#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 0.20 -0.01 2.12 3.00 -1.26 -2.38 117.38 119.05 1sr2 n GLN 776 Ca 0.00 0.27 -0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1sr2 n GLN 776 Cb 0.00 -1.78 -0.00 0.00 0.00 0.00 0.00 30.24 28.46 1sr2 n GLN 776 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1sr2 h GLU 777 N 0.00 0.00 -2.23 -1.09 3.07 -2.04 -3.37 114.58 108.92 1sr2 h GLU 777 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1sr2 h GLU 777 Cb 0.55 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.32 1sr2 h GLU 777 CO 0.00 0.00 1.04 0.00 -1.40 0.00 0.00 179.01 178.65 1sr2 n ALA 778 N -2.25 6.62 -2.24 3.43 0.00 -1.25 -4.95 120.51 119.87 1sr2 n ALA 778 Ca -0.00 -3.17 -0.29 0.00 0.00 0.00 0.00 53.44 49.97 1sr2 n ALA 778 Cb 0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 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 -1.17 4.84 0.14 0.00 0.11 -1.00 -4.90 120.40 118.41 1sr2 s VAL 779 Ca 0.60 0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 59.93 1sr2 s VAL 779 Cb 0.31 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1sr2 s VAL 779 CO -0.15 -0.57 1.68 -0.07 -3.33 0.00 0.00 175.10 172.67 1sr2 h LEU 780 N 1.09 -0.31 0.00 2.54 4.07 -1.92 -3.46 115.31 117.32 1sr2 h LEU 780 Ca -0.47 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1sr2 h LEU 780 Cb 1.19 0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1sr2 h LEU 780 CO 0.64 -0.11 0.00 1.67 -1.08 0.00 0.00 178.44 179.55 1sr2 n GLN 781 N -5.26 0.00 0.00 1.13 7.27 -1.26 -5.08 117.38 114.18 1sr2 n GLN 781 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1sr2 n GLN 781 Cb 0.18 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.83 1sr2 n GLN 781 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sr2 n LEU 782 N 0.00 0.00 0.00 1.69 7.94 -1.26 -0.84 117.00 124.52 1sr2 n LEU 782 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sr2 n LEU 782 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1sr2 n LEU 782 CO 0.00 0.00 0.04 -0.38 -1.11 0.00 0.00 177.39 175.94 1sr2 n ILE 783 N 0.00 0.00 0.00 1.96 2.08 -1.26 -5.01 119.36 117.13 1sr2 n ILE 783 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1sr2 n ILE 783 Cb 0.00 1.64 0.00 0.00 -0.75 0.00 0.00 39.64 40.53 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 -0.06 0.38 -0.58 -0.02 -4.67 120.64 115.68 1sr2 n GLU 784 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1sr2 n GLU 784 Cb 0.29 -2.05 -0.01 0.00 -0.57 0.00 0.00 31.44 29.10 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1sr2 n VAL 785 N -1.61 1.16 -0.79 2.62 0.24 -1.26 -4.95 118.33 113.74 1sr2 n VAL 785 Ca 0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1sr2 n VAL 785 Cb 0.00 -2.22 0.00 0.00 -1.47 0.00 0.00 33.84 30.15 1sr2 n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr2 n GLN 786 N -4.15 -0.58 0.00 7.34 3.00 -1.26 -3.91 117.38 117.82 1sr2 n GLN 786 Ca -0.07 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1sr2 n GLN 786 Cb 0.25 -4.14 0.00 0.00 0.00 0.00 0.00 30.24 26.35 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 0.00 0.00 0.25 1.08 -0.00 -1.26 -4.92 117.00 112.14 1sr2 n LEU 787 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 1sr2 n LEU 787 Cb 0.15 0.23 0.78 0.00 -0.00 0.00 0.00 43.42 44.58 1sr2 n LEU 787 CO 0.00 -0.23 0.99 0.00 -0.00 0.00 0.00 177.39 178.16 1sr2 h ALA 788 N 0.00 1.00 -3.21 1.96 0.00 -1.94 -3.42 119.26 113.65 1sr2 h ALA 788 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1sr2 h ALA 788 Cb 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.53 1sr2 h ALA 788 CO 0.00 0.00 -0.47 -0.65 0.00 0.00 0.00 179.25 178.13 1sr2 s GLN 789 N -3.71 0.25 1.22 0.00 1.11 -1.26 -5.11 119.66 112.16 1sr2 s GLN 789 Ca -0.00 0.26 0.00 0.00 0.01 0.00 0.00 55.36 55.62 1sr2 s GLN 789 Cb 0.10 0.12 0.00 0.00 -1.01 0.00 0.00 33.01 32.22 1sr2 s GLN 789 CO 0.42 -0.03 0.00 -1.91 0.01 0.00 0.00 175.29 173.78 1sr2 n GLU 790 N 2.90 -1.02 -2.01 2.91 4.07 -1.26 -4.16 120.64 122.07 1sr2 n GLU 790 Ca -0.13 0.67 -0.17 0.00 -0.06 0.00 0.00 57.16 57.47 1sr2 n GLU 790 Cb 0.58 -1.25 -0.04 0.00 -0.06 0.00 0.00 31.44 30.68 1sr2 n GLU 790 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1sr2 n GLU 791 N -2.56 -1.68 0.00 5.31 4.07 -1.26 -4.55 120.64 119.98 1sr2 n GLU 791 Ca 0.00 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.02 1sr2 n GLU 791 Cb 0.23 -5.41 0.00 0.00 -0.06 0.00 0.00 31.44 26.20 1sr2 n GLU 791 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1sr2 n VAL 792 N -3.03 0.00 -0.49 6.31 0.24 -1.26 -4.45 118.33 115.66 1sr2 n VAL 792 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1sr2 n VAL 792 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1sr2 n THR 793 N 0.00 0.00 0.00 3.34 -1.04 -1.26 -4.94 114.28 110.37 1sr2 n THR 793 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1sr2 n THR 793 Cb 0.00 1.49 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 1sr2 n THR 793 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sr2 n GLU 794 N -0.09 0.00 -2.65 -2.82 -0.58 -1.26 -4.72 120.64 108.53 1sr2 n GLU 794 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1sr2 n GLU 794 Cb 0.12 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.97 1sr2 n GLU 794 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1sr2 s SER 795 N -4.00 6.88 -1.11 1.62 0.01 -1.26 -4.96 113.70 110.87 1sr2 s SER 795 Ca 0.00 0.95 -0.22 0.00 1.31 0.00 0.00 55.95 57.99 1sr2 s SER 795 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1sr2 s SER 795 CO 0.00 -0.92 1.75 -2.16 0.41 0.00 0.00 173.24 172.32 1sr2 s PRO 796 N 3.73 3.21 6.79 12.44 0.04 -1.26 -4.89 135.00 155.06 1sr2 s PRO 796 Ca 0.45 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1sr2 s PRO 796 Cb -0.12 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1sr2 s PRO 796 CO 0.17 -2.90 0.00 1.28 0.04 0.00 0.00 177.00 175.59 1sr2 n LEU 797 N 11.17 0.00 0.11 -3.56 4.77 -1.26 -4.67 117.00 123.56 1sr2 n LEU 797 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1sr2 n LEU 797 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1sr2 n LEU 797 CO 0.68 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1sr2 n GLY 798 N 0.00 -0.25 1.99 -0.72 0.00 -1.26 -5.01 105.19 99.94 1sr2 n GLY 798 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.89 2.37 2.56 -0.02 0.00 -1.26 -4.81 105.19 105.91 1sr2 n GLY 799 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 3.39 -0.17 1.61 2.03 -1.26 -4.92 116.55 117.23 1sr2 n ASP 800 Ca 0.00 -3.32 0.16 0.00 0.52 0.00 0.00 54.79 52.14 1sr2 n ASP 800 Cb 0.00 -0.49 0.51 0.00 -0.72 0.00 0.00 41.12 40.42 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 2.76 0.40 -0.66 -0.67 3.07 -1.99 0.53 114.58 118.02 1sr2 h GLU 801 Ca 0.14 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1sr2 h GLU 801 Cb 1.01 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.80 1sr2 h GLU 801 CO 0.71 0.26 0.29 -2.95 -1.40 0.00 0.00 179.01 175.92 1sr2 h ASN 802 N 0.41 0.88 -0.25 1.42 -1.07 -1.92 0.20 115.58 115.25 1sr2 h ASN 802 Ca 0.37 -0.15 -0.18 0.00 0.07 0.00 0.00 56.30 56.41 1sr2 h ASN 802 Cb 0.87 -0.23 -0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1sr2 h ASN 802 CO -0.12 0.79 -0.53 0.00 0.07 0.00 0.00 177.43 177.64 1sr2 h ALA 803 N 1.13 0.51 -0.26 4.14 0.00 -1.36 0.65 119.26 124.07 1sr2 h ALA 803 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1sr2 h ALA 803 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sr2 h ALA 803 CO -0.02 0.68 0.14 0.37 0.00 0.00 0.00 179.25 180.42 1sr2 h GLN 804 N 0.65 0.36 -0.14 0.00 5.75 -0.97 0.26 115.11 121.03 1sr2 h GLN 804 Ca 0.02 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1sr2 h GLN 804 Cb 1.13 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1sr2 h GLN 804 CO 0.12 0.32 -0.34 1.25 -2.65 0.00 0.00 178.83 177.53 1sr2 h LEU 805 N 0.30 0.28 0.06 -2.39 5.85 -0.51 -1.17 115.31 117.73 1sr2 h LEU 805 Ca 0.09 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sr2 h LEU 805 Cb 0.07 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1sr2 h LEU 805 CO -0.01 0.61 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.93 1sr2 h HIS 806 N 0.24 -0.08 0.00 1.25 2.76 -0.55 -2.71 115.15 116.05 1sr2 h HIS 806 Ca 0.03 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1sr2 h HIS 806 Cb 0.72 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1sr2 h HIS 806 CO 0.01 0.42 -0.34 0.00 -1.30 0.00 0.00 177.93 176.72 1sr2 h ALA 807 N 0.25 1.20 0.00 5.26 0.00 -0.39 -2.51 119.26 123.07 1sr2 h ALA 807 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sr2 h ALA 807 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sr2 h ALA 807 CO 0.01 0.43 0.00 0.43 0.00 0.00 0.00 179.25 180.12 1sr2 n SER 808 N -3.79 0.00 0.00 0.00 7.64 -0.45 -4.90 113.62 112.12 1sr2 n SER 808 Ca -0.01 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1sr2 n SER 808 Cb 0.42 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.94 2.56 0.00 0.23 0.00 -0.94 -4.78 105.19 103.19 1sr2 n GLY 809 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.12 1.61 0.18 -1.25 -2.22 117.16 115.60 1sr2 n TYR 810 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 1sr2 n TYR 810 Cb 0.00 0.00 0.47 0.00 -0.38 0.00 0.00 39.34 39.43 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 0.00 0.26 -0.70 -3.48 5.03 -1.73 -0.07 116.97 116.29 1sr2 h TYR 811 Ca 0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1sr2 h TYR 811 Cb 0.00 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 1sr2 h TYR 811 CO 0.00 0.25 0.40 0.00 -1.32 0.00 0.00 178.16 177.49 1sr2 h ALA 812 N 1.78 0.89 -0.02 1.82 0.00 -1.77 -0.30 119.26 121.66 1sr2 h ALA 812 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1sr2 h ALA 812 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sr2 h ALA 812 CO -0.00 0.38 -0.68 -0.07 0.00 0.00 0.00 179.25 178.88 1sr2 h LEU 813 N 0.95 0.11 -0.94 0.00 3.38 -1.66 -1.94 115.31 115.21 1sr2 h LEU 813 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1sr2 h LEU 813 Cb 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1sr2 h LEU 813 CO -0.04 0.76 0.55 0.15 0.09 0.00 0.00 178.44 179.95 1sr2 h PHE 814 N 0.06 1.25 -0.16 1.13 3.57 -0.25 -1.58 116.94 120.96 1sr2 h PHE 814 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sr2 h PHE 814 Cb 1.21 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1sr2 h PHE 814 CO 0.01 0.83 0.00 1.33 -2.23 0.00 0.00 178.31 178.25 1sr2 n VAL 815 N -4.35 0.19 -0.06 1.41 0.24 -0.19 -3.38 118.33 112.18 1sr2 n VAL 815 Ca 0.10 -0.43 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1sr2 n VAL 815 Cb 0.07 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.69 1.53 -0.09 -1.34 -0.08 -0.66 -4.80 116.55 111.80 1sr2 n ASP 816 Ca 0.17 0.51 -0.10 0.00 -1.51 0.00 0.00 54.79 53.86 1sr2 n ASP 816 Cb 0.43 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 43.00 1sr2 n ASP 816 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1sr2 n THR 817 N -4.20 1.09 0.21 5.18 5.66 -0.83 -4.58 114.28 116.81 1sr2 n THR 817 Ca -0.07 -0.56 -0.15 0.00 -3.05 0.00 0.00 64.05 60.22 1sr2 n THR 817 Cb 0.26 -0.84 -0.07 0.00 -1.55 0.00 0.00 70.33 68.14 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 0.41 -0.91 1.08 2.07 -1.65 0.44 116.25 117.69 1sr2 h VAL 818 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1sr2 h VAL 818 Cb 1.84 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1sr2 h VAL 818 CO -0.01 0.00 0.54 1.55 0.02 0.00 0.00 177.57 179.67 1sr2 h PRO 819 N -0.62 1.25 -0.64 1.57 0.13 -1.86 -1.04 132.00 130.79 1sr2 h PRO 819 Ca -0.02 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 1sr2 h PRO 819 Cb 0.55 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1sr2 h PRO 819 CO -0.03 0.88 0.04 0.22 -0.23 0.00 0.00 178.00 178.89 1sr2 h ASP 820 N 1.26 1.06 -0.98 1.44 3.58 -1.69 -0.89 116.42 120.20 1sr2 h ASP 820 Ca 0.33 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.50 1sr2 h ASP 820 Cb -0.04 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.68 1sr2 h ASP 820 CO -0.06 1.09 0.64 0.44 -2.88 0.00 0.00 179.24 178.47 1sr2 h ASP 821 N 1.00 1.13 -0.56 2.28 5.19 0.49 0.22 116.42 126.18 1sr2 h ASP 821 Ca 0.19 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1sr2 h ASP 821 Cb 0.51 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1sr2 h ASP 821 CO 0.02 0.82 0.14 0.58 -3.12 0.00 0.00 179.24 177.69 1sr2 h VAL 822 N 1.33 1.24 -0.86 -1.35 2.07 -0.82 0.13 116.25 117.99 1sr2 h VAL 822 Ca 0.36 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1sr2 h VAL 822 Cb -0.15 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1sr2 h VAL 822 CO -0.08 0.32 0.42 0.11 0.02 0.00 0.00 177.57 178.36 1sr2 h LYS 823 N 0.79 1.23 -0.23 1.57 1.57 -0.20 0.41 116.57 121.72 1sr2 h LYS 823 Ca 0.18 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1sr2 h LYS 823 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1sr2 h LYS 823 CO 0.00 0.94 -0.40 0.00 -0.57 0.00 0.00 179.45 179.42 1sr2 h ARG 824 N 1.22 0.53 -0.82 3.15 3.08 -0.35 -0.95 114.38 120.24 1sr2 h ARG 824 Ca 0.30 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1sr2 h ARG 824 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1sr2 h ARG 824 CO -0.04 0.84 0.53 -0.07 -1.07 0.00 0.00 179.97 180.16 1sr2 h LEU 825 N 0.44 0.87 -0.74 3.04 3.38 -0.03 0.42 115.31 122.68 1sr2 h LEU 825 Ca 0.04 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1sr2 h LEU 825 Cb 0.89 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1sr2 h LEU 825 CO 0.08 0.60 0.44 1.88 0.09 0.00 0.00 178.44 181.53 1sr2 h TYR 826 N 1.03 0.82 -0.29 1.13 0.05 -0.38 -0.71 116.97 118.62 1sr2 h TYR 826 Ca 0.33 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.09 1sr2 h TYR 826 Cb 0.00 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 1sr2 h TYR 826 CO -0.03 0.42 0.03 1.15 -1.05 0.00 0.00 178.16 178.69 1sr2 h THR 827 N 0.83 1.24 0.00 -2.88 2.02 0.11 -1.06 112.91 113.16 1sr2 h THR 827 Ca 0.32 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1sr2 h THR 827 Cb 0.14 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1sr2 h THR 827 CO -0.16 0.27 -0.44 -0.33 0.37 0.00 0.00 175.52 175.23 1sr2 h GLU 828 N 0.31 0.00 -0.14 6.66 4.39 -0.84 -2.59 114.58 122.36 1sr2 h GLU 828 Ca 0.09 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1sr2 h GLU 828 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1sr2 h GLU 828 CO 0.01 0.44 -0.49 0.00 -1.16 0.00 0.00 179.01 177.81 1sr2 h ALA 829 N 1.56 0.91 -0.06 3.43 0.00 -0.84 -1.94 119.26 122.31 1sr2 h ALA 829 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1sr2 h ALA 829 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sr2 h ALA 829 CO 0.06 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.79 1sr2 h ALA 830 N 1.19 1.61 -0.00 0.00 0.00 -0.79 -1.26 119.26 120.00 1sr2 h ALA 830 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sr2 h ALA 830 Cb 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sr2 h ALA 830 CO 0.08 0.29 -0.39 0.25 0.00 0.00 0.00 179.25 179.48 1sr2 n THR 831 N -4.29 0.00 -2.79 0.00 -2.24 -1.11 -4.93 114.28 98.92 1sr2 n THR 831 Ca -0.02 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1sr2 n THR 831 Cb 0.26 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.13 -5.78 -4.28 3.42 7.64 -0.48 -4.89 113.62 108.13 1sr2 n SER 832 Ca 0.08 -0.17 -0.43 0.00 1.01 0.00 0.00 58.87 59.36 1sr2 n SER 832 Cb 0.34 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 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 -2.29 4.89 -0.11 6.43 -0.08 -0.79 -4.80 116.55 119.80 1sr2 n ASP 833 Ca -0.16 -2.96 0.24 0.00 -1.51 0.00 0.00 54.79 50.40 1sr2 n ASP 833 Cb 0.64 -1.63 0.69 0.00 2.34 0.00 0.00 41.12 43.16 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 6.85 0.06 -0.65 -0.67 0.04 -1.90 0.50 116.94 121.16 1sr2 h PHE 834 Ca 0.42 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 1sr2 h PHE 834 Cb 0.79 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 1sr2 h PHE 834 CO 1.30 0.02 0.31 0.00 -0.60 0.00 0.00 178.31 179.34 1sr2 h ALA 835 N 1.64 0.84 0.10 2.45 0.00 -1.96 0.15 119.26 122.48 1sr2 h ALA 835 Ca 0.35 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 835 Cb 1.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1sr2 h ALA 835 CO -0.02 0.40 -1.24 0.00 0.00 0.00 0.00 179.25 178.39 1sr2 h ALA 836 N 1.14 0.18 -0.46 0.00 0.00 -1.02 -2.15 119.26 116.95 1sr2 h ALA 836 Ca 0.22 -0.93 0.03 0.00 0.00 0.00 0.00 54.91 54.23 1sr2 h ALA 836 Cb 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sr2 h ALA 836 CO -0.03 1.06 0.25 -0.07 0.00 0.00 0.00 179.25 180.46 1sr2 h LEU 837 N 0.06 0.39 -0.54 0.00 3.38 -0.02 0.14 115.31 118.71 1sr2 h LEU 837 Ca -0.13 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1sr2 h LEU 837 Cb 1.94 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1sr2 h LEU 837 CO 0.18 0.27 0.03 0.00 0.09 0.00 0.00 178.44 179.01 1sr2 h ALA 838 N 1.23 0.72 -0.66 1.53 0.00 -0.66 0.28 119.26 121.70 1sr2 h ALA 838 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1sr2 h ALA 838 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1sr2 h ALA 838 CO -0.11 0.52 0.14 1.96 0.00 0.00 0.00 179.25 181.75 1sr2 h GLN 839 N 0.81 1.07 -0.09 0.00 1.08 -1.05 0.38 115.11 117.30 1sr2 h GLN 839 Ca 0.16 -0.26 -0.22 0.00 -1.45 0.00 0.00 58.65 56.88 1sr2 h GLN 839 Cb 0.49 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1sr2 h GLN 839 CO 0.02 0.96 -0.82 1.15 -0.95 0.00 0.00 178.83 179.19 1sr2 h THR 840 N 1.01 1.32 -0.35 -0.54 2.02 -0.54 -1.35 112.91 114.49 1sr2 h THR 840 Ca 0.21 -2.11 -0.05 0.00 0.77 0.00 0.00 66.41 65.23 1sr2 h THR 840 Cb 0.39 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1sr2 h THR 840 CO 0.01 0.65 0.01 0.00 0.37 0.00 0.00 175.52 176.56 1sr2 h ALA 841 N 0.67 1.37 -0.58 6.16 0.00 -0.26 0.89 119.26 127.50 1sr2 h ALA 841 Ca -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 841 Cb 1.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1sr2 h ALA 841 CO 0.16 0.44 0.38 1.25 0.00 0.00 0.00 179.25 181.48 1sr2 h HIS 842 N 0.52 0.73 -0.38 0.00 6.17 -0.00 0.25 115.15 122.43 1sr2 h HIS 842 Ca 0.11 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 1sr2 h HIS 842 Cb 0.32 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 1sr2 h HIS 842 CO 0.01 0.45 0.11 0.00 0.71 0.00 0.00 177.93 179.21 1sr2 h ARG 843 N 0.78 0.60 -0.58 5.26 3.08 -0.40 0.26 114.38 123.39 1sr2 h ARG 843 Ca 0.22 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1sr2 h ARG 843 Cb -0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1sr2 h ARG 843 CO -0.05 0.62 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.35 1sr2 h LEU 844 N 0.47 1.04 -0.81 3.04 -0.00 -0.58 0.17 115.31 118.65 1sr2 h LEU 844 Ca 0.12 -0.32 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 1sr2 h LEU 844 Cb 0.28 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 1sr2 h LEU 844 CO -0.00 1.11 0.33 0.50 -0.00 0.00 0.00 178.44 180.38 1sr2 h LYS 845 N 0.94 1.21 -0.22 1.13 3.64 -0.42 -1.90 116.57 120.94 1sr2 h LYS 845 Ca 0.16 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1sr2 h LYS 845 Cb 0.61 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1sr2 h LYS 845 CO 0.04 0.97 -0.09 0.78 -2.27 0.00 0.00 179.45 178.87 1sr2 h GLY 846 N 1.18 0.50 1.02 5.01 0.00 -0.27 -0.90 103.07 109.61 1sr2 h GLY 846 Ca 0.27 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1sr2 h GLY 846 CO -0.02 0.40 0.04 -0.39 0.00 0.00 0.00 176.54 176.57 1sr2 h VAL 847 N 0.18 1.26 -0.50 4.60 -1.51 -0.62 0.11 116.25 119.75 1sr2 h VAL 847 Ca 0.05 -1.04 -0.12 0.00 -1.23 0.00 0.00 66.70 64.36 1sr2 h VAL 847 Cb 0.58 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1sr2 h VAL 847 CO 0.03 0.37 -0.15 -0.26 -1.23 0.00 0.00 177.57 176.33 1sr2 h PHE 848 N 0.80 1.12 -0.29 5.19 0.04 -1.35 -2.01 116.94 120.44 1sr2 h PHE 848 Ca 0.16 -0.25 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 1sr2 h PHE 848 Cb 0.48 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1sr2 h PHE 848 CO 0.04 1.07 -0.18 0.00 -0.60 0.00 0.00 178.31 178.63 1sr2 h ALA 849 N 0.89 1.16 -0.28 2.45 0.00 -0.99 0.51 119.26 123.01 1sr2 h ALA 849 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sr2 h ALA 849 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sr2 h ALA 849 CO 0.06 0.53 0.17 1.98 0.00 0.00 0.00 179.25 181.99 1sr2 h MET 850 N 0.46 0.37 -0.00 0.00 1.85 -0.42 -2.26 114.93 114.93 1sr2 h MET 850 Ca 0.08 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1sr2 h MET 850 Cb 0.58 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.53 1sr2 h MET 850 CO 0.04 0.28 -0.17 1.28 -0.40 0.00 0.00 176.91 177.93 1sr2 n LEU 851 N -4.87 0.58 -1.47 3.39 4.77 -0.79 -4.92 117.00 113.68 1sr2 n LEU 851 Ca -0.02 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 1sr2 n LEU 851 Cb 0.04 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1sr2 n LEU 851 CO 0.34 0.11 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.30 1sr2 n ASN 852 N -0.97 -3.61 -4.51 -1.43 2.85 0.72 -4.95 115.26 103.37 1sr2 n ASN 852 Ca 0.13 -0.12 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1sr2 n ASN 852 Cb 0.30 -2.55 -0.01 0.00 1.24 0.00 0.00 39.78 38.77 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 -3.28 4.49 0.16 1.20 1.43 0.15 -4.88 118.68 117.95 1sr2 s LEU 853 Ca 0.13 -2.51 -0.23 0.00 -1.03 0.00 0.00 54.13 50.49 1sr2 s LEU 853 Cb -0.06 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.74 1sr2 s LEU 853 CO 0.16 -1.01 1.61 0.58 0.23 0.00 0.00 176.35 177.91 1sr2 h VAL 854 N 5.36 0.28 -0.72 -1.59 2.07 -1.93 -0.23 116.25 119.49 1sr2 h VAL 854 Ca 0.32 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.93 1sr2 h VAL 854 Cb 0.91 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1sr2 h VAL 854 CO 1.31 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 178.63 1sr2 h PRO 855 N -0.26 0.64 -0.11 1.57 0.11 -1.97 0.34 132.00 132.31 1sr2 h PRO 855 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1sr2 h PRO 855 Cb 0.52 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1sr2 h PRO 855 CO -0.49 0.42 0.02 0.78 -0.21 0.00 0.00 178.00 178.52 1sr2 h GLY 856 N 0.66 0.20 1.43 -0.55 0.00 -1.80 -1.55 103.07 101.46 1sr2 h GLY 856 Ca 0.35 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1sr2 h GLY 856 CO -0.24 0.13 -0.03 1.70 0.00 0.00 0.00 176.54 178.10 1sr2 h LYS 857 N -0.05 0.69 -0.52 4.80 3.11 -0.60 -1.60 116.57 122.41 1sr2 h LYS 857 Ca 0.03 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1sr2 h LYS 857 Cb 0.30 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1sr2 h LYS 857 CO 0.00 0.73 0.16 -0.56 -2.81 0.00 0.00 179.45 176.97 1sr2 h GLN 858 N 0.65 0.77 -0.38 1.90 3.07 -0.24 0.94 115.11 121.82 1sr2 h GLN 858 Ca 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1sr2 h GLN 858 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1sr2 h GLN 858 CO 0.02 0.67 0.12 -0.07 0.09 0.00 0.00 178.83 179.66 1sr2 h LEU 859 N 0.75 0.55 -0.61 0.06 3.38 -0.48 -1.94 115.31 117.02 1sr2 h LEU 859 Ca 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1sr2 h LEU 859 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1sr2 h LEU 859 CO -0.01 0.61 0.21 0.00 0.09 0.00 0.00 178.44 179.34 1sr2 h GLU 861 N 0.86 0.23 -0.37 0.00 4.39 -0.71 0.27 114.58 119.26 1sr2 h GLU 861 Ca 0.20 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1sr2 h GLU 861 Cb 0.26 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1sr2 h GLU 861 CO -0.01 0.15 -0.14 1.15 -1.16 0.00 0.00 179.01 179.00 1sr2 h THR 862 N 0.23 1.25 -0.45 1.13 2.02 -1.14 -1.65 112.91 114.31 1sr2 h THR 862 Ca 0.12 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 1sr2 h THR 862 Cb 0.07 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1sr2 h THR 862 CO -0.11 0.39 0.17 -0.07 0.37 0.00 0.00 175.52 176.27 1sr2 h LEU 863 N 0.60 0.63 -1.35 2.58 3.38 -0.27 -1.29 115.31 119.59 1sr2 h LEU 863 Ca 0.10 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1sr2 h LEU 863 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1sr2 h LEU 863 CO 0.04 0.64 0.44 -0.33 0.09 0.00 0.00 178.44 179.31 1sr2 h GLU 864 N 0.58 0.87 -0.30 1.13 5.08 -0.14 0.15 114.58 121.95 1sr2 h GLU 864 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sr2 h GLU 864 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1sr2 h GLU 864 CO -0.01 0.57 0.20 1.25 -1.00 0.00 0.00 179.01 180.02 1sr2 h HIS 865 N 0.89 0.37 -0.30 4.33 2.76 -0.85 0.22 115.15 122.58 1sr2 h HIS 865 Ca 0.24 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1sr2 h HIS 865 Cb -0.09 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 1sr2 h HIS 865 CO -0.00 0.24 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.76 1sr2 h LEU 866 N 0.40 0.44 -0.22 0.26 3.38 -0.03 -1.79 115.31 117.75 1sr2 h LEU 866 Ca 0.11 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 1sr2 h LEU 866 Cb -0.05 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1sr2 h LEU 866 CO -0.02 0.53 -0.84 0.40 0.09 0.00 0.00 178.44 178.59 1sr2 h ILE 867 N 0.44 1.34 -0.51 1.22 2.04 -0.35 0.10 117.51 121.80 1sr2 h ILE 867 Ca 0.09 -2.18 -0.04 0.00 1.00 0.00 0.00 64.86 63.73 1sr2 h ILE 867 Cb 0.35 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1sr2 h ILE 867 CO 0.01 0.67 0.15 0.08 0.00 0.00 0.00 178.15 179.06 1sr2 h ARG 868 N 0.36 0.76 -0.02 2.37 -0.00 -0.11 -1.35 114.38 116.39 1sr2 h ARG 868 Ca -0.06 -0.13 0.00 0.00 -0.00 0.00 0.00 59.98 59.78 1sr2 h ARG 868 Cb 1.46 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 1sr2 h ARG 868 CO 0.16 0.67 -0.04 -0.85 -0.00 0.00 0.00 179.97 179.90 1sr2 n GLU 869 N -4.31 1.69 -3.30 0.08 0.28 -0.71 -4.94 120.64 109.43 1sr2 n GLU 869 Ca 0.04 -1.09 -0.23 0.00 -0.16 0.00 0.00 57.16 55.71 1sr2 n GLU 869 Cb 0.20 -1.48 0.06 0.00 1.43 0.00 0.00 31.44 31.65 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sr2 n LYS 870 N 0.30 -6.39 -2.86 3.44 5.02 -0.51 -4.92 118.16 112.25 1sr2 n LYS 870 Ca 0.17 0.86 -0.44 0.00 -2.02 0.00 0.00 58.31 56.89 1sr2 n LYS 870 Cb 0.40 -5.79 -0.01 0.00 -0.02 0.00 0.00 35.03 29.61 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sr2 s ASP 871 N -3.02 6.84 0.16 4.39 2.15 0.24 -4.89 116.67 122.55 1sr2 s ASP 871 Ca 0.44 -2.47 -0.20 0.00 0.43 0.00 0.00 52.55 50.75 1sr2 s ASP 871 Cb -0.19 -2.44 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 1sr2 s ASP 871 CO 0.55 -0.98 1.65 0.58 -0.17 0.00 0.00 175.17 176.80 1sr2 h VAL 872 N 5.36 0.49 -0.84 1.11 2.07 -1.91 -0.14 116.25 122.38 1sr2 h VAL 872 Ca 0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.88 1sr2 h VAL 872 Cb 0.93 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1sr2 h VAL 872 CO 1.25 0.00 0.49 -0.65 0.02 0.00 0.00 177.57 178.68 1sr2 h PRO 873 N -0.13 0.81 -0.44 1.57 0.11 -1.98 -0.17 132.00 131.77 1sr2 h PRO 873 Ca 0.17 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 873 Cb 0.38 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1sr2 h PRO 873 CO -0.40 0.53 -0.23 0.78 -0.21 0.00 0.00 178.00 178.48 1sr2 h GLY 874 N 0.83 0.98 0.94 -0.55 0.00 -1.80 -1.75 103.07 101.72 1sr2 h GLY 874 Ca 0.40 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1sr2 h GLY 874 CO -0.24 0.78 -0.20 -2.22 0.00 0.00 0.00 176.54 174.66 1sr2 h ILE 875 N 0.78 0.59 -0.53 2.60 2.04 -0.08 -0.04 117.51 122.88 1sr2 h ILE 875 Ca 0.10 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1sr2 h ILE 875 Cb 0.78 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1sr2 h ILE 875 CO 0.06 0.02 0.21 1.05 0.00 0.00 0.00 178.15 179.50 1sr2 h GLU 876 N -0.63 0.76 -0.05 2.37 4.11 -1.09 0.35 114.58 120.40 1sr2 h GLU 876 Ca -0.06 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 1sr2 h GLU 876 Cb 0.47 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sr2 h GLU 876 CO 0.09 0.62 0.03 -0.22 0.07 0.00 0.00 179.01 179.60 1sr2 h LYS 877 N 0.75 0.07 -0.05 1.06 3.11 -1.15 -1.01 116.57 119.36 1sr2 h LYS 877 Ca 0.18 -0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.87 1sr2 h LYS 877 Cb 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1sr2 h LYS 877 CO -0.02 0.15 -0.62 1.88 -2.81 0.00 0.00 179.45 178.03 1sr2 h TYR 878 N -0.02 0.23 -0.45 1.91 -1.99 -0.42 -0.95 116.97 115.29 1sr2 h TYR 878 Ca 0.02 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 1sr2 h TYR 878 Cb 0.10 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1sr2 h TYR 878 CO -0.04 0.75 0.20 0.82 -0.00 0.00 0.00 178.16 179.89 1sr2 h ILE 879 N 0.13 1.19 -0.22 -2.88 2.04 -0.21 0.33 117.51 117.89 1sr2 h ILE 879 Ca -0.01 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1sr2 h ILE 879 Cb 1.12 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1sr2 h ILE 879 CO 0.09 0.21 -0.08 0.28 0.00 0.00 0.00 178.15 178.65 1sr2 h SER 880 N 0.58 0.32 0.30 1.72 0.02 -0.94 -0.30 113.55 115.25 1sr2 h SER 880 Ca 0.15 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 1sr2 h SER 880 Cb 0.15 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1sr2 h SER 880 CO -0.02 0.45 -0.66 -0.78 -1.14 0.00 0.00 176.83 174.68 1sr2 h ASP 881 N 0.33 0.38 0.43 3.07 3.58 -0.62 -0.68 116.42 122.91 1sr2 h ASP 881 Ca 0.07 -0.23 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 1sr2 h ASP 881 Cb 0.36 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1sr2 h ASP 881 CO 0.02 0.93 -0.54 -0.29 -2.88 0.00 0.00 179.24 176.48 1sr2 h ILE 882 N 0.24 1.37 -0.13 2.25 2.10 0.21 -0.12 117.51 123.43 1sr2 h ILE 882 Ca -0.01 -1.84 -0.17 0.00 1.08 0.00 0.00 64.86 63.92 1sr2 h ILE 882 Cb 1.20 1.94 0.01 0.00 -1.09 0.00 0.00 36.82 38.88 1sr2 h ILE 882 CO 0.11 0.53 -0.57 -0.78 -1.08 0.00 0.00 178.15 176.36 1sr2 h ASP 883 N 0.09 0.73 0.21 2.19 3.58 -0.81 -1.88 116.42 120.53 1sr2 h ASP 883 Ca -0.00 -0.63 -0.10 0.00 0.42 0.00 0.00 57.03 56.73 1sr2 h ASP 883 Cb 0.98 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1sr2 h ASP 883 CO 0.08 1.23 -0.36 0.77 -2.88 0.00 0.00 179.24 178.08 1sr2 h SER 884 N 0.27 0.22 0.44 2.28 4.64 -1.10 -0.92 113.55 119.39 1sr2 h SER 884 Ca -0.03 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1sr2 h SER 884 Cb 1.20 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1sr2 h SER 884 CO 0.12 0.58 -0.40 0.22 -0.87 0.00 0.00 176.83 176.47 1sr2 h TYR 885 N 0.19 -1.09 -0.04 4.77 3.20 -0.81 -0.65 116.97 122.54 1sr2 h TYR 885 Ca 0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1sr2 h TYR 885 Cb 0.74 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1sr2 h TYR 885 CO 0.01 -0.56 -0.22 -0.24 -1.64 0.00 0.00 178.16 175.51 1sr2 h VAL 886 N -0.85 1.18 -0.20 1.81 3.04 -1.20 -1.44 116.25 118.59 1sr2 h VAL 886 Ca -0.04 -0.83 -0.15 0.00 -1.01 0.00 0.00 66.70 64.67 1sr2 h VAL 886 Cb 0.75 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1sr2 h VAL 886 CO -0.04 0.24 -0.50 0.11 -1.01 0.00 0.00 177.57 176.37 1sr2 h LYS 887 N 0.06 0.54 0.00 4.17 1.57 -0.81 0.15 116.57 122.25 1sr2 h LYS 887 Ca 0.01 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1sr2 h LYS 887 Cb 0.42 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1sr2 h LYS 887 CO 0.03 0.92 -0.38 0.66 -0.57 0.00 0.00 179.45 180.10 1sr2 h SER 888 N 0.43 0.00 1.77 0.86 4.64 -0.39 -2.55 113.55 118.32 1sr2 h SER 888 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sr2 h SER 888 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sr2 h SER 888 CO 0.09 0.38 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.23 1sr2 h LEU 889 N 0.00 0.00 -0.16 5.97 4.07 -0.91 -3.51 115.31 120.78 1sr2 h LEU 889 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1sr2 h LEU 889 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1sr2 h LEU 889 CO 0.05 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.59