#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 2.84 -3.55 6.12 2.85 -1.26 -4.20 115.26 118.06 2of5 n ASN 778 Ca 0.00 -2.71 -0.29 0.00 -0.11 0.00 0.00 54.58 51.47 2of5 n ASN 778 Cb 0.00 -1.27 -0.15 0.00 1.24 0.00 0.00 39.78 39.59 2of5 n ASN 778 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2of5 s LEU 779 N 2.40 0.59 0.00 1.20 0.20 -1.26 -4.51 118.68 117.30 2of5 s LEU 779 Ca 0.57 -1.26 0.00 0.00 0.69 0.00 0.00 54.13 54.13 2of5 s LEU 779 Cb 0.13 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.52 2of5 s LEU 779 CO 0.09 -0.43 0.00 0.61 -0.29 0.00 0.00 176.35 176.33 2of5 n GLY 780 N 5.24 0.35 3.57 7.98 0.00 -1.26 -2.19 105.19 118.87 2of5 n GLY 780 Ca -0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.00 -0.28 0.41 1.61 3.84 -1.02 -4.86 116.67 112.37 2of5 s ASP 781 Ca 0.00 0.16 0.17 0.00 -0.00 0.00 0.00 52.55 52.87 2of5 s ASP 781 Cb 0.00 0.26 1.06 0.00 -1.38 0.00 0.00 42.92 42.86 2of5 s ASP 781 CO 0.00 -0.37 1.86 0.00 -0.00 0.00 0.00 175.17 176.66 2of5 h ALA 782 N 2.22 2.16 0.20 2.11 0.00 -1.98 -1.30 119.26 122.67 2of5 h ALA 782 Ca -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2of5 h ALA 782 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2of5 h ALA 782 CO 0.28 -0.44 -0.09 1.49 0.00 0.00 0.00 179.25 180.49 2of5 h GLU 783 N 0.43 -0.25 -0.18 0.00 4.81 -1.97 -3.39 114.58 114.03 2of5 h GLU 783 Ca 0.46 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 2of5 h GLU 783 Cb 1.10 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2of5 h GLU 783 CO -0.17 -0.17 0.07 1.15 -0.73 0.00 0.00 179.01 179.16 2of5 h THR 784 N -0.83 1.16 0.00 0.32 2.02 -1.84 -3.39 112.91 110.35 2of5 h THR 784 Ca -0.03 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2of5 h THR 784 Cb 0.20 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2of5 h THR 784 CO 0.04 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.70 2of5 n GLY 785 N -0.69 3.25 3.49 2.16 0.00 -0.49 -2.97 105.19 109.93 2of5 n GLY 785 Ca -0.04 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.05 2.28 0.02 1.61 0.40 -1.26 -2.44 117.98 116.55 2of5 s PHE 786 Ca 0.00 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2of5 s PHE 786 Cb 0.00 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 2of5 s PHE 786 CO 0.00 0.63 0.04 -0.51 0.70 0.00 0.00 175.22 176.08 2of5 s LEU 787 N -3.53 3.66 0.23 -0.37 1.43 -0.93 -4.80 118.68 114.38 2of5 s LEU 787 Ca 0.30 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2of5 s LEU 787 Cb -0.02 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2of5 s LEU 787 CO 0.15 0.25 0.42 0.42 0.23 0.00 0.00 176.35 177.82 2of5 s THR 788 N -1.18 5.18 0.27 5.49 -4.23 -1.26 -2.51 115.64 117.40 2of5 s THR 788 Ca 0.22 -0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 2of5 s THR 788 Cb -0.12 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.33 2of5 s THR 788 CO 0.14 -0.25 1.59 -0.61 -0.54 0.00 0.00 174.62 174.95 2of5 h GLN 789 N 1.73 0.03 0.00 3.99 5.75 -1.99 0.75 115.11 125.36 2of5 h GLN 789 Ca -0.49 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 2of5 h GLN 789 Cb 1.20 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2of5 h GLN 789 CO 0.66 0.02 -0.20 0.66 -2.65 0.00 0.00 178.83 177.32 2of5 h SER 790 N 0.03 0.00 -0.11 -0.69 4.64 -1.96 0.65 113.55 116.11 2of5 h SER 790 Ca 0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.78 2of5 h SER 790 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2of5 h SER 790 CO -0.86 0.20 -0.00 0.78 -0.87 0.00 0.00 176.83 176.08 2of5 h ASN 791 N 0.00 0.19 -0.16 4.97 -0.26 0.12 -0.41 115.58 120.03 2of5 h ASN 791 Ca -0.00 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.40 2of5 h ASN 791 Cb 0.39 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 2of5 h ASN 791 CO 0.03 0.46 0.00 0.25 -1.06 0.00 0.00 177.43 177.11 2of5 h LEU 792 N -0.09 0.27 -1.64 1.61 5.85 -1.18 -2.32 115.31 117.80 2of5 h LEU 792 Ca 0.03 -0.30 0.31 0.00 0.84 0.00 0.00 57.88 58.76 2of5 h LEU 792 Cb 0.36 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2of5 h LEU 792 CO 0.01 0.50 0.76 0.25 -0.34 0.00 0.00 178.44 179.62 2of5 h LEU 793 N 0.03 0.24 0.06 2.25 7.12 -0.75 0.51 115.31 124.76 2of5 h LEU 793 Ca 0.05 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 2of5 h LEU 793 Cb 0.36 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2of5 h LEU 793 CO 0.01 0.03 -0.03 0.28 -0.13 0.00 0.00 178.44 178.60 2of5 h SER 794 N 0.20 -0.07 -0.50 1.25 0.02 -0.61 -1.02 113.55 112.83 2of5 h SER 794 Ca 0.59 -0.50 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2of5 h SER 794 Cb 1.90 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 64.36 2of5 h SER 794 CO -0.18 0.49 -0.15 0.58 -1.14 0.00 0.00 176.83 176.43 2of5 h VAL 795 N -0.66 0.46 -0.68 2.27 2.07 0.29 0.16 116.25 120.15 2of5 h VAL 795 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2of5 h VAL 795 Cb 0.56 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2of5 h VAL 795 CO 0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 2of5 h ALA 796 N 1.44 0.91 0.00 1.67 0.00 -0.22 -1.36 119.26 121.70 2of5 h ALA 796 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2of5 h ALA 796 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2of5 h ALA 796 CO -0.53 0.09 -0.10 0.78 0.00 0.00 0.00 179.25 179.50 2of5 h GLY 797 N 0.74 0.00 0.37 0.00 0.00 0.59 -2.57 103.07 102.20 2of5 h GLY 797 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2of5 h GLY 797 CO -0.16 0.00 -0.49 0.54 0.00 0.00 0.00 176.54 176.43 2of5 n ARG 798 N -3.49 0.43 -2.99 4.80 1.74 0.04 -4.89 116.66 112.30 2of5 n ARG 798 Ca -0.01 -0.28 -0.27 0.00 -0.77 0.00 0.00 57.85 56.52 2of5 n ARG 798 Cb 0.24 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 2of5 n ARG 798 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2of5 s LEU 799 N -2.77 3.83 0.00 0.55 1.43 -0.95 -5.04 118.68 115.73 2of5 s LEU 799 Ca 0.16 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2of5 s LEU 799 Cb 0.18 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2of5 s LEU 799 CO 0.65 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 177.42 2of5 n GLY 800 N -1.85 4.44 0.15 -3.19 0.00 -1.26 -4.94 105.19 98.54 2of5 n GLY 800 Ca -0.01 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.55 2of5 n GLY 800 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2of5 h LEU 801 N 0.00 0.00 -0.76 0.99 3.38 -1.99 -2.44 115.31 114.49 2of5 h LEU 801 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2of5 h LEU 801 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2of5 h LEU 801 CO 0.00 0.00 -0.34 -2.24 0.09 0.00 0.00 178.44 175.95 2of5 h ASP 802 N 0.00 0.00 -0.33 -0.43 -0.00 -2.00 -3.38 116.42 110.29 2of5 h ASP 802 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.03 57.09 2of5 h ASP 802 Cb 0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.57 2of5 h ASP 802 CO 0.00 0.34 -0.10 1.87 -0.00 0.00 0.00 179.24 181.35 2of5 n TRP 803 N -3.40 0.07 -0.36 4.15 -0.00 -0.92 0.15 117.44 117.14 2of5 n TRP 803 Ca 0.01 0.40 0.10 0.00 -0.00 0.00 0.00 57.50 58.00 2of5 n TRP 803 Cb 0.53 -0.66 0.28 0.00 -0.00 0.00 0.00 31.31 31.46 2of5 n TRP 803 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2of5 h PRO 804 N 0.00 0.86 -0.26 5.87 0.11 -1.86 0.15 132.00 136.88 2of5 h PRO 804 Ca 0.14 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.26 2of5 h PRO 804 Cb 0.22 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.07 2of5 h PRO 804 CO -0.33 0.57 -0.17 0.00 -0.21 0.00 0.00 178.00 177.86 2of5 h ALA 805 N 1.59 0.02 0.90 -0.75 0.00 0.11 0.54 119.26 121.67 2of5 h ALA 805 Ca 0.53 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 2of5 h ALA 805 Cb 0.68 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2of5 h ALA 805 CO -0.31 -0.58 -0.43 0.28 0.00 0.00 0.00 179.25 178.21 2of5 h VAL 806 N -0.15 0.00 -0.95 0.00 2.07 -1.00 -2.07 116.25 114.15 2of5 h VAL 806 Ca 0.14 -0.04 0.30 0.00 0.82 0.00 0.00 66.70 67.92 2of5 h VAL 806 Cb 0.36 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.98 2of5 h VAL 806 CO -0.35 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.59 2of5 h ALA 807 N -1.40 1.61 -0.39 1.67 0.00 -0.50 0.90 119.26 121.14 2of5 h ALA 807 Ca -0.12 0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2of5 h ALA 807 Cb 0.93 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2of5 h ALA 807 CO 0.20 -0.60 -0.37 -0.07 0.00 0.00 0.00 179.25 178.42 2of5 h LEU 808 N 0.17 0.99 -0.57 0.00 3.38 -0.79 0.20 115.31 118.69 2of5 h LEU 808 Ca 0.66 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 2of5 h LEU 808 Cb 1.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2of5 h LEU 808 CO -0.70 1.24 -0.25 0.45 0.09 0.00 0.00 178.44 179.26 2of5 h HIS 809 N 0.76 1.01 0.00 1.13 3.86 0.28 0.11 115.15 122.30 2of5 h HIS 809 Ca 0.07 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2of5 h HIS 809 Cb 0.96 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.19 2of5 h HIS 809 CO 0.06 1.03 0.00 1.28 0.86 0.00 0.00 177.93 181.16 2of5 n LEU 810 N -4.10 0.00 0.00 2.43 4.77 0.27 -4.77 117.00 115.61 2of5 n LEU 810 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2of5 n LEU 810 Cb 0.46 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2of5 n LEU 810 CO 0.46 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2of5 n GLY 811 N -1.15 0.63 3.80 -0.72 0.00 0.38 -5.04 105.19 103.09 2of5 n GLY 811 Ca 0.01 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 4.53 0.39 1.61 1.01 0.68 -4.99 120.40 121.64 2of5 s VAL 812 Ca 0.00 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2of5 s VAL 812 Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2of5 s VAL 812 CO 0.00 0.34 1.49 -0.24 0.00 0.00 0.00 175.10 176.69 2of5 n SER 813 N 1.10 3.76 0.27 3.32 2.88 -1.26 -4.49 113.62 119.19 2of5 n SER 813 Ca -0.04 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 58.84 2of5 n SER 813 Cb 0.50 -1.62 0.75 0.00 -0.75 0.00 0.00 64.21 63.09 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 2.84 0.00 -0.21 0.66 3.20 -1.97 -0.44 116.97 121.05 2of5 h TYR 814 Ca -0.51 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.21 2of5 h TYR 814 Cb 1.25 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2of5 h TYR 814 CO 0.52 0.10 -0.49 -0.09 -1.64 0.00 0.00 178.16 176.56 2of5 h ARG 815 N 0.00 0.57 -0.23 1.82 1.12 -1.98 0.22 114.38 115.90 2of5 h ARG 815 Ca -0.00 -0.33 -0.14 0.00 -1.11 0.00 0.00 59.98 58.39 2of5 h ARG 815 Cb 0.29 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2of5 h ARG 815 CO 0.01 0.93 -0.42 0.93 -3.11 0.00 0.00 179.97 178.32 2of5 h GLU 816 N 0.45 0.69 0.32 0.20 4.39 -1.50 0.31 114.58 119.44 2of5 h GLU 816 Ca 0.02 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 2of5 h GLU 816 Cb 1.02 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2of5 h GLU 816 CO 0.09 1.06 -0.15 0.28 -1.16 0.00 0.00 179.01 179.13 2of5 h VAL 817 N 0.41 0.69 -0.63 3.13 2.07 -1.07 -0.72 116.25 120.14 2of5 h VAL 817 Ca 0.01 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.59 2of5 h VAL 817 Cb 1.02 0.74 -0.12 0.00 -1.52 0.00 0.00 31.29 31.40 2of5 h VAL 817 CO 0.09 0.02 -0.16 -0.61 0.02 0.00 0.00 177.57 176.93 2of5 h GLN 818 N -0.47 -0.01 0.77 1.57 5.75 -0.41 -0.04 115.11 122.27 2of5 h GLN 818 Ca -0.04 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2of5 h GLN 818 Cb 0.36 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 2of5 h GLN 818 CO 0.07 -0.00 -0.46 -0.09 -2.65 0.00 0.00 178.83 175.69 2of5 h ARG 819 N -0.01 -1.11 -0.59 1.69 2.43 -0.04 -2.57 114.38 114.18 2of5 h ARG 819 Ca 0.30 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 2of5 h ARG 819 Cb 0.46 0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 2of5 h ARG 819 CO -0.65 -0.74 0.05 0.82 -1.51 0.00 0.00 179.97 177.95 2of5 h ILE 820 N -1.15 0.57 -0.12 1.20 2.04 -0.77 0.63 117.51 119.91 2of5 h ILE 820 Ca -0.10 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2of5 h ILE 820 Cb 0.92 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2of5 h ILE 820 CO 0.11 0.03 0.18 -0.09 0.00 0.00 0.00 178.15 178.38 2of5 h ARG 821 N 0.17 0.00 0.02 2.37 2.43 -0.91 -2.26 114.38 116.21 2of5 h ARG 821 Ca 0.31 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.22 2of5 h ARG 821 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2of5 h ARG 821 CO -0.46 0.00 -1.40 1.25 -1.51 0.00 0.00 179.97 177.85 2of5 h HIS 822 N 0.00 0.09 0.00 2.20 2.76 0.53 -3.03 115.15 117.69 2of5 h HIS 822 Ca 0.06 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2of5 h HIS 822 Cb 0.42 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2of5 h HIS 822 CO 0.00 1.55 0.19 1.49 -1.30 0.00 0.00 177.93 179.86 2of5 h GLU 823 N -0.82 0.00 -0.32 5.26 4.81 -0.23 -2.54 114.58 120.75 2of5 h GLU 823 Ca -0.37 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.62 2of5 h GLU 823 Cb 1.43 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.44 2of5 h GLU 823 CO -0.16 0.00 -1.03 1.19 -0.73 0.00 0.00 179.01 178.28 2of5 n PHE 824 N -2.88 0.99 -0.33 0.92 3.01 -0.90 -4.96 117.46 113.32 2of5 n PHE 824 Ca -0.02 -1.64 0.25 0.00 1.01 0.00 0.00 57.45 57.05 2of5 n PHE 824 Cb 0.25 -0.22 0.48 0.00 -0.01 0.00 0.00 39.48 39.98 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 2.01 0.17 -0.03 -1.08 0.11 -1.32 -1.48 114.38 112.76 2of5 h ARG 825 Ca -0.10 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.76 2of5 h ARG 825 Cb 1.47 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 32.52 2of5 h ARG 825 CO 0.21 0.11 -0.81 0.38 0.10 0.00 0.00 179.97 179.96 2of5 h ASP 826 N 0.18 0.77 -3.12 0.08 -0.00 -1.88 -3.43 116.42 109.02 2of5 h ASP 826 Ca 0.75 -0.72 -0.71 0.00 -0.00 0.00 0.00 57.03 56.35 2of5 h ASP 826 Cb 1.79 -0.23 -0.20 0.00 -0.00 0.00 0.00 39.33 40.69 2of5 h ASP 826 CO -0.69 1.38 -0.02 -0.62 -0.00 0.00 0.00 179.24 179.29 2of5 s ASP 827 N -7.03 6.19 0.11 4.15 3.68 -0.56 -4.93 116.67 118.28 2of5 s ASP 827 Ca -0.11 -1.26 -0.21 0.00 2.13 0.00 0.00 52.55 53.10 2of5 s ASP 827 Cb 0.06 -2.27 -0.11 0.00 -1.45 0.00 0.00 42.92 39.15 2of5 s ASP 827 CO 0.88 -0.93 1.75 0.25 0.13 0.00 0.00 175.17 177.25 2of5 h LEU 828 N 9.56 0.13 -0.51 -1.34 5.85 -1.83 -2.69 115.31 124.47 2of5 h LEU 828 Ca -0.29 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2of5 h LEU 828 Cb 1.10 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 2of5 h LEU 828 CO 1.01 0.11 0.06 0.44 -0.34 0.00 0.00 178.44 179.72 2of5 h ASP 829 N 0.14 -0.10 -0.19 1.25 3.32 -1.94 -1.33 116.42 117.57 2of5 h ASP 829 Ca 0.04 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2of5 h ASP 829 Cb -0.00 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2of5 h ASP 829 CO -0.01 -0.02 0.12 -0.08 -1.72 0.00 0.00 179.24 177.53 2of5 h GLU 830 N 0.18 0.26 0.58 3.56 4.57 -1.85 0.31 114.58 122.20 2of5 h GLU 830 Ca 0.26 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 2of5 h GLU 830 Cb 0.38 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2of5 h GLU 830 CO -0.38 0.18 -0.28 1.96 -1.18 0.00 0.00 179.01 179.31 2of5 h GLN 831 N 0.27 -0.75 -0.76 1.92 4.20 -0.96 -0.47 115.11 118.55 2of5 h GLN 831 Ca 0.07 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.01 2of5 h GLN 831 Cb -0.01 0.17 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 2of5 h GLN 831 CO -0.01 -0.50 0.15 0.82 -0.67 0.00 0.00 178.83 178.61 2of5 h ILE 832 N -0.87 0.44 -0.17 2.54 2.04 -1.04 -0.19 117.51 120.28 2of5 h ILE 832 Ca -0.08 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2of5 h ILE 832 Cb 0.60 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2of5 h ILE 832 CO 0.13 0.04 -0.04 0.03 0.00 0.00 0.00 178.15 178.31 2of5 h ARG 833 N 0.22 0.32 -0.30 2.37 3.08 -0.93 -2.07 114.38 117.08 2of5 h ARG 833 Ca 0.44 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.37 2of5 h ARG 833 Cb 0.78 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2of5 h ARG 833 CO -0.57 0.59 0.19 1.25 -1.07 0.00 0.00 179.97 180.36 2of5 h HIS 834 N 0.03 0.35 0.14 3.04 2.76 -0.32 -0.35 115.15 120.80 2of5 h HIS 834 Ca 0.04 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2of5 h HIS 834 Cb 0.47 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 2of5 h HIS 834 CO 0.05 0.21 -0.40 1.98 -1.30 0.00 0.00 177.93 178.47 2of5 h MET 835 N 0.38 -0.62 -0.32 5.26 1.85 -1.07 -0.22 114.93 120.19 2of5 h MET 835 Ca 0.11 0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.30 2of5 h MET 835 Cb -0.02 0.14 -0.05 0.00 0.43 0.00 0.00 31.60 32.10 2of5 h MET 835 CO -0.04 -0.42 0.00 -0.07 -0.40 0.00 0.00 176.91 175.99 2of5 h LEU 836 N -0.65 -0.12 -0.56 3.39 -0.00 -1.12 -1.38 115.31 114.88 2of5 h LEU 836 Ca 0.02 0.07 -0.14 0.00 -0.00 0.00 0.00 57.88 57.83 2of5 h LEU 836 Cb 0.67 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2of5 h LEU 836 CO -0.22 -0.03 -0.68 -0.26 -0.00 0.00 0.00 178.44 177.25 2of5 h PHE 837 N 0.09 0.00 -0.39 1.13 -1.00 -0.97 -1.50 116.94 114.31 2of5 h PHE 837 Ca 0.15 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.86 2of5 h PHE 837 Cb 0.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2of5 h PHE 837 CO -0.23 0.68 -0.05 0.77 -1.61 0.00 0.00 178.31 177.87 2of5 h SER 838 N 0.00 0.73 -0.89 2.17 0.02 -0.85 0.14 113.55 114.87 2of5 h SER 838 Ca -0.01 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2of5 h SER 838 Cb 1.25 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 2of5 h SER 838 CO 0.09 0.89 0.55 -0.25 -1.14 0.00 0.00 176.83 176.97 2of5 h TRP 839 N 0.54 1.17 -0.37 3.45 7.01 -1.13 -1.13 115.95 125.49 2of5 h TRP 839 Ca 0.11 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 2of5 h TRP 839 Cb 0.55 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 2of5 h TRP 839 CO 0.04 0.77 0.05 0.00 -2.79 0.00 0.00 178.44 176.51 2of5 h ALA 840 N 1.37 0.49 -0.46 2.65 0.00 -0.78 -1.80 119.26 120.74 2of5 h ALA 840 Ca 0.32 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2of5 h ALA 840 Cb -0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.48 2of5 h ALA 840 CO -0.06 0.21 -0.31 0.93 0.00 0.00 0.00 179.25 180.02 2of5 h GLU 841 N 0.46 -0.20 -0.15 0.00 4.39 0.46 0.17 114.58 119.71 2of5 h GLU 841 Ca 0.11 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2of5 h GLU 841 Cb 0.38 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2of5 h GLU 841 CO 0.01 -0.13 0.07 0.00 -1.16 0.00 0.00 179.01 177.79 2of5 h ARG 842 N -0.20 0.22 0.00 2.33 3.08 -1.22 -2.86 114.38 115.72 2of5 h ARG 842 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2of5 h ARG 842 Cb 0.53 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2of5 h ARG 842 CO -0.58 0.29 0.00 0.94 -1.07 0.00 0.00 179.97 179.55 2of5 n GLN 843 N -4.89 0.12 0.00 0.04 -0.06 -0.68 -4.43 117.38 107.48 2of5 n GLN 843 Ca -0.05 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2of5 n GLN 843 Cb 0.11 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 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 -1.41 0.00 -1.00 1.69 0.00 0.53 -2.62 120.51 117.70 2of5 n ALA 844 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2of5 n ALA 844 Cb 0.21 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.88 -1.82 0.00 0.00 0.00 -1.26 -4.75 105.19 96.47 2of5 n GLY 845 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.14 0.00 0.05 1.61 1.13 -1.08 -4.91 117.38 114.04 2of5 n GLN 846 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 2of5 n GLN 846 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 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 0.00 -0.16 -2.11 -1.09 0.13 -1.90 -3.45 132.00 123.42 2of5 h PRO 847 Ca 0.00 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.57 2of5 h PRO 847 Cb 0.00 0.04 -0.40 0.00 0.13 0.00 0.00 31.00 30.77 2of5 h PRO 847 CO 0.00 -0.11 -0.94 0.41 -0.23 0.00 0.00 178.00 177.13 2of5 n GLY 848 N 1.16 3.40 0.15 1.56 0.00 -1.26 -4.72 105.19 105.48 2of5 n GLY 848 Ca -0.02 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.10 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 4.20 0.78 0.00 4.61 0.00 -1.89 -2.67 119.26 124.29 2of5 h ALA 849 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2of5 h ALA 849 Cb 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2of5 h ALA 849 CO 0.57 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.68 2of5 h VAL 850 N 0.00 0.23 0.02 0.00 2.07 -1.90 0.47 116.25 117.13 2of5 h VAL 850 Ca -0.01 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2of5 h VAL 850 Cb 1.21 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2of5 h VAL 850 CO 0.07 0.07 -0.35 1.23 0.02 0.00 0.00 177.57 178.61 2of5 h GLY 851 N 1.52 0.23 0.64 2.17 0.00 -1.88 -2.01 103.07 103.74 2of5 h GLY 851 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 46.96 2of5 h GLY 851 CO 0.01 0.39 0.43 1.41 0.00 0.00 0.00 176.54 178.77 2of5 h LEU 852 N -0.47 0.63 -0.23 3.11 3.38 -1.15 0.22 115.31 120.79 2of5 h LEU 852 Ca -0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2of5 h LEU 852 Cb 1.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2of5 h LEU 852 CO 0.07 0.39 0.07 0.25 0.09 0.00 0.00 178.44 179.32 2of5 h LEU 853 N 0.76 0.34 -1.10 1.67 6.46 -0.99 0.29 115.31 122.74 2of5 h LEU 853 Ca 0.34 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2of5 h LEU 853 Cb 0.23 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2of5 h LEU 853 CO -0.20 0.45 0.18 0.58 -0.62 0.00 0.00 178.44 178.83 2of5 h VAL 854 N 0.21 1.21 -0.17 1.05 2.07 -0.66 -0.93 116.25 119.03 2of5 h VAL 854 Ca 0.07 -0.72 -0.18 0.00 0.82 0.00 0.00 66.70 66.70 2of5 h VAL 854 Cb 0.23 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2of5 h VAL 854 CO -0.00 0.28 -0.59 -0.61 0.02 0.00 0.00 177.57 176.66 2of5 h GLN 855 N 0.80 0.71 -0.72 1.57 4.15 -0.31 -2.39 115.11 118.91 2of5 h GLN 855 Ca 0.18 -0.53 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 2of5 h GLN 855 Cb 0.22 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2of5 h GLN 855 CO -0.01 1.15 0.28 0.00 -1.93 0.00 0.00 178.83 178.32 2of5 h ALA 856 N 0.56 0.94 -0.29 3.38 0.00 -0.18 0.21 119.26 123.88 2of5 h ALA 856 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2of5 h ALA 856 Cb 1.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2of5 h ALA 856 CO 0.12 0.57 -0.20 -0.07 0.00 0.00 0.00 179.25 179.67 2of5 h LEU 857 N 1.04 0.54 -0.99 0.00 3.38 -1.18 -1.92 115.31 116.19 2of5 h LEU 857 Ca 0.24 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2of5 h LEU 857 Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2of5 h LEU 857 CO -0.02 0.75 -0.25 -0.33 0.09 0.00 0.00 178.44 178.68 2of5 h GLU 858 N 0.48 0.44 -0.01 1.13 5.08 -0.80 0.21 114.58 121.12 2of5 h GLU 858 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2of5 h GLU 858 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2of5 h GLU 858 CO 0.04 0.66 -0.12 1.04 -1.00 0.00 0.00 179.01 179.63 2of5 n GLN 859 N -4.13 0.82 -0.28 2.33 6.02 -0.02 -2.79 117.38 119.33 2of5 n GLN 859 Ca -0.00 -0.33 0.10 0.00 -0.01 0.00 0.00 57.00 56.76 2of5 n GLN 859 Cb 0.40 -1.49 0.26 0.00 1.02 0.00 0.00 30.24 30.42 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 -0.80 3.58 -0.92 1.08 7.64 -0.76 -4.92 113.62 118.53 2of5 n SER 860 Ca 0.15 -1.98 -0.09 0.00 1.01 0.00 0.00 58.87 57.96 2of5 n SER 860 Cb 0.29 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.34 -3.25 -2.94 6.43 10.43 -1.12 -4.95 116.55 122.50 2of5 n ASP 861 Ca 0.20 0.04 -0.28 0.00 2.57 0.00 0.00 54.79 57.32 2of5 n ASP 861 Cb 0.57 -2.33 -0.03 0.00 1.84 0.00 0.00 41.12 41.17 2of5 n ASP 861 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2of5 n ARG 862 N -2.03 3.45 -0.35 -1.24 5.12 0.71 -4.68 116.66 117.65 2of5 n ARG 862 Ca -0.10 -4.79 0.06 0.00 -1.93 0.00 0.00 57.85 51.09 2of5 n ARG 862 Cb 0.52 -2.26 0.22 0.00 -1.16 0.00 0.00 32.46 29.77 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 3.03 0.95 -0.02 5.56 5.75 -1.83 -0.58 115.11 127.97 2of5 h GLN 863 Ca 0.19 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2of5 h GLN 863 Cb 0.53 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2of5 h GLN 863 CO 0.86 0.63 -0.01 -3.47 -2.65 0.00 0.00 178.83 174.19 2of5 n ASP 864 N -4.63 -0.02 0.07 -0.69 2.03 -1.26 -0.65 116.55 111.40 2of5 n ASP 864 Ca 0.18 0.38 -0.06 0.00 0.52 0.00 0.00 54.79 55.81 2of5 n ASP 864 Cb 0.32 -0.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.65 -0.59 5.18 2.07 -1.70 -3.19 116.25 119.66 2of5 h VAL 865 Ca 0.00 -3.18 0.08 0.00 0.82 0.00 0.00 66.70 64.42 2of5 h VAL 865 Cb 0.01 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2of5 h VAL 865 CO -0.01 0.90 0.26 0.00 0.02 0.00 0.00 177.57 178.74 2of5 h ALA 866 N 1.08 0.77 -0.22 1.67 0.00 0.65 0.77 119.26 123.98 2of5 h ALA 866 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2of5 h ALA 866 Cb 1.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2of5 h ALA 866 CO 0.12 -0.13 0.02 0.93 0.00 0.00 0.00 179.25 180.19 2of5 h GLU 867 N 0.48 0.38 -0.88 0.00 5.08 -1.01 -0.98 114.58 117.65 2of5 h GLU 867 Ca 0.29 -0.11 0.16 0.00 -1.00 0.00 0.00 59.36 58.70 2of5 h GLU 867 Cb 0.29 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2of5 h GLU 867 CO -0.25 0.54 0.57 1.49 -1.00 0.00 0.00 179.01 180.36 2of5 h GLU 868 N 0.17 0.57 -0.10 2.33 4.81 -1.33 -0.29 114.58 120.74 2of5 h GLU 868 Ca 0.07 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.05 2of5 h GLU 868 Cb 0.35 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2of5 h GLU 868 CO 0.01 0.38 -0.78 0.28 -0.73 0.00 0.00 179.01 178.16 2of5 h VAL 869 N 0.59 1.33 -0.48 0.32 2.07 -0.23 -3.15 116.25 116.71 2of5 h VAL 869 Ca 0.45 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 2of5 h VAL 869 Cb 0.84 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2of5 h VAL 869 CO -0.19 0.65 0.19 0.03 0.02 0.00 0.00 177.57 178.26 2of5 h ARG 870 N 0.39 0.72 -0.07 1.57 3.08 0.17 -1.74 114.38 118.50 2of5 h ARG 870 Ca -0.05 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.89 2of5 h ARG 870 Cb 1.39 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 2of5 h ARG 870 CO 0.15 0.65 -0.43 0.00 -1.07 0.00 0.00 179.97 179.27 2of5 h ALA 871 N 1.03 -0.82 0.60 0.04 0.00 -1.10 0.80 119.26 119.81 2of5 h ALA 871 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2of5 h ALA 871 Cb 0.20 0.90 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2of5 h ALA 871 CO -0.01 -0.97 -0.29 -0.24 0.00 0.00 0.00 179.25 177.74 2of5 h VAL 872 N -0.49 0.00 -0.91 0.00 3.04 -1.56 -3.27 116.25 113.06 2of5 h VAL 872 Ca 0.02 -0.16 0.12 0.00 -1.01 0.00 0.00 66.70 65.67 2of5 h VAL 872 Cb 0.55 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 29.70 2of5 h VAL 872 CO -0.33 0.00 -0.47 0.25 -1.01 0.00 0.00 177.57 176.02 2of5 h LEU 873 N -0.96 -1.70 -8.55 3.16 7.12 -1.27 -3.33 115.31 109.78 2of5 h LEU 873 Ca -0.08 0.30 -0.42 0.00 0.13 0.00 0.00 57.88 57.82 2of5 h LEU 873 Cb 0.61 0.81 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2of5 h LEU 873 CO 0.13 -0.28 1.41 -0.70 -0.13 0.00 0.00 178.44 178.87 2of5 s GLU 874 N -5.77 2.12 0.00 1.25 -6.30 0.28 -4.19 118.70 106.09 2of5 s GLU 874 Ca -0.13 1.16 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 2of5 s GLU 874 Cb 0.16 -4.59 0.00 0.00 0.00 0.00 0.00 34.13 29.70 2of5 s GLU 874 CO 0.67 -3.33 0.00 1.28 0.02 0.00 0.00 175.26 173.90 2of5 n LEU 875 N 15.74 0.26 -0.54 2.70 4.77 -1.25 -4.85 117.00 133.82 2of5 n LEU 875 Ca 0.35 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.47 2of5 n LEU 875 Cb 0.53 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.09 2of5 n LEU 875 CO 0.69 -0.20 0.84 0.61 -1.33 0.00 0.00 177.39 178.00