#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 -0.08 3.17 -0.06 -1.26 -4.35 117.38 114.80 1sr2 n GLN 776 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 1sr2 n GLN 776 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 1sr2 h GLU 777 N 0.00 0.82 -1.78 3.69 -0.00 -2.13 -3.23 114.58 111.95 1sr2 h GLU 777 Ca 0.00 -0.44 -0.59 0.00 -0.00 0.00 0.00 59.36 58.33 1sr2 h GLU 777 Cb 0.00 0.02 -0.42 0.00 -0.00 0.00 0.00 28.75 28.35 1sr2 h GLU 777 CO 0.00 1.07 -0.70 0.00 -0.00 0.00 0.00 179.01 179.38 1sr2 n ALA 778 N -2.53 4.93 -2.48 1.06 0.00 -1.26 -5.07 120.51 115.15 1sr2 n ALA 778 Ca -0.02 -4.46 -0.36 0.00 0.00 0.00 0.00 53.44 48.60 1sr2 n ALA 778 Cb 0.55 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sr2 s VAL 779 N -5.16 5.00 0.29 0.00 0.11 -1.22 -4.80 120.40 114.61 1sr2 s VAL 779 Ca 0.48 0.71 -0.20 0.00 -2.93 0.00 0.00 61.98 60.04 1sr2 s VAL 779 Cb 0.36 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1sr2 s VAL 779 CO -0.17 0.39 0.79 -1.48 -3.33 0.00 0.00 175.10 171.30 1sr2 s LEU 780 N -1.60 -0.15 0.33 2.54 0.05 -1.26 -4.94 118.68 113.65 1sr2 s LEU 780 Ca 0.31 -0.75 0.10 0.00 0.05 0.00 0.00 54.13 53.83 1sr2 s LEU 780 Cb -0.15 2.66 -0.06 0.00 -2.05 0.00 0.00 46.19 46.59 1sr2 s LEU 780 CO 0.17 -1.38 -0.09 -1.10 -0.55 0.00 0.00 176.35 173.40 1sr2 s GLN 781 N -3.26 1.85 -0.98 1.48 -1.52 -1.26 -5.06 119.66 110.91 1sr2 s GLN 781 Ca 0.13 -1.88 -0.22 0.00 -1.95 0.00 0.00 55.36 51.45 1sr2 s GLN 781 Cb -0.05 -1.76 0.08 0.00 -0.22 0.00 0.00 33.01 31.06 1sr2 s GLN 781 CO 0.08 0.17 1.33 -1.17 -0.25 0.00 0.00 175.29 175.45 1sr2 s LEU 782 N -3.61 4.04 0.00 2.90 2.96 -1.26 -4.66 118.68 119.04 1sr2 s LEU 782 Ca 0.32 -1.63 0.00 0.00 -0.22 0.00 0.00 54.13 52.61 1sr2 s LEU 782 Cb 0.01 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1sr2 s LEU 782 CO 0.17 -1.36 0.00 -0.38 -1.32 0.00 0.00 176.35 173.46 1sr2 n ILE 783 N 6.39 0.00 -0.40 6.68 5.41 -1.26 -1.61 119.36 134.58 1sr2 n ILE 783 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.04 1sr2 n ILE 783 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1sr2 n ILE 783 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1sr2 n GLU 784 N 0.00 0.00 -3.44 0.38 0.28 -1.26 -5.08 120.64 111.52 1sr2 n GLU 784 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1sr2 n GLU 784 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1sr2 s VAL 785 N 0.00 -0.37 0.00 3.84 -7.23 -0.63 -5.00 120.40 111.00 1sr2 s VAL 785 Ca 0.00 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1sr2 s VAL 785 Cb 0.00 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1sr2 s VAL 785 CO 0.00 -0.34 1.14 0.00 -0.31 0.00 0.00 175.10 175.60 1sr2 n GLN 786 N 5.32 0.76 0.00 4.82 0.00 -1.25 -4.43 117.38 122.60 1sr2 n GLN 786 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.96 1sr2 n GLN 786 Cb 0.48 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.60 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 1.12 0.00 -2.67 2.61 0.00 -1.26 -5.00 117.00 111.80 1sr2 n LEU 787 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 1sr2 n LEU 787 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.87 1sr2 n LEU 787 CO 0.00 0.00 0.65 0.00 0.00 0.00 0.00 177.39 178.04 1sr2 n ALA 788 N 0.00 -2.34 0.21 1.96 0.00 -1.26 -5.02 120.51 114.05 1sr2 n ALA 788 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 53.44 52.91 1sr2 n ALA 788 Cb 0.00 -2.09 0.47 0.00 0.00 0.00 0.00 19.45 17.84 1sr2 n ALA 788 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sr2 h GLN 789 N 1.90 0.00 -4.97 0.00 7.50 -1.94 -3.44 115.11 114.15 1sr2 h GLN 789 Ca -0.38 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.39 1sr2 h GLN 789 Cb 1.22 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.61 1sr2 h GLN 789 CO -0.07 0.27 -0.62 -1.21 -1.50 0.00 0.00 178.83 175.70 1sr2 s GLU 790 N -4.28 1.45 0.00 1.46 0.41 -1.26 -5.16 118.70 111.32 1sr2 s GLU 790 Ca -0.03 -1.79 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 1sr2 s GLU 790 Cb 0.14 -0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 1sr2 s GLU 790 CO 0.69 -0.25 0.00 0.39 -0.49 0.00 0.00 175.26 175.59 1sr2 n GLU 791 N -0.51 0.00 -2.88 1.61 -0.58 -1.26 -5.11 120.64 111.92 1sr2 n GLU 791 Ca -0.01 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1sr2 n GLU 791 Cb 0.66 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.49 1sr2 n GLU 791 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sr2 s VAL 792 N -1.94 4.82 -0.25 2.62 1.01 -1.26 -4.91 120.40 120.49 1sr2 s VAL 792 Ca 0.00 1.56 0.17 0.00 0.00 0.00 0.00 61.98 63.71 1sr2 s VAL 792 Cb 0.00 -4.13 0.48 0.00 0.00 0.00 0.00 36.38 32.73 1sr2 s VAL 792 CO 0.00 -0.10 1.15 0.35 0.00 0.00 0.00 175.10 176.50 1sr2 n THR 793 N 5.29 1.69 0.05 3.92 -2.24 -1.26 -4.84 114.28 116.89 1sr2 n THR 793 Ca 0.06 -3.27 0.00 0.00 -2.27 0.00 0.00 64.05 58.57 1sr2 n THR 793 Cb 0.47 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1sr2 n THR 793 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sr2 n GLU 794 N -0.59 0.00 -3.29 -0.78 0.00 -1.26 -5.09 120.64 109.64 1sr2 n GLU 794 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.28 1sr2 n GLU 794 Cb 0.88 -0.33 0.00 0.00 0.00 0.00 0.00 31.44 31.99 1sr2 n GLU 794 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1sr2 n SER 795 N -3.29 -6.82 0.25 4.31 7.64 -1.26 -4.88 113.62 109.56 1sr2 n SER 795 Ca 0.00 -0.31 0.09 0.00 1.01 0.00 0.00 58.87 59.66 1sr2 n SER 795 Cb 0.00 -4.06 0.63 0.00 -1.01 0.00 0.00 64.21 59.77 1sr2 n SER 795 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1sr2 h PRO 796 N 0.40 0.00 -1.93 1.43 0.11 -1.99 -3.21 132.00 126.81 1sr2 h PRO 796 Ca -0.22 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.39 1sr2 h PRO 796 Cb 1.14 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.86 1sr2 h PRO 796 CO 0.31 0.10 -1.13 1.47 -0.21 0.00 0.00 178.00 178.54 1sr2 n LEU 797 N -4.19 0.41 -2.74 2.35 -0.00 -1.26 -5.01 117.00 106.57 1sr2 n LEU 797 Ca -0.03 -4.81 -0.28 0.00 -0.00 0.00 0.00 56.01 50.89 1sr2 n LEU 797 Cb 0.18 0.69 -0.08 0.00 -0.00 0.00 0.00 43.42 44.21 1sr2 n LEU 797 CO 0.33 2.18 2.34 0.61 -0.00 0.00 0.00 177.39 182.86 1sr2 n GLY 798 N 0.81 3.96 0.00 1.47 0.00 -1.21 -4.66 105.19 105.56 1sr2 n GLY 798 Ca 0.23 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 2.50 0.92 0.03 -0.02 0.00 -1.26 -5.03 105.19 102.32 1sr2 n GLY 799 Ca 0.59 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.63 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sr2 n ASP 800 N 0.00 1.53 -0.05 1.61 2.03 -1.26 -4.55 116.55 115.86 1sr2 n ASP 800 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1sr2 n ASP 800 Cb 0.00 1.36 -0.06 0.00 -0.72 0.00 0.00 41.12 41.71 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1sr2 h GLU 801 N 0.00 -0.41 -0.14 -0.67 4.39 -1.96 0.32 114.58 116.11 1sr2 h GLU 801 Ca -0.15 0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 1sr2 h GLU 801 Cb 1.15 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1sr2 h GLU 801 CO 0.01 -0.28 -0.48 -0.97 -1.16 0.00 0.00 179.01 176.13 1sr2 h ASN 802 N -0.43 0.66 -0.35 1.42 -1.24 -1.86 -2.03 115.58 111.75 1sr2 h ASN 802 Ca 0.10 -0.61 0.03 0.00 0.71 0.00 0.00 56.30 56.53 1sr2 h ASN 802 Cb 0.61 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1sr2 h ASN 802 CO -0.47 1.16 0.17 0.00 -1.29 0.00 0.00 177.43 177.00 1sr2 h ALA 803 N 0.52 0.43 -0.13 1.57 0.00 -1.70 0.93 119.26 120.88 1sr2 h ALA 803 Ca -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 803 Cb 1.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1sr2 h ALA 803 CO 0.10 -0.20 -0.04 0.37 0.00 0.00 0.00 179.25 179.48 1sr2 h GLN 804 N 0.35 0.26 -0.57 0.00 5.75 -0.41 -1.00 115.11 119.49 1sr2 h GLN 804 Ca 0.15 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1sr2 h GLN 804 Cb 0.07 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1sr2 h GLN 804 CO -0.11 0.56 0.26 1.25 -2.65 0.00 0.00 178.83 178.14 1sr2 h LEU 805 N -0.06 0.73 -0.25 -2.39 5.85 -1.16 -0.27 115.31 117.77 1sr2 h LEU 805 Ca 0.03 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.50 1sr2 h LEU 805 Cb 0.47 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1sr2 h LEU 805 CO 0.01 0.64 -0.53 -0.74 -0.34 0.00 0.00 178.44 177.49 1sr2 h HIS 806 N 0.81 1.02 -0.32 1.25 2.76 -0.77 -2.95 115.15 116.95 1sr2 h HIS 806 Ca 0.20 -0.37 -0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1sr2 h HIS 806 Cb 0.11 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1sr2 h HIS 806 CO 0.01 1.19 0.08 0.00 -1.30 0.00 0.00 177.93 177.91 1sr2 h ALA 807 N 0.65 0.42 0.00 5.26 0.00 -0.49 -2.49 119.26 122.60 1sr2 h ALA 807 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sr2 h ALA 807 Cb 1.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1sr2 h ALA 807 CO 0.12 0.08 0.00 0.77 0.00 0.00 0.00 179.25 180.21 1sr2 h SER 808 N 0.35 0.00 0.00 0.00 0.02 -1.14 -3.46 113.55 109.32 1sr2 h SER 808 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1sr2 h SER 808 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1sr2 h SER 808 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1sr2 n GLY 809 N -0.16 0.72 1.94 -3.77 0.00 -0.94 -4.93 105.19 98.06 1sr2 n GLY 809 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1sr2 n GLY 809 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sr2 n TYR 810 N -2.00 1.79 0.22 1.61 0.18 -1.22 -4.36 117.16 113.38 1sr2 n TYR 810 Ca 0.00 -2.08 0.08 0.00 1.88 0.00 0.00 57.90 57.78 1sr2 n TYR 810 Cb 0.00 -1.01 0.51 0.00 -0.38 0.00 0.00 39.34 38.47 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1sr2 h TYR 811 N 1.50 0.00 -0.19 -3.48 3.20 -1.88 -3.02 116.97 113.09 1sr2 h TYR 811 Ca 0.34 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.24 1sr2 h TYR 811 Cb 0.96 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1sr2 h TYR 811 CO 0.90 0.25 0.02 0.00 -1.64 0.00 0.00 178.16 177.69 1sr2 h ALA 812 N 1.75 0.18 -0.25 1.82 0.00 -1.94 -2.21 119.26 118.60 1sr2 h ALA 812 Ca -0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1sr2 h ALA 812 Cb 0.55 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sr2 h ALA 812 CO 0.03 -0.41 0.17 -0.07 0.00 0.00 0.00 179.25 178.97 1sr2 h LEU 813 N 0.09 0.23 -1.57 0.00 3.38 -1.89 0.35 115.31 115.89 1sr2 h LEU 813 Ca 0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1sr2 h LEU 813 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sr2 h LEU 813 CO -0.13 0.16 -0.13 0.15 0.09 0.00 0.00 178.44 178.58 1sr2 h PHE 814 N 0.26 0.11 0.00 1.13 3.57 -1.46 -0.19 116.94 120.37 1sr2 h PHE 814 Ca 0.10 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1sr2 h PHE 814 Cb 0.09 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1sr2 h PHE 814 CO -0.00 0.24 -1.69 1.33 -2.23 0.00 0.00 178.31 175.96 1sr2 n VAL 815 N -4.33 0.41 -0.03 1.41 0.24 -0.77 -4.06 118.33 111.21 1sr2 n VAL 815 Ca -0.02 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 1sr2 n VAL 815 Cb 0.23 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1sr2 h ASP 816 N 0.00 -0.04 0.00 -1.34 1.82 -0.25 -3.40 116.42 113.20 1sr2 h ASP 816 Ca -0.16 -0.65 -0.41 0.00 -0.39 0.00 0.00 57.03 55.42 1sr2 h ASP 816 Cb 1.17 0.01 -0.06 0.00 0.68 0.00 0.00 39.33 41.12 1sr2 h ASP 816 CO 0.01 0.70 -2.40 0.41 -1.61 0.00 0.00 179.24 176.35 1sr2 n THR 817 N -4.75 1.38 0.14 2.25 -1.04 -0.16 -4.39 114.28 107.71 1sr2 n THR 817 Ca -0.08 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.38 1sr2 n THR 817 Cb 0.34 -1.68 -0.07 0.00 -1.82 0.00 0.00 70.33 67.09 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sr2 h VAL 818 N -0.62 0.22 -0.34 12.58 2.07 -1.50 0.31 116.25 128.97 1sr2 h VAL 818 Ca -0.61 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1sr2 h VAL 818 Cb 1.65 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1sr2 h VAL 818 CO -0.29 0.00 0.13 -0.65 0.02 0.00 0.00 177.57 176.78 1sr2 h PRO 819 N -0.65 0.47 -0.33 1.57 0.11 -1.78 -0.14 132.00 131.26 1sr2 h PRO 819 Ca 0.01 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.91 1sr2 h PRO 819 Cb 0.65 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1sr2 h PRO 819 CO -0.19 0.40 -0.43 0.22 -0.21 0.00 0.00 178.00 177.79 1sr2 h ASP 820 N 0.47 0.90 -0.29 -2.05 3.58 -1.57 -0.89 116.42 116.58 1sr2 h ASP 820 Ca 0.12 -0.43 -0.12 0.00 0.42 0.00 0.00 57.03 57.03 1sr2 h ASP 820 Cb 0.10 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1sr2 h ASP 820 CO -0.01 1.20 -0.23 0.44 -2.88 0.00 0.00 179.24 177.76 1sr2 h ASP 821 N 0.67 0.79 -0.55 2.28 3.32 0.32 0.52 116.42 123.76 1sr2 h ASP 821 Ca 0.05 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1sr2 h ASP 821 Cb 1.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1sr2 h ASP 821 CO 0.10 0.99 0.24 0.58 -1.72 0.00 0.00 179.24 179.43 1sr2 h VAL 822 N 0.67 1.21 -0.58 -1.35 2.07 -0.92 0.20 116.25 117.56 1sr2 h VAL 822 Ca 0.09 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1sr2 h VAL 822 Cb 0.74 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1sr2 h VAL 822 CO 0.06 0.25 0.09 0.50 0.02 0.00 0.00 177.57 178.49 1sr2 h LYS 823 N 0.75 0.93 -0.74 1.57 3.64 -0.78 -1.76 116.57 120.17 1sr2 h LYS 823 Ca 0.19 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1sr2 h LYS 823 Cb 0.16 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1sr2 h LYS 823 CO -0.02 0.86 0.46 -0.09 -2.27 0.00 0.00 179.45 178.39 1sr2 h ARG 824 N 0.88 1.00 -0.56 1.90 9.65 0.60 0.15 114.38 128.00 1sr2 h ARG 824 Ca 0.18 -0.09 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1sr2 h ARG 824 Cb 0.39 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 28.70 1sr2 h ARG 824 CO 0.01 0.70 0.25 -0.07 2.80 0.00 0.00 179.97 183.66 1sr2 h LEU 825 N 1.01 0.31 -1.29 3.80 3.38 -0.15 0.28 115.31 122.66 1sr2 h LEU 825 Ca 0.27 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1sr2 h LEU 825 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1sr2 h LEU 825 CO -0.05 0.20 0.38 1.88 0.09 0.00 0.00 178.44 180.94 1sr2 h TYR 826 N 0.46 0.84 -0.29 1.13 0.05 -0.45 0.44 116.97 119.15 1sr2 h TYR 826 Ca 0.26 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.91 1sr2 h TYR 826 Cb 0.24 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 1sr2 h TYR 826 CO -0.13 0.56 -0.34 1.15 -1.05 0.00 0.00 178.16 178.36 1sr2 h THR 827 N 0.88 1.30 0.00 -2.88 2.02 0.80 -0.70 112.91 114.32 1sr2 h THR 827 Ca 0.23 -1.51 -0.15 0.00 0.77 0.00 0.00 66.41 65.75 1sr2 h THR 827 Cb -0.02 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1sr2 h THR 827 CO -0.04 0.49 -0.71 -0.33 0.37 0.00 0.00 175.52 175.29 1sr2 h GLU 828 N 0.50 0.00 0.00 6.66 4.39 -0.84 -2.78 114.58 122.51 1sr2 h GLU 828 Ca 0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1sr2 h GLU 828 Cb 0.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1sr2 h GLU 828 CO 0.08 0.71 -0.46 0.00 -1.16 0.00 0.00 179.01 178.18 1sr2 h ALA 829 N 1.29 1.20 -0.32 3.43 0.00 -0.79 0.63 119.26 124.70 1sr2 h ALA 829 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1sr2 h ALA 829 Cb 1.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1sr2 h ALA 829 CO 0.09 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.62 1sr2 h ALA 830 N 1.54 0.87 0.00 0.00 0.00 -0.86 -2.78 119.26 118.03 1sr2 h ALA 830 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sr2 h ALA 830 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sr2 h ALA 830 CO 0.06 0.63 -0.35 0.25 0.00 0.00 0.00 179.25 179.84 1sr2 n THR 831 N -4.08 0.08 -2.24 0.00 -2.24 -1.08 -4.93 114.28 99.80 1sr2 n THR 831 Ca -0.01 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1sr2 n THR 831 Cb 0.47 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sr2 n SER 832 N -1.63 -4.63 -4.41 3.42 7.64 0.06 -4.91 113.62 109.15 1sr2 n SER 832 Ca 0.06 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1sr2 n SER 832 Cb 0.36 -3.75 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 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 -0.91 5.00 0.20 6.43 -0.08 -0.29 -4.79 116.55 122.10 1sr2 n ASP 833 Ca -0.18 -2.95 0.15 0.00 -1.51 0.00 0.00 54.79 50.29 1sr2 n ASP 833 Cb 0.63 -1.64 0.76 0.00 2.34 0.00 0.00 41.12 43.21 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 7.11 0.00 -0.67 -0.67 0.04 -1.91 0.38 116.94 121.22 1sr2 h PHE 834 Ca 0.40 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.10 1sr2 h PHE 834 Cb 0.83 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 1sr2 h PHE 834 CO 1.28 0.00 0.16 0.00 -0.60 0.00 0.00 178.31 179.14 1sr2 h ALA 835 N 1.87 1.01 0.00 2.45 0.00 -1.97 0.71 119.26 123.33 1sr2 h ALA 835 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1sr2 h ALA 835 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1sr2 h ALA 835 CO -0.00 0.64 -0.89 0.00 0.00 0.00 0.00 179.25 179.00 1sr2 h ALA 836 N 1.15 0.46 -0.34 0.00 0.00 -1.18 -1.95 119.26 117.41 1sr2 h ALA 836 Ca 0.21 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1sr2 h ALA 836 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sr2 h ALA 836 CO 0.00 1.12 0.21 -0.07 0.00 0.00 0.00 179.25 180.51 1sr2 h LEU 837 N 0.00 0.40 -0.78 0.00 -0.00 -0.02 0.37 115.31 115.28 1sr2 h LEU 837 Ca -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 1sr2 h LEU 837 Cb 1.64 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 1sr2 h LEU 837 CO 0.12 0.31 0.31 0.00 -0.00 0.00 0.00 178.44 179.17 1sr2 h ALA 838 N 1.11 1.01 -0.23 1.53 0.00 -0.80 0.25 119.26 122.12 1sr2 h ALA 838 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sr2 h ALA 838 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1sr2 h ALA 838 CO -0.02 0.63 0.14 1.96 0.00 0.00 0.00 179.25 181.96 1sr2 h GLN 839 N 1.13 0.31 -0.36 0.00 1.08 -0.90 -0.11 115.11 116.25 1sr2 h GLN 839 Ca 0.26 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.29 1sr2 h GLN 839 Cb 0.22 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1sr2 h GLN 839 CO -0.02 0.24 -0.33 1.15 -0.95 0.00 0.00 178.83 178.92 1sr2 h THR 840 N 0.29 1.28 -0.68 -0.54 2.02 0.00 0.23 112.91 115.51 1sr2 h THR 840 Ca 0.08 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 1sr2 h THR 840 Cb 0.01 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1sr2 h THR 840 CO -0.02 0.49 0.37 0.00 0.37 0.00 0.00 175.52 176.74 1sr2 h ALA 841 N 0.95 1.38 -0.25 6.16 0.00 -0.38 0.24 119.26 127.36 1sr2 h ALA 841 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1sr2 h ALA 841 Cb 0.88 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sr2 h ALA 841 CO 0.08 0.51 -0.50 1.25 0.00 0.00 0.00 179.25 180.59 1sr2 h HIS 842 N 0.95 0.85 -0.17 0.00 6.17 -0.56 0.43 115.15 122.82 1sr2 h HIS 842 Ca 0.24 -0.29 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 1sr2 h HIS 842 Cb 0.02 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 1sr2 h HIS 842 CO 0.01 1.05 0.08 0.00 0.71 0.00 0.00 177.93 179.78 1sr2 h ARG 843 N 0.54 0.24 -0.54 5.26 3.08 0.34 0.21 114.38 123.51 1sr2 h ARG 843 Ca 0.02 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1sr2 h ARG 843 Cb 1.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1sr2 h ARG 843 CO 0.10 0.27 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.19 1sr2 h LEU 844 N 0.15 0.95 -0.51 3.04 3.38 -0.54 0.25 115.31 122.03 1sr2 h LEU 844 Ca 0.06 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1sr2 h LEU 844 Cb 0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1sr2 h LEU 844 CO -0.01 1.03 0.24 0.50 0.09 0.00 0.00 178.44 180.29 1sr2 h LYS 845 N 0.84 0.46 -0.12 1.13 3.64 -0.73 0.51 116.57 122.30 1sr2 h LYS 845 Ca 0.15 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1sr2 h LYS 845 Cb 0.55 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sr2 h LYS 845 CO 0.03 0.30 -0.00 0.78 -2.27 0.00 0.00 179.45 178.29 1sr2 h GLY 846 N 0.47 0.22 1.39 5.01 0.00 -0.16 -0.32 103.07 109.68 1sr2 h GLY 846 Ca 0.23 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1sr2 h GLY 846 CO -0.18 0.15 -0.28 -0.39 0.00 0.00 0.00 176.54 175.84 1sr2 h VAL 847 N -0.07 1.28 -0.33 4.60 -1.51 -0.80 0.22 116.25 119.64 1sr2 h VAL 847 Ca 0.03 -1.40 -0.15 0.00 -1.23 0.00 0.00 66.70 63.95 1sr2 h VAL 847 Cb 0.36 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1sr2 h VAL 847 CO 0.01 0.46 -0.40 -0.26 -1.23 0.00 0.00 177.57 176.15 1sr2 h PHE 848 N 0.59 0.95 -0.17 5.19 0.04 -0.89 0.18 116.94 122.83 1sr2 h PHE 848 Ca 0.07 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.49 1sr2 h PHE 848 Cb 0.78 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1sr2 h PHE 848 CO 0.04 1.06 -0.22 0.00 -0.60 0.00 0.00 178.31 178.59 1sr2 h ALA 849 N 0.90 1.32 -0.26 2.45 0.00 -0.76 0.32 119.26 123.24 1sr2 h ALA 849 Ca 0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1sr2 h ALA 849 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sr2 h ALA 849 CO 0.09 0.46 -0.48 1.98 0.00 0.00 0.00 179.25 181.30 1sr2 h MET 850 N 0.27 0.69 -0.00 0.00 1.85 -0.08 -2.40 114.93 115.26 1sr2 h MET 850 Ca 0.05 -0.40 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 1sr2 h MET 850 Cb 0.54 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.60 1sr2 h MET 850 CO 0.04 1.01 -0.01 1.28 -0.40 0.00 0.00 176.91 178.83 1sr2 n LEU 851 N -4.00 0.01 -1.27 3.39 4.77 0.60 -4.90 117.00 115.60 1sr2 n LEU 851 Ca -0.03 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1sr2 n LEU 851 Cb 0.57 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1sr2 n LEU 851 CO 0.47 0.00 -0.15 0.59 -1.33 0.00 0.00 177.39 176.98 1sr2 n ASN 852 N -1.42 -4.09 -4.49 -1.43 3.02 0.85 -4.84 115.26 102.87 1sr2 n ASN 852 Ca 0.10 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 1sr2 n ASN 852 Cb 0.31 -3.11 -0.03 0.00 -0.61 0.00 0.00 39.78 36.34 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 -3.33 4.29 0.10 3.41 1.43 0.39 -4.92 118.68 120.05 1sr2 s LEU 853 Ca 0.00 -1.49 -0.33 0.00 -1.03 0.00 0.00 54.13 51.28 1sr2 s LEU 853 Cb 0.00 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.62 1sr2 s LEU 853 CO 0.00 -1.35 1.58 0.58 0.23 0.00 0.00 176.35 177.40 1sr2 h VAL 854 N 6.15 0.12 -0.80 -1.59 2.07 -1.92 0.19 116.25 120.47 1sr2 h VAL 854 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1sr2 h VAL 854 Cb 1.03 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1sr2 h VAL 854 CO 1.23 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 178.65 1sr2 h PRO 855 N -0.80 0.85 -0.43 1.57 0.11 -1.98 0.24 132.00 131.56 1sr2 h PRO 855 Ca -0.02 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1sr2 h PRO 855 Cb 0.75 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1sr2 h PRO 855 CO -0.15 0.56 0.01 0.78 -0.21 0.00 0.00 178.00 178.99 1sr2 h GLY 856 N 0.87 0.80 1.18 -0.55 0.00 -1.89 -0.61 103.07 102.88 1sr2 h GLY 856 Ca 0.35 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1sr2 h GLY 856 CO -0.18 0.53 -0.02 0.07 0.00 0.00 0.00 176.54 176.94 1sr2 h LYS 857 N 0.58 0.98 -0.59 4.80 2.10 0.01 -1.79 116.57 122.67 1sr2 h LYS 857 Ca 0.12 -0.31 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 1sr2 h LYS 857 Cb 0.47 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 1sr2 h LYS 857 CO 0.02 0.97 0.04 0.37 -2.00 0.00 0.00 179.45 178.85 1sr2 h GLN 858 N 0.89 0.99 -0.28 0.07 4.15 -0.42 -0.52 115.11 119.99 1sr2 h GLN 858 Ca 0.16 -0.28 0.01 0.00 0.77 0.00 0.00 58.65 59.31 1sr2 h GLN 858 Cb 0.55 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1sr2 h GLN 858 CO 0.03 0.95 0.16 -0.07 -1.93 0.00 0.00 178.83 177.97 1sr2 h LEU 859 N 0.92 0.26 -1.04 -2.39 3.38 -0.77 -1.53 115.31 114.15 1sr2 h LEU 859 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1sr2 h LEU 859 Cb 0.48 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1sr2 h LEU 859 CO 0.02 0.19 0.04 0.00 0.09 0.00 0.00 178.44 178.78 1sr2 h GLU 861 N 0.70 0.01 -0.25 0.00 4.39 -0.74 0.13 114.58 118.81 1sr2 h GLU 861 Ca 0.15 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1sr2 h GLU 861 Cb 0.37 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1sr2 h GLU 861 CO 0.01 0.01 -0.32 1.15 -1.16 0.00 0.00 179.01 178.69 1sr2 h THR 862 N 0.01 1.28 -0.49 1.13 2.02 -0.94 -1.63 112.91 114.30 1sr2 h THR 862 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1sr2 h THR 862 Cb -0.00 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1sr2 h THR 862 CO -0.00 0.45 0.32 0.25 0.37 0.00 0.00 175.52 176.91 1sr2 h LEU 863 N 0.45 0.56 -1.23 2.58 6.46 -0.15 -0.18 115.31 123.81 1sr2 h LEU 863 Ca 0.05 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1sr2 h LEU 863 Cb 0.78 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1sr2 h LEU 863 CO 0.06 0.41 0.41 -0.08 -0.62 0.00 0.00 178.44 178.63 1sr2 h GLU 864 N 0.66 0.94 -0.30 1.25 4.81 -0.42 0.15 114.58 121.66 1sr2 h GLU 864 Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1sr2 h GLU 864 Cb -0.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1sr2 h GLU 864 CO -0.04 0.66 -0.00 1.25 -0.73 0.00 0.00 179.01 180.15 1sr2 h HIS 865 N 0.96 0.47 -0.03 0.92 2.76 -0.59 0.17 115.15 119.82 1sr2 h HIS 865 Ca 0.25 -0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.19 1sr2 h HIS 865 Cb -0.03 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1sr2 h HIS 865 CO 0.00 0.48 -0.79 -0.07 -1.30 0.00 0.00 177.93 176.25 1sr2 h LEU 866 N 0.45 0.31 -0.14 0.26 3.38 0.77 -0.60 115.31 119.75 1sr2 h LEU 866 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1sr2 h LEU 866 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sr2 h LEU 866 CO 0.01 0.98 -0.02 0.40 0.09 0.00 0.00 178.44 179.90 1sr2 h ILE 867 N 0.16 1.27 -0.41 1.22 1.08 -0.33 0.65 117.51 121.16 1sr2 h ILE 867 Ca -0.03 -0.91 -0.03 0.00 -0.39 0.00 0.00 64.86 63.50 1sr2 h ILE 867 Cb 1.37 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 1sr2 h ILE 867 CO 0.12 0.26 0.14 0.08 -0.69 0.00 0.00 178.15 178.07 1sr2 h ARG 868 N -0.03 0.58 -0.01 2.37 0.11 -0.63 -1.43 114.38 115.34 1sr2 h ARG 868 Ca 0.04 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1sr2 h ARG 868 Cb 0.41 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1sr2 h ARG 868 CO 0.01 0.50 -0.12 -1.91 0.10 0.00 0.00 179.97 178.55 1sr2 n GLU 869 N -4.36 1.15 -3.71 0.08 4.07 -0.24 -4.95 120.64 112.68 1sr2 n GLU 869 Ca 0.03 -0.62 -0.22 0.00 -0.06 0.00 0.00 57.16 56.29 1sr2 n GLU 869 Cb 0.16 -1.49 0.03 0.00 -0.06 0.00 0.00 31.44 30.09 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1sr2 n LYS 870 N -0.39 -5.05 -3.51 5.31 4.01 0.05 -4.94 118.16 113.64 1sr2 n LYS 870 Ca 0.16 0.63 -0.42 0.00 -0.51 0.00 0.00 58.31 58.16 1sr2 n LYS 870 Cb 0.33 -5.23 -0.07 0.00 -0.51 0.00 0.00 35.03 29.55 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1sr2 s ASP 871 N -4.26 5.91 0.11 4.39 2.15 -0.20 -4.98 116.67 119.79 1sr2 s ASP 871 Ca 0.07 -2.25 -0.31 0.00 0.43 0.00 0.00 52.55 50.49 1sr2 s ASP 871 Cb -0.03 -2.05 -0.10 0.00 -0.30 0.00 0.00 42.92 40.43 1sr2 s ASP 871 CO 0.81 -0.63 1.60 0.58 -0.17 0.00 0.00 175.17 177.36 1sr2 h VAL 872 N 5.65 0.21 -0.64 1.11 2.07 -1.92 0.77 116.25 123.50 1sr2 h VAL 872 Ca -0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1sr2 h VAL 872 Cb 1.05 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1sr2 h VAL 872 CO 0.83 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 178.04 1sr2 h PRO 873 N -0.66 0.46 -0.57 1.57 0.11 -1.99 -1.96 132.00 128.96 1sr2 h PRO 873 Ca 0.01 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 1sr2 h PRO 873 Cb 0.66 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1sr2 h PRO 873 CO -0.19 0.31 0.07 0.78 -0.21 0.00 0.00 178.00 178.75 1sr2 h GLY 874 N 0.48 1.05 0.63 -0.55 0.00 -1.89 -1.31 103.07 101.47 1sr2 h GLY 874 Ca 0.32 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1sr2 h GLY 874 CO -0.28 0.67 -0.47 -2.22 0.00 0.00 0.00 176.54 174.23 1sr2 h ILE 875 N 0.86 0.07 -0.27 2.60 2.04 -0.14 -0.72 117.51 121.96 1sr2 h ILE 875 Ca 0.17 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1sr2 h ILE 875 Cb 0.46 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1sr2 h ILE 875 CO 0.02 0.00 -0.20 1.05 0.00 0.00 0.00 178.15 179.02 1sr2 h GLU 876 N -1.01 0.48 -0.88 2.37 4.11 -1.41 -1.17 114.58 117.07 1sr2 h GLU 876 Ca -0.07 -0.16 0.02 0.00 0.07 0.00 0.00 59.36 59.22 1sr2 h GLU 876 Cb 0.86 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1sr2 h GLU 876 CO -0.01 0.66 0.58 0.87 0.07 0.00 0.00 179.01 181.17 1sr2 h LYS 877 N 0.43 1.12 -0.03 1.06 1.79 -1.04 -0.37 116.57 119.53 1sr2 h LYS 877 Ca 0.07 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 1sr2 h LYS 877 Cb 0.59 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1sr2 h LYS 877 CO 0.04 0.74 -0.73 1.88 -1.08 0.00 0.00 179.45 180.30 1sr2 h TYR 878 N 1.16 0.25 -0.79 -1.35 -1.99 -0.53 -1.43 116.97 112.28 1sr2 h TYR 878 Ca 0.34 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1sr2 h TYR 878 Cb -0.08 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.58 1sr2 h TYR 878 CO -0.01 0.85 0.47 0.82 -0.00 0.00 0.00 178.16 180.29 1sr2 h ILE 879 N 0.12 1.22 -0.50 -2.88 2.04 -0.60 0.10 117.51 117.01 1sr2 h ILE 879 Ca -0.02 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1sr2 h ILE 879 Cb 1.29 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1sr2 h ILE 879 CO 0.11 0.23 0.15 0.28 0.00 0.00 0.00 178.15 178.92 1sr2 h SER 880 N 1.08 0.69 -0.57 1.72 0.02 -0.80 0.13 113.55 115.83 1sr2 h SER 880 Ca 0.28 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1sr2 h SER 880 Cb -0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1sr2 h SER 880 CO -0.05 0.67 -0.07 0.44 -1.14 0.00 0.00 176.83 176.68 1sr2 h ASP 881 N 0.73 1.05 0.08 3.07 3.32 -0.36 0.34 116.42 124.65 1sr2 h ASP 881 Ca 0.17 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1sr2 h ASP 881 Cb 0.24 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1sr2 h ASP 881 CO -0.01 1.14 -0.36 0.40 -1.72 0.00 0.00 179.24 178.69 1sr2 h ILE 882 N 0.95 1.29 -0.16 0.35 2.04 -0.48 -0.72 117.51 120.78 1sr2 h ILE 882 Ca 0.15 -1.45 -0.17 0.00 1.00 0.00 0.00 64.86 64.39 1sr2 h ILE 882 Cb 0.64 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1sr2 h ILE 882 CO 0.04 0.45 -0.55 -0.78 0.00 0.00 0.00 178.15 177.31 1sr2 h ASP 883 N 0.33 0.77 0.02 1.72 1.82 -0.28 -0.58 116.42 120.23 1sr2 h ASP 883 Ca 0.04 -0.60 -0.08 0.00 -0.39 0.00 0.00 57.03 56.00 1sr2 h ASP 883 Cb 0.79 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1sr2 h ASP 883 CO 0.06 1.24 -0.23 0.77 -1.61 0.00 0.00 179.24 179.47 1sr2 h SER 884 N 0.34 0.34 0.74 2.28 4.64 -0.32 0.67 113.55 122.25 1sr2 h SER 884 Ca -0.02 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1sr2 h SER 884 Cb 1.18 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1sr2 h SER 884 CO 0.12 0.58 -0.36 0.22 -0.87 0.00 0.00 176.83 176.52 1sr2 h TYR 885 N 0.31 -0.93 -0.08 4.77 3.20 -0.78 -0.02 116.97 123.45 1sr2 h TYR 885 Ca 0.05 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1sr2 h TYR 885 Cb 0.58 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1sr2 h TYR 885 CO 0.01 -0.56 -0.30 0.28 -1.64 0.00 0.00 178.16 175.96 1sr2 h VAL 886 N -1.10 1.25 0.00 1.81 2.07 -1.06 -0.78 116.25 118.44 1sr2 h VAL 886 Ca -0.10 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1sr2 h VAL 886 Cb 0.78 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1sr2 h VAL 886 CO 0.17 0.35 -0.43 0.11 0.02 0.00 0.00 177.57 177.78 1sr2 h LYS 887 N 0.13 0.00 0.00 1.57 1.57 -0.77 0.72 116.57 119.79 1sr2 h LYS 887 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1sr2 h LYS 887 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1sr2 h LYS 887 CO 0.04 0.43 -0.67 0.77 -0.57 0.00 0.00 179.45 179.46 1sr2 h SER 888 N 0.00 0.00 0.00 0.86 0.02 0.41 -3.34 113.55 111.51 1sr2 h SER 888 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sr2 h SER 888 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1sr2 h SER 888 CO 0.06 0.67 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.33 1sr2 h LEU 889 N 0.00 0.00 -1.72 5.07 3.38 -0.93 -3.43 115.31 117.68 1sr2 h LEU 889 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 889 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1sr2 h LEU 889 CO 0.09 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.18