#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 3.37 -4.78 6.12 4.05 -1.26 -4.57 115.26 118.20 2of5 n ASN 778 Ca 0.00 -3.43 -0.37 0.00 0.45 0.00 0.00 54.58 51.23 2of5 n ASN 778 Cb 0.00 -0.61 -0.07 0.00 1.23 0.00 0.00 39.78 40.33 2of5 n ASN 778 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2of5 s LEU 779 N -2.83 4.31 0.00 1.20 2.01 -1.25 -4.81 118.68 117.31 2of5 s LEU 779 Ca 0.44 0.56 0.00 0.00 0.01 0.00 0.00 54.13 55.14 2of5 s LEU 779 Cb 0.24 -2.33 0.00 0.00 0.01 0.00 0.00 46.19 44.11 2of5 s LEU 779 CO -0.09 0.21 0.00 0.61 1.01 0.00 0.00 176.35 178.09 2of5 n GLY 780 N 2.84 -0.81 2.67 -3.19 0.00 -1.26 -1.65 105.19 103.79 2of5 n GLY 780 Ca -0.14 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.02 2.98 -0.14 1.61 5.75 -1.15 -4.88 116.55 119.71 2of5 n ASP 781 Ca 0.00 -2.61 -0.10 0.00 -0.01 0.00 0.00 54.79 52.06 2of5 n ASP 781 Cb 0.00 0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 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 1.16 0.55 0.66 2.12 0.00 -1.97 -2.03 119.26 119.75 2of5 h ALA 782 Ca -0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2of5 h ALA 782 Cb 0.93 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2of5 h ALA 782 CO 0.51 0.34 -0.32 1.49 0.00 0.00 0.00 179.25 181.27 2of5 h GLU 783 N 0.55 -0.85 -0.07 0.00 4.81 -1.94 -3.30 114.58 113.78 2of5 h GLU 783 Ca 0.11 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2of5 h GLU 783 Cb 0.49 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2of5 h GLU 783 CO 0.02 -0.54 0.01 1.15 -0.73 0.00 0.00 179.01 178.93 2of5 h THR 784 N -1.01 1.22 0.00 0.32 2.02 -1.93 -3.38 112.91 110.15 2of5 h THR 784 Ca -0.09 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2of5 h THR 784 Cb 0.71 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2of5 h THR 784 CO 0.15 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.84 2of5 n GLY 785 N -0.39 2.43 3.63 2.16 0.00 -0.76 -4.55 105.19 107.72 2of5 n GLY 785 Ca -0.07 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.69 2.52 -0.18 1.61 0.40 -1.26 -2.92 117.98 116.46 2of5 s PHE 786 Ca 0.00 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 2of5 s PHE 786 Cb 0.00 -1.62 0.03 0.00 0.51 0.00 0.00 43.02 41.95 2of5 s PHE 786 CO 0.00 0.44 -0.13 -0.51 0.70 0.00 0.00 175.22 175.72 2of5 s LEU 787 N -3.72 2.15 0.71 -0.37 1.43 -0.66 -4.71 118.68 113.51 2of5 s LEU 787 Ca 0.35 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2of5 s LEU 787 Cb 0.04 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 45.01 2of5 s LEU 787 CO 0.19 -0.10 1.08 0.42 0.23 0.00 0.00 176.35 178.17 2of5 s THR 788 N 1.39 3.18 0.18 5.49 -4.23 -1.26 -3.87 115.64 116.52 2of5 s THR 788 Ca 0.01 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.67 2of5 s THR 788 Cb -0.15 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.41 2of5 s THR 788 CO -0.09 -0.46 1.84 1.56 -0.54 0.00 0.00 174.62 176.93 2of5 h GLN 789 N -0.65 0.77 -0.93 3.99 4.20 -1.99 -0.85 115.11 119.64 2of5 h GLN 789 Ca -0.45 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.35 2of5 h GLN 789 Cb 1.27 -0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.79 2of5 h GLN 789 CO 0.64 0.52 0.54 0.77 -0.67 0.00 0.00 178.83 180.62 2of5 h SER 790 N 0.79 0.74 0.74 1.46 0.02 -1.97 0.62 113.55 115.94 2of5 h SER 790 Ca 0.21 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 2of5 h SER 790 Cb -0.08 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.40 2of5 h SER 790 CO -0.04 0.35 -0.36 0.78 -1.14 0.00 0.00 176.83 176.41 2of5 h ASN 791 N 0.80 -0.84 -0.98 3.07 -0.26 -1.63 0.42 115.58 116.16 2of5 h ASN 791 Ca 0.49 0.03 0.18 0.00 -0.56 0.00 0.00 56.30 56.44 2of5 h ASN 791 Cb 0.61 0.22 -0.09 0.00 -1.06 0.00 0.00 38.32 38.00 2of5 h ASN 791 CO -0.32 -0.56 0.61 0.25 -1.06 0.00 0.00 177.43 176.35 2of5 h LEU 792 N -1.08 0.73 -1.49 1.61 5.85 -0.71 1.28 115.31 121.49 2of5 h LEU 792 Ca -0.10 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2of5 h LEU 792 Cb 0.76 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2of5 h LEU 792 CO 0.17 0.30 0.03 0.25 -0.34 0.00 0.00 178.44 178.85 2of5 h LEU 793 N 0.73 0.33 -0.67 2.25 5.85 0.47 -1.39 115.31 122.88 2of5 h LEU 793 Ca 0.53 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 59.07 2of5 h LEU 793 Cb 0.87 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2of5 h LEU 793 CO -0.30 0.36 -0.65 0.28 -0.34 0.00 0.00 178.44 177.79 2of5 h SER 794 N 0.36 0.07 0.14 1.25 0.02 0.39 -2.46 113.55 113.32 2of5 h SER 794 Ca 0.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2of5 h SER 794 Cb 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2of5 h SER 794 CO 0.00 0.70 -0.07 0.58 -1.14 0.00 0.00 176.83 176.91 2of5 h VAL 795 N 0.04 1.01 -1.00 2.27 2.07 -0.16 -2.26 116.25 118.22 2of5 h VAL 795 Ca -0.01 -0.88 0.28 0.00 0.82 0.00 0.00 66.70 66.91 2of5 h VAL 795 Cb 1.16 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 2of5 h VAL 795 CO 0.09 0.20 0.70 0.00 0.02 0.00 0.00 177.57 178.58 2of5 h ALA 796 N 0.12 2.72 -0.09 1.67 0.00 -1.26 0.26 119.26 122.67 2of5 h ALA 796 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2of5 h ALA 796 Cb 0.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2of5 h ALA 796 CO 0.03 -1.03 -0.65 0.78 0.00 0.00 0.00 179.25 178.38 2of5 h GLY 797 N 0.13 0.40 1.52 0.00 0.00 -0.96 -3.08 103.07 101.08 2of5 h GLY 797 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2of5 h GLY 797 CO -0.08 0.47 -0.16 0.54 0.00 0.00 0.00 176.54 177.31 2of5 n ARG 798 N -3.87 0.14 -3.12 4.80 3.00 0.85 -4.85 116.66 113.60 2of5 n ARG 798 Ca -0.03 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.85 57.43 2of5 n ARG 798 Cb 0.65 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.55 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 -2.89 4.21 0.00 0.55 1.43 -0.82 -5.06 118.68 116.10 2of5 s LEU 799 Ca 0.16 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2of5 s LEU 799 Cb 0.19 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2of5 s LEU 799 CO 0.56 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.68 2of5 n GLY 800 N 0.21 4.27 0.00 -3.19 0.00 -1.26 -4.94 105.19 100.28 2of5 n GLY 800 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.27 0.99 4.77 -1.26 -1.77 117.00 118.46 2of5 n LEU 801 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2of5 n LEU 801 Cb 0.00 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 2of5 n LEU 801 CO 0.00 0.00 0.75 -0.90 -1.33 0.00 0.00 177.39 175.91 2of5 n ASP 802 N -0.78 3.70 -0.09 -1.43 3.85 -1.26 -4.40 116.55 116.14 2of5 n ASP 802 Ca 0.08 -2.12 -0.06 0.00 -0.71 0.00 0.00 54.79 51.98 2of5 n ASP 802 Cb 0.04 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 2of5 n ASP 802 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 2of5 h TRP 803 N 3.73 -0.29 -1.19 2.11 7.01 -1.71 -2.11 115.95 123.50 2of5 h TRP 803 Ca 0.00 0.03 0.34 0.00 2.11 0.00 0.00 58.89 61.37 2of5 h TRP 803 Cb 1.00 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 28.17 2of5 h TRP 803 CO 0.51 -0.19 0.83 -1.35 -2.79 0.00 0.00 178.44 175.45 2of5 h PRO 804 N -0.06 0.12 0.27 2.65 0.11 -1.87 -1.22 132.00 131.99 2of5 h PRO 804 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2of5 h PRO 804 Cb 0.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2of5 h PRO 804 CO -0.37 0.08 -0.13 0.00 -0.21 0.00 0.00 178.00 177.37 2of5 h ALA 805 N 1.47 -0.82 -1.32 -0.75 0.00 -1.71 0.80 119.26 116.93 2of5 h ALA 805 Ca 0.62 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.84 2of5 h ALA 805 Cb 2.14 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.97 2of5 h ALA 805 CO -0.13 -0.79 0.88 0.28 0.00 0.00 0.00 179.25 179.49 2of5 h VAL 806 N -0.46 0.25 -0.06 0.00 2.07 -1.37 0.59 116.25 117.28 2of5 h VAL 806 Ca -0.04 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 2of5 h VAL 806 Cb 0.27 0.11 0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2of5 h VAL 806 CO 0.06 0.02 -0.86 0.00 0.02 0.00 0.00 177.57 176.81 2of5 h ALA 807 N 1.49 0.18 -0.35 1.67 0.00 -1.05 -0.86 119.26 120.34 2of5 h ALA 807 Ca 0.74 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2of5 h ALA 807 Cb 2.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.23 2of5 h ALA 807 CO -0.26 0.62 0.01 -0.07 0.00 0.00 0.00 179.25 179.54 2of5 h LEU 808 N 0.35 0.59 -1.13 0.00 3.38 0.26 0.14 115.31 118.91 2of5 h LEU 808 Ca -0.09 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2of5 h LEU 808 Cb 1.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2of5 h LEU 808 CO 0.17 0.75 -0.18 0.45 0.09 0.00 0.00 178.44 179.72 2of5 h HIS 809 N 0.42 0.43 0.00 1.13 3.86 -1.03 0.35 115.15 120.31 2of5 h HIS 809 Ca 0.10 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2of5 h HIS 809 Cb 0.44 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2of5 h HIS 809 CO 0.03 0.56 0.00 1.28 0.86 0.00 0.00 177.93 180.67 2of5 n LEU 810 N -4.19 0.00 0.00 2.43 4.77 -0.33 -4.81 117.00 114.88 2of5 n LEU 810 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2of5 n LEU 810 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2of5 n LEU 810 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2of5 n GLY 811 N 0.03 0.39 3.80 -0.72 0.00 0.12 -5.04 105.19 103.77 2of5 n GLY 811 Ca 0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 4.44 0.65 1.61 1.01 0.46 -4.99 120.40 121.58 2of5 s VAL 812 Ca 0.00 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 2of5 s VAL 812 Cb 0.00 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2of5 s VAL 812 CO 0.00 0.18 1.14 -0.94 0.00 0.00 0.00 175.10 175.48 2of5 s SER 813 N -1.64 4.99 0.21 3.32 1.04 -1.26 -4.33 113.70 116.03 2of5 s SER 813 Ca 0.46 2.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.98 2of5 s SER 813 Cb -0.17 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.55 2of5 s SER 813 CO 0.22 -1.71 1.61 0.22 0.98 0.00 0.00 173.24 174.55 2of5 h TYR 814 N 0.19 0.87 -0.63 5.02 3.20 -1.97 -1.67 116.97 121.97 2of5 h TYR 814 Ca -0.48 -0.21 0.11 0.00 3.14 0.00 0.00 58.73 61.29 2of5 h TYR 814 Cb 1.26 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 2of5 h TYR 814 CO 0.52 0.94 0.42 -0.09 -1.64 0.00 0.00 178.16 178.31 2of5 h ARG 815 N 0.64 0.38 0.16 1.82 1.12 -2.00 -1.28 114.38 115.23 2of5 h ARG 815 Ca 0.08 -0.02 -0.30 0.00 -1.11 0.00 0.00 59.98 58.62 2of5 h ARG 815 Cb 0.79 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.68 2of5 h ARG 815 CO 0.07 0.25 -1.40 0.93 -3.11 0.00 0.00 179.97 176.71 2of5 h GLU 816 N 0.40 0.34 -0.80 0.20 4.39 -1.76 -2.47 114.58 114.88 2of5 h GLU 816 Ca 0.30 -0.58 0.06 0.00 0.34 0.00 0.00 59.36 59.48 2of5 h GLU 816 Cb 0.63 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 2of5 h GLU 816 CO -0.08 1.26 0.48 0.28 -1.16 0.00 0.00 179.01 179.78 2of5 h VAL 817 N 0.09 1.01 -0.00 3.13 2.07 -0.37 -1.08 116.25 121.09 2of5 h VAL 817 Ca -0.20 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2of5 h VAL 817 Cb 2.04 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2of5 h VAL 817 CO 0.21 0.16 0.00 -0.61 0.02 0.00 0.00 177.57 177.35 2of5 h GLN 818 N 0.87 0.00 -0.83 1.57 4.15 -1.37 -1.69 115.11 117.81 2of5 h GLN 818 Ca 0.35 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.93 2of5 h GLN 818 Cb 0.19 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 2of5 h GLN 818 CO -0.18 0.01 0.54 -0.09 -1.93 0.00 0.00 178.83 177.19 2of5 h ARG 819 N -0.01 0.50 -0.02 1.69 2.43 -0.79 -0.50 114.38 117.68 2of5 h ARG 819 Ca 0.00 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 2of5 h ARG 819 Cb 0.01 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2of5 h ARG 819 CO -0.00 0.33 -0.84 0.82 -1.51 0.00 0.00 179.97 178.77 2of5 h ILE 820 N 0.51 1.33 -0.22 1.20 2.04 -0.90 -2.32 117.51 119.16 2of5 h ILE 820 Ca 0.41 -2.14 0.06 0.00 1.00 0.00 0.00 64.86 64.20 2of5 h ILE 820 Cb 0.85 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2of5 h ILE 820 CO -0.16 0.65 0.25 -0.09 0.00 0.00 0.00 178.15 178.80 2of5 h ARG 821 N 0.23 0.00 0.00 2.37 2.43 -0.19 -2.74 114.38 116.49 2of5 h ARG 821 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2of5 h ARG 821 Cb 1.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 2of5 h ARG 821 CO 0.17 0.00 -0.04 1.25 -1.51 0.00 0.00 179.97 179.84 2of5 h HIS 822 N 0.00 0.00 0.00 2.20 2.76 -1.10 -2.54 115.15 116.47 2of5 h HIS 822 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2of5 h HIS 822 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.55 2of5 h HIS 822 CO 0.00 0.00 0.62 1.49 -1.30 0.00 0.00 177.93 178.74 2of5 h GLU 823 N -0.71 0.00 -0.33 5.26 4.81 -1.19 -0.36 114.58 122.07 2of5 h GLU 823 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2of5 h GLU 823 Cb 0.04 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.03 2of5 h GLU 823 CO 0.00 0.00 -1.06 1.19 -0.73 0.00 0.00 179.01 178.41 2of5 n PHE 824 N -2.39 0.87 -0.33 0.92 3.01 -1.05 -4.96 117.46 113.53 2of5 n PHE 824 Ca -0.01 -1.79 0.30 0.00 1.01 0.00 0.00 57.45 56.96 2of5 n PHE 824 Cb 0.63 -0.14 0.63 0.00 -0.01 0.00 0.00 39.48 40.60 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 2.21 0.18 -0.00 -1.08 -0.00 -0.60 0.86 114.38 115.95 2of5 h ARG 825 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.80 2of5 h ARG 825 Cb 1.40 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 2of5 h ARG 825 CO 0.15 0.12 -0.35 -0.40 -0.00 0.00 0.00 179.97 179.48 2of5 n ASP 826 N -4.42 0.57 -3.81 0.08 3.85 -1.26 -4.76 116.55 106.80 2of5 n ASP 826 Ca 0.26 -0.36 -0.29 0.00 -0.71 0.00 0.00 54.79 53.69 2of5 n ASP 826 Cb 1.09 0.11 -0.16 0.00 -1.35 0.00 0.00 41.12 40.81 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 -2.83 3.45 0.02 -1.12 3.68 0.30 -4.99 116.67 115.18 2of5 s ASP 827 Ca 0.16 -1.11 -0.25 0.00 2.13 0.00 0.00 52.55 53.49 2of5 s ASP 827 Cb 0.18 -0.85 -0.17 0.00 -1.45 0.00 0.00 42.92 40.62 2of5 s ASP 827 CO 0.62 -0.30 1.37 0.25 0.13 0.00 0.00 175.17 177.23 2of5 h LEU 828 N 8.11 -0.21 -1.07 -1.34 5.85 -1.86 -2.91 115.31 121.89 2of5 h LEU 828 Ca -0.16 -0.21 0.32 0.00 0.84 0.00 0.00 57.88 58.67 2of5 h LEU 828 Cb 1.08 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.03 2of5 h LEU 828 CO 0.39 0.11 0.61 0.44 -0.34 0.00 0.00 178.44 179.64 2of5 h ASP 829 N -0.53 0.50 -0.02 1.25 3.32 -1.94 0.90 116.42 119.90 2of5 h ASP 829 Ca -0.02 0.17 -0.24 0.00 0.02 0.00 0.00 57.03 56.96 2of5 h ASP 829 Cb 0.40 0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2of5 h ASP 829 CO 0.04 -0.10 -0.91 -0.08 -1.72 0.00 0.00 179.24 176.47 2of5 h GLU 830 N 0.33 0.71 -0.27 3.56 4.57 -1.88 -1.76 114.58 119.84 2of5 h GLU 830 Ca 0.72 -0.67 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2of5 h GLU 830 Cb 1.70 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.44 2of5 h GLU 830 CO -0.55 1.26 0.17 -0.56 -1.18 0.00 0.00 179.01 178.15 2of5 h GLN 831 N 0.44 0.36 -0.09 1.92 3.07 -0.68 1.02 115.11 121.16 2of5 h GLN 831 Ca -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2of5 h GLN 831 Cb 1.55 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.02 2of5 h GLN 831 CO 0.18 0.27 0.02 0.82 0.09 0.00 0.00 178.83 180.22 2of5 h ILE 832 N 0.35 1.05 0.09 1.86 2.04 -1.29 -0.47 117.51 121.13 2of5 h ILE 832 Ca 0.10 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2of5 h ILE 832 Cb -0.00 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2of5 h ILE 832 CO -0.02 0.06 -0.04 -0.09 0.00 0.00 0.00 178.15 178.05 2of5 h ARG 833 N 0.12 -0.12 -0.76 2.37 2.43 -0.24 -3.14 114.38 115.05 2of5 h ARG 833 Ca 0.03 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2of5 h ARG 833 Cb 0.05 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 2of5 h ARG 833 CO -0.00 0.34 0.50 1.25 -1.51 0.00 0.00 179.97 180.55 2of5 h HIS 834 N -0.94 0.83 0.67 2.20 2.76 0.13 -1.07 115.15 119.73 2of5 h HIS 834 Ca -0.01 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2of5 h HIS 834 Cb 0.52 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 29.21 2of5 h HIS 834 CO 0.11 0.45 -0.32 1.98 -1.30 0.00 0.00 177.93 178.84 2of5 h MET 835 N 0.83 -0.87 0.00 5.26 1.85 -1.20 -2.12 114.93 118.68 2of5 h MET 835 Ca 0.32 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.47 2of5 h MET 835 Cb 0.22 0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.44 2of5 h MET 835 CO -0.11 -0.57 0.00 1.28 -0.40 0.00 0.00 176.91 177.11 2of5 n LEU 836 N -5.47 0.00 0.16 3.39 4.32 -0.95 -1.88 117.00 116.57 2of5 n LEU 836 Ca -0.14 0.73 0.15 0.00 -0.02 0.00 0.00 56.01 56.74 2of5 n LEU 836 Cb 0.37 -0.23 0.49 0.00 -1.62 0.00 0.00 43.42 42.42 2of5 n LEU 836 CO 0.38 -0.23 1.13 -0.26 -1.22 0.00 0.00 177.39 177.19 2of5 h PHE 837 N 0.00 0.00 0.07 -1.77 -1.00 -1.33 0.44 116.94 113.35 2of5 h PHE 837 Ca 0.00 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.50 2of5 h PHE 837 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 2of5 h PHE 837 CO 0.01 0.00 -1.48 0.77 -1.61 0.00 0.00 178.31 176.01 2of5 h SER 838 N 0.00 0.22 0.27 2.17 0.02 -1.27 -0.96 113.55 114.00 2of5 h SER 838 Ca 0.15 -0.32 -0.17 0.00 -0.84 0.00 0.00 61.79 60.61 2of5 h SER 838 Cb 1.64 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2of5 h SER 838 CO -0.00 1.27 -0.67 -0.25 -1.14 0.00 0.00 176.83 176.04 2of5 h TRP 839 N 0.04 0.48 0.25 3.45 7.01 0.40 -1.27 115.95 126.32 2of5 h TRP 839 Ca -0.21 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.58 2of5 h TRP 839 Cb 1.96 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 28.94 2of5 h TRP 839 CO 0.04 0.93 -0.14 0.00 -2.79 0.00 0.00 178.44 176.47 2of5 h ALA 840 N 1.02 -0.36 -0.06 2.65 0.00 -0.39 -0.72 119.26 121.39 2of5 h ALA 840 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2of5 h ALA 840 Cb 1.22 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2of5 h ALA 840 CO 0.11 -0.71 -0.22 0.93 0.00 0.00 0.00 179.25 179.36 2of5 h GLU 841 N -0.37 -0.30 -0.01 0.00 4.39 -1.02 -0.03 114.58 117.24 2of5 h GLU 841 Ca -0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2of5 h GLU 841 Cb 0.30 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2of5 h GLU 841 CO 0.04 -0.20 -0.01 0.00 -1.16 0.00 0.00 179.01 177.68 2of5 h ARG 842 N -0.31 -0.00 0.00 2.33 3.08 -0.90 0.11 114.38 118.68 2of5 h ARG 842 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2of5 h ARG 842 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2of5 h ARG 842 CO -0.24 -0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.69 2of5 n GLN 843 N -2.77 0.25 -0.40 0.04 3.00 -0.31 -4.13 117.38 113.06 2of5 n GLN 843 Ca -0.00 0.00 0.33 0.00 -0.01 0.00 0.00 57.00 57.32 2of5 n GLN 843 Cb 0.00 -1.08 0.60 0.00 0.00 0.00 0.00 30.24 29.76 2of5 n GLN 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2of5 h ALA 844 N 1.67 2.51 0.00 -1.58 0.00 0.12 -2.38 119.26 119.60 2of5 h ALA 844 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2of5 h ALA 844 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2of5 h ALA 844 CO 0.00 -1.12 -0.56 0.78 0.00 0.00 0.00 179.25 178.35 2of5 h GLY 845 N 0.15 0.00 -3.51 0.00 0.00 -1.81 -3.46 103.07 94.44 2of5 h GLY 845 Ca 0.78 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.61 2of5 h GLY 845 CO -0.46 0.00 -0.70 -1.06 0.00 0.00 0.00 176.54 174.32 2of5 n GLN 846 N -4.59 0.00 -0.02 4.80 1.13 -0.90 -4.98 117.38 112.83 2of5 n GLN 846 Ca -0.14 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.91 2of5 n GLN 846 Cb 0.39 -0.79 -0.00 0.00 0.11 0.00 0.00 30.24 29.94 2of5 n GLN 846 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2of5 h PRO 847 N 0.34 -0.05 -0.02 -1.09 0.13 -1.94 -3.35 132.00 126.03 2of5 h PRO 847 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2of5 h PRO 847 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2of5 h PRO 847 CO 0.38 -0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 2of5 n GLY 848 N 1.66 -0.05 0.00 1.56 0.00 -1.26 -4.16 105.19 102.95 2of5 n GLY 848 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.31 -0.02 0.31 4.61 0.00 -1.26 -0.31 120.51 123.53 2of5 n ALA 849 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2of5 n ALA 849 Cb 0.00 0.20 0.58 0.00 0.00 0.00 0.00 19.45 20.24 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 0.00 0.06 0.00 2.07 -1.91 0.31 116.25 116.79 2of5 h VAL 850 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 2of5 h VAL 850 Cb 0.00 0.47 0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2of5 h VAL 850 CO 0.00 0.00 -0.63 1.23 0.02 0.00 0.00 177.57 178.19 2of5 h GLY 851 N 0.00 0.36 0.98 2.17 0.00 -1.39 -3.04 103.07 102.14 2of5 h GLY 851 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.61 2of5 h GLY 851 CO 0.00 0.66 0.65 1.41 0.00 0.00 0.00 176.54 179.25 2of5 h LEU 852 N -0.30 1.10 0.43 3.11 3.38 0.27 -1.84 115.31 121.46 2of5 h LEU 852 Ca -0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2of5 h LEU 852 Cb 1.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2of5 h LEU 852 CO 0.12 0.78 -0.21 0.25 0.09 0.00 0.00 178.44 179.47 2of5 h LEU 853 N 1.29 -0.49 -0.68 1.67 6.46 -1.55 -0.01 115.31 122.00 2of5 h LEU 853 Ca 0.37 -0.05 0.12 0.00 -0.12 0.00 0.00 57.88 58.20 2of5 h LEU 853 Cb -0.08 0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 2of5 h LEU 853 CO -0.10 -0.25 0.25 0.58 -0.62 0.00 0.00 178.44 178.31 2of5 h VAL 854 N -0.72 0.70 0.30 1.05 2.07 -1.39 0.20 116.25 118.45 2of5 h VAL 854 Ca -0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2of5 h VAL 854 Cb 0.52 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2of5 h VAL 854 CO 0.10 0.08 -0.14 -0.61 0.02 0.00 0.00 177.57 177.01 2of5 h GLN 855 N 0.41 -0.39 -0.95 1.57 4.15 -1.20 -1.06 115.11 117.65 2of5 h GLN 855 Ca 0.36 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.95 2of5 h GLN 855 Cb 0.51 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.19 2of5 h GLN 855 CO -0.37 -0.22 0.56 0.00 -1.93 0.00 0.00 178.83 176.88 2of5 h ALA 856 N 0.22 1.45 0.00 3.38 0.00 0.13 0.17 119.26 124.62 2of5 h ALA 856 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2of5 h ALA 856 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2of5 h ALA 856 CO 0.07 0.07 -0.36 -0.07 0.00 0.00 0.00 179.25 178.96 2of5 h LEU 857 N 0.83 0.00 0.14 0.00 3.38 -0.35 -0.74 115.31 118.57 2of5 h LEU 857 Ca 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2of5 h LEU 857 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2of5 h LEU 857 CO -0.31 0.36 -0.07 -0.33 0.09 0.00 0.00 178.44 178.18 2of5 h GLU 858 N 0.00 -0.18 0.00 1.13 5.08 0.59 0.57 114.58 121.76 2of5 h GLU 858 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2of5 h GLU 858 Cb 0.71 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2of5 h GLU 858 CO 0.05 0.25 -0.06 1.96 -1.00 0.00 0.00 179.01 180.21 2of5 h GLN 859 N -0.70 0.00 -0.10 2.33 4.20 -0.93 0.21 115.11 120.11 2of5 h GLN 859 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2of5 h GLN 859 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2of5 h GLN 859 CO 0.03 0.06 0.00 0.43 -0.67 0.00 0.00 178.83 178.68 2of5 n SER 860 N -3.51 0.77 -2.12 1.46 7.64 -0.29 -4.88 113.62 112.68 2of5 n SER 860 Ca -0.02 -1.70 -0.10 0.00 1.01 0.00 0.00 58.87 58.06 2of5 n SER 860 Cb 0.18 -0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.21 -2.96 -2.59 6.43 -0.08 0.06 -4.92 116.55 112.29 2of5 n ASP 861 Ca 0.12 -0.29 -0.15 0.00 -1.51 0.00 0.00 54.79 52.95 2of5 n ASP 861 Cb 0.16 -2.76 0.02 0.00 2.34 0.00 0.00 41.12 40.89 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 -2.62 2.05 -0.31 -0.67 5.12 0.19 -4.82 116.66 115.60 2of5 n ARG 862 Ca -0.08 -3.74 0.16 0.00 -1.93 0.00 0.00 57.85 52.27 2of5 n ARG 862 Cb 0.56 -1.65 0.34 0.00 -1.16 0.00 0.00 32.46 30.55 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 2.81 0.16 -0.05 5.56 5.75 -1.80 0.39 115.11 127.94 2of5 h GLN 863 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2of5 h GLN 863 Cb 1.10 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 2of5 h GLN 863 CO 0.62 0.10 -0.03 -3.47 -2.65 0.00 0.00 178.83 173.40 2of5 n ASP 864 N -5.26 -0.05 0.08 -0.69 2.03 -1.26 0.05 116.55 111.45 2of5 n ASP 864 Ca 0.24 0.30 -0.10 0.00 0.52 0.00 0.00 54.79 55.75 2of5 n ASP 864 Cb 0.78 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 41.06 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 1.46 -0.87 5.18 2.07 -0.64 -3.28 116.25 120.17 2of5 h VAL 865 Ca 0.01 -2.51 0.09 0.00 0.82 0.00 0.00 66.70 65.11 2of5 h VAL 865 Cb 0.02 2.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 2of5 h VAL 865 CO -0.04 0.74 0.53 0.00 0.02 0.00 0.00 177.57 178.81 2of5 h ALA 866 N 0.92 1.24 -0.17 1.67 0.00 0.10 -1.64 119.26 121.39 2of5 h ALA 866 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2of5 h ALA 866 Cb 1.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2of5 h ALA 866 CO 0.14 0.19 -0.27 0.93 0.00 0.00 0.00 179.25 180.24 2of5 h GLU 867 N 0.90 0.31 0.00 0.00 5.08 -1.12 -0.89 114.58 118.87 2of5 h GLU 867 Ca 0.41 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2of5 h GLU 867 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2of5 h GLU 867 CO -0.22 0.57 -0.00 1.49 -1.00 0.00 0.00 179.01 179.84 2of5 h GLU 868 N 0.28 -0.00 -0.06 2.33 4.81 -1.40 -1.69 114.58 118.85 2of5 h GLU 868 Ca 0.04 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2of5 h GLU 868 Cb 0.63 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2of5 h GLU 868 CO 0.05 0.25 -0.07 0.28 -0.73 0.00 0.00 179.01 178.79 2of5 h VAL 869 N -0.26 0.80 -0.98 0.32 2.07 -1.24 -0.31 116.25 116.64 2of5 h VAL 869 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 2of5 h VAL 869 Cb 0.26 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 2of5 h VAL 869 CO 0.00 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.21 2of5 h ARG 870 N -0.10 0.77 0.00 1.57 3.08 -1.12 -1.85 114.38 116.73 2of5 h ARG 870 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2of5 h ARG 870 Cb 0.17 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2of5 h ARG 870 CO -0.12 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 2of5 n ALA 871 N -2.34 -0.21 -0.27 0.04 0.00 -0.49 -2.19 120.51 115.05 2of5 n ALA 871 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.73 2of5 n ALA 871 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.30 -0.32 -0.19 0.00 3.14 -0.25 0.31 118.33 119.72 2of5 n VAL 872 Ca 0.00 1.72 0.24 0.00 -2.96 0.00 0.00 64.34 63.34 2of5 n VAL 872 Cb 0.00 -2.42 0.64 0.00 -1.06 0.00 0.00 33.84 30.99 2of5 n VAL 872 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2of5 h LEU 873 N 0.00 0.16 -8.16 6.55 7.12 -1.33 -3.41 115.31 116.25 2of5 h LEU 873 Ca 0.40 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 58.32 2of5 h LEU 873 Cb 0.70 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.78 2of5 h LEU 873 CO -0.76 0.06 0.70 1.21 -0.13 0.00 0.00 178.44 179.52 2of5 n GLU 874 N -4.38 0.26 0.00 1.25 2.13 0.91 -4.49 120.64 116.32 2of5 n GLU 874 Ca 0.18 -0.66 0.00 0.00 0.66 0.00 0.00 57.16 57.34 2of5 n GLU 874 Cb 0.82 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.85 2of5 n GLU 874 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2of5 n LEU 875 N 13.66 0.00 0.00 4.31 0.00 -1.26 -5.07 117.00 128.64 2of5 n LEU 875 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.48 2of5 n LEU 875 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.78 2of5 n LEU 875 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.71