#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 10.64 -1.26 -4.81 117.38 123.99 1sr2 n GLN 776 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1sr2 n GLN 776 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 1sr2 n GLN 776 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1sr2 h GLU 777 N 0.00 0.00 -4.20 2.61 3.07 -2.08 -3.38 114.58 110.60 1sr2 h GLU 777 Ca 0.00 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.11 1sr2 h GLU 777 Cb 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 27.73 1sr2 h GLU 777 CO 0.00 0.61 1.54 0.00 -1.40 0.00 0.00 179.01 179.77 1sr2 n ALA 778 N -2.93 4.47 0.10 3.43 0.00 -1.26 -4.76 120.51 119.56 1sr2 n ALA 778 Ca -0.11 -4.31 -0.03 0.00 0.00 0.00 0.00 53.44 48.99 1sr2 n ALA 778 Cb 0.36 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 1sr2 n ALA 778 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sr2 h VAL 779 N 4.24 1.37 0.00 0.00 3.04 -1.88 -3.42 116.25 119.60 1sr2 h VAL 779 Ca 0.34 -2.82 0.00 0.00 -1.01 0.00 0.00 66.70 63.21 1sr2 h VAL 779 Cb 0.78 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.66 1sr2 h VAL 779 CO 1.38 0.76 0.00 0.18 -1.01 0.00 0.00 177.57 178.87 1sr2 n LEU 780 N -3.36 0.00 -4.39 3.16 4.77 -1.26 -4.53 117.00 111.39 1sr2 n LEU 780 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1sr2 n LEU 780 Cb 0.82 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 1sr2 n LEU 780 CO 0.44 0.00 -0.50 -1.10 -1.33 0.00 0.00 177.39 174.90 1sr2 s GLN 781 N 0.00 2.49 0.16 3.23 -0.21 -1.26 -5.01 119.66 119.06 1sr2 s GLN 781 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.47 1sr2 s GLN 781 Cb 0.00 -2.28 0.06 0.00 1.00 0.00 0.00 33.01 31.79 1sr2 s GLN 781 CO 0.00 0.53 1.69 1.37 -2.12 0.00 0.00 175.29 176.76 1sr2 h LEU 782 N 5.61 0.82 0.00 2.90 -0.00 -1.95 -3.48 115.31 119.22 1sr2 h LEU 782 Ca -0.41 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1sr2 h LEU 782 Cb 1.15 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1sr2 h LEU 782 CO 0.49 0.82 0.00 2.30 -0.00 0.00 0.00 178.44 182.05 1sr2 n ILE 783 N -4.43 0.00 0.04 0.15 -5.35 -1.26 -5.04 119.36 103.47 1sr2 n ILE 783 Ca 0.03 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.61 1sr2 n ILE 783 Cb 0.21 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 37.95 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sr2 n GLU 784 N 0.00 0.61 -3.38 6.28 4.71 -1.26 -4.68 120.64 122.92 1sr2 n GLU 784 Ca 0.00 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.16 56.56 1sr2 n GLU 784 Cb 0.00 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 28.93 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1sr2 n VAL 785 N -2.17 4.17 -1.01 2.62 0.31 -1.26 -4.92 118.33 116.07 1sr2 n VAL 785 Ca -0.03 -5.39 -0.25 0.00 -0.01 0.00 0.00 64.34 58.65 1sr2 n VAL 785 Cb 0.52 -2.43 -0.07 0.00 -0.91 0.00 0.00 33.84 30.96 1sr2 n VAL 785 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sr2 n GLN 786 N 2.27 2.62 0.00 5.55 0.00 -1.26 -4.26 117.38 122.30 1sr2 n GLN 786 Ca 0.24 -1.55 0.00 0.00 -0.00 0.00 0.00 57.00 55.69 1sr2 n GLN 786 Cb 0.38 -2.41 0.00 0.00 0.00 0.00 0.00 30.24 28.20 1sr2 n GLN 786 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1sr2 n LEU 787 N 3.38 0.00 -3.62 1.69 0.00 -1.26 -5.15 117.00 112.04 1sr2 n LEU 787 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.47 1sr2 n LEU 787 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.75 1sr2 n LEU 787 CO 0.57 0.00 0.72 0.00 0.00 0.00 0.00 177.39 178.69 1sr2 s ALA 788 N -1.00 -1.95 0.00 1.96 0.00 -1.26 -5.14 121.76 114.37 1sr2 s ALA 788 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1sr2 s ALA 788 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1sr2 s ALA 788 CO 0.00 -0.26 0.00 0.94 0.00 0.00 0.00 175.76 176.44 1sr2 n GLN 789 N 1.84 0.00 -1.37 0.00 7.27 -1.26 -5.11 117.38 118.76 1sr2 n GLN 789 Ca -0.12 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 56.95 1sr2 n GLN 789 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1sr2 n GLN 789 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1sr2 n GLU 790 N 0.00 1.35 -3.76 3.69 4.71 -1.26 -5.15 120.64 120.22 1sr2 n GLU 790 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 57.01 1sr2 n GLU 790 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 1sr2 n GLU 790 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1sr2 s GLU 791 N -2.01 0.35 -1.13 3.49 2.12 -1.26 -5.05 118.70 115.21 1sr2 s GLU 791 Ca 0.00 0.45 -0.05 0.00 0.36 0.00 0.00 54.97 55.73 1sr2 s GLU 791 Cb -0.00 0.14 0.11 0.00 0.26 0.00 0.00 34.13 34.63 1sr2 s GLU 791 CO 0.00 -0.06 2.47 1.33 -0.54 0.00 0.00 175.26 178.46 1sr2 n VAL 792 N 3.10 4.83 -0.03 3.70 0.24 -1.26 -4.57 118.33 124.35 1sr2 n VAL 792 Ca -0.14 -4.04 -0.15 0.00 -2.04 0.00 0.00 64.34 57.97 1sr2 n VAL 792 Cb 0.57 -1.97 -0.10 0.00 -1.47 0.00 0.00 33.84 30.88 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1sr2 h THR 793 N 2.46 1.45 0.00 3.34 2.02 -1.96 -3.48 112.91 116.74 1sr2 h THR 793 Ca 0.63 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1sr2 h THR 793 Cb 0.40 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1sr2 h THR 793 CO 1.34 0.50 0.00 -0.62 0.37 0.00 0.00 175.52 177.11 1sr2 n GLU 794 N -4.45 0.00 0.03 6.66 1.02 -1.26 -4.52 120.64 118.12 1sr2 n GLU 794 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sr2 n GLU 794 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1sr2 n GLU 794 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1sr2 n SER 795 N 0.34 0.60 -0.51 1.62 7.64 -1.26 -5.10 113.62 116.94 1sr2 n SER 795 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1sr2 n SER 795 Cb 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 -3.28 2.51 0.06 1.43 -0.04 -1.26 -5.02 135.00 129.40 1sr2 n PRO 796 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1sr2 n PRO 796 Cb 0.20 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.00 0.66 0.00 1.53 4.77 -1.26 -4.96 117.00 117.74 1sr2 n LEU 797 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1sr2 n LEU 797 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1sr2 n LEU 797 CO 0.00 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1sr2 n GLY 798 N 1.28 1.95 0.00 -0.72 0.00 -1.26 -4.81 105.19 101.63 1sr2 n GLY 798 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.63 3.27 -0.02 0.00 -1.26 -5.05 105.19 104.76 1sr2 n GLY 799 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sr2 n ASP 800 N 0.00 -2.37 -0.03 1.61 8.00 -1.26 -4.87 116.55 117.63 1sr2 n ASP 800 Ca 0.00 -0.57 -0.00 0.00 0.71 0.00 0.00 54.79 54.93 1sr2 n ASP 800 Cb 0.00 -4.78 0.29 0.00 -0.02 0.00 0.00 41.12 36.61 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1sr2 h GLU 801 N -1.82 0.59 -0.19 -1.24 3.07 -1.97 -0.49 114.58 112.53 1sr2 h GLU 801 Ca -0.55 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.14 1sr2 h GLU 801 Cb 1.32 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1sr2 h GLU 801 CO 0.47 0.57 -0.16 -2.95 -1.40 0.00 0.00 179.01 175.54 1sr2 h ASN 802 N 0.57 0.30 -0.00 1.42 -1.07 -1.96 0.14 115.58 114.98 1sr2 h ASN 802 Ca 0.13 -0.07 -0.20 0.00 0.07 0.00 0.00 56.30 56.23 1sr2 h ASN 802 Cb 0.27 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 1sr2 h ASN 802 CO 0.00 0.48 -0.72 0.00 0.07 0.00 0.00 177.43 177.26 1sr2 h ALA 803 N 1.55 0.46 -0.23 4.14 0.00 -1.57 -0.61 119.26 123.00 1sr2 h ALA 803 Ca 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1sr2 h ALA 803 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sr2 h ALA 803 CO 0.03 0.71 0.08 0.37 0.00 0.00 0.00 179.25 180.44 1sr2 h GLN 804 N 0.45 0.35 -0.09 0.00 -0.00 -0.67 0.76 115.11 115.91 1sr2 h GLN 804 Ca -0.03 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.46 1sr2 h GLN 804 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.74 1sr2 h GLN 804 CO 0.14 0.42 -0.31 1.25 0.00 0.00 0.00 178.83 180.33 1sr2 h LEU 805 N 0.21 0.16 -0.52 -2.39 6.46 -0.99 0.15 115.31 118.39 1sr2 h LEU 805 Ca 0.07 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.67 1sr2 h LEU 805 Cb 0.21 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1sr2 h LEU 805 CO -0.00 0.48 -0.13 -0.74 -0.62 0.00 0.00 178.44 177.43 1sr2 h HIS 806 N 0.15 1.12 -0.11 1.25 2.76 -0.75 -0.53 115.15 119.03 1sr2 h HIS 806 Ca 0.02 -0.24 -0.23 0.00 -2.20 0.00 0.00 60.37 57.71 1sr2 h HIS 806 Cb 0.63 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 29.33 1sr2 h HIS 806 CO 0.01 1.06 -0.84 0.00 -1.30 0.00 0.00 177.93 176.85 1sr2 h ALA 807 N 0.90 0.25 0.00 5.26 0.00 -0.44 -3.18 119.26 122.05 1sr2 h ALA 807 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sr2 h ALA 807 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sr2 h ALA 807 CO 0.05 0.67 0.00 0.43 0.00 0.00 0.00 179.25 180.40 1sr2 n SER 808 N -3.93 0.00 -0.37 0.00 7.64 0.00 -4.84 113.62 112.13 1sr2 n SER 808 Ca -0.09 -1.10 -0.05 0.00 1.01 0.00 0.00 58.87 58.65 1sr2 n SER 808 Cb 0.78 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 1sr2 n SER 808 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sr2 n GLY 809 N 0.51 0.74 0.04 0.23 0.00 -1.15 -4.89 105.19 100.66 1sr2 n GLY 809 Ca 0.12 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.88 0.38 0.25 1.61 4.01 -0.22 -3.70 117.16 116.60 1sr2 n TYR 810 Ca -0.05 0.11 0.07 0.00 -0.16 0.00 0.00 57.90 57.88 1sr2 n TYR 810 Cb 0.16 -0.59 0.60 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.00 0.00 -0.56 -0.72 3.20 -1.82 0.15 116.97 117.23 1sr2 h TYR 811 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1sr2 h TYR 811 Cb 0.63 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1sr2 h TYR 811 CO 0.00 0.05 0.29 0.00 -1.64 0.00 0.00 178.16 176.86 1sr2 h ALA 812 N 1.95 1.47 0.10 1.82 0.00 -1.91 -1.95 119.26 120.74 1sr2 h ALA 812 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 1sr2 h ALA 812 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sr2 h ALA 812 CO 0.01 0.44 -1.56 -0.07 0.00 0.00 0.00 179.25 178.06 1sr2 h LEU 813 N 0.77 0.32 0.54 0.00 4.07 -1.52 -3.32 115.31 116.17 1sr2 h LEU 813 Ca 0.20 -0.48 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 1sr2 h LEU 813 Cb 0.04 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1sr2 h LEU 813 CO -0.03 1.40 -0.46 0.15 -1.08 0.00 0.00 178.44 178.42 1sr2 h PHE 814 N 0.06 -1.26 -0.04 1.13 3.57 -0.51 -1.78 116.94 118.10 1sr2 h PHE 814 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1sr2 h PHE 814 Cb 2.00 0.48 0.00 0.00 2.79 0.00 0.00 35.95 41.22 1sr2 h PHE 814 CO 0.05 -0.64 0.00 1.33 -2.23 0.00 0.00 178.31 176.82 1sr2 n VAL 815 N -5.55 0.04 -0.09 1.41 0.24 -0.78 -2.97 118.33 110.63 1sr2 n VAL 815 Ca -0.12 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1sr2 n VAL 815 Cb 0.45 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.52 1.90 -0.07 -1.34 2.03 -0.87 -4.80 116.55 112.87 1sr2 n ASP 816 Ca 0.17 0.43 -0.07 0.00 0.52 0.00 0.00 54.79 55.84 1sr2 n ASP 816 Cb 0.15 -0.82 -0.11 0.00 -0.72 0.00 0.00 41.12 39.63 1sr2 n ASP 816 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1sr2 n THR 817 N -4.47 0.94 0.45 5.18 5.66 -0.72 -4.55 114.28 116.77 1sr2 n THR 817 Ca -0.21 -0.56 -0.20 0.00 -3.05 0.00 0.00 64.05 60.03 1sr2 n THR 817 Cb 0.53 -0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 68.54 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 0.00 0.08 0.00 1.08 2.07 -1.64 0.28 116.25 118.11 1sr2 h VAL 818 Ca -0.37 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1sr2 h VAL 818 Cb 1.82 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1sr2 h VAL 818 CO 0.01 0.00 -0.22 1.55 0.02 0.00 0.00 177.57 178.93 1sr2 h PRO 819 N -1.19 0.00 -0.22 1.57 0.13 -1.86 0.11 132.00 130.55 1sr2 h PRO 819 Ca -0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 1sr2 h PRO 819 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1sr2 h PRO 819 CO 0.15 0.22 -0.58 0.22 -0.23 0.00 0.00 178.00 177.78 1sr2 h ASP 820 N 0.00 0.88 -0.32 1.44 3.58 -1.73 -1.53 116.42 118.74 1sr2 h ASP 820 Ca -0.00 -0.57 -0.10 0.00 0.42 0.00 0.00 57.03 56.78 1sr2 h ASP 820 Cb 0.40 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1sr2 h ASP 820 CO 0.03 1.30 -0.17 0.44 -2.88 0.00 0.00 179.24 177.95 1sr2 h ASP 821 N 0.51 0.71 0.24 2.28 3.32 0.12 -1.60 116.42 122.01 1sr2 h ASP 821 Ca -0.01 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1sr2 h ASP 821 Cb 1.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1sr2 h ASP 821 CO 0.13 0.97 -0.35 -0.37 -1.72 0.00 0.00 179.24 177.89 1sr2 h VAL 822 N 0.45 1.28 -0.27 -1.35 -1.51 -0.83 0.37 116.25 114.39 1sr2 h VAL 822 Ca 0.07 -1.33 -0.03 0.00 -1.23 0.00 0.00 66.70 64.18 1sr2 h VAL 822 Cb 0.71 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1sr2 h VAL 822 CO 0.05 0.39 0.03 0.11 -1.23 0.00 0.00 177.57 176.93 1sr2 h LYS 823 N 0.14 0.45 -0.53 5.19 1.57 -1.13 -1.41 116.57 120.85 1sr2 h LYS 823 Ca 0.02 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1sr2 h LYS 823 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1sr2 h LYS 823 CO 0.05 0.58 0.07 0.00 -0.57 0.00 0.00 179.45 179.59 1sr2 h ARG 824 N 0.26 0.84 -0.58 3.15 3.08 -0.86 -1.49 114.38 118.77 1sr2 h ARG 824 Ca 0.08 -0.20 0.08 0.00 0.07 0.00 0.00 59.98 60.02 1sr2 h ARG 824 Cb 0.35 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1sr2 h ARG 824 CO 0.01 0.79 0.23 -0.07 -1.07 0.00 0.00 179.97 179.86 1sr2 h LEU 825 N 0.80 0.25 -1.00 3.04 3.38 -0.04 0.19 115.31 121.93 1sr2 h LEU 825 Ca 0.17 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1sr2 h LEU 825 Cb 0.37 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1sr2 h LEU 825 CO 0.01 0.16 0.18 0.22 0.09 0.00 0.00 178.44 179.09 1sr2 h TYR 826 N 0.43 0.92 -0.23 1.13 5.03 -0.68 0.54 116.97 124.12 1sr2 h TYR 826 Ca 0.29 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1sr2 h TYR 826 Cb 0.32 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1sr2 h TYR 826 CO -0.15 0.75 0.03 1.15 -1.32 0.00 0.00 178.16 178.62 1sr2 h THR 827 N 0.87 1.23 0.00 1.81 2.02 -0.14 -1.69 112.91 117.02 1sr2 h THR 827 Ca 0.20 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 1sr2 h THR 827 Cb 0.26 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1sr2 h THR 827 CO -0.01 0.24 -0.32 -0.33 0.37 0.00 0.00 175.52 175.48 1sr2 h GLU 828 N 0.17 0.00 -0.43 6.66 4.39 -0.49 -2.07 114.58 122.82 1sr2 h GLU 828 Ca 0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1sr2 h GLU 828 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1sr2 h GLU 828 CO 0.01 0.32 -0.07 0.00 -1.16 0.00 0.00 179.01 178.10 1sr2 h ALA 829 N 1.68 0.59 0.00 3.43 0.00 -0.63 -0.69 119.26 123.64 1sr2 h ALA 829 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1sr2 h ALA 829 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sr2 h ALA 829 CO 0.04 0.44 -0.17 0.00 0.00 0.00 0.00 179.25 179.56 1sr2 h ALA 830 N 0.87 1.19 0.00 0.00 0.00 -0.98 -0.99 119.26 119.35 1sr2 h ALA 830 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 830 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sr2 h ALA 830 CO 0.04 0.21 -0.07 2.41 0.00 0.00 0.00 179.25 181.84 1sr2 n THR 831 N -3.56 0.18 -2.27 0.00 -1.04 -0.81 -4.92 114.28 101.86 1sr2 n THR 831 Ca -0.01 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.05 61.72 1sr2 n THR 831 Cb 0.31 -0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 68.36 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 -1.74 -5.33 -4.42 8.00 7.64 -0.37 -4.91 113.62 112.49 1sr2 n SER 832 Ca 0.06 0.03 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 1sr2 n SER 832 Cb 0.37 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 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 -1.47 5.10 0.31 6.43 -0.08 -0.49 -4.79 116.55 121.57 1sr2 n ASP 833 Ca -0.22 -2.97 0.17 0.00 -1.51 0.00 0.00 54.79 50.26 1sr2 n ASP 833 Cb 0.66 -1.61 0.99 0.00 2.34 0.00 0.00 41.12 43.49 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 7.09 0.00 -0.42 -0.67 0.04 -1.91 0.22 116.94 121.30 1sr2 h PHE 834 Ca 0.37 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.06 1sr2 h PHE 834 Cb 0.84 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1sr2 h PHE 834 CO 1.21 0.01 -0.04 0.00 -0.60 0.00 0.00 178.31 178.89 1sr2 h ALA 835 N 1.99 0.56 0.02 2.45 0.00 -1.98 -0.36 119.26 121.95 1sr2 h ALA 835 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1sr2 h ALA 835 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1sr2 h ALA 835 CO 0.00 0.39 -0.97 0.00 0.00 0.00 0.00 179.25 178.66 1sr2 h ALA 836 N 0.88 0.36 -0.05 0.00 0.00 -1.55 -2.15 119.26 116.76 1sr2 h ALA 836 Ca 0.11 -0.74 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1sr2 h ALA 836 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1sr2 h ALA 836 CO 0.03 0.87 -0.09 -0.07 0.00 0.00 0.00 179.25 179.99 1sr2 h LEU 837 N 0.17 -0.27 -0.40 0.00 4.07 -0.57 -0.03 115.31 118.28 1sr2 h LEU 837 Ca -0.08 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1sr2 h LEU 837 Cb 1.62 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.47 1sr2 h LEU 837 CO 0.16 -0.13 0.26 0.00 -1.08 0.00 0.00 178.44 177.65 1sr2 h ALA 838 N 0.89 0.50 -0.24 1.53 0.00 -1.02 0.16 119.26 121.09 1sr2 h ALA 838 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sr2 h ALA 838 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sr2 h ALA 838 CO -0.13 -0.03 0.16 1.96 0.00 0.00 0.00 179.25 181.22 1sr2 h GLN 839 N 0.53 0.32 0.00 0.00 1.08 -1.14 -0.54 115.11 115.37 1sr2 h GLN 839 Ca 0.14 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 1sr2 h GLN 839 Cb -0.04 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1sr2 h GLN 839 CO -0.03 0.21 -0.31 1.15 -0.95 0.00 0.00 178.83 178.90 1sr2 h THR 840 N 0.33 0.72 -0.54 -0.54 2.02 -0.84 -1.70 112.91 112.36 1sr2 h THR 840 Ca 0.09 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.76 1sr2 h THR 840 Cb -0.04 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1sr2 h THR 840 CO -0.02 0.31 -0.10 0.00 0.37 0.00 0.00 175.52 176.08 1sr2 h ALA 841 N 1.69 0.74 -0.51 6.16 0.00 -0.12 0.13 119.26 127.34 1sr2 h ALA 841 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1sr2 h ALA 841 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1sr2 h ALA 841 CO 0.04 0.65 0.27 0.45 0.00 0.00 0.00 179.25 180.67 1sr2 h HIS 842 N 0.90 0.71 -0.13 0.00 -0.00 -0.72 0.16 115.15 116.07 1sr2 h HIS 842 Ca 0.14 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1sr2 h HIS 842 Cb 0.67 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 1sr2 h HIS 842 CO 0.05 0.53 -0.12 0.00 -0.00 0.00 0.00 177.93 178.38 1sr2 h ARG 843 N 0.68 -0.14 -0.52 2.45 -0.00 -1.01 0.11 114.38 115.95 1sr2 h ARG 843 Ca 0.18 0.01 -0.12 0.00 -0.50 0.00 0.00 59.98 59.55 1sr2 h ARG 843 Cb 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.05 1sr2 h ARG 843 CO -0.03 -0.10 -0.14 -0.07 0.00 0.00 0.00 179.97 179.64 1sr2 h LEU 844 N -0.15 1.01 -0.45 3.04 -0.00 -0.51 0.04 115.31 118.28 1sr2 h LEU 844 Ca 0.09 -0.35 -0.01 0.00 -0.00 0.00 0.00 57.88 57.61 1sr2 h LEU 844 Cb 0.28 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1sr2 h LEU 844 CO -0.22 1.14 0.25 0.50 -0.00 0.00 0.00 178.44 180.11 1sr2 h LYS 845 N 0.89 0.63 -0.16 1.13 3.64 -0.46 -1.67 116.57 120.57 1sr2 h LYS 845 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1sr2 h LYS 845 Cb 0.70 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1sr2 h LYS 845 CO 0.05 0.50 -0.02 0.78 -2.27 0.00 0.00 179.45 178.49 1sr2 h GLY 846 N 0.60 0.33 1.06 5.01 0.00 -0.43 -1.33 103.07 108.31 1sr2 h GLY 846 Ca 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1sr2 h GLY 846 CO -0.03 0.23 0.00 -0.39 0.00 0.00 0.00 176.54 176.36 1sr2 h VAL 847 N 0.02 1.26 -0.27 4.60 -1.51 -0.97 0.23 116.25 119.61 1sr2 h VAL 847 Ca 0.04 -1.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 1sr2 h VAL 847 Cb 0.43 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1sr2 h VAL 847 CO 0.01 0.41 0.02 -0.26 -1.23 0.00 0.00 177.57 176.52 1sr2 h PHE 848 N 0.90 0.50 -0.00 5.19 0.04 -1.31 0.10 116.94 122.36 1sr2 h PHE 848 Ca 0.16 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1sr2 h PHE 848 Cb 0.54 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1sr2 h PHE 848 CO 0.04 0.60 -0.10 0.00 -0.60 0.00 0.00 178.31 178.25 1sr2 h ALA 849 N 0.84 1.84 -0.31 2.45 0.00 -1.08 0.49 119.26 123.49 1sr2 h ALA 849 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1sr2 h ALA 849 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1sr2 h ALA 849 CO 0.01 0.12 -0.17 1.98 0.00 0.00 0.00 179.25 181.19 1sr2 h MET 850 N 0.00 0.67 0.00 0.00 1.85 0.12 -2.60 114.93 114.96 1sr2 h MET 850 Ca -0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1sr2 h MET 850 Cb 0.17 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.19 1sr2 h MET 850 CO 0.01 0.89 0.00 1.28 -0.40 0.00 0.00 176.91 178.69 1sr2 n LEU 851 N -4.36 0.00 0.00 3.39 4.77 0.29 -4.86 117.00 116.23 1sr2 n LEU 851 Ca -0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1sr2 n LEU 851 Cb 0.39 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sr2 n LEU 851 CO 0.43 -0.03 0.00 0.59 -1.33 0.00 0.00 177.39 177.04 1sr2 n ASN 852 N -1.30 -2.03 -4.58 -1.43 3.02 0.29 -4.77 115.26 104.47 1sr2 n ASN 852 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1sr2 n ASN 852 Cb 0.22 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sr2 s LEU 853 N 0.00 3.67 0.09 3.41 1.43 0.15 -4.84 118.68 122.59 1sr2 s LEU 853 Ca 0.00 -2.20 -0.31 0.00 -1.03 0.00 0.00 54.13 50.59 1sr2 s LEU 853 Cb 0.00 -2.58 -0.14 0.00 0.03 0.00 0.00 46.19 43.50 1sr2 s LEU 853 CO 0.00 -1.53 1.62 0.58 0.23 0.00 0.00 176.35 177.25 1sr2 h VAL 854 N 5.82 0.31 -0.86 -1.59 2.07 -1.93 -0.51 116.25 119.55 1sr2 h VAL 854 Ca 0.38 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.99 1sr2 h VAL 854 Cb 0.90 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1sr2 h VAL 854 CO 1.42 0.00 0.56 1.55 0.02 0.00 0.00 177.57 181.12 1sr2 h PRO 855 N -0.72 0.84 0.04 1.57 0.13 -1.97 0.56 132.00 132.45 1sr2 h PRO 855 Ca -0.03 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1sr2 h PRO 855 Cb 0.64 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1sr2 h PRO 855 CO -0.04 0.55 -0.02 0.78 -0.23 0.00 0.00 178.00 179.04 1sr2 h GLY 856 N 0.86 -0.06 0.92 1.56 0.00 -1.91 -1.56 103.07 102.88 1sr2 h GLY 856 Ca 0.39 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.79 1sr2 h GLY 856 CO -0.16 -0.02 0.60 1.70 0.00 0.00 0.00 176.54 178.66 1sr2 h LYS 857 N -0.33 1.07 -0.87 4.80 3.11 -0.35 -0.78 116.57 123.22 1sr2 h LYS 857 Ca -0.01 -0.06 0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1sr2 h LYS 857 Cb 0.30 -0.24 -0.07 0.00 -1.00 0.00 0.00 32.23 31.22 1sr2 h LYS 857 CO 0.01 0.71 0.52 0.37 -2.81 0.00 0.00 179.45 178.24 1sr2 h GLN 858 N 1.10 0.85 -0.51 1.90 4.15 0.30 0.98 115.11 123.88 1sr2 h GLN 858 Ca 0.38 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1sr2 h GLN 858 Cb 0.09 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1sr2 h GLN 858 CO -0.13 0.57 0.33 -0.07 -1.93 0.00 0.00 178.83 177.60 1sr2 h LEU 859 N 0.88 0.59 -1.15 -2.39 3.38 -0.12 -1.82 115.31 114.68 1sr2 h LEU 859 Ca 0.41 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 1sr2 h LEU 859 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1sr2 h LEU 859 CO -0.23 0.44 0.24 0.00 0.09 0.00 0.00 178.44 178.98 1sr2 h GLU 861 N 0.83 -0.17 -0.29 0.00 5.08 -0.40 -0.22 114.58 119.40 1sr2 h GLU 861 Ca 0.20 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1sr2 h GLU 861 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1sr2 h GLU 861 CO -0.02 0.01 0.07 1.15 -1.00 0.00 0.00 179.01 179.22 1sr2 h THR 862 N -0.33 1.14 -0.65 1.13 2.02 -1.16 -1.52 112.91 113.54 1sr2 h THR 862 Ca -0.02 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1sr2 h THR 862 Cb 0.26 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1sr2 h THR 862 CO 0.03 0.18 0.34 0.25 0.37 0.00 0.00 175.52 176.68 1sr2 h LEU 863 N 0.41 0.83 -0.80 2.58 6.46 -0.50 -0.85 115.31 123.43 1sr2 h LEU 863 Ca 0.10 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1sr2 h LEU 863 Cb 0.16 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1sr2 h LEU 863 CO -0.00 0.71 0.53 -0.33 -0.62 0.00 0.00 178.44 178.72 1sr2 h GLU 864 N 0.89 1.02 -0.27 1.25 5.08 -0.06 0.16 114.58 122.66 1sr2 h GLU 864 Ca 0.23 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1sr2 h GLU 864 Cb 0.08 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1sr2 h GLU 864 CO -0.03 0.68 -0.05 1.25 -1.00 0.00 0.00 179.01 179.85 1sr2 h HIS 865 N 1.05 0.44 -0.10 4.33 2.76 -0.95 0.17 115.15 122.84 1sr2 h HIS 865 Ca 0.31 -0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 58.27 1sr2 h HIS 865 Cb -0.07 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1sr2 h HIS 865 CO -0.02 0.48 -0.61 -0.07 -1.30 0.00 0.00 177.93 176.41 1sr2 h LEU 866 N 0.40 0.41 -0.26 0.26 3.38 0.07 -0.64 115.31 118.92 1sr2 h LEU 866 Ca 0.08 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1sr2 h LEU 866 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1sr2 h LEU 866 CO 0.02 0.92 -0.06 0.40 0.09 0.00 0.00 178.44 179.81 1sr2 h ILE 867 N 0.26 1.28 -0.79 1.22 2.04 -0.11 0.76 117.51 122.16 1sr2 h ILE 867 Ca -0.01 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1sr2 h ILE 867 Cb 1.14 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 1sr2 h ILE 867 CO 0.10 0.33 0.52 0.08 0.00 0.00 0.00 178.15 179.18 1sr2 h ARG 868 N 0.26 1.05 0.00 2.37 -0.00 -0.59 -1.70 114.38 115.77 1sr2 h ARG 868 Ca 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1sr2 h ARG 868 Cb 0.52 -0.23 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1sr2 h ARG 868 CO 0.02 0.70 -0.15 -1.91 -0.00 0.00 0.00 179.97 178.64 1sr2 n GLU 869 N -4.41 0.18 -3.21 0.08 2.13 -0.26 -4.94 120.64 110.22 1sr2 n GLU 869 Ca 0.09 0.12 -0.16 0.00 0.66 0.00 0.00 57.16 57.87 1sr2 n GLU 869 Cb 0.03 -1.68 0.06 0.00 0.27 0.00 0.00 31.44 30.13 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1sr2 n LYS 870 N -1.98 -5.52 -3.34 5.31 4.76 0.11 -4.98 118.16 112.52 1sr2 n LYS 870 Ca 0.06 0.63 -0.46 0.00 -2.87 0.00 0.00 58.31 55.66 1sr2 n LYS 870 Cb 0.40 -5.03 -0.03 0.00 -1.84 0.00 0.00 35.03 28.53 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 -3.60 6.54 0.13 4.39 2.15 -0.32 -4.95 116.67 121.00 1sr2 s ASP 871 Ca 0.24 -2.43 -0.24 0.00 0.43 0.00 0.00 52.55 50.55 1sr2 s ASP 871 Cb -0.10 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 1sr2 s ASP 871 CO 0.55 -0.65 1.65 0.58 -0.17 0.00 0.00 175.17 177.13 1sr2 h VAL 872 N 5.13 0.50 -0.98 1.11 2.07 -1.94 -1.43 116.25 120.72 1sr2 h VAL 872 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1sr2 h VAL 872 Cb 1.06 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1sr2 h VAL 872 CO 0.83 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 178.39 1sr2 h PRO 873 N -0.28 0.91 -0.82 1.57 0.11 -1.99 -0.54 132.00 130.96 1sr2 h PRO 873 Ca 0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1sr2 h PRO 873 Cb 0.40 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 1sr2 h PRO 873 CO -0.25 0.60 0.39 0.78 -0.21 0.00 0.00 178.00 179.31 1sr2 h GLY 874 N 0.94 1.28 0.85 -0.55 0.00 -1.80 -1.59 103.07 102.19 1sr2 h GLY 874 Ca 0.49 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1sr2 h GLY 874 CO -0.25 0.61 -0.17 -2.22 0.00 0.00 0.00 176.54 174.50 1sr2 h ILE 875 N 1.17 0.63 -0.94 2.60 1.08 -0.08 0.15 117.51 122.13 1sr2 h ILE 875 Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 1sr2 h ILE 875 Cb 0.13 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 1sr2 h ILE 875 CO -0.03 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 177.69 1sr2 h GLU 876 N -0.40 1.25 -0.37 2.37 5.08 -1.24 0.50 114.58 121.78 1sr2 h GLU 876 Ca -0.01 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1sr2 h GLU 876 Cb 0.35 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1sr2 h GLU 876 CO -0.01 0.85 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.62 1sr2 h LYS 877 N 1.28 0.65 -0.01 2.33 1.63 -1.06 -1.76 116.57 119.63 1sr2 h LYS 877 Ca 0.34 -0.21 -0.19 0.00 -0.85 0.00 0.00 60.65 59.75 1sr2 h LYS 877 Cb -0.11 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1sr2 h LYS 877 CO -0.07 0.76 -0.83 1.88 -3.45 0.00 0.00 179.45 177.74 1sr2 h TYR 878 N 0.46 0.25 -0.49 1.91 -1.99 -0.54 -0.72 116.97 115.86 1sr2 h TYR 878 Ca 0.10 -0.13 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 1sr2 h TYR 878 Cb 0.46 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1sr2 h TYR 878 CO 0.04 0.92 -0.15 0.82 -0.00 0.00 0.00 178.16 179.79 1sr2 h ILE 879 N 0.10 1.27 -0.03 -2.88 2.04 -0.88 0.18 117.51 117.31 1sr2 h ILE 879 Ca -0.03 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.42 1sr2 h ILE 879 Cb 1.43 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1sr2 h ILE 879 CO 0.12 0.45 -0.50 0.77 0.00 0.00 0.00 178.15 178.99 1sr2 h SER 880 N 0.84 0.08 0.01 1.72 4.64 -1.18 0.58 113.55 120.24 1sr2 h SER 880 Ca 0.12 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1sr2 h SER 880 Cb 0.70 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1sr2 h SER 880 CO 0.05 0.57 -0.52 0.44 -0.87 0.00 0.00 176.83 176.50 1sr2 h ASP 881 N 0.06 0.62 0.12 4.97 3.32 -0.78 0.20 116.42 124.93 1sr2 h ASP 881 Ca -0.00 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 1sr2 h ASP 881 Cb 0.91 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1sr2 h ASP 881 CO 0.07 1.02 -0.29 0.40 -1.72 0.00 0.00 179.24 178.72 1sr2 h ILE 882 N 0.44 1.26 -0.07 0.35 2.04 -0.30 -0.70 117.51 120.53 1sr2 h ILE 882 Ca 0.01 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 1sr2 h ILE 882 Cb 1.06 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1sr2 h ILE 882 CO 0.10 0.37 -0.31 -0.78 0.00 0.00 0.00 178.15 177.53 1sr2 h ASP 883 N 0.24 0.39 0.17 1.72 3.58 -0.41 -1.53 116.42 120.58 1sr2 h ASP 883 Ca 0.03 -0.65 -0.04 0.00 0.42 0.00 0.00 57.03 56.79 1sr2 h ASP 883 Cb 0.64 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1sr2 h ASP 883 CO 0.05 0.97 -0.19 0.77 -2.88 0.00 0.00 179.24 177.96 1sr2 h SER 884 N -0.17 0.04 0.82 2.28 4.64 -0.59 0.64 113.55 121.21 1sr2 h SER 884 Ca -0.02 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1sr2 h SER 884 Cb 0.96 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1sr2 h SER 884 CO 0.06 0.24 -0.39 0.22 -0.87 0.00 0.00 176.83 176.09 1sr2 h TYR 885 N 0.04 -1.02 -0.34 4.77 3.20 -0.94 -1.76 116.97 120.93 1sr2 h TYR 885 Ca 0.01 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1sr2 h TYR 885 Cb 0.37 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1sr2 h TYR 885 CO 0.00 -0.63 -0.16 -0.24 -1.64 0.00 0.00 178.16 175.49 1sr2 h VAL 886 N -1.12 1.25 -0.42 1.81 3.04 -0.88 -1.57 116.25 118.36 1sr2 h VAL 886 Ca -0.11 -1.16 0.06 0.00 -1.01 0.00 0.00 66.70 64.48 1sr2 h VAL 886 Cb 0.85 1.17 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 1sr2 h VAL 886 CO 0.18 0.38 0.11 0.50 -1.01 0.00 0.00 177.57 177.73 1sr2 h LYS 887 N 0.55 0.24 -0.04 4.17 3.64 0.33 0.61 116.57 126.07 1sr2 h LYS 887 Ca 0.09 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1sr2 h LYS 887 Cb 0.59 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1sr2 h LYS 887 CO 0.04 0.16 -0.54 0.77 -2.27 0.00 0.00 179.45 177.61 1sr2 h SER 888 N 0.25 0.14 0.15 4.20 0.02 -0.91 -3.28 113.55 114.12 1sr2 h SER 888 Ca 0.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1sr2 h SER 888 Cb 0.23 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1sr2 h SER 888 CO -0.25 0.65 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.95 1sr2 h LEU 889 N 0.10 -0.18 -1.70 5.07 3.38 -0.40 -3.52 115.31 118.06 1sr2 h LEU 889 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1sr2 h LEU 889 Cb 0.98 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1sr2 h LEU 889 CO 0.08 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.90