#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 2.42 0.00 3.17 6.02 -1.26 -4.55 117.38 123.18 1sr2 n GLN 776 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1sr2 n GLN 776 Cb 0.00 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1sr2 n GLN 776 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1sr2 n GLU 777 N -2.00 0.00 0.02 -1.09 -0.00 -1.26 -4.76 120.64 111.54 1sr2 n GLU 777 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.05 1sr2 n GLU 777 Cb 0.48 -0.12 0.14 0.00 -0.00 0.00 0.00 31.44 31.94 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sr2 h ALA 778 N -1.77 0.92 -0.08 -1.84 0.00 -2.09 -3.45 119.26 110.95 1sr2 h ALA 778 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1sr2 h ALA 778 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sr2 h ALA 778 CO 0.00 0.63 0.00 1.55 0.00 0.00 0.00 179.25 181.43 1sr2 n VAL 779 N -4.03 0.00 -3.84 0.00 3.14 -1.26 -4.39 118.33 107.95 1sr2 n VAL 779 Ca -0.02 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.24 1sr2 n VAL 779 Cb 0.51 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.17 1sr2 n VAL 779 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1sr2 s LEU 780 N 0.00 1.52 0.30 6.55 1.43 -1.26 -4.99 118.68 122.23 1sr2 s LEU 780 Ca 0.00 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1sr2 s LEU 780 Cb 0.00 0.52 -0.06 0.00 0.03 0.00 0.00 46.19 46.68 1sr2 s LEU 780 CO 0.00 -0.14 -0.14 -1.10 0.23 0.00 0.00 176.35 175.20 1sr2 s GLN 781 N -0.36 1.70 0.00 1.70 -0.21 -1.26 -5.05 119.66 116.19 1sr2 s GLN 781 Ca -0.04 -1.83 -0.21 0.00 0.02 0.00 0.00 55.36 53.30 1sr2 s GLN 781 Cb -0.03 -1.63 -0.20 0.00 1.00 0.00 0.00 33.01 32.15 1sr2 s GLN 781 CO 0.00 0.21 1.17 1.37 -2.12 0.00 0.00 175.29 175.93 1sr2 h LEU 782 N 2.19 0.41 0.00 2.90 -0.00 -2.02 -3.49 115.31 115.30 1sr2 h LEU 782 Ca -0.41 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 56.81 1sr2 h LEU 782 Cb 1.25 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1sr2 h LEU 782 CO 0.65 1.00 0.00 2.30 -0.00 0.00 0.00 178.44 182.39 1sr2 n ILE 783 N -4.41 0.00 0.00 0.15 -5.35 -1.26 -5.07 119.36 103.42 1sr2 n ILE 783 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1sr2 n ILE 783 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1sr2 n ILE 783 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1sr2 n GLU 784 N 0.00 0.00 -0.07 6.28 0.00 -1.26 -4.96 120.64 120.63 1sr2 n GLU 784 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1sr2 n GLU 784 Cb 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 31.44 30.93 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1sr2 n VAL 785 N -1.48 0.84 -2.77 3.84 0.24 -1.26 -5.07 118.33 112.67 1sr2 n VAL 785 Ca 0.00 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.34 61.92 1sr2 n VAL 785 Cb 0.00 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 1sr2 n VAL 785 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1sr2 n GLN 786 N -2.83 -1.41 -1.86 7.34 7.27 -1.26 -3.41 117.38 121.22 1sr2 n GLN 786 Ca -0.25 1.52 -0.20 0.00 0.07 0.00 0.00 57.00 58.15 1sr2 n GLN 786 Cb 0.80 -5.11 -0.06 0.00 2.41 0.00 0.00 30.24 28.28 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1sr2 n LEU 787 N -1.23 -1.60 -4.59 1.69 4.32 -1.26 -4.97 117.00 109.36 1sr2 n LEU 787 Ca 0.03 0.30 -0.27 0.00 -0.02 0.00 0.00 56.01 56.05 1sr2 n LEU 787 Cb 0.47 -2.75 -0.11 0.00 -1.62 0.00 0.00 43.42 39.41 1sr2 n LEU 787 CO 0.44 -0.73 -0.33 0.00 -1.22 0.00 0.00 177.39 175.55 1sr2 s ALA 788 N -2.82 3.07 -1.75 -1.18 0.00 -1.22 -4.72 121.76 113.15 1sr2 s ALA 788 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.74 1sr2 s ALA 788 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1sr2 s ALA 788 CO 0.00 -0.04 0.00 1.04 0.00 0.00 0.00 175.76 176.76 1sr2 n GLN 789 N -0.90 -1.28 -4.42 0.00 6.02 -1.26 -4.84 117.38 110.70 1sr2 n GLN 789 Ca -0.05 1.03 -0.25 0.00 -0.01 0.00 0.00 57.00 57.72 1sr2 n GLN 789 Cb 0.66 -5.36 -0.10 0.00 1.02 0.00 0.00 30.24 26.46 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1sr2 s GLU 790 N -3.94 1.71 -0.08 -1.09 0.41 -1.26 -5.13 118.70 109.31 1sr2 s GLU 790 Ca 0.00 -1.58 -0.01 0.00 -0.41 0.00 0.00 54.97 52.97 1sr2 s GLU 790 Cb 0.00 -1.88 0.03 0.00 -1.78 0.00 0.00 34.13 30.50 1sr2 s GLU 790 CO 0.00 0.37 -0.02 -1.21 -0.49 0.00 0.00 175.26 173.91 1sr2 s GLU 791 N -3.09 0.87 -0.58 1.61 2.02 -1.26 -5.02 118.70 113.25 1sr2 s GLU 791 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 1sr2 s GLU 791 Cb -0.07 -1.13 0.17 0.00 0.10 0.00 0.00 34.13 33.20 1sr2 s GLU 791 CO 0.13 -0.28 2.49 1.55 0.02 0.00 0.00 175.26 179.17 1sr2 n VAL 792 N 5.05 3.39 -0.47 2.63 3.14 -1.26 -4.58 118.33 126.23 1sr2 n VAL 792 Ca -0.09 -3.34 -0.08 0.00 -2.96 0.00 0.00 64.34 57.87 1sr2 n VAL 792 Cb 0.50 -1.46 0.19 0.00 -1.06 0.00 0.00 33.84 32.01 1sr2 n VAL 792 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1sr2 n THR 793 N 0.37 2.31 -1.15 1.55 5.66 -1.26 -4.91 114.28 116.85 1sr2 n THR 793 Ca 0.50 -1.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1sr2 n THR 793 Cb 0.46 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1sr2 n THR 793 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1sr2 n GLU 794 N -0.23 0.25 -2.65 1.09 2.13 -1.26 -4.88 120.64 115.08 1sr2 n GLU 794 Ca 0.33 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.11 1sr2 n GLU 794 Cb 1.17 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.84 1sr2 n GLU 794 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1sr2 n SER 795 N -2.69 -2.35 -1.28 4.31 3.41 -1.26 -5.07 113.62 108.69 1sr2 n SER 795 Ca 0.00 1.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1sr2 n SER 795 Cb 0.00 -5.16 0.00 0.00 -0.26 0.00 0.00 64.21 58.79 1sr2 n SER 795 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sr2 n PRO 796 N 1.51 3.57 -1.98 4.33 -0.02 -1.26 -4.97 135.00 136.18 1sr2 n PRO 796 Ca -0.32 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.75 1sr2 n PRO 796 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1sr2 n PRO 796 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1sr2 s LEU 797 N 0.00 4.38 0.00 2.45 0.05 -1.26 -4.83 118.68 119.47 1sr2 s LEU 797 Ca 0.00 2.65 0.00 0.00 0.05 0.00 0.00 54.13 56.83 1sr2 s LEU 797 Cb 0.00 -3.61 0.00 0.00 -2.05 0.00 0.00 46.19 40.53 1sr2 s LEU 797 CO 0.00 -0.75 0.00 0.61 -0.55 0.00 0.00 176.35 175.66 1sr2 n GLY 798 N 2.78 2.02 2.00 -3.48 0.00 -1.26 -5.13 105.19 102.12 1sr2 n GLY 798 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.42 2.33 -0.02 0.00 -1.26 -5.03 105.19 100.80 1sr2 n GLY 799 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1sr2 n GLY 799 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sr2 n ASP 800 N -2.65 -1.05 -0.36 1.61 5.75 -1.26 -5.02 116.55 113.57 1sr2 n ASP 800 Ca 0.00 -1.87 0.06 0.00 -0.01 0.00 0.00 54.79 52.98 1sr2 n ASP 800 Cb 0.00 0.50 0.23 0.00 -1.03 0.00 0.00 41.12 40.82 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sr2 h GLU 801 N 0.74 0.99 -0.27 0.11 3.07 -1.98 0.19 114.58 117.42 1sr2 h GLU 801 Ca -0.32 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.35 1sr2 h GLU 801 Cb 1.21 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 1sr2 h GLU 801 CO -0.13 0.65 -0.39 -0.97 -1.40 0.00 0.00 179.01 176.77 1sr2 h ASN 802 N 1.02 0.66 -0.14 1.42 -0.73 -1.95 -0.91 115.58 114.95 1sr2 h ASN 802 Ca 0.49 -0.29 -0.14 0.00 1.87 0.00 0.00 56.30 58.23 1sr2 h ASN 802 Cb 0.44 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1sr2 h ASN 802 CO -0.25 0.98 -0.38 0.00 -0.37 0.00 0.00 177.43 177.40 1sr2 h ALA 803 N 1.06 0.79 -0.15 1.57 0.00 -1.52 -1.64 119.26 119.37 1sr2 h ALA 803 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sr2 h ALA 803 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1sr2 h ALA 803 CO 0.08 0.65 0.09 1.96 0.00 0.00 0.00 179.25 182.03 1sr2 h GLN 804 N 0.55 0.20 -0.10 0.00 4.20 -0.34 0.55 115.11 120.17 1sr2 h GLN 804 Ca 0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1sr2 h GLN 804 Cb 0.91 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1sr2 h GLN 804 CO 0.08 0.16 -0.17 1.37 -0.67 0.00 0.00 178.83 179.60 1sr2 h LEU 805 N 0.18 0.15 -0.48 1.46 8.10 -1.07 -0.51 115.31 123.14 1sr2 h LEU 805 Ca 0.05 -0.03 -0.13 0.00 0.11 0.00 0.00 57.88 57.88 1sr2 h LEU 805 Cb 0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 1sr2 h LEU 805 CO -0.01 0.33 -0.21 -0.74 -4.11 0.00 0.00 178.44 173.70 1sr2 h HIS 806 N 0.15 1.14 -0.16 0.17 2.76 -0.80 -2.86 115.15 115.55 1sr2 h HIS 806 Ca 0.03 -0.28 -0.17 0.00 -2.20 0.00 0.00 60.37 57.75 1sr2 h HIS 806 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1sr2 h HIS 806 CO 0.00 1.11 -0.59 0.00 -1.30 0.00 0.00 177.93 177.15 1sr2 h ALA 807 N 0.87 0.67 -0.06 5.26 0.00 -0.02 -3.02 119.26 122.96 1sr2 h ALA 807 Ca 0.11 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1sr2 h ALA 807 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1sr2 h ALA 807 CO 0.07 0.70 -0.38 0.66 0.00 0.00 0.00 179.25 180.29 1sr2 h SER 808 N 0.40 0.12 0.00 0.00 4.64 -1.15 -3.47 113.55 114.10 1sr2 h SER 808 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1sr2 h SER 808 Cb 1.14 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1sr2 h SER 808 CO 0.11 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1sr2 n GLY 809 N -0.33 0.68 0.00 -0.77 0.00 -1.12 -4.95 105.19 98.70 1sr2 n GLY 809 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.23 0.00 0.25 1.61 4.02 -1.09 -2.62 117.16 118.10 1sr2 n TYR 810 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1sr2 n TYR 810 Cb 0.00 -0.03 0.63 0.00 -0.02 0.00 0.00 39.34 39.92 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1sr2 h TYR 811 N 0.00 0.00 -0.93 -0.72 3.20 -1.81 -1.35 116.97 115.36 1sr2 h TYR 811 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sr2 h TYR 811 Cb 0.03 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1sr2 h TYR 811 CO 0.00 0.05 0.58 0.00 -1.64 0.00 0.00 178.16 177.15 1sr2 h ALA 812 N 1.95 1.18 -0.17 1.82 0.00 -1.85 -1.99 119.26 120.20 1sr2 h ALA 812 Ca -0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1sr2 h ALA 812 Cb 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1sr2 h ALA 812 CO 0.01 0.61 -0.61 -0.07 0.00 0.00 0.00 179.25 179.18 1sr2 h LEU 813 N 1.27 0.65 -1.81 0.00 3.38 -1.52 -2.53 115.31 114.75 1sr2 h LEU 813 Ca 0.34 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sr2 h LEU 813 Cb -0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1sr2 h LEU 813 CO -0.07 1.10 0.17 0.15 0.09 0.00 0.00 178.44 179.89 1sr2 h PHE 814 N 0.42 0.24 -0.33 1.13 3.04 -0.59 -1.38 116.94 119.47 1sr2 h PHE 814 Ca -0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sr2 h PHE 814 Cb 1.17 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.61 1sr2 h PHE 814 CO 0.05 0.14 0.00 1.33 -2.02 0.00 0.00 178.31 177.81 1sr2 n VAL 815 N -4.50 0.63 0.00 1.41 0.24 -0.85 -4.09 118.33 111.18 1sr2 n VAL 815 Ca 0.02 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1sr2 n VAL 815 Cb 0.15 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sr2 n ASP 816 N 0.96 0.00 0.09 -1.34 2.03 -0.53 -4.79 116.55 112.97 1sr2 n ASP 816 Ca 0.14 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.53 1sr2 n ASP 816 Cb 0.47 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1sr2 h THR 817 N 0.00 0.18 0.61 5.18 2.02 -1.81 -3.37 112.91 115.72 1sr2 h THR 817 Ca 0.00 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 1sr2 h THR 817 Cb 0.00 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1sr2 h THR 817 CO 0.00 0.10 -0.29 0.58 0.37 0.00 0.00 175.52 176.28 1sr2 h VAL 818 N 0.00 0.27 0.00 3.16 2.07 -1.73 -0.76 116.25 119.26 1sr2 h VAL 818 Ca -0.05 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1sr2 h VAL 818 Cb 1.19 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1sr2 h VAL 818 CO 0.02 0.03 -0.11 -0.65 0.02 0.00 0.00 177.57 176.88 1sr2 h PRO 819 N -1.04 0.00 -0.48 1.57 0.11 -1.77 -0.74 132.00 129.65 1sr2 h PRO 819 Ca -0.08 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1sr2 h PRO 819 Cb 0.68 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1sr2 h PRO 819 CO 0.14 0.11 -0.03 0.22 -0.21 0.00 0.00 178.00 178.22 1sr2 h ASP 820 N 0.00 0.86 0.19 -2.05 3.58 -1.67 0.55 116.42 117.87 1sr2 h ASP 820 Ca -0.00 -0.32 -0.14 0.00 0.42 0.00 0.00 57.03 56.99 1sr2 h ASP 820 Cb 0.21 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1sr2 h ASP 820 CO 0.01 0.98 -0.52 0.44 -2.88 0.00 0.00 179.24 177.28 1sr2 h ASP 821 N 0.72 0.40 -0.04 2.28 3.32 -0.39 -0.97 116.42 121.74 1sr2 h ASP 821 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1sr2 h ASP 821 Cb 0.56 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1sr2 h ASP 821 CO 0.03 0.85 0.00 0.58 -1.72 0.00 0.00 179.24 178.98 1sr2 h VAL 822 N 0.29 1.23 0.00 -1.35 2.07 -0.88 0.31 116.25 117.92 1sr2 h VAL 822 Ca 0.01 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1sr2 h VAL 822 Cb 1.01 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1sr2 h VAL 822 CO 0.09 0.19 -0.33 0.07 0.02 0.00 0.00 177.57 177.61 1sr2 h LYS 823 N -0.20 0.00 -0.28 1.57 2.10 -0.88 -1.84 116.57 117.05 1sr2 h LYS 823 Ca 0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.59 1sr2 h LYS 823 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1sr2 h LYS 823 CO 0.00 0.33 -0.12 -0.09 -2.00 0.00 0.00 179.45 177.57 1sr2 h ARG 824 N 0.00 0.58 -0.60 0.07 2.43 -0.94 -1.37 114.38 114.54 1sr2 h ARG 824 Ca -0.00 -0.25 0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1sr2 h ARG 824 Cb 0.62 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 1sr2 h ARG 824 CO 0.04 0.81 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.10 1sr2 h LEU 825 N 0.32 -0.54 -0.52 3.80 3.38 0.32 0.55 115.31 122.63 1sr2 h LEU 825 Ca 0.07 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1sr2 h LEU 825 Cb 0.63 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1sr2 h LEU 825 CO 0.04 -0.19 0.33 1.88 0.09 0.00 0.00 178.44 180.58 1sr2 h TYR 826 N 0.01 0.62 -0.26 1.13 0.05 -1.23 0.65 116.97 117.93 1sr2 h TYR 826 Ca 0.29 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.04 1sr2 h TYR 826 Cb 0.45 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1sr2 h TYR 826 CO -0.49 0.37 -0.03 1.15 -1.05 0.00 0.00 178.16 178.12 1sr2 h THR 827 N 0.66 1.27 -0.01 -2.88 2.02 0.15 -1.87 112.91 112.26 1sr2 h THR 827 Ca 0.20 -0.98 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 1sr2 h THR 827 Cb -0.03 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1sr2 h THR 827 CO -0.06 0.31 -0.58 -0.33 0.37 0.00 0.00 175.52 175.22 1sr2 h GLU 828 N 0.25 0.02 -0.66 6.66 4.39 0.11 -2.61 114.58 122.73 1sr2 h GLU 828 Ca 0.07 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1sr2 h GLU 828 Cb 0.47 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1sr2 h GLU 828 CO 0.02 0.59 0.14 0.00 -1.16 0.00 0.00 179.01 178.60 1sr2 h ALA 829 N 1.40 0.99 -0.69 3.43 0.00 -0.71 0.23 119.26 123.91 1sr2 h ALA 829 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sr2 h ALA 829 Cb 1.04 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1sr2 h ALA 829 CO 0.08 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.39 1sr2 h ALA 830 N 1.13 0.92 0.00 0.00 0.00 -0.96 -0.41 119.26 119.93 1sr2 h ALA 830 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sr2 h ALA 830 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sr2 h ALA 830 CO 0.01 0.14 -0.07 2.41 0.00 0.00 0.00 179.25 181.74 1sr2 n THR 831 N -4.72 0.03 -2.64 0.00 -1.04 -1.05 -4.92 114.28 99.95 1sr2 n THR 831 Ca 0.08 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.92 1sr2 n THR 831 Cb 0.13 -0.41 0.02 0.00 -1.82 0.00 0.00 70.33 68.25 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 -1.54 -4.58 -4.27 8.00 7.64 0.51 -4.92 113.62 114.45 1sr2 n SER 832 Ca 0.07 -0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.37 1sr2 n SER 832 Cb 0.34 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 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 -1.03 4.74 0.09 6.43 2.03 0.50 -4.77 116.55 124.54 1sr2 n ASP 833 Ca -0.10 -2.93 0.19 0.00 0.52 0.00 0.00 54.79 52.46 1sr2 n ASP 833 Cb 0.60 -1.67 0.74 0.00 -0.72 0.00 0.00 41.12 40.07 1sr2 n ASP 833 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1sr2 h PHE 834 N 6.91 0.00 -0.95 -0.67 0.04 -1.91 0.99 116.94 121.34 1sr2 h PHE 834 Ca 0.45 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 1sr2 h PHE 834 Cb 0.79 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 1sr2 h PHE 834 CO 1.36 0.00 0.57 0.00 -0.60 0.00 0.00 178.31 179.64 1sr2 h ALA 835 N 1.70 1.22 0.09 2.45 0.00 -1.97 0.18 119.26 122.93 1sr2 h ALA 835 Ca 0.18 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1sr2 h ALA 835 Cb 0.83 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sr2 h ALA 835 CO -0.00 0.67 -1.33 0.00 0.00 0.00 0.00 179.25 178.59 1sr2 h ALA 836 N 1.32 0.25 -0.70 0.00 0.00 -1.26 -2.31 119.26 116.56 1sr2 h ALA 836 Ca 0.34 -1.01 0.01 0.00 0.00 0.00 0.00 54.91 54.25 1sr2 h ALA 836 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1sr2 h ALA 836 CO -0.06 1.13 0.46 -0.07 0.00 0.00 0.00 179.25 180.70 1sr2 h LEU 837 N 0.05 0.81 -0.04 0.00 3.38 -0.97 -1.92 115.31 116.63 1sr2 h LEU 837 Ca -0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1sr2 h LEU 837 Cb 1.95 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 1sr2 h LEU 837 CO 0.17 0.60 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 1sr2 h ALA 838 N 1.25 0.05 -0.91 1.53 0.00 -0.59 -0.25 119.26 120.34 1sr2 h ALA 838 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sr2 h ALA 838 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1sr2 h ALA 838 CO -0.05 -0.24 0.54 -0.56 0.00 0.00 0.00 179.25 178.93 1sr2 h GLN 839 N -0.29 1.24 -0.12 0.00 3.07 -1.36 0.22 115.11 117.86 1sr2 h GLN 839 Ca 0.01 -0.12 -0.20 0.00 0.09 0.00 0.00 58.65 58.43 1sr2 h GLN 839 Cb 0.41 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1sr2 h GLN 839 CO 0.00 0.87 -0.74 1.15 0.09 0.00 0.00 178.83 180.21 1sr2 h THR 840 N 1.26 1.33 -0.86 1.86 2.02 -1.34 0.81 112.91 117.98 1sr2 h THR 840 Ca 0.33 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1sr2 h THR 840 Cb -0.04 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1sr2 h THR 840 CO -0.06 0.63 0.55 0.00 0.37 0.00 0.00 175.52 177.01 1sr2 h ALA 841 N 0.77 1.09 -0.33 6.16 0.00 -0.53 0.41 119.26 126.84 1sr2 h ALA 841 Ca -0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1sr2 h ALA 841 Cb 1.33 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1sr2 h ALA 841 CO 0.14 0.52 -0.39 0.45 0.00 0.00 0.00 179.25 179.97 1sr2 h HIS 842 N 1.17 0.93 -0.18 0.00 -0.00 -0.84 0.06 115.15 116.28 1sr2 h HIS 842 Ca 0.31 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1sr2 h HIS 842 Cb -0.11 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 1sr2 h HIS 842 CO -0.01 1.04 0.10 0.00 -0.00 0.00 0.00 177.93 179.06 1sr2 h ARG 843 N 0.64 0.26 -0.63 2.45 -0.00 -0.16 -0.74 114.38 116.20 1sr2 h ARG 843 Ca 0.05 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.98 59.43 1sr2 h ARG 843 Cb 0.94 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.84 1sr2 h ARG 843 CO 0.09 0.27 0.12 -0.07 0.00 0.00 0.00 179.97 180.38 1sr2 h LEU 844 N 0.18 0.98 -0.67 3.04 3.38 -0.13 -0.10 115.31 121.99 1sr2 h LEU 844 Ca 0.06 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 844 Cb 0.09 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1sr2 h LEU 844 CO -0.01 0.98 0.37 0.50 0.09 0.00 0.00 178.44 180.36 1sr2 h LYS 845 N 0.94 0.64 -0.24 1.13 3.64 -0.80 0.16 116.57 122.03 1sr2 h LYS 845 Ca 0.19 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1sr2 h LYS 845 Cb 0.40 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1sr2 h LYS 845 CO 0.01 0.43 -0.13 0.78 -2.27 0.00 0.00 179.45 178.26 1sr2 h GLY 846 N 0.66 0.56 1.80 5.01 0.00 -0.57 -0.98 103.07 109.55 1sr2 h GLY 846 Ca 0.31 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1sr2 h GLY 846 CO -0.20 0.47 -0.60 -0.39 0.00 0.00 0.00 176.54 175.82 1sr2 h VAL 847 N 0.24 1.39 -0.27 4.60 -1.51 -0.78 1.00 116.25 120.91 1sr2 h VAL 847 Ca 0.05 -1.99 -0.17 0.00 -1.23 0.00 0.00 66.70 63.37 1sr2 h VAL 847 Cb 0.64 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1sr2 h VAL 847 CO 0.04 0.58 -0.49 -0.26 -1.23 0.00 0.00 177.57 176.21 1sr2 h PHE 848 N 0.15 0.92 -0.33 5.19 0.04 -0.69 0.15 116.94 122.37 1sr2 h PHE 848 Ca -0.01 -0.31 -0.06 0.00 2.80 0.00 0.00 57.97 60.40 1sr2 h PHE 848 Cb 1.10 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 1sr2 h PHE 848 CO 0.02 1.09 -0.05 0.00 -0.60 0.00 0.00 178.31 178.77 1sr2 h ALA 849 N 0.86 1.31 -0.49 2.45 0.00 -0.92 0.48 119.26 122.94 1sr2 h ALA 849 Ca 0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1sr2 h ALA 849 Cb 1.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1sr2 h ALA 849 CO 0.10 0.47 -0.03 1.98 0.00 0.00 0.00 179.25 181.77 1sr2 h MET 850 N 0.50 0.88 0.00 0.00 1.85 -0.41 -2.17 114.93 115.59 1sr2 h MET 850 Ca 0.10 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1sr2 h MET 850 Cb 0.40 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.36 1sr2 h MET 850 CO 0.02 0.94 0.00 1.28 -0.40 0.00 0.00 176.91 178.74 1sr2 n LEU 851 N -4.30 0.23 -0.55 3.39 4.77 0.50 -4.88 117.00 116.16 1sr2 n LEU 851 Ca 0.01 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1sr2 n LEU 851 Cb 0.34 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1sr2 n LEU 851 CO 0.43 -0.22 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.01 1sr2 n ASN 852 N -1.74 -3.02 -4.42 -1.43 2.85 0.86 -4.97 115.26 103.39 1sr2 n ASN 852 Ca 0.05 0.07 -0.44 0.00 -0.11 0.00 0.00 54.58 54.14 1sr2 n ASN 852 Cb 0.27 -1.72 -0.03 0.00 1.24 0.00 0.00 39.78 39.55 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1sr2 s LEU 853 N -1.49 5.31 0.05 1.20 1.43 0.13 -4.93 118.68 120.39 1sr2 s LEU 853 Ca 0.00 -1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 50.88 1sr2 s LEU 853 Cb 0.00 -2.35 -0.18 0.00 0.03 0.00 0.00 46.19 43.69 1sr2 s LEU 853 CO 0.00 -1.04 1.51 0.58 0.23 0.00 0.00 176.35 177.64 1sr2 h VAL 854 N 5.69 0.44 -0.86 -1.59 2.07 -1.94 -1.20 116.25 118.86 1sr2 h VAL 854 Ca 0.02 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1sr2 h VAL 854 Cb 1.04 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1sr2 h VAL 854 CO 1.06 0.02 0.56 1.55 0.02 0.00 0.00 177.57 180.78 1sr2 h PRO 855 N -0.83 0.65 -0.13 1.57 0.13 -1.97 0.32 132.00 131.74 1sr2 h PRO 855 Ca -0.08 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1sr2 h PRO 855 Cb 0.60 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1sr2 h PRO 855 CO 0.12 0.43 -0.00 0.78 -0.23 0.00 0.00 178.00 179.10 1sr2 h GLY 856 N 0.67 0.25 1.45 1.56 0.00 -1.90 -1.18 103.07 103.92 1sr2 h GLY 856 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1sr2 h GLY 856 CO -0.18 0.18 0.16 1.70 0.00 0.00 0.00 176.54 178.39 1sr2 h LYS 857 N -0.04 0.70 -0.56 4.80 3.64 -0.45 -2.01 116.57 122.65 1sr2 h LYS 857 Ca 0.04 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1sr2 h LYS 857 Cb 0.38 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1sr2 h LYS 857 CO 0.01 0.61 0.34 0.37 -2.27 0.00 0.00 179.45 178.50 1sr2 h GLN 858 N 0.69 0.66 -0.62 1.90 5.75 -0.16 0.13 115.11 123.45 1sr2 h GLN 858 Ca 0.16 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1sr2 h GLN 858 Cb 0.20 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1sr2 h GLN 858 CO -0.01 0.44 0.39 -0.07 -2.65 0.00 0.00 178.83 176.92 1sr2 h LEU 859 N 0.68 0.64 -1.16 -2.39 3.38 -0.52 -0.53 115.31 115.40 1sr2 h LEU 859 Ca 0.22 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1sr2 h LEU 859 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sr2 h LEU 859 CO -0.09 0.45 -0.27 0.00 0.09 0.00 0.00 178.44 178.62 1sr2 h GLU 861 N 0.23 0.23 -0.33 0.00 4.39 0.18 -1.79 114.58 117.49 1sr2 h GLU 861 Ca 0.04 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1sr2 h GLU 861 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1sr2 h GLU 861 CO 0.04 0.41 -0.06 1.15 -1.16 0.00 0.00 179.01 179.39 1sr2 h THR 862 N 0.01 1.21 -0.03 1.13 2.02 -0.92 -2.11 112.91 114.22 1sr2 h THR 862 Ca 0.04 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.34 1sr2 h THR 862 Cb 0.29 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1sr2 h THR 862 CO 0.00 0.30 -0.08 0.25 0.37 0.00 0.00 175.52 176.36 1sr2 h LEU 863 N 0.50 -0.25 -1.14 2.58 6.46 -0.80 0.36 115.31 123.02 1sr2 h LEU 863 Ca 0.10 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1sr2 h LEU 863 Cb 0.41 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1sr2 h LEU 863 CO 0.02 -0.12 0.17 1.05 -0.62 0.00 0.00 178.44 178.94 1sr2 h GLU 864 N -0.13 0.77 -0.48 1.25 4.11 -1.10 -0.62 114.58 118.39 1sr2 h GLU 864 Ca 0.04 -0.13 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 1sr2 h GLU 864 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sr2 h GLU 864 CO -0.11 0.67 -0.15 1.25 0.07 0.00 0.00 179.01 180.73 1sr2 h HIS 865 N 0.76 1.03 0.00 2.06 2.76 -0.84 -1.56 115.15 119.36 1sr2 h HIS 865 Ca 0.18 -0.22 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 1sr2 h HIS 865 Cb 0.21 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1sr2 h HIS 865 CO 0.01 1.00 -0.36 -0.07 -1.30 0.00 0.00 177.93 177.21 1sr2 h LEU 866 N 0.81 0.00 -0.29 0.26 3.38 0.49 -1.30 115.31 118.66 1sr2 h LEU 866 Ca 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1sr2 h LEU 866 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1sr2 h LEU 866 CO 0.05 0.36 -0.66 0.40 0.09 0.00 0.00 178.44 178.68 1sr2 h ILE 867 N 0.00 1.29 -0.42 1.22 2.04 -0.78 0.45 117.51 121.32 1sr2 h ILE 867 Ca -0.00 -1.88 -0.06 0.00 1.00 0.00 0.00 64.86 63.92 1sr2 h ILE 867 Cb 0.64 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1sr2 h ILE 867 CO 0.05 0.60 0.02 0.08 0.00 0.00 0.00 178.15 178.89 1sr2 h ARG 868 N 0.54 0.67 -0.00 2.37 -0.00 -0.82 -2.07 114.38 115.07 1sr2 h ARG 868 Ca -0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1sr2 h ARG 868 Cb 1.26 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 1sr2 h ARG 868 CO 0.14 0.67 -0.20 0.39 -0.00 0.00 0.00 179.97 180.97 1sr2 n GLU 869 N -4.25 0.35 -3.12 0.08 -0.58 -0.53 -4.93 120.64 107.66 1sr2 n GLU 869 Ca 0.02 -0.14 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 1sr2 n GLU 869 Cb 0.26 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.68 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sr2 n LYS 870 N -1.21 -5.32 -2.96 3.49 4.76 -0.48 -4.93 118.16 111.52 1sr2 n LYS 870 Ca 0.10 0.80 -0.44 0.00 -2.87 0.00 0.00 58.31 55.90 1sr2 n LYS 870 Cb 0.31 -5.51 -0.01 0.00 -1.84 0.00 0.00 35.03 27.98 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 -2.91 7.00 0.14 4.39 -1.08 0.03 -4.89 116.67 119.35 1sr2 s ASP 871 Ca 0.36 -2.84 -0.23 0.00 -0.52 0.00 0.00 52.55 49.32 1sr2 s ASP 871 Cb -0.16 -2.39 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 1sr2 s ASP 871 CO 0.44 -0.79 1.63 0.58 0.52 0.00 0.00 175.17 177.55 1sr2 h VAL 872 N 4.84 0.41 -0.63 1.11 2.07 -1.92 0.22 116.25 122.36 1sr2 h VAL 872 Ca 0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 1sr2 h VAL 872 Cb 0.90 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1sr2 h VAL 872 CO 1.21 0.00 0.42 1.55 0.02 0.00 0.00 177.57 180.77 1sr2 h PRO 873 N -0.27 0.59 -0.28 1.57 0.13 -1.98 -0.67 132.00 131.09 1sr2 h PRO 873 Ca 0.12 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1sr2 h PRO 873 Cb 0.45 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1sr2 h PRO 873 CO -0.35 0.39 -0.36 0.78 -0.23 0.00 0.00 178.00 178.23 1sr2 h GLY 874 N 0.60 0.80 0.73 1.56 0.00 -1.64 -1.11 103.07 104.02 1sr2 h GLY 874 Ca 0.27 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1sr2 h GLY 874 CO -0.08 0.78 -0.19 -2.22 0.00 0.00 0.00 176.54 174.82 1sr2 h ILE 875 N 0.48 0.57 -0.25 2.60 2.04 0.22 -0.48 117.51 122.69 1sr2 h ILE 875 Ca 0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 1sr2 h ILE 875 Cb 0.94 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1sr2 h ILE 875 CO 0.08 0.00 -0.14 1.05 0.00 0.00 0.00 178.15 179.14 1sr2 h GLU 876 N -0.40 0.43 -0.09 2.37 -0.00 -1.20 0.26 114.58 115.96 1sr2 h GLU 876 Ca 0.01 -0.12 0.01 0.00 -0.00 0.00 0.00 59.36 59.26 1sr2 h GLU 876 Cb 0.39 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1sr2 h GLU 876 CO -0.07 0.57 0.02 -0.22 -0.00 0.00 0.00 179.01 179.32 1sr2 h LYS 877 N 0.40 0.06 -0.04 1.06 3.11 -0.79 0.04 116.57 120.41 1sr2 h LYS 877 Ca 0.07 -0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.76 1sr2 h LYS 877 Cb 0.49 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 1sr2 h LYS 877 CO 0.03 0.04 -0.63 1.88 -2.81 0.00 0.00 179.45 177.96 1sr2 h TYR 878 N 0.06 0.21 -0.71 1.91 -1.99 -0.69 0.16 116.97 115.92 1sr2 h TYR 878 Ca 0.04 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.71 1sr2 h TYR 878 Cb 0.03 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 1sr2 h TYR 878 CO -0.11 0.75 0.45 0.82 -0.00 0.00 0.00 178.16 180.07 1sr2 h ILE 879 N 0.11 1.13 -0.38 -2.88 2.04 -0.71 0.20 117.51 117.03 1sr2 h ILE 879 Ca -0.01 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1sr2 h ILE 879 Cb 1.14 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1sr2 h ILE 879 CO 0.09 0.17 -0.20 0.28 0.00 0.00 0.00 178.15 178.48 1sr2 h SER 880 N 0.91 0.74 -0.19 1.72 0.02 -0.38 -0.32 113.55 116.04 1sr2 h SER 880 Ca 0.27 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1sr2 h SER 880 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1sr2 h SER 880 CO -0.09 0.93 -0.11 0.44 -1.14 0.00 0.00 176.83 176.86 1sr2 h ASP 881 N 0.64 0.55 0.36 3.07 3.32 -0.10 0.25 116.42 124.51 1sr2 h ASP 881 Ca 0.09 -0.14 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 1sr2 h ASP 881 Cb 0.69 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1sr2 h ASP 881 CO 0.05 0.69 -0.73 0.40 -1.72 0.00 0.00 179.24 177.93 1sr2 h ILE 882 N 0.52 1.41 -0.13 0.35 2.04 -0.34 -0.59 117.51 120.76 1sr2 h ILE 882 Ca 0.10 -2.21 -0.05 0.00 1.00 0.00 0.00 64.86 63.70 1sr2 h ILE 882 Cb 0.50 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1sr2 h ILE 882 CO 0.03 0.66 -0.11 -0.78 0.00 0.00 0.00 178.15 177.95 1sr2 h ASP 883 N 0.21 0.32 -0.68 1.72 3.58 -0.42 0.13 116.42 121.28 1sr2 h ASP 883 Ca -0.03 -0.46 -0.04 0.00 0.42 0.00 0.00 57.03 56.92 1sr2 h ASP 883 Cb 1.30 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 1sr2 h ASP 883 CO 0.12 0.71 0.28 0.77 -2.88 0.00 0.00 179.24 178.24 1sr2 h SER 884 N -0.06 0.95 0.78 2.28 4.64 -0.57 0.36 113.55 121.92 1sr2 h SER 884 Ca 0.02 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1sr2 h SER 884 Cb 0.61 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1sr2 h SER 884 CO 0.03 0.84 -0.38 0.22 -0.87 0.00 0.00 176.83 176.67 1sr2 h TYR 885 N 1.01 -0.98 -0.68 4.77 3.20 -0.82 -1.69 116.97 121.80 1sr2 h TYR 885 Ca 0.24 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1sr2 h TYR 885 Cb 0.19 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1sr2 h TYR 885 CO 0.02 -0.60 0.45 0.28 -1.64 0.00 0.00 178.16 176.66 1sr2 h VAL 886 N -1.08 1.15 -0.61 1.81 2.07 -0.66 -1.23 116.25 117.70 1sr2 h VAL 886 Ca -0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1sr2 h VAL 886 Cb 0.81 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1sr2 h VAL 886 CO 0.18 0.16 0.33 0.11 0.02 0.00 0.00 177.57 178.37 1sr2 h LYS 887 N 0.88 0.86 0.00 1.57 1.57 -0.69 0.10 116.57 120.86 1sr2 h LYS 887 Ca 0.26 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1sr2 h LYS 887 Cb -0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1sr2 h LYS 887 CO -0.06 0.66 -0.50 0.66 -0.57 0.00 0.00 179.45 179.63 1sr2 h SER 888 N 0.83 0.00 0.77 0.86 4.64 -0.46 -3.05 113.55 117.15 1sr2 h SER 888 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1sr2 h SER 888 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1sr2 h SER 888 CO -0.03 0.50 -0.53 0.18 -0.87 0.00 0.00 176.83 176.08 1sr2 n LEU 889 N -3.59 0.59 -0.69 5.97 4.32 -0.55 -5.11 117.00 117.93 1sr2 n LEU 889 Ca -0.00 0.18 0.13 0.00 -0.02 0.00 0.00 56.01 56.30 1sr2 n LEU 889 Cb 0.59 -0.23 0.34 0.00 -1.62 0.00 0.00 43.42 42.50 1sr2 n LEU 889 CO 0.39 0.00 0.77 0.18 -1.22 0.00 0.00 177.39 177.51