#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 n GLN 776 N 0.00 0.00 -0.07 2.12 -0.06 -1.26 -4.99 117.38 113.11 1sr2 n GLN 776 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.80 1sr2 n GLN 776 Cb 0.00 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.05 1sr2 n GLN 776 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1sr2 n GLU 777 N -3.13 0.69 -3.21 3.69 0.28 -1.26 -4.64 120.64 113.05 1sr2 n GLU 777 Ca 0.00 0.23 -0.43 0.00 -0.16 0.00 0.00 57.16 56.80 1sr2 n GLU 777 Cb 0.00 -1.61 -0.00 0.00 1.43 0.00 0.00 31.44 31.26 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sr2 n ALA 778 N -3.23 4.63 -0.03 -1.84 0.00 -1.26 -4.78 120.51 114.00 1sr2 n ALA 778 Ca -0.40 -4.73 -0.15 0.00 0.00 0.00 0.00 53.44 48.15 1sr2 n ALA 778 Cb 0.99 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 1sr2 n ALA 778 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1sr2 h VAL 779 N 3.55 1.39 -2.86 0.00 -1.51 -1.96 -3.48 116.25 111.38 1sr2 h VAL 779 Ca 0.19 -1.77 -0.08 0.00 -1.23 0.00 0.00 66.70 63.81 1sr2 h VAL 779 Cb 0.74 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 1sr2 h VAL 779 CO 1.14 0.52 -0.07 0.18 -1.23 0.00 0.00 177.57 178.12 1sr2 n LEU 780 N -4.32 0.00 0.00 4.19 4.77 -1.26 -5.10 117.00 115.28 1sr2 n LEU 780 Ca -0.08 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1sr2 n LEU 780 Cb 0.55 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1sr2 n LEU 780 CO 0.44 -0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 1sr2 n GLN 781 N -0.12 3.74 0.00 3.23 3.00 -1.26 -5.13 117.38 120.84 1sr2 n GLN 781 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1sr2 n GLN 781 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.33 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1sr2 n LEU 782 N 0.00 0.00 -3.76 1.08 -0.00 -1.26 -5.04 117.00 108.02 1sr2 n LEU 782 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1sr2 n LEU 782 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1sr2 n LEU 782 CO 0.00 -0.21 -0.32 -0.63 -0.00 0.00 0.00 177.39 176.23 1sr2 s ILE 783 N -0.42 1.09 0.46 1.47 1.01 -1.26 -4.97 121.20 118.58 1sr2 s ILE 783 Ca 0.00 -1.67 0.19 0.00 0.00 0.00 0.00 60.65 59.17 1sr2 s ILE 783 Cb 0.00 -1.81 0.37 0.00 0.01 0.00 0.00 42.46 41.02 1sr2 s ILE 783 CO 0.00 -0.70 1.95 1.05 0.00 0.00 0.00 174.94 177.23 1sr2 h GLU 784 N 7.84 0.27 -1.94 2.79 9.09 -2.00 -1.12 114.58 129.51 1sr2 h GLU 784 Ca -0.11 -0.02 -0.72 0.00 0.05 0.00 0.00 59.36 58.57 1sr2 h GLU 784 Cb 1.00 -0.06 -0.32 0.00 -1.65 0.00 0.00 28.75 27.72 1sr2 h GLU 784 CO 0.48 0.18 0.46 1.33 0.05 0.00 0.00 179.01 181.51 1sr2 n VAL 785 N -4.44 3.63 0.00 -1.06 0.24 -1.26 -4.93 118.33 110.51 1sr2 n VAL 785 Ca 0.13 -4.83 0.00 0.00 -2.04 0.00 0.00 64.34 57.60 1sr2 n VAL 785 Cb 0.55 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 1sr2 n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr2 n GLN 786 N -0.43 0.00 0.00 7.34 10.64 -0.43 -2.86 117.38 131.65 1sr2 n GLN 786 Ca 0.47 0.93 0.10 0.00 -1.83 0.00 0.00 57.00 56.68 1sr2 n GLN 786 Cb 0.36 -1.43 0.05 0.00 -0.86 0.00 0.00 30.24 28.36 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1sr2 n LEU 787 N -2.72 2.43 -3.50 2.61 4.77 -1.26 -4.81 117.00 114.52 1sr2 n LEU 787 Ca 0.00 -0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 54.83 1sr2 n LEU 787 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1sr2 n LEU 787 CO 0.00 0.43 -0.26 0.00 -1.33 0.00 0.00 177.39 176.22 1sr2 s ALA 788 N -1.93 0.13 0.00 -1.18 0.00 -1.14 -5.08 121.76 112.57 1sr2 s ALA 788 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1sr2 s ALA 788 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1sr2 s ALA 788 CO 0.35 -1.57 0.00 0.00 0.00 0.00 0.00 175.76 174.54 1sr2 n GLN 789 N 5.28 0.00 -4.02 0.00 0.00 -1.25 -4.69 117.38 112.70 1sr2 n GLN 789 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 57.00 56.70 1sr2 n GLN 789 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.65 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1sr2 s GLU 790 N 1.91 3.17 -0.37 2.61 -1.05 -1.26 -5.10 118.70 118.62 1sr2 s GLU 790 Ca 0.00 -0.77 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 1sr2 s GLU 790 Cb 0.00 -2.79 0.12 0.00 -0.44 0.00 0.00 34.13 31.02 1sr2 s GLU 790 CO 0.00 0.48 0.18 -1.21 0.95 0.00 0.00 175.26 175.66 1sr2 s GLU 791 N -3.32 0.93 -0.09 -4.83 2.02 -1.26 -5.01 118.70 107.14 1sr2 s GLU 791 Ca 0.33 -1.52 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 1sr2 s GLU 791 Cb -0.10 -2.03 -0.15 0.00 0.10 0.00 0.00 34.13 31.95 1sr2 s GLU 791 CO 0.26 -1.10 3.18 1.33 0.02 0.00 0.00 175.26 178.96 1sr2 n VAL 792 N 4.15 2.91 -2.40 2.63 0.24 -1.26 -3.83 118.33 120.77 1sr2 n VAL 792 Ca 0.05 -1.63 0.03 0.00 -2.04 0.00 0.00 64.34 60.75 1sr2 n VAL 792 Cb 0.38 -1.83 0.05 0.00 -1.47 0.00 0.00 33.84 30.97 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1sr2 n THR 793 N 1.98 0.55 -4.39 3.34 -1.04 -1.26 -5.09 114.28 108.37 1sr2 n THR 793 Ca 0.37 -1.65 -0.28 0.00 -2.04 0.00 0.00 64.05 60.46 1sr2 n THR 793 Cb 0.78 0.80 -0.08 0.00 -1.82 0.00 0.00 70.33 70.02 1sr2 n THR 793 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1sr2 s GLU 794 N -1.05 2.14 -0.07 -2.82 0.41 -1.25 -5.00 118.70 111.05 1sr2 s GLU 794 Ca 0.34 -2.06 -0.05 0.00 -0.41 0.00 0.00 54.97 52.79 1sr2 s GLU 794 Cb 0.38 -1.79 0.02 0.00 -1.78 0.00 0.00 34.13 30.96 1sr2 s GLU 794 CO -0.13 -0.19 0.10 0.43 -0.49 0.00 0.00 175.26 174.98 1sr2 n SER 795 N -1.21 -1.95 -4.49 -0.19 7.64 -1.26 -5.01 113.62 107.15 1sr2 n SER 795 Ca -0.06 0.71 -0.29 0.00 1.01 0.00 0.00 58.87 60.24 1sr2 n SER 795 Cb 0.66 -3.11 0.23 0.00 -1.01 0.00 0.00 64.21 60.98 1sr2 n SER 795 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1sr2 n PRO 796 N 0.86 -2.02 0.00 1.43 -0.04 -1.26 -5.05 135.00 128.92 1sr2 n PRO 796 Ca -0.18 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1sr2 n PRO 796 Cb 0.27 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1sr2 n PRO 796 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sr2 n LEU 797 N -4.52 0.00 -0.60 1.53 4.77 -1.26 -4.99 117.00 111.93 1sr2 n LEU 797 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1sr2 n LEU 797 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1sr2 n LEU 797 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1sr2 n GLY 798 N 3.85 0.51 0.00 -0.72 0.00 -1.26 -4.82 105.19 102.75 1sr2 n GLY 798 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1sr2 n GLY 798 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr2 n GLY 799 N -0.60 0.40 2.96 -0.02 0.00 -1.26 -5.04 105.19 101.62 1sr2 n GLY 799 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1sr2 n GLY 799 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sr2 s ASP 800 N 0.00 4.96 0.26 1.61 2.15 -1.26 -4.84 116.67 119.56 1sr2 s ASP 800 Ca 0.00 -3.61 0.19 0.00 0.43 0.00 0.00 52.55 49.56 1sr2 s ASP 800 Cb 0.00 -1.70 0.08 0.00 -0.30 0.00 0.00 42.92 41.00 1sr2 s ASP 800 CO 0.00 -0.15 1.28 -0.33 -0.17 0.00 0.00 175.17 175.80 1sr2 h GLU 801 N 5.82 0.00 -0.33 4.34 3.07 -1.96 -3.33 114.58 122.18 1sr2 h GLU 801 Ca 0.09 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1sr2 h GLU 801 Cb 0.80 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1sr2 h GLU 801 CO 0.74 0.22 0.09 -0.97 -1.40 0.00 0.00 179.01 177.69 1sr2 h ASN 802 N 0.00 0.44 -0.10 1.42 -1.24 -1.97 -1.13 115.58 112.99 1sr2 h ASN 802 Ca -0.03 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 56.95 1sr2 h ASN 802 Cb 1.25 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 1sr2 h ASN 802 CO 0.03 0.44 -0.05 0.00 -1.29 0.00 0.00 177.43 176.56 1sr2 h ALA 803 N 1.63 0.04 -0.33 1.57 0.00 -1.98 0.30 119.26 120.49 1sr2 h ALA 803 Ca 0.11 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1sr2 h ALA 803 Cb 0.17 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sr2 h ALA 803 CO -0.01 -0.51 -0.47 1.96 0.00 0.00 0.00 179.25 180.23 1sr2 h GLN 804 N -0.04 0.88 -0.27 0.00 1.08 -1.66 0.08 115.11 115.19 1sr2 h GLN 804 Ca 0.06 -0.51 -0.05 0.00 -1.45 0.00 0.00 58.65 56.69 1sr2 h GLN 804 Cb 0.13 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1sr2 h GLN 804 CO -0.13 1.15 -0.07 1.25 -0.95 0.00 0.00 178.83 180.09 1sr2 h LEU 805 N 0.70 0.40 -0.05 1.46 5.85 -1.03 -1.37 115.31 121.27 1sr2 h LEU 805 Ca 0.04 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 1sr2 h LEU 805 Cb 1.06 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.99 1sr2 h LEU 805 CO 0.11 0.52 -0.48 -0.74 -0.34 0.00 0.00 178.44 177.51 1sr2 h HIS 806 N 0.41 0.58 -0.33 1.25 2.76 -0.15 -0.29 115.15 119.37 1sr2 h HIS 806 Ca 0.08 -0.28 -0.04 0.00 -2.20 0.00 0.00 60.37 57.94 1sr2 h HIS 806 Cb 0.38 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1sr2 h HIS 806 CO 0.01 1.06 0.05 0.00 -1.30 0.00 0.00 177.93 177.75 1sr2 h ALA 807 N 0.39 1.47 -0.00 5.26 0.00 -0.70 -1.27 119.26 124.40 1sr2 h ALA 807 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sr2 h ALA 807 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1sr2 h ALA 807 CO 0.10 0.39 -0.01 -1.13 0.00 0.00 0.00 179.25 178.60 1sr2 n SER 808 N -4.33 0.02 -0.07 0.00 3.41 -0.54 -4.87 113.62 107.25 1sr2 n SER 808 Ca 0.02 -0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 1sr2 n SER 808 Cb 0.20 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1sr2 n SER 808 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sr2 n GLY 809 N 1.31 0.47 0.00 5.00 0.00 -0.48 -4.88 105.19 106.61 1sr2 n GLY 809 Ca 0.14 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1sr2 n GLY 809 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sr2 n TYR 810 N -2.84 0.00 -0.28 1.61 4.01 -0.22 -3.11 117.16 116.33 1sr2 n TYR 810 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1sr2 n TYR 810 Cb 0.10 -0.41 0.32 0.00 -0.31 0.00 0.00 39.34 39.03 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1sr2 h TYR 811 N 0.02 0.93 -0.51 -0.72 3.20 -1.54 0.52 116.97 118.86 1sr2 h TYR 811 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1sr2 h TYR 811 Cb 0.42 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1sr2 h TYR 811 CO 0.00 0.40 0.34 0.00 -1.64 0.00 0.00 178.16 177.26 1sr2 h ALA 812 N 1.57 0.64 -0.40 1.82 0.00 -1.86 0.68 119.26 121.71 1sr2 h ALA 812 Ca 0.42 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1sr2 h ALA 812 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sr2 h ALA 812 CO -0.19 0.09 -0.16 1.25 0.00 0.00 0.00 179.25 180.23 1sr2 h LEU 813 N 0.69 0.75 0.32 0.00 6.46 -1.43 -1.38 115.31 120.71 1sr2 h LEU 813 Ca 0.19 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1sr2 h LEU 813 Cb -0.08 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1sr2 h LEU 813 CO -0.04 0.91 -0.15 0.15 -0.62 0.00 0.00 178.44 178.69 1sr2 h PHE 814 N 0.67 -0.40 0.00 1.25 3.57 -0.43 -2.95 116.94 118.65 1sr2 h PHE 814 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1sr2 h PHE 814 Cb 0.65 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1sr2 h PHE 814 CO 0.03 -0.13 0.00 -0.39 -2.23 0.00 0.00 178.31 175.59 1sr2 h VAL 815 N -0.62 0.00 0.12 1.41 -1.51 -0.84 -2.57 116.25 112.24 1sr2 h VAL 815 Ca -0.04 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1sr2 h VAL 815 Cb 0.45 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1sr2 h VAL 815 CO 0.07 0.00 -0.06 -0.78 -1.23 0.00 0.00 177.57 175.57 1sr2 h ASP 816 N 0.00 -0.14 0.10 4.19 3.58 -1.15 -3.42 116.42 119.59 1sr2 h ASP 816 Ca 0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.09 1sr2 h ASP 816 Cb 0.55 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1sr2 h ASP 816 CO 0.00 0.07 -2.22 1.07 -2.88 0.00 0.00 179.24 175.28 1sr2 n THR 817 N -3.39 1.57 0.31 2.25 5.66 -1.12 -4.41 114.28 115.15 1sr2 n THR 817 Ca -0.02 -0.68 -0.17 0.00 -3.05 0.00 0.00 64.05 60.13 1sr2 n THR 817 Cb 0.06 -1.29 -0.08 0.00 -1.55 0.00 0.00 70.33 67.47 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1sr2 h VAL 818 N 0.02 0.29 -0.82 1.08 2.07 -1.63 0.47 116.25 117.73 1sr2 h VAL 818 Ca -0.49 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1sr2 h VAL 818 Cb 2.02 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1sr2 h VAL 818 CO 0.01 0.00 0.53 -0.65 0.02 0.00 0.00 177.57 177.48 1sr2 h PRO 819 N -0.84 1.04 -0.07 1.57 0.11 -1.81 -0.15 132.00 131.85 1sr2 h PRO 819 Ca -0.06 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.81 1sr2 h PRO 819 Cb 0.69 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1sr2 h PRO 819 CO 0.05 0.68 -0.72 0.22 -0.21 0.00 0.00 178.00 178.02 1sr2 h ASP 820 N 1.07 0.41 -0.20 -2.05 1.82 -1.71 -1.99 116.42 113.78 1sr2 h ASP 820 Ca 0.31 -0.27 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1sr2 h ASP 820 Cb -0.07 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1sr2 h ASP 820 CO -0.09 1.00 -0.12 0.44 -1.61 0.00 0.00 179.24 178.86 1sr2 h ASP 821 N 0.24 0.56 -0.26 2.28 3.32 0.31 0.49 116.42 123.36 1sr2 h ASP 821 Ca -0.03 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1sr2 h ASP 821 Cb 1.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1sr2 h ASP 821 CO 0.12 0.72 0.09 0.58 -1.72 0.00 0.00 179.24 179.02 1sr2 h VAL 822 N 0.53 1.19 0.00 -1.35 2.07 -0.70 0.27 116.25 118.27 1sr2 h VAL 822 Ca 0.10 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1sr2 h VAL 822 Cb 0.53 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1sr2 h VAL 822 CO 0.03 0.20 -0.31 0.07 0.02 0.00 0.00 177.57 177.58 1sr2 h LYS 823 N 0.26 0.00 -0.38 1.57 2.10 -1.16 -0.38 116.57 118.57 1sr2 h LYS 823 Ca 0.08 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.61 1sr2 h LYS 823 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1sr2 h LYS 823 CO -0.00 0.31 -0.28 0.00 -2.00 0.00 0.00 179.45 177.48 1sr2 h ARG 824 N 0.00 0.81 -0.86 0.07 2.47 -0.49 -1.16 114.38 115.22 1sr2 h ARG 824 Ca -0.00 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1sr2 h ARG 824 Cb 0.75 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.01 1sr2 h ARG 824 CO 0.04 0.99 0.53 -0.07 0.56 0.00 0.00 179.97 182.02 1sr2 h LEU 825 N 0.69 1.01 -0.81 3.04 3.38 0.46 0.68 115.31 123.76 1sr2 h LEU 825 Ca 0.08 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1sr2 h LEU 825 Cb 0.82 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1sr2 h LEU 825 CO 0.07 0.76 0.46 1.88 0.09 0.00 0.00 178.44 181.70 1sr2 h TYR 826 N 1.17 0.83 -0.28 1.13 0.05 -0.71 0.18 116.97 119.35 1sr2 h TYR 826 Ca 0.31 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.07 1sr2 h TYR 826 Cb -0.08 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1sr2 h TYR 826 CO -0.01 0.34 -0.02 1.15 -1.05 0.00 0.00 178.16 178.57 1sr2 h THR 827 N 0.77 1.27 -0.39 -2.88 2.02 -0.10 -1.42 112.91 112.17 1sr2 h THR 827 Ca 0.39 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1sr2 h THR 827 Cb 0.37 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1sr2 h THR 827 CO -0.25 0.31 -0.29 -0.33 0.37 0.00 0.00 175.52 175.33 1sr2 h GLU 828 N 0.28 0.89 -0.38 6.66 3.07 -0.52 -2.87 114.58 121.71 1sr2 h GLU 828 Ca 0.08 -0.43 -0.08 0.00 -0.50 0.00 0.00 59.36 58.43 1sr2 h GLU 828 Cb 0.46 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1sr2 h GLU 828 CO 0.02 1.08 -0.08 0.00 -1.40 0.00 0.00 179.01 178.63 1sr2 h ALA 829 N 0.79 1.15 0.00 3.43 0.00 -0.61 -1.36 119.26 122.66 1sr2 h ALA 829 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 829 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sr2 h ALA 829 CO 0.08 0.54 -0.25 0.00 0.00 0.00 0.00 179.25 179.62 1sr2 h ALA 830 N 1.31 1.28 -0.08 0.00 0.00 -1.08 -1.69 119.26 119.00 1sr2 h ALA 830 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sr2 h ALA 830 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sr2 h ALA 830 CO 0.03 0.31 0.00 2.41 0.00 0.00 0.00 179.25 181.99 1sr2 n THR 831 N -3.79 0.08 -2.61 0.00 -1.04 -1.00 -4.94 114.28 100.98 1sr2 n THR 831 Ca -0.01 -0.44 -0.19 0.00 -2.04 0.00 0.00 64.05 61.36 1sr2 n THR 831 Cb 0.34 1.01 0.01 0.00 -1.82 0.00 0.00 70.33 69.88 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sr2 n SER 832 N 0.90 -5.55 -3.89 8.00 7.64 -0.63 -4.90 113.62 115.19 1sr2 n SER 832 Ca 0.16 -0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1sr2 n SER 832 Cb 0.50 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1sr2 n SER 832 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sr2 n ASP 833 N -1.81 5.12 -0.28 6.43 -0.08 -0.56 -4.80 116.55 120.57 1sr2 n ASP 833 Ca -0.17 -3.11 0.03 0.00 -1.51 0.00 0.00 54.79 50.02 1sr2 n ASP 833 Cb 0.64 -1.48 0.24 0.00 2.34 0.00 0.00 41.12 42.86 1sr2 n ASP 833 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sr2 h PHE 834 N 5.78 1.02 -0.70 -0.67 0.04 -1.91 0.40 116.94 120.90 1sr2 h PHE 834 Ca 0.39 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 1sr2 h PHE 834 Cb 0.64 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1sr2 h PHE 834 CO 1.24 0.58 0.36 0.00 -0.60 0.00 0.00 178.31 179.88 1sr2 h ALA 835 N 1.51 1.30 0.11 2.45 0.00 -1.96 0.33 119.26 122.99 1sr2 h ALA 835 Ca 0.35 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 835 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sr2 h ALA 835 CO -0.11 0.55 -1.25 0.00 0.00 0.00 0.00 179.25 178.44 1sr2 h ALA 836 N 1.40 0.17 -0.97 0.00 0.00 -1.58 -2.33 119.26 115.95 1sr2 h ALA 836 Ca 0.25 -0.93 0.03 0.00 0.00 0.00 0.00 54.91 54.26 1sr2 h ALA 836 Cb 0.07 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1sr2 h ALA 836 CO -0.04 1.05 0.64 1.25 0.00 0.00 0.00 179.25 182.15 1sr2 h LEU 837 N 0.06 1.07 0.02 0.00 5.85 0.09 -1.76 115.31 120.64 1sr2 h LEU 837 Ca -0.13 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sr2 h LEU 837 Cb 1.95 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1sr2 h LEU 837 CO 0.19 0.75 -0.01 0.00 -0.34 0.00 0.00 178.44 179.02 1sr2 h ALA 838 N 1.42 -0.03 -0.43 1.25 0.00 -0.17 0.53 119.26 121.83 1sr2 h ALA 838 Ca 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sr2 h ALA 838 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sr2 h ALA 838 CO -0.11 -0.43 0.21 -0.56 0.00 0.00 0.00 179.25 178.36 1sr2 h GLN 839 N -0.20 0.59 -0.18 0.00 -0.00 -1.21 0.29 115.11 114.40 1sr2 h GLN 839 Ca -0.00 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 1sr2 h GLN 839 Cb 0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1sr2 h GLN 839 CO 0.00 0.46 -0.34 1.15 -0.00 0.00 0.00 178.83 180.10 1sr2 h THR 840 N 0.59 1.34 -0.14 1.86 2.02 -1.13 -1.96 112.91 115.49 1sr2 h THR 840 Ca 0.15 -1.58 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 1sr2 h THR 840 Cb 0.05 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1sr2 h THR 840 CO -0.02 0.48 -0.15 0.00 0.37 0.00 0.00 175.52 176.20 1sr2 h ALA 841 N 0.59 1.48 -0.01 6.16 0.00 -0.39 0.35 119.26 127.44 1sr2 h ALA 841 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sr2 h ALA 841 Cb 0.94 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sr2 h ALA 841 CO 0.08 0.37 0.01 1.25 0.00 0.00 0.00 179.25 180.95 1sr2 h HIS 842 N 0.22 0.01 -0.47 0.00 6.17 -0.30 0.07 115.15 120.86 1sr2 h HIS 842 Ca 0.04 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.04 1sr2 h HIS 842 Cb 0.41 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 1sr2 h HIS 842 CO 0.01 0.01 -0.04 -0.09 0.71 0.00 0.00 177.93 178.52 1sr2 h ARG 843 N 0.01 0.81 -0.13 5.26 2.43 -0.81 -1.55 114.38 120.40 1sr2 h ARG 843 Ca 0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1sr2 h ARG 843 Cb -0.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1sr2 h ARG 843 CO -0.00 0.84 0.06 -0.07 -1.51 0.00 0.00 179.97 179.29 1sr2 h LEU 844 N 0.75 0.18 -1.55 3.80 3.38 -0.68 0.27 115.31 121.45 1sr2 h LEU 844 Ca 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1sr2 h LEU 844 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1sr2 h LEU 844 CO 0.03 0.28 -0.01 0.07 0.09 0.00 0.00 178.44 178.90 1sr2 h LYS 845 N 0.07 0.27 -0.02 1.13 2.10 -0.88 -1.29 116.57 117.95 1sr2 h LYS 845 Ca 0.05 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sr2 h LYS 845 Cb 0.16 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1sr2 h LYS 845 CO -0.00 0.30 -0.01 0.78 -2.00 0.00 0.00 179.45 178.52 1sr2 h GLY 846 N 0.56 0.04 1.43 0.07 0.00 -0.68 -1.95 103.07 102.53 1sr2 h GLY 846 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1sr2 h GLY 846 CO 0.01 0.03 0.06 -0.39 0.00 0.00 0.00 176.54 176.24 1sr2 h VAL 847 N -0.37 1.22 -0.49 4.60 -1.51 -0.20 -0.39 116.25 119.10 1sr2 h VAL 847 Ca 0.00 -0.84 -0.04 0.00 -1.23 0.00 0.00 66.70 64.59 1sr2 h VAL 847 Cb 0.43 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 1sr2 h VAL 847 CO 0.00 0.30 0.14 -0.26 -1.23 0.00 0.00 177.57 176.52 1sr2 h PHE 848 N 0.68 0.80 -0.52 5.19 0.04 -1.26 -2.01 116.94 119.86 1sr2 h PHE 848 Ca 0.15 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1sr2 h PHE 848 Cb 0.34 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1sr2 h PHE 848 CO 0.02 0.71 0.28 0.00 -0.60 0.00 0.00 178.31 178.71 1sr2 h ALA 849 N 1.00 1.51 -0.01 2.45 0.00 -0.71 0.29 119.26 123.80 1sr2 h ALA 849 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sr2 h ALA 849 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sr2 h ALA 849 CO -0.00 0.41 -0.03 0.52 0.00 0.00 0.00 179.25 180.14 1sr2 h MET 850 N 0.72 -0.05 -0.01 0.00 2.86 -0.53 -2.57 114.93 115.37 1sr2 h MET 850 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1sr2 h MET 850 Cb 0.03 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1sr2 h MET 850 CO -0.03 -0.03 -0.03 1.28 1.06 0.00 0.00 176.91 179.15 1sr2 n LEU 851 N -5.14 0.69 -0.70 1.22 4.77 -0.81 -4.89 117.00 112.13 1sr2 n LEU 851 Ca -0.06 -0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.66 1sr2 n LEU 851 Cb 0.07 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1sr2 n LEU 851 CO 0.31 0.12 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.21 1sr2 n ASN 852 N -0.56 -3.07 -3.99 -1.43 2.85 0.50 -4.79 115.26 104.78 1sr2 n ASN 852 Ca 0.19 0.06 -0.43 0.00 -0.11 0.00 0.00 54.58 54.29 1sr2 n ASN 852 Cb 0.25 -1.97 0.00 0.00 1.24 0.00 0.00 39.78 39.30 1sr2 n ASN 852 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sr2 n LEU 853 N -0.93 6.32 -0.01 1.20 4.77 0.71 -4.84 117.00 124.22 1sr2 n LEU 853 Ca -0.08 -4.42 -0.10 0.00 -0.03 0.00 0.00 56.01 51.38 1sr2 n LEU 853 Cb 0.45 -1.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 1sr2 n LEU 853 CO 0.10 1.09 0.65 0.58 -1.33 0.00 0.00 177.39 178.49 1sr2 h VAL 854 N 4.12 0.30 -0.86 4.08 2.07 -1.92 -0.37 116.25 123.67 1sr2 h VAL 854 Ca 0.43 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.04 1sr2 h VAL 854 Cb 0.69 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1sr2 h VAL 854 CO 1.62 0.00 0.56 -0.65 0.02 0.00 0.00 177.57 179.11 1sr2 h PRO 855 N -0.37 0.85 -0.30 1.57 0.11 -1.98 0.42 132.00 132.31 1sr2 h PRO 855 Ca 0.10 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 855 Cb 0.53 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1sr2 h PRO 855 CO -0.36 0.56 -0.07 0.78 -0.21 0.00 0.00 178.00 178.70 1sr2 h GLY 856 N 0.88 0.64 1.11 -0.55 0.00 -1.78 -1.58 103.07 101.79 1sr2 h GLY 856 Ca 0.39 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1sr2 h GLY 856 CO -0.15 0.48 0.26 1.70 0.00 0.00 0.00 176.54 178.83 1sr2 h LYS 857 N 0.36 1.12 -0.67 4.80 3.64 -0.28 -2.02 116.57 123.52 1sr2 h LYS 857 Ca 0.08 -0.22 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1sr2 h LYS 857 Cb 0.56 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1sr2 h LYS 857 CO 0.03 0.93 0.32 0.37 -2.27 0.00 0.00 179.45 178.84 1sr2 h GLN 858 N 1.09 0.55 -0.55 1.90 4.15 0.02 0.42 115.11 122.70 1sr2 h GLN 858 Ca 0.24 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1sr2 h GLN 858 Cb 0.26 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1sr2 h GLN 858 CO -0.01 0.36 0.35 -0.07 -1.93 0.00 0.00 178.83 177.53 1sr2 h LEU 859 N 0.57 0.64 -0.92 -2.39 3.38 -0.85 -1.44 115.31 114.29 1sr2 h LEU 859 Ca 0.32 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 1sr2 h LEU 859 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1sr2 h LEU 859 CO -0.25 0.48 -0.18 0.00 0.09 0.00 0.00 178.44 178.58 1sr2 h GLU 861 N 0.53 0.25 -0.13 0.00 4.39 0.14 0.15 114.58 119.91 1sr2 h GLU 861 Ca 0.09 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1sr2 h GLU 861 Cb 0.61 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1sr2 h GLU 861 CO 0.04 0.20 -0.32 1.15 -1.16 0.00 0.00 179.01 178.93 1sr2 h THR 862 N 0.22 1.27 -0.21 1.13 2.02 -0.95 -1.56 112.91 114.82 1sr2 h THR 862 Ca 0.07 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1sr2 h THR 862 Cb 0.02 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1sr2 h THR 862 CO -0.01 0.39 0.13 0.25 0.37 0.00 0.00 175.52 176.65 1sr2 h LEU 863 N 0.21 0.25 -1.25 2.58 6.46 -0.06 0.62 115.31 124.13 1sr2 h LEU 863 Ca 0.03 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1sr2 h LEU 863 Cb 0.67 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 1sr2 h LEU 863 CO 0.05 0.22 0.52 -0.33 -0.62 0.00 0.00 178.44 178.28 1sr2 h GLU 864 N 0.27 0.95 -0.85 1.25 5.08 -0.60 0.12 114.58 120.81 1sr2 h GLU 864 Ca 0.08 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1sr2 h GLU 864 Cb 0.01 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1sr2 h GLU 864 CO -0.02 0.63 0.42 1.25 -1.00 0.00 0.00 179.01 180.29 1sr2 h HIS 865 N 0.98 1.21 -0.37 4.33 2.76 -0.69 0.37 115.15 123.74 1sr2 h HIS 865 Ca 0.31 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.35 1sr2 h HIS 865 Cb 0.03 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.60 1sr2 h HIS 865 CO -0.00 0.86 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.33 1sr2 h LEU 866 N 1.20 0.72 -0.40 0.26 3.38 0.76 -1.74 115.31 119.49 1sr2 h LEU 866 Ca 0.29 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1sr2 h LEU 866 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sr2 h LEU 866 CO -0.04 0.92 0.09 0.40 0.09 0.00 0.00 178.44 179.90 1sr2 h ILE 867 N 0.51 1.23 -0.35 1.22 2.04 -0.52 0.30 117.51 121.94 1sr2 h ILE 867 Ca 0.09 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1sr2 h ILE 867 Cb 0.61 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1sr2 h ILE 867 CO 0.04 0.28 0.17 0.08 0.00 0.00 0.00 178.15 178.71 1sr2 h ARG 868 N 0.50 0.48 -0.60 2.37 -0.00 -0.17 -1.59 114.38 115.37 1sr2 h ARG 868 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 60.06 1sr2 h ARG 868 Cb 0.32 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 1sr2 h ARG 868 CO 0.00 0.38 0.00 -0.85 -0.00 0.00 0.00 179.97 179.50 1sr2 n GLU 869 N -4.42 3.26 -3.48 0.08 0.28 -0.66 -4.95 120.64 110.74 1sr2 n GLU 869 Ca 0.02 -2.69 -0.25 0.00 -0.16 0.00 0.00 57.16 54.08 1sr2 n GLU 869 Cb 0.12 -1.70 0.05 0.00 1.43 0.00 0.00 31.44 31.34 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sr2 n LYS 870 N 1.08 -6.36 -2.88 3.44 4.76 -0.37 -4.91 118.16 112.91 1sr2 n LYS 870 Ca 0.23 0.79 -0.44 0.00 -2.87 0.00 0.00 58.31 56.02 1sr2 n LYS 870 Cb 0.74 -5.74 -0.01 0.00 -1.84 0.00 0.00 35.03 28.18 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sr2 s ASP 871 N -3.10 6.90 0.10 4.39 -1.08 0.90 -4.88 116.67 119.90 1sr2 s ASP 871 Ca 0.51 -2.61 -0.28 0.00 -0.52 0.00 0.00 52.55 49.66 1sr2 s ASP 871 Cb -0.23 -2.43 -0.11 0.00 -1.46 0.00 0.00 42.92 38.69 1sr2 s ASP 871 CO 0.63 -0.91 1.65 0.58 0.52 0.00 0.00 175.17 177.63 1sr2 h VAL 872 N 5.18 0.48 -0.55 1.11 2.07 -1.91 0.15 116.25 122.78 1sr2 h VAL 872 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.83 1sr2 h VAL 872 Cb 0.92 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1sr2 h VAL 872 CO 1.24 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 178.54 1sr2 h PRO 873 N -0.50 0.63 -0.44 1.57 0.11 -1.98 -1.55 132.00 129.83 1sr2 h PRO 873 Ca 0.00 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1sr2 h PRO 873 Cb 0.48 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1sr2 h PRO 873 CO -0.07 0.42 -0.08 0.78 -0.21 0.00 0.00 178.00 178.83 1sr2 h GLY 874 N 0.65 0.89 0.58 -0.55 0.00 -1.84 -1.79 103.07 101.01 1sr2 h GLY 874 Ca 0.22 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.86 1sr2 h GLY 874 CO -0.06 0.66 -0.07 -2.22 0.00 0.00 0.00 176.54 174.86 1sr2 h ILE 875 N 0.66 0.76 -0.37 2.60 2.04 0.03 -1.12 117.51 122.12 1sr2 h ILE 875 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1sr2 h ILE 875 Cb 0.61 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1sr2 h ILE 875 CO 0.04 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.93 1sr2 h GLU 876 N -0.03 0.19 -0.16 2.37 5.08 -1.21 0.34 114.58 121.16 1sr2 h GLU 876 Ca 0.10 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1sr2 h GLU 876 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1sr2 h GLU 876 CO -0.21 0.13 0.04 0.87 -1.00 0.00 0.00 179.01 178.84 1sr2 h LYS 877 N 0.20 0.11 -0.15 2.33 1.57 -0.91 -1.58 116.57 118.13 1sr2 h LYS 877 Ca 0.18 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1sr2 h LYS 877 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1sr2 h LYS 877 CO -0.23 0.07 -0.43 1.88 -0.57 0.00 0.00 179.45 180.17 1sr2 h TYR 878 N 0.11 0.43 -0.52 -1.35 -1.99 -0.91 -1.92 116.97 110.83 1sr2 h TYR 878 Ca 0.07 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1sr2 h TYR 878 Cb 0.05 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 1sr2 h TYR 878 CO -0.12 0.73 0.29 0.82 -0.00 0.00 0.00 178.16 179.88 1sr2 h ILE 879 N 0.30 1.17 -0.38 -2.88 2.04 -0.52 0.17 117.51 117.41 1sr2 h ILE 879 Ca 0.02 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1sr2 h ILE 879 Cb 0.88 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1sr2 h ILE 879 CO 0.07 0.18 -0.03 0.77 0.00 0.00 0.00 178.15 179.15 1sr2 h SER 880 N 0.69 0.59 -0.01 1.72 4.64 -1.01 0.17 113.55 120.34 1sr2 h SER 880 Ca 0.18 -0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 1sr2 h SER 880 Cb 0.03 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1sr2 h SER 880 CO -0.03 0.68 -0.54 -0.78 -0.87 0.00 0.00 176.83 175.29 1sr2 h ASP 881 N 0.58 0.66 0.07 4.97 3.58 -0.78 0.13 116.42 125.63 1sr2 h ASP 881 Ca 0.12 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.10 1sr2 h ASP 881 Cb 0.41 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1sr2 h ASP 881 CO 0.02 1.07 -0.38 0.40 -2.88 0.00 0.00 179.24 177.47 1sr2 h ILE 882 N 0.46 1.30 -0.19 2.25 2.04 -0.34 -0.98 117.51 122.06 1sr2 h ILE 882 Ca 0.01 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 1sr2 h ILE 882 Cb 1.09 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1sr2 h ILE 882 CO 0.10 0.46 -0.23 -0.78 0.00 0.00 0.00 178.15 177.70 1sr2 h ASP 883 N 0.35 0.53 -0.71 1.72 3.58 -0.30 0.12 116.42 121.70 1sr2 h ASP 883 Ca 0.04 -0.50 -0.07 0.00 0.42 0.00 0.00 57.03 56.91 1sr2 h ASP 883 Cb 0.83 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 1sr2 h ASP 883 CO 0.07 0.93 0.17 0.77 -2.88 0.00 0.00 179.24 178.30 1sr2 h SER 884 N 0.15 1.09 0.29 2.28 4.64 -0.74 0.73 113.55 121.98 1sr2 h SER 884 Ca 0.02 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1sr2 h SER 884 Cb 0.80 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1sr2 h SER 884 CO 0.06 1.04 -0.32 0.22 -0.87 0.00 0.00 176.83 176.95 1sr2 h TYR 885 N 1.08 -0.87 -0.56 4.77 3.20 -0.94 -1.24 116.97 122.41 1sr2 h TYR 885 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1sr2 h TYR 885 Cb 0.38 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1sr2 h TYR 885 CO 0.03 -0.45 0.28 0.28 -1.64 0.00 0.00 178.16 176.66 1sr2 h VAL 886 N -0.65 1.18 -0.56 1.81 2.07 -0.80 -0.80 116.25 118.50 1sr2 h VAL 886 Ca -0.01 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1sr2 h VAL 886 Cb 0.61 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1sr2 h VAL 886 CO -0.08 0.21 0.02 0.11 0.02 0.00 0.00 177.57 177.85 1sr2 h LYS 887 N 0.79 0.95 0.00 1.57 6.56 -0.46 0.12 116.57 126.10 1sr2 h LYS 887 Ca 0.20 -0.27 -0.08 0.00 -1.06 0.00 0.00 60.65 59.44 1sr2 h LYS 887 Cb 0.06 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 1sr2 h LYS 887 CO -0.03 0.93 -0.37 0.66 -2.06 0.00 0.00 179.45 178.58 1sr2 h SER 888 N 0.88 0.00 1.35 0.86 4.64 -0.62 -2.83 113.55 117.83 1sr2 h SER 888 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1sr2 h SER 888 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1sr2 h SER 888 CO 0.02 0.37 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.94 1sr2 h LEU 889 N 0.00 0.00 -0.12 5.97 3.38 -0.30 -3.52 115.31 120.73 1sr2 h LEU 889 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sr2 h LEU 889 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1sr2 h LEU 889 CO 0.05 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.10