#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 -5.96 0.00 2.12 6.02 -1.26 -4.51 117.38 113.80 1sr2 n GLN 776 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1sr2 n GLN 776 Cb 0.00 -5.36 0.00 0.00 1.02 0.00 0.00 30.24 25.90 1sr2 n GLN 776 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1sr2 n GLU 777 N -3.85 0.00 -3.80 -1.09 2.13 -1.26 -5.05 120.64 107.72 1sr2 n GLU 777 Ca -0.17 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.35 1sr2 n GLU 777 Cb 0.62 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.18 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sr2 s ALA 778 N 0.00 1.84 0.00 4.31 0.00 -1.26 -5.05 121.76 121.59 1sr2 s ALA 778 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1sr2 s ALA 778 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1sr2 s ALA 778 CO 0.00 -1.64 0.91 1.55 0.00 0.00 0.00 175.76 176.58 1sr2 n VAL 779 N 4.72 0.00 0.00 0.00 3.14 -1.26 -2.78 118.33 122.14 1sr2 n VAL 779 Ca -0.01 1.41 0.00 0.00 -2.96 0.00 0.00 64.34 62.77 1sr2 n VAL 779 Cb 0.42 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 30.98 1sr2 n VAL 779 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sr2 n LEU 780 N -2.05 0.00 -3.88 6.55 -0.00 -1.26 -4.45 117.00 111.91 1sr2 n LEU 780 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1sr2 n LEU 780 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1sr2 n LEU 780 CO 0.00 0.00 -0.25 -1.10 -0.00 0.00 0.00 177.39 176.04 1sr2 s GLN 781 N 0.00 0.29 0.05 1.47 1.11 -1.26 -5.05 119.66 116.27 1sr2 s GLN 781 Ca 0.00 -0.23 -0.24 0.00 0.01 0.00 0.00 55.36 54.90 1sr2 s GLN 781 Cb 0.00 0.12 -0.17 0.00 -1.01 0.00 0.00 33.01 31.95 1sr2 s GLN 781 CO 0.00 -0.06 1.55 1.37 0.01 0.00 0.00 175.29 178.16 1sr2 h LEU 782 N 5.06 -0.02 0.00 2.90 -0.00 -2.04 -3.47 115.31 117.74 1sr2 h LEU 782 Ca -0.29 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1sr2 h LEU 782 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1sr2 h LEU 782 CO 0.42 0.17 0.00 -0.38 -0.00 0.00 0.00 178.44 178.65 1sr2 n ILE 783 N -5.01 0.00 0.02 0.15 2.08 -1.26 -5.11 119.36 110.23 1sr2 n ILE 783 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1sr2 n ILE 783 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1sr2 n GLU 784 N 0.00 0.00 -3.43 0.38 1.02 -1.26 -5.05 120.64 112.30 1sr2 n GLU 784 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1sr2 n GLU 784 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1sr2 s VAL 785 N -1.08 0.16 -0.03 2.62 -7.23 -1.26 -5.03 120.40 108.55 1sr2 s VAL 785 Ca 0.00 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1sr2 s VAL 785 Cb 0.00 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 1sr2 s VAL 785 CO 0.00 -1.04 0.29 -0.61 -0.31 0.00 0.00 175.10 173.43 1sr2 h GLN 786 N 6.58 -0.15 -1.57 4.82 4.15 -1.99 -3.35 115.11 123.60 1sr2 h GLN 786 Ca 0.12 0.01 -0.73 0.00 0.77 0.00 0.00 58.65 58.83 1sr2 h GLN 786 Cb 0.96 0.03 -0.28 0.00 0.21 0.00 0.00 27.48 28.40 1sr2 h GLN 786 CO 0.29 -0.10 0.94 1.28 -1.93 0.00 0.00 178.83 179.31 1sr2 n LEU 787 N -3.52 7.54 -3.84 -2.39 7.99 -1.26 -4.93 117.00 116.60 1sr2 n LEU 787 Ca -0.02 -4.62 -0.07 0.00 -0.01 0.00 0.00 56.01 51.29 1sr2 n LEU 787 Cb 0.06 -1.01 -0.01 0.00 -0.11 0.00 0.00 43.42 42.35 1sr2 n LEU 787 CO 0.05 1.65 0.53 0.00 -1.51 0.00 0.00 177.39 178.11 1sr2 s ALA 788 N -3.96 -1.14 -1.23 -1.18 0.00 -1.26 -4.99 121.76 108.00 1sr2 s ALA 788 Ca 0.57 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 1sr2 s ALA 788 Cb 0.47 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1sr2 s ALA 788 CO -0.24 -1.03 0.93 1.04 0.00 0.00 0.00 175.76 176.46 1sr2 n GLN 789 N -0.49 -6.21 -1.23 0.00 1.13 -1.26 -4.84 117.38 104.48 1sr2 n GLN 789 Ca -0.05 0.79 -0.03 0.00 -1.94 0.00 0.00 57.00 55.77 1sr2 n GLN 789 Cb 0.59 -5.69 0.01 0.00 0.11 0.00 0.00 30.24 25.26 1sr2 n GLN 789 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1sr2 n GLU 790 N -4.18 0.85 -3.16 -1.09 -0.58 -1.26 -5.11 120.64 106.11 1sr2 n GLU 790 Ca -0.29 -0.47 0.05 0.00 -0.42 0.00 0.00 57.16 56.03 1sr2 n GLU 790 Cb 0.67 -0.05 -0.03 0.00 -0.57 0.00 0.00 31.44 31.46 1sr2 n GLU 790 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sr2 s GLU 791 N -2.49 0.02 -0.27 3.49 2.56 -1.26 -5.14 118.70 115.61 1sr2 s GLU 791 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.97 55.07 1sr2 s GLU 791 Cb -0.01 0.03 0.01 0.00 2.00 0.00 0.00 34.13 36.16 1sr2 s GLU 791 CO 0.06 -0.02 0.02 0.54 -0.56 0.00 0.00 175.26 175.31 1sr2 s VAL 792 N 2.59 3.56 -0.12 3.70 0.11 -1.26 -5.07 120.40 123.91 1sr2 s VAL 792 Ca -0.06 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1sr2 s VAL 792 Cb -0.05 -2.82 0.06 0.00 -1.53 0.00 0.00 36.38 32.04 1sr2 s VAL 792 CO -0.11 0.14 0.19 0.42 -3.33 0.00 0.00 175.10 172.41 1sr2 s THR 793 N 1.44 -0.29 0.03 5.04 -4.23 -1.26 -5.13 115.64 111.24 1sr2 s THR 793 Ca 0.02 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1sr2 s THR 793 Cb -0.17 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1sr2 s THR 793 CO -0.00 0.07 1.03 -1.61 -0.54 0.00 0.00 174.62 173.56 1sr2 s GLU 794 N 2.32 4.54 -0.46 3.99 8.01 -1.26 -5.01 118.70 130.83 1sr2 s GLU 794 Ca 0.03 1.50 -0.09 0.00 0.01 0.00 0.00 54.97 56.42 1sr2 s GLU 794 Cb -0.13 -3.43 0.11 0.00 -4.31 0.00 0.00 34.13 26.38 1sr2 s GLU 794 CO -0.07 -0.07 0.33 -1.12 0.01 0.00 0.00 175.26 174.33 1sr2 s SER 795 N 0.92 5.70 0.00 -0.19 0.01 -1.26 -4.96 113.70 113.93 1sr2 s SER 795 Ca 0.53 -1.81 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 1sr2 s SER 795 Cb -0.23 -2.01 -0.14 0.00 0.21 0.00 0.00 66.02 63.85 1sr2 s SER 795 CO 0.29 -0.66 2.80 -2.65 0.41 0.00 0.00 173.24 173.42 1sr2 n PRO 796 N 4.92 1.49 0.00 12.44 -0.02 -1.26 -4.80 135.00 147.77 1sr2 n PRO 796 Ca -0.09 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 1sr2 n PRO 796 Cb 0.41 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1sr2 n PRO 796 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sr2 n LEU 797 N 2.02 0.00 -0.02 2.45 4.77 -1.26 -4.46 117.00 120.50 1sr2 n LEU 797 Ca 0.22 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1sr2 n LEU 797 Cb 0.71 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1sr2 n LEU 797 CO 0.06 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1sr2 n GLY 798 N 0.00 0.40 0.22 -0.72 0.00 -1.26 -2.62 105.19 101.20 1sr2 n GLY 798 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.09 1.09 2.65 -0.02 0.00 -1.26 -5.06 105.19 100.50 1sr2 n GLY 799 Ca -0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.11 1.92 0.07 1.61 -1.08 -1.08 -5.00 116.67 111.00 1sr2 s ASP 800 Ca 0.00 -1.67 -0.19 0.00 -0.52 0.00 0.00 52.55 50.16 1sr2 s ASP 800 Cb 0.00 0.20 -0.10 0.00 -1.46 0.00 0.00 42.92 41.56 1sr2 s ASP 800 CO 0.00 -0.30 1.49 -0.33 0.52 0.00 0.00 175.17 176.55 1sr2 h GLU 801 N 7.25 0.38 -0.54 4.34 3.07 -1.96 -2.30 114.58 124.82 1sr2 h GLU 801 Ca 0.02 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1sr2 h GLU 801 Cb 1.03 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1sr2 h GLU 801 CO 0.25 0.59 0.31 -0.97 -1.40 0.00 0.00 179.01 177.79 1sr2 h ASN 802 N 0.12 0.65 -0.38 1.42 -0.73 -1.94 0.37 115.58 115.09 1sr2 h ASN 802 Ca 0.06 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1sr2 h ASN 802 Cb 0.44 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1sr2 h ASN 802 CO 0.01 0.53 0.12 0.00 -0.37 0.00 0.00 177.43 177.72 1sr2 h ALA 803 N 1.15 0.50 -0.69 1.57 0.00 -1.95 -1.00 119.26 118.84 1sr2 h ALA 803 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sr2 h ALA 803 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1sr2 h ALA 803 CO -0.03 0.15 0.32 0.37 0.00 0.00 0.00 179.25 180.06 1sr2 h GLN 804 N 0.47 1.00 -0.26 0.00 5.75 -1.08 0.37 115.11 121.37 1sr2 h GLN 804 Ca 0.12 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 1sr2 h GLN 804 Cb 0.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1sr2 h GLN 804 CO -0.00 0.80 -0.13 1.25 -2.65 0.00 0.00 178.83 178.09 1sr2 h LEU 805 N 0.97 0.42 -0.10 -2.39 5.85 -0.76 -1.59 115.31 117.70 1sr2 h LEU 805 Ca 0.24 -0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.61 1sr2 h LEU 805 Cb 0.13 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1sr2 h LEU 805 CO -0.03 0.58 -1.01 -0.74 -0.34 0.00 0.00 178.44 176.91 1sr2 h HIS 806 N 0.40 0.65 -0.39 1.25 2.76 -0.55 -2.33 115.15 116.95 1sr2 h HIS 806 Ca 0.08 -0.37 -0.06 0.00 -2.20 0.00 0.00 60.37 57.82 1sr2 h HIS 806 Cb 0.48 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1sr2 h HIS 806 CO 0.01 1.21 -0.00 0.00 -1.30 0.00 0.00 177.93 177.85 1sr2 h ALA 807 N 0.67 1.28 0.00 5.26 0.00 0.17 -1.45 119.26 125.18 1sr2 h ALA 807 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sr2 h ALA 807 Cb 1.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1sr2 h ALA 807 CO 0.18 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 1sr2 n SER 808 N -4.25 0.53 -0.25 0.00 3.41 -0.64 -4.89 113.62 107.54 1sr2 n SER 808 Ca 0.02 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.16 1sr2 n SER 808 Cb 0.27 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.50 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 1.01 0.63 0.89 5.00 0.00 -0.55 -4.89 105.19 107.28 1sr2 n GLY 809 Ca 0.05 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 0.64 0.00 1.61 4.01 -0.89 -4.05 117.16 115.65 1sr2 n TYR 810 Ca -0.03 -0.32 0.05 0.00 -0.16 0.00 0.00 57.90 57.43 1sr2 n TYR 810 Cb 0.14 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.61 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 2.80 0.49 -0.56 -0.72 5.03 -1.84 -1.46 116.97 120.72 1sr2 h TYR 811 Ca 0.00 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1sr2 h TYR 811 Cb 0.64 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 1sr2 h TYR 811 CO 0.32 0.30 0.28 0.00 -1.32 0.00 0.00 178.16 177.74 1sr2 h ALA 812 N 1.75 0.72 -0.28 1.82 0.00 -1.92 -1.47 119.26 119.89 1sr2 h ALA 812 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 812 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sr2 h ALA 812 CO -0.03 0.28 -0.34 -0.07 0.00 0.00 0.00 179.25 179.09 1sr2 h LEU 813 N 0.76 0.63 -0.31 0.00 3.38 -1.68 -1.71 115.31 116.37 1sr2 h LEU 813 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sr2 h LEU 813 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sr2 h LEU 813 CO -0.03 0.92 0.21 0.15 0.09 0.00 0.00 178.44 179.78 1sr2 h PHE 814 N 0.51 0.39 -0.01 1.13 3.57 -0.86 -0.83 116.94 120.83 1sr2 h PHE 814 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1sr2 h PHE 814 Cb 0.83 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1sr2 h PHE 814 CO 0.03 0.25 -0.01 1.33 -2.23 0.00 0.00 178.31 177.68 1sr2 n VAL 815 N -4.87 0.00 -0.05 1.41 0.24 -0.59 -3.16 118.33 111.31 1sr2 n VAL 815 Ca -0.01 -0.18 -0.04 0.00 -2.04 0.00 0.00 64.34 62.06 1sr2 n VAL 815 Cb 0.02 0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.15 1.14 -0.05 -1.34 2.03 -0.65 -4.72 116.55 112.80 1sr2 n ASP 816 Ca 0.20 0.33 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 1sr2 n ASP 816 Cb 0.29 -0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 39.88 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 -0.61 1.73 0.60 5.18 2.02 -1.33 -3.33 112.91 117.18 1sr2 h THR 817 Ca 0.00 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 64.88 1sr2 h THR 817 Cb 0.47 3.28 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 1sr2 h THR 817 CO 0.00 0.60 -0.45 0.58 0.37 0.00 0.00 175.52 176.62 1sr2 h VAL 818 N -0.88 0.00 -0.94 3.16 2.07 -1.68 0.26 116.25 118.24 1sr2 h VAL 818 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1sr2 h VAL 818 Cb 1.03 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1sr2 h VAL 818 CO 0.02 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.58 1sr2 h PRO 819 N -1.01 1.23 0.10 1.57 0.11 -1.79 0.39 132.00 132.60 1sr2 h PRO 819 Ca -0.08 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1sr2 h PRO 819 Cb 0.83 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1sr2 h PRO 819 CO 0.03 0.81 -0.05 0.22 -0.21 0.00 0.00 178.00 178.81 1sr2 h ASP 820 N 1.26 -0.11 0.18 -2.05 1.82 -1.61 -1.93 116.42 113.97 1sr2 h ASP 820 Ca 0.35 -0.26 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1sr2 h ASP 820 Cb -0.12 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 1sr2 h ASP 820 CO -0.08 0.20 -0.38 0.44 -1.61 0.00 0.00 179.24 177.80 1sr2 h ASP 821 N -0.43 0.29 -0.77 2.28 5.19 -0.35 -1.73 116.42 120.90 1sr2 h ASP 821 Ca -0.01 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.24 1sr2 h ASP 821 Cb 0.36 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1sr2 h ASP 821 CO 0.02 0.65 0.31 0.58 -3.12 0.00 0.00 179.24 177.69 1sr2 h VAL 822 N 0.24 1.26 -0.58 -1.35 2.07 -0.85 0.47 116.25 117.51 1sr2 h VAL 822 Ca 0.02 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1sr2 h VAL 822 Cb 0.79 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1sr2 h VAL 822 CO 0.06 0.33 0.10 0.11 0.02 0.00 0.00 177.57 178.19 1sr2 h LYS 823 N 1.11 0.95 -0.48 1.57 1.57 -0.87 -0.14 116.57 120.28 1sr2 h LYS 823 Ca 0.26 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1sr2 h LYS 823 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1sr2 h LYS 823 CO -0.02 0.91 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.65 1sr2 h ARG 824 N 0.85 0.82 -0.63 3.15 9.65 -0.92 -1.42 114.38 125.88 1sr2 h ARG 824 Ca 0.18 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1sr2 h ARG 824 Cb 0.41 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.85 1sr2 h ARG 824 CO 0.01 0.84 0.35 -0.07 2.80 0.00 0.00 179.97 183.90 1sr2 h LEU 825 N 0.76 0.53 -0.60 3.80 3.38 0.39 -0.52 115.31 123.05 1sr2 h LEU 825 Ca 0.14 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1sr2 h LEU 825 Cb 0.49 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1sr2 h LEU 825 CO 0.02 0.35 0.32 1.88 0.09 0.00 0.00 178.44 181.10 1sr2 h TYR 826 N 0.66 0.58 -0.39 1.13 0.05 -0.41 0.29 116.97 118.88 1sr2 h TYR 826 Ca 0.28 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1sr2 h TYR 826 Cb 0.15 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1sr2 h TYR 826 CO -0.08 0.28 0.20 1.15 -1.05 0.00 0.00 178.16 178.66 1sr2 h THR 827 N 0.60 1.16 0.00 -2.88 2.02 -0.28 -2.06 112.91 111.46 1sr2 h THR 827 Ca 0.27 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 1sr2 h THR 827 Cb 0.17 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1sr2 h THR 827 CO -0.17 0.17 -0.56 -0.33 0.37 0.00 0.00 175.52 174.99 1sr2 h GLU 828 N 0.49 0.00 -0.39 6.66 4.39 -0.89 -2.99 114.58 121.85 1sr2 h GLU 828 Ca 0.13 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1sr2 h GLU 828 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1sr2 h GLU 828 CO -0.02 0.56 0.05 0.00 -1.16 0.00 0.00 179.01 178.44 1sr2 h ALA 829 N 1.44 0.52 0.00 3.43 0.00 -0.17 0.86 119.26 125.33 1sr2 h ALA 829 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1sr2 h ALA 829 Cb 1.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1sr2 h ALA 829 CO 0.07 0.24 -0.17 0.00 0.00 0.00 0.00 179.25 179.40 1sr2 h ALA 830 N 0.91 1.16 0.00 0.00 0.00 -1.40 -1.39 119.26 118.54 1sr2 h ALA 830 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 830 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sr2 h ALA 830 CO 0.01 0.21 -0.23 2.41 0.00 0.00 0.00 179.25 181.66 1sr2 n THR 831 N -3.53 0.46 -2.48 0.00 -1.04 -0.91 -4.93 114.28 101.86 1sr2 n THR 831 Ca -0.01 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 1sr2 n THR 831 Cb 0.32 -0.40 0.01 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.15 -4.62 -4.11 8.00 7.64 -0.17 -4.93 113.62 113.29 1sr2 n SER 832 Ca 0.05 -0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1sr2 n SER 832 Cb 0.43 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 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 -1.00 5.04 0.26 6.43 -0.08 0.12 -4.79 116.55 122.53 1sr2 n ASP 833 Ca -0.14 -3.03 0.11 0.00 -1.51 0.00 0.00 54.79 50.22 1sr2 n ASP 833 Cb 0.62 -1.54 0.72 0.00 2.34 0.00 0.00 41.12 43.26 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 6.37 0.00 -0.66 -0.67 0.04 -1.92 0.11 116.94 120.21 1sr2 h PHE 834 Ca 0.38 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.11 1sr2 h PHE 834 Cb 0.73 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1sr2 h PHE 834 CO 1.22 0.09 0.25 0.00 -0.60 0.00 0.00 178.31 179.27 1sr2 h ALA 835 N 1.91 0.86 -0.03 2.45 0.00 -1.96 0.13 119.26 122.63 1sr2 h ALA 835 Ca -0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1sr2 h ALA 835 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sr2 h ALA 835 CO 0.01 0.49 -0.88 0.00 0.00 0.00 0.00 179.25 178.87 1sr2 h ALA 836 N 1.11 0.41 -0.55 0.00 0.00 -1.56 -2.06 119.26 116.61 1sr2 h ALA 836 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sr2 h ALA 836 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sr2 h ALA 836 CO -0.02 0.79 0.35 -0.07 0.00 0.00 0.00 179.25 180.30 1sr2 h LEU 837 N 0.27 0.65 -0.86 0.00 4.07 -0.63 -0.51 115.31 118.30 1sr2 h LEU 837 Ca -0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 1sr2 h LEU 837 Cb 1.50 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 43.04 1sr2 h LEU 837 CO 0.15 0.50 0.31 0.00 -1.08 0.00 0.00 178.44 178.32 1sr2 h ALA 838 N 1.18 1.09 -0.28 1.53 0.00 -0.66 0.18 119.26 122.29 1sr2 h ALA 838 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1sr2 h ALA 838 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1sr2 h ALA 838 CO -0.04 0.65 0.14 1.96 0.00 0.00 0.00 179.25 181.96 1sr2 h GLN 839 N 1.12 0.29 -0.20 0.00 1.08 -0.71 0.58 115.11 117.27 1sr2 h GLN 839 Ca 0.26 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.24 1sr2 h GLN 839 Cb 0.21 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1sr2 h GLN 839 CO -0.02 0.19 -0.66 1.79 -0.95 0.00 0.00 178.83 179.18 1sr2 h THR 840 N 0.30 1.29 -0.48 -0.54 1.35 -0.84 -1.72 112.91 112.27 1sr2 h THR 840 Ca 0.12 -1.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1sr2 h THR 840 Cb 0.04 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1sr2 h THR 840 CO -0.08 0.60 0.20 0.00 -0.25 0.00 0.00 175.52 175.99 1sr2 h ALA 841 N 0.69 1.47 -0.32 6.62 0.00 -0.48 0.22 119.26 127.46 1sr2 h ALA 841 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 841 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1sr2 h ALA 841 CO 0.14 0.41 -0.26 0.45 0.00 0.00 0.00 179.25 179.99 1sr2 h HIS 842 N 0.67 0.88 -0.16 0.00 -0.00 -0.73 0.88 115.15 116.70 1sr2 h HIS 842 Ca 0.17 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1sr2 h HIS 842 Cb 0.11 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1sr2 h HIS 842 CO 0.01 1.00 0.10 -0.09 -0.00 0.00 0.00 177.93 178.94 1sr2 h ARG 843 N 0.51 0.20 -0.37 2.45 9.65 -0.59 -0.62 114.38 125.60 1sr2 h ARG 843 Ca 0.06 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 1sr2 h ARG 843 Cb 0.82 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1sr2 h ARG 843 CO 0.07 0.13 0.01 -0.07 2.80 0.00 0.00 179.97 182.91 1sr2 h LEU 844 N 0.21 0.64 -0.48 3.80 3.38 -0.55 -0.46 115.31 121.84 1sr2 h LEU 844 Ca 0.06 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1sr2 h LEU 844 Cb -0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1sr2 h LEU 844 CO -0.02 0.78 0.11 0.50 0.09 0.00 0.00 178.44 179.90 1sr2 h LYS 845 N 0.47 0.25 -0.10 1.13 3.64 -0.68 0.37 116.57 121.65 1sr2 h LYS 845 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1sr2 h LYS 845 Cb 0.44 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sr2 h LYS 845 CO 0.02 0.16 0.01 0.78 -2.27 0.00 0.00 179.45 178.15 1sr2 h GLY 846 N 0.26 0.18 0.93 5.01 0.00 -0.82 -1.92 103.07 106.71 1sr2 h GLY 846 Ca 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1sr2 h GLY 846 CO -0.30 0.11 0.04 -0.39 0.00 0.00 0.00 176.54 176.00 1sr2 h VAL 847 N -0.08 1.25 -0.77 4.60 -1.51 -0.81 -0.02 116.25 118.92 1sr2 h VAL 847 Ca 0.03 -0.92 -0.03 0.00 -1.23 0.00 0.00 66.70 64.55 1sr2 h VAL 847 Cb 0.30 1.09 -0.04 0.00 -2.13 0.00 0.00 31.29 30.51 1sr2 h VAL 847 CO 0.00 0.31 0.37 -0.26 -1.23 0.00 0.00 177.57 176.77 1sr2 h PHE 848 N 0.50 1.11 -0.81 5.19 0.04 -0.96 0.22 116.94 122.22 1sr2 h PHE 848 Ca 0.12 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 1sr2 h PHE 848 Cb 0.41 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1sr2 h PHE 848 CO 0.03 0.81 0.38 0.00 -0.60 0.00 0.00 178.31 178.93 1sr2 h ALA 849 N 1.19 1.05 -0.27 2.45 0.00 -1.11 0.19 119.26 122.76 1sr2 h ALA 849 Ca 0.26 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1sr2 h ALA 849 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sr2 h ALA 849 CO -0.03 0.62 -0.32 1.98 0.00 0.00 0.00 179.25 181.50 1sr2 h MET 850 N 1.16 0.57 0.00 0.00 1.85 -0.17 -2.12 114.93 116.21 1sr2 h MET 850 Ca 0.28 -0.25 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1sr2 h MET 850 Cb 0.13 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.15 1sr2 h MET 850 CO -0.03 0.82 -0.03 1.28 -0.40 0.00 0.00 176.91 178.55 1sr2 n LEU 851 N -4.07 0.20 -0.77 3.39 4.77 0.69 -4.90 117.00 116.30 1sr2 n LEU 851 Ca -0.01 0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 1sr2 n LEU 851 Cb 0.46 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1sr2 n LEU 851 CO 0.44 -0.03 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.18 1sr2 n ASN 852 N -1.66 -3.17 -4.49 -1.43 5.15 0.39 -4.68 115.26 105.37 1sr2 n ASN 852 Ca 0.07 0.06 -0.43 0.00 -0.60 0.00 0.00 54.58 53.67 1sr2 n ASN 852 Cb 0.36 -2.10 -0.01 0.00 -0.53 0.00 0.00 39.78 37.50 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sr2 s LEU 853 N -2.03 4.70 0.10 1.20 1.43 0.39 -4.91 118.68 119.56 1sr2 s LEU 853 Ca 0.00 -2.45 -0.34 0.00 -1.03 0.00 0.00 54.13 50.31 1sr2 s LEU 853 Cb 0.00 -2.45 -0.15 0.00 0.03 0.00 0.00 46.19 43.63 1sr2 s LEU 853 CO 0.00 -0.99 1.57 0.58 0.23 0.00 0.00 176.35 177.74 1sr2 h VAL 854 N 5.40 0.05 -1.01 -1.59 2.07 -1.93 0.47 116.25 119.71 1sr2 h VAL 854 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1sr2 h VAL 854 Cb 0.94 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1sr2 h VAL 854 CO 1.25 0.00 0.66 -0.65 0.02 0.00 0.00 177.57 178.85 1sr2 h PRO 855 N -0.86 1.23 -0.36 1.57 0.11 -1.98 0.37 132.00 132.08 1sr2 h PRO 855 Ca -0.03 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1sr2 h PRO 855 Cb 0.80 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1sr2 h PRO 855 CO -0.17 0.82 0.10 0.78 -0.21 0.00 0.00 178.00 179.32 1sr2 h GLY 856 N 1.27 0.61 1.45 -0.55 0.00 -1.90 -0.69 103.07 103.25 1sr2 h GLY 856 Ca 0.40 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1sr2 h GLY 856 CO -0.13 0.35 -0.10 1.70 0.00 0.00 0.00 176.54 178.35 1sr2 h LYS 857 N 0.43 0.66 -0.55 4.80 3.64 -0.25 -1.91 116.57 123.39 1sr2 h LYS 857 Ca 0.12 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1sr2 h LYS 857 Cb 0.27 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1sr2 h LYS 857 CO -0.00 0.75 0.36 1.96 -2.27 0.00 0.00 179.45 180.25 1sr2 h GLN 858 N 0.61 0.71 -0.67 1.90 4.20 0.02 0.86 115.11 122.74 1sr2 h GLN 858 Ca 0.11 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1sr2 h GLN 858 Cb 0.53 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1sr2 h GLN 858 CO 0.03 0.47 0.43 -0.07 -0.67 0.00 0.00 178.83 179.03 1sr2 h LEU 859 N 0.73 0.74 -1.49 1.46 3.38 -0.74 -1.55 115.31 117.84 1sr2 h LEU 859 Ca 0.21 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1sr2 h LEU 859 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1sr2 h LEU 859 CO -0.05 0.53 -0.23 0.00 0.09 0.00 0.00 178.44 178.78 1sr2 h GLU 861 N 0.04 -0.36 -0.62 0.00 4.39 0.10 -0.14 114.58 117.99 1sr2 h GLU 861 Ca 0.01 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1sr2 h GLU 861 Cb 0.43 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1sr2 h GLU 861 CO 0.03 -0.05 0.10 1.15 -1.16 0.00 0.00 179.01 179.08 1sr2 h THR 862 N -0.67 1.25 -0.16 1.13 2.02 -1.20 -1.89 112.91 113.40 1sr2 h THR 862 Ca -0.04 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.18 1sr2 h THR 862 Cb 0.47 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1sr2 h THR 862 CO 0.06 0.37 0.02 0.25 0.37 0.00 0.00 175.52 176.59 1sr2 h LEU 863 N 0.95 -0.02 -0.58 2.58 6.46 -0.70 0.23 115.31 124.23 1sr2 h LEU 863 Ca 0.19 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 1sr2 h LEU 863 Cb 0.41 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1sr2 h LEU 863 CO 0.01 0.01 0.25 -0.08 -0.62 0.00 0.00 178.44 178.01 1sr2 h GLU 864 N 0.08 0.44 -0.59 1.25 4.81 -0.76 0.90 114.58 120.70 1sr2 h GLU 864 Ca 0.07 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1sr2 h GLU 864 Cb 0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1sr2 h GLU 864 CO -0.11 0.29 0.10 1.25 -0.73 0.00 0.00 179.01 179.81 1sr2 h HIS 865 N 0.45 0.99 -0.02 0.92 2.76 -0.84 -0.31 115.15 119.11 1sr2 h HIS 865 Ca 0.28 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1sr2 h HIS 865 Cb 0.29 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1sr2 h HIS 865 CO -0.14 0.84 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.92 1sr2 h LEU 866 N 0.89 0.03 -0.18 0.26 3.38 0.58 0.13 115.31 120.41 1sr2 h LEU 866 Ca 0.18 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.92 1sr2 h LEU 866 Cb 0.39 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1sr2 h LEU 866 CO 0.01 0.37 -0.80 0.40 0.09 0.00 0.00 178.44 178.52 1sr2 h ILE 867 N 0.03 1.29 -0.35 1.22 2.04 -0.21 0.14 117.51 121.67 1sr2 h ILE 867 Ca 0.00 -2.02 -0.10 0.00 1.00 0.00 0.00 64.86 63.74 1sr2 h ILE 867 Cb 0.62 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1sr2 h ILE 867 CO 0.05 0.64 -0.21 0.08 0.00 0.00 0.00 178.15 178.70 1sr2 h ARG 868 N 0.50 0.67 0.00 2.37 -0.00 -0.66 -1.97 114.38 115.28 1sr2 h ARG 868 Ca -0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1sr2 h ARG 868 Cb 1.42 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.35 1sr2 h ARG 868 CO 0.16 0.83 0.00 0.39 -0.00 0.00 0.00 179.97 181.35 1sr2 n GLU 869 N -4.13 0.03 -3.44 0.08 -0.58 0.43 -4.92 120.64 108.11 1sr2 n GLU 869 Ca 0.00 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.58 1sr2 n GLU 869 Cb 0.41 -1.54 0.08 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.59 -6.92 -3.30 3.49 4.76 -0.20 -4.96 118.16 109.43 1sr2 n LYS 870 Ca 0.07 0.76 -0.46 0.00 -2.87 0.00 0.00 58.31 55.80 1sr2 n LYS 870 Cb 0.34 -5.58 -0.03 0.00 -1.84 0.00 0.00 35.03 27.92 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 -3.56 6.50 0.11 4.39 -1.08 0.33 -4.96 116.67 118.40 1sr2 s ASP 871 Ca 0.38 -2.26 -0.26 0.00 -0.52 0.00 0.00 52.55 49.89 1sr2 s ASP 871 Cb -0.17 -2.22 -0.08 0.00 -1.46 0.00 0.00 42.92 38.99 1sr2 s ASP 871 CO 0.66 -0.72 1.65 0.58 0.52 0.00 0.00 175.17 177.86 1sr2 h VAL 872 N 5.31 0.48 -0.69 1.11 2.07 -1.93 -1.31 116.25 121.28 1sr2 h VAL 872 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1sr2 h VAL 872 Cb 1.07 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 1sr2 h VAL 872 CO 0.89 0.00 0.26 1.55 0.02 0.00 0.00 177.57 180.29 1sr2 h PRO 873 N -0.43 0.41 -0.50 1.57 0.13 -1.98 0.39 132.00 131.60 1sr2 h PRO 873 Ca 0.03 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1sr2 h PRO 873 Cb 0.45 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1sr2 h PRO 873 CO -0.14 0.27 0.21 0.78 -0.23 0.00 0.00 178.00 178.90 1sr2 h GLY 874 N 0.42 0.79 0.94 1.56 0.00 -1.89 -1.96 103.07 102.93 1sr2 h GLY 874 Ca 0.37 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1sr2 h GLY 874 CO -0.36 0.39 0.11 -2.22 0.00 0.00 0.00 176.54 174.46 1sr2 h ILE 875 N 0.66 1.01 0.09 2.60 2.04 -0.29 -1.66 117.51 121.97 1sr2 h ILE 875 Ca 0.17 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1sr2 h ILE 875 Cb 0.17 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1sr2 h ILE 875 CO -0.02 0.04 -0.14 -0.33 0.00 0.00 0.00 178.15 177.71 1sr2 h GLU 876 N 0.23 -0.27 -0.70 2.37 5.08 -0.81 -0.05 114.58 120.43 1sr2 h GLU 876 Ca 0.08 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1sr2 h GLU 876 Cb 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1sr2 h GLU 876 CO -0.04 -0.18 0.44 -0.22 -1.00 0.00 0.00 179.01 178.00 1sr2 h LYS 877 N -0.28 0.83 -0.25 2.33 3.11 -1.26 -1.93 116.57 119.12 1sr2 h LYS 877 Ca 0.02 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.64 1sr2 h LYS 877 Cb 0.29 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1sr2 h LYS 877 CO -0.07 0.55 -0.53 1.88 -2.81 0.00 0.00 179.45 178.46 1sr2 h TYR 878 N 0.85 0.91 -0.44 1.91 -1.99 -1.00 -0.60 116.97 116.62 1sr2 h TYR 878 Ca 0.28 -0.32 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1sr2 h TYR 878 Cb 0.02 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1sr2 h TYR 878 CO -0.04 1.10 0.27 0.82 -0.00 0.00 0.00 178.16 180.31 1sr2 h ILE 879 N 0.57 1.14 0.00 -2.88 2.04 -0.75 -0.31 117.51 117.32 1sr2 h ILE 879 Ca 0.02 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1sr2 h ILE 879 Cb 1.11 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1sr2 h ILE 879 CO 0.11 0.14 -0.28 0.28 0.00 0.00 0.00 178.15 178.41 1sr2 h SER 880 N 0.59 0.00 0.42 1.72 0.02 -1.19 0.20 113.55 115.32 1sr2 h SER 880 Ca 0.16 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1sr2 h SER 880 Cb -0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1sr2 h SER 880 CO -0.03 0.28 -0.62 0.44 -1.14 0.00 0.00 176.83 175.75 1sr2 h ASP 881 N 0.00 0.22 0.44 3.07 5.19 -0.35 0.99 116.42 125.98 1sr2 h ASP 881 Ca -0.00 -0.13 -0.16 0.00 -0.62 0.00 0.00 57.03 56.12 1sr2 h ASP 881 Cb 0.51 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1sr2 h ASP 881 CO 0.04 0.78 -0.69 0.40 -3.12 0.00 0.00 179.24 176.65 1sr2 h ILE 882 N 0.14 1.42 -0.31 0.35 2.04 -0.41 -0.30 117.51 120.45 1sr2 h ILE 882 Ca -0.01 -2.20 -0.13 0.00 1.00 0.00 0.00 64.86 63.53 1sr2 h ILE 882 Cb 1.13 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1sr2 h ILE 882 CO 0.09 0.64 -0.31 -0.78 0.00 0.00 0.00 178.15 177.80 1sr2 h ASP 883 N 0.15 0.81 0.46 1.72 3.58 -0.59 -0.69 116.42 121.87 1sr2 h ASP 883 Ca -0.02 -0.47 -0.11 0.00 0.42 0.00 0.00 57.03 56.85 1sr2 h ASP 883 Cb 1.24 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1sr2 h ASP 883 CO 0.11 1.12 -0.50 0.77 -2.88 0.00 0.00 179.24 177.86 1sr2 h SER 884 N 0.53 0.05 0.83 2.28 4.64 -0.82 -1.32 113.55 119.74 1sr2 h SER 884 Ca 0.05 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1sr2 h SER 884 Cb 0.89 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1sr2 h SER 884 CO 0.08 0.54 -0.42 0.22 -0.87 0.00 0.00 176.83 176.38 1sr2 h TYR 885 N 0.04 -1.10 -0.09 4.77 3.20 -0.51 -1.52 116.97 121.76 1sr2 h TYR 885 Ca -0.00 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1sr2 h TYR 885 Cb 0.90 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 1sr2 h TYR 885 CO 0.00 -0.67 -0.39 -0.24 -1.64 0.00 0.00 178.16 175.22 1sr2 h VAL 886 N -1.15 1.30 -0.62 1.81 3.04 -1.12 -0.27 116.25 119.24 1sr2 h VAL 886 Ca -0.11 -1.45 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 1sr2 h VAL 886 Cb 0.89 1.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 1sr2 h VAL 886 CO 0.17 0.43 0.07 0.11 -1.01 0.00 0.00 177.57 177.34 1sr2 h LYS 887 N 0.16 1.04 0.00 4.17 1.57 -1.16 0.49 116.57 122.83 1sr2 h LYS 887 Ca 0.02 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1sr2 h LYS 887 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1sr2 h LYS 887 CO 0.06 0.97 -0.35 0.66 -0.57 0.00 0.00 179.45 180.23 1sr2 h SER 888 N 0.97 0.00 0.50 0.86 4.64 -0.85 -3.22 113.55 116.44 1sr2 h SER 888 Ca 0.19 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1sr2 h SER 888 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1sr2 h SER 888 CO 0.02 0.00 -0.64 0.18 -0.87 0.00 0.00 176.83 175.52 1sr2 n LEU 889 N -2.90 0.59 0.00 5.97 4.32 -0.15 -5.10 117.00 119.74 1sr2 n LEU 889 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1sr2 n LEU 889 Cb 0.53 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1sr2 n LEU 889 CO 0.36 0.10 0.19 0.18 -1.22 0.00 0.00 177.39 176.99