLU 874 Ca -0.10 -0.91 0.00 0.00 0.66 0.00 0.00 57.16 56.81 2of5 n GLU 874 Cb 0.28 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.71 2of5 n GLU 874 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2of5 n LEU 875 N 5.90 0.00 0.00 4.31 4.77 -1.26 -5.03 117.00 125.70 2of5 n LEU 875 Ca 0.23 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2of5 n LEU 875 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2of5 n LEU 875 CO 0.73 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.71