#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 s GLN 776 N 0.00 2.10 0.00 3.17 -2.07 -1.26 -4.83 119.66 116.77 1sr2 s GLN 776 Ca 0.00 -2.58 0.00 0.00 -1.82 0.00 0.00 55.36 50.96 1sr2 s GLN 776 Cb 0.00 -3.41 0.00 0.00 -1.09 0.00 0.00 33.01 28.51 1sr2 s GLN 776 CO 0.00 -1.12 0.00 0.39 -1.32 0.00 0.00 175.29 173.24 1sr2 n GLU 777 N 3.24 0.00 -1.86 9.60 4.71 -1.26 -4.73 120.64 130.33 1sr2 n GLU 777 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.79 1sr2 n GLU 777 Cb 0.34 -0.02 -0.00 0.00 -1.01 0.00 0.00 31.44 30.74 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sr2 n ALA 778 N 0.00 6.01 0.03 0.62 0.00 -1.26 -4.63 120.51 121.28 1sr2 n ALA 778 Ca 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 53.44 49.46 1sr2 n ALA 778 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 19.45 16.18 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sr2 h VAL 779 N 3.58 0.00 -2.87 0.00 2.07 -1.89 -3.47 116.25 113.67 1sr2 h VAL 779 Ca 0.59 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.87 1sr2 h VAL 779 Cb 0.53 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 1sr2 h VAL 779 CO 1.75 0.00 0.19 -1.48 0.02 0.00 0.00 177.57 178.05 1sr2 s LEU 780 N -5.39 -0.52 0.00 2.57 0.05 -1.26 -5.07 118.68 109.06 1sr2 s LEU 780 Ca -0.01 0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.26 1sr2 s LEU 780 Cb 0.00 2.54 0.00 0.00 -2.05 0.00 0.00 46.19 46.68 1sr2 s LEU 780 CO 0.04 -0.91 0.00 0.00 -0.55 0.00 0.00 176.35 174.94 1sr2 n GLN 781 N -0.16 0.00 0.00 1.48 3.00 -1.26 -5.08 117.38 115.36 1sr2 n GLN 781 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1sr2 n GLN 781 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1sr2 n LEU 782 N 0.00 0.00 0.00 1.08 -0.00 -1.26 -5.13 117.00 111.69 1sr2 n LEU 782 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sr2 n LEU 782 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1sr2 n LEU 782 CO 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 177.39 176.93 1sr2 n ILE 783 N -2.42 0.00 0.04 1.47 0.13 -1.26 -5.12 119.36 112.20 1sr2 n ILE 783 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1sr2 n ILE 783 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1sr2 n GLU 784 N 0.00 0.01 -3.58 9.51 1.02 -1.26 -4.98 120.64 121.36 1sr2 n GLU 784 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1sr2 n GLU 784 Cb 0.00 -0.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.84 0.86 -0.07 2.62 -7.23 -1.26 -4.96 120.40 108.51 1sr2 s VAL 785 Ca -0.01 -2.37 -0.20 0.00 -1.81 0.00 0.00 61.98 57.59 1sr2 s VAL 785 Cb 0.00 -1.60 -0.30 0.00 0.56 0.00 0.00 36.38 35.04 1sr2 s VAL 785 CO 0.01 -0.99 0.77 -0.61 -0.31 0.00 0.00 175.10 173.96 1sr2 h GLN 786 N 6.57 0.26 -1.24 4.82 5.75 -2.01 -3.34 115.11 125.91 1sr2 h GLN 786 Ca 0.07 -0.44 -0.68 0.00 -0.15 0.00 0.00 58.65 57.45 1sr2 h GLN 786 Cb 0.93 0.17 -0.31 0.00 1.07 0.00 0.00 27.48 29.33 1sr2 h GLN 786 CO 0.40 1.21 0.59 1.28 -2.65 0.00 0.00 178.83 179.66 1sr2 n LEU 787 N -4.10 7.10 0.00 -2.39 4.77 -1.26 -4.94 117.00 116.17 1sr2 n LEU 787 Ca -0.18 -4.55 -0.08 0.00 -0.03 0.00 0.00 56.01 51.17 1sr2 n LEU 787 Cb 0.83 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1sr2 n LEU 787 CO 0.45 1.68 0.19 0.00 -1.33 0.00 0.00 177.39 178.38 1sr2 n ALA 788 N -0.77 -0.55 -3.57 -1.18 0.00 -1.25 -4.96 120.51 108.22 1sr2 n ALA 788 Ca 0.57 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 1sr2 n ALA 788 Cb 0.60 0.80 0.07 0.00 0.00 0.00 0.00 19.45 20.91 1sr2 n ALA 788 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sr2 n GLN 789 N -0.37 -6.22 -3.77 0.00 0.00 -1.26 -4.97 117.38 100.78 1sr2 n GLN 789 Ca -0.02 0.76 -0.19 0.00 -0.00 0.00 0.00 57.00 57.55 1sr2 n GLN 789 Cb 0.39 -5.64 -0.17 0.00 0.00 0.00 0.00 30.24 24.82 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1sr2 s GLU 790 N -5.77 0.17 -0.35 3.69 0.41 -1.26 -5.05 118.70 110.54 1sr2 s GLU 790 Ca 0.13 0.22 0.02 0.00 -0.41 0.00 0.00 54.97 54.93 1sr2 s GLU 790 Cb -0.06 -0.56 0.30 0.00 -1.78 0.00 0.00 34.13 32.03 1sr2 s GLU 790 CO 0.76 -0.25 1.28 -1.91 -0.49 0.00 0.00 175.26 174.65 1sr2 n GLU 791 N 4.80 0.28 -2.89 1.61 2.13 -1.26 -5.15 120.64 120.16 1sr2 n GLU 791 Ca -0.14 -0.91 -0.33 0.00 0.66 0.00 0.00 57.16 56.45 1sr2 n GLU 791 Cb 0.50 -0.37 -0.06 0.00 0.27 0.00 0.00 31.44 31.78 1sr2 n GLU 791 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1sr2 s VAL 792 N 0.14 4.52 0.14 6.31 -7.23 -1.26 -4.99 120.40 118.02 1sr2 s VAL 792 Ca 0.23 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 1sr2 s VAL 792 Cb 0.26 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1sr2 s VAL 792 CO -0.15 -0.32 0.00 0.41 -0.31 0.00 0.00 175.10 174.73 1sr2 n THR 793 N -0.67 0.36 -0.80 5.32 -1.04 -1.26 -5.16 114.28 111.03 1sr2 n THR 793 Ca 0.06 0.12 0.10 0.00 -2.04 0.00 0.00 64.05 62.28 1sr2 n THR 793 Cb 0.54 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.21 1sr2 n THR 793 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1sr2 n GLU 794 N -3.15 -1.79 -3.46 -2.82 4.07 -1.26 -4.95 120.64 107.28 1sr2 n GLU 794 Ca 0.00 1.40 -0.23 0.00 -0.06 0.00 0.00 57.16 58.27 1sr2 n GLU 794 Cb 0.00 -2.11 -0.12 0.00 -0.06 0.00 0.00 31.44 29.15 1sr2 n GLU 794 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1sr2 s SER 795 N -6.06 2.48 0.46 4.31 1.04 -1.26 -5.13 113.70 109.54 1sr2 s SER 795 Ca 0.00 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 55.05 1sr2 s SER 795 Cb 0.00 0.10 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 1sr2 s SER 795 CO 0.00 -0.39 1.13 -2.16 0.98 0.00 0.00 173.24 172.79 1sr2 s PRO 796 N 2.08 3.80 -0.00 4.02 0.04 -1.26 -5.01 135.00 138.67 1sr2 s PRO 796 Ca 0.11 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1sr2 s PRO 796 Cb -0.16 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1sr2 s PRO 796 CO -0.29 -0.49 0.53 -0.07 0.04 0.00 0.00 177.00 176.72 1sr2 h LEU 797 N 2.02 -0.05 0.00 -3.56 3.38 -2.01 -3.50 115.31 111.58 1sr2 h LEU 797 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sr2 h LEU 797 Cb 1.24 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1sr2 h LEU 797 CO 0.60 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1sr2 n GLY 798 N 0.44 1.20 0.68 0.83 0.00 -1.26 -4.78 105.19 102.29 1sr2 n GLY 798 Ca -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1sr2 n GLY 798 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr2 n GLY 799 N 0.00 0.66 3.12 -0.02 0.00 -1.26 -5.04 105.19 102.64 1sr2 n GLY 799 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.42 5.40 0.32 1.61 2.15 -1.26 -4.93 116.67 119.54 1sr2 s ASP 800 Ca 0.00 -2.83 0.08 0.00 0.43 0.00 0.00 52.55 50.23 1sr2 s ASP 800 Cb 0.00 -1.89 0.56 0.00 -0.30 0.00 0.00 42.92 41.29 1sr2 s ASP 800 CO 0.00 -0.39 1.76 -0.33 -0.17 0.00 0.00 175.17 176.04 1sr2 h GLU 801 N 7.11 0.21 -0.68 4.34 5.08 -1.97 -1.40 114.58 127.28 1sr2 h GLU 801 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1sr2 h GLU 801 Cb 0.96 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1sr2 h GLU 801 CO 0.72 0.53 0.16 -2.95 -1.00 0.00 0.00 179.01 176.47 1sr2 h ASN 802 N 0.19 1.04 -0.47 1.42 -1.07 -1.92 -0.56 115.58 114.20 1sr2 h ASN 802 Ca 0.02 -0.24 -0.07 0.00 0.07 0.00 0.00 56.30 56.08 1sr2 h ASN 802 Cb 0.69 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.65 1sr2 h ASN 802 CO 0.05 1.01 0.01 0.00 0.07 0.00 0.00 177.43 178.57 1sr2 h ALA 803 N 1.07 0.64 -0.75 4.14 0.00 -1.78 -1.28 119.26 121.30 1sr2 h ALA 803 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 803 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sr2 h ALA 803 CO 0.00 0.43 0.32 0.37 0.00 0.00 0.00 179.25 180.37 1sr2 h GLN 804 N 0.68 1.10 0.00 0.00 -0.00 -1.06 0.13 115.11 115.97 1sr2 h GLN 804 Ca 0.14 -0.19 -0.10 0.00 -0.00 0.00 0.00 58.65 58.50 1sr2 h GLN 804 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 1sr2 h GLN 804 CO 0.02 0.89 -0.49 1.25 0.00 0.00 0.00 178.83 180.50 1sr2 h LEU 805 N 1.07 0.00 -0.07 -2.39 5.85 -0.91 -1.08 115.31 117.77 1sr2 h LEU 805 Ca 0.25 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.72 1sr2 h LEU 805 Cb 0.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1sr2 h LEU 805 CO -0.03 0.49 -1.02 -0.74 -0.34 0.00 0.00 178.44 176.81 1sr2 h HIS 806 N 0.00 0.82 -0.57 1.25 2.76 -0.83 -2.46 115.15 116.12 1sr2 h HIS 806 Ca -0.00 -0.46 -0.04 0.00 -2.20 0.00 0.00 60.37 57.67 1sr2 h HIS 806 Cb 0.87 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 1sr2 h HIS 806 CO 0.00 1.29 0.18 0.00 -1.30 0.00 0.00 177.93 178.10 1sr2 h ALA 807 N 0.56 1.25 -0.11 5.26 0.00 -0.37 -1.77 119.26 124.08 1sr2 h ALA 807 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1sr2 h ALA 807 Cb 1.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1sr2 h ALA 807 CO 0.19 0.53 -0.49 0.66 0.00 0.00 0.00 179.25 180.14 1sr2 h SER 808 N 0.83 0.31 0.00 0.00 4.64 -1.26 -3.47 113.55 114.59 1sr2 h SER 808 Ca 0.19 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1sr2 h SER 808 Cb 0.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1sr2 h SER 808 CO -0.01 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1sr2 n GLY 809 N 0.03 1.01 1.30 -0.77 0.00 -0.67 -4.97 105.19 101.12 1sr2 n GLY 809 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1sr2 n GLY 809 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sr2 n TYR 810 N -1.70 1.11 0.21 1.61 4.02 -0.95 -4.01 117.16 117.45 1sr2 n TYR 810 Ca 0.00 -0.47 0.07 0.00 -0.01 0.00 0.00 57.90 57.49 1sr2 n TYR 810 Cb 0.00 -0.13 0.58 0.00 -0.02 0.00 0.00 39.34 39.76 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1sr2 h TYR 811 N 3.54 0.09 -0.21 -0.72 5.03 -1.81 -2.54 116.97 120.34 1sr2 h TYR 811 Ca 0.00 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1sr2 h TYR 811 Cb 1.10 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 1sr2 h TYR 811 CO 0.57 0.09 0.09 0.00 -1.32 0.00 0.00 178.16 177.59 1sr2 h ALA 812 N 1.92 0.25 -0.15 1.82 0.00 -1.91 -1.42 119.26 119.77 1sr2 h ALA 812 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 812 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sr2 h ALA 812 CO -0.00 -0.33 -0.29 -0.07 0.00 0.00 0.00 179.25 178.56 1sr2 h LEU 813 N 0.20 0.28 -0.78 0.00 3.38 -1.77 -1.70 115.31 114.91 1sr2 h LEU 813 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sr2 h LEU 813 Cb 0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1sr2 h LEU 813 CO -0.08 0.57 0.45 0.15 0.09 0.00 0.00 178.44 179.62 1sr2 h PHE 814 N 0.25 1.05 -0.02 1.13 3.57 -0.99 -2.31 116.94 119.62 1sr2 h PHE 814 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sr2 h PHE 814 Cb 0.65 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1sr2 h PHE 814 CO 0.01 0.72 -0.06 1.33 -2.23 0.00 0.00 178.31 178.09 1sr2 n VAL 815 N -4.46 0.00 -0.03 1.41 0.24 -0.60 -3.78 118.33 111.11 1sr2 n VAL 815 Ca 0.07 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 62.04 1sr2 n VAL 815 Cb 0.07 0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.40 0.68 -0.01 -1.34 -0.08 -0.66 -4.79 116.55 110.76 1sr2 n ASP 816 Ca 0.16 0.26 0.09 0.00 -1.51 0.00 0.00 54.79 53.80 1sr2 n ASP 816 Cb 0.43 -0.61 -0.14 0.00 2.34 0.00 0.00 41.12 43.14 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 -3.16 0.00 0.24 5.18 5.66 -0.94 -4.39 114.28 116.87 1sr2 n THR 817 Ca -0.04 -0.37 -0.14 0.00 -3.05 0.00 0.00 64.05 60.45 1sr2 n THR 817 Cb 0.14 0.21 -0.08 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.43 0.00 1.08 2.07 -1.65 -1.24 116.25 116.93 1sr2 h VAL 818 Ca 0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1sr2 h VAL 818 Cb 0.79 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1sr2 h VAL 818 CO 0.00 0.06 -0.06 1.55 0.02 0.00 0.00 177.57 179.14 1sr2 h PRO 819 N -0.92 0.00 -0.11 1.57 0.13 -1.82 -0.38 132.00 130.47 1sr2 h PRO 819 Ca -0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 1sr2 h PRO 819 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1sr2 h PRO 819 CO 0.11 0.06 -0.53 0.22 -0.23 0.00 0.00 178.00 177.63 1sr2 h ASP 820 N 0.00 0.33 0.39 1.44 1.82 -1.72 -1.83 116.42 116.86 1sr2 h ASP 820 Ca -0.00 -0.17 -0.20 0.00 -0.39 0.00 0.00 57.03 56.27 1sr2 h ASP 820 Cb 0.15 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1sr2 h ASP 820 CO 0.01 0.80 -0.84 0.44 -1.61 0.00 0.00 179.24 178.04 1sr2 h ASP 821 N 0.24 0.41 -0.39 2.28 5.19 0.13 0.18 116.42 124.46 1sr2 h ASP 821 Ca 0.01 -0.31 -0.08 0.00 -0.62 0.00 0.00 57.03 56.02 1sr2 h ASP 821 Cb 1.02 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1sr2 h ASP 821 CO 0.09 1.08 -0.05 -0.37 -3.12 0.00 0.00 179.24 176.87 1sr2 h VAL 822 N 0.20 1.25 -0.41 -1.35 -1.51 -1.17 0.33 116.25 113.59 1sr2 h VAL 822 Ca -0.05 -1.10 -0.13 0.00 -1.23 0.00 0.00 66.70 64.19 1sr2 h VAL 822 Cb 1.44 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1sr2 h VAL 822 CO 0.14 0.38 -0.26 0.50 -1.23 0.00 0.00 177.57 177.10 1sr2 h LYS 823 N 0.75 0.87 -0.44 5.19 3.64 -1.17 -1.78 116.57 123.63 1sr2 h LYS 823 Ca 0.14 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1sr2 h LYS 823 Cb 0.53 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1sr2 h LYS 823 CO 0.03 1.03 0.28 -0.09 -2.27 0.00 0.00 179.45 178.43 1sr2 h ARG 824 N 0.75 0.56 -0.52 1.90 9.65 -0.13 -0.84 114.38 125.74 1sr2 h ARG 824 Ca 0.09 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.03 1sr2 h ARG 824 Cb 0.82 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.20 1sr2 h ARG 824 CO 0.07 0.37 0.11 -0.07 2.80 0.00 0.00 179.97 183.24 1sr2 h LEU 825 N 0.57 0.01 -0.60 3.80 3.38 -0.10 0.15 115.31 122.53 1sr2 h LEU 825 Ca 0.17 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1sr2 h LEU 825 Cb -0.04 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1sr2 h LEU 825 CO -0.05 0.03 0.21 1.88 0.09 0.00 0.00 178.44 180.60 1sr2 h TYR 826 N 0.25 0.37 -0.26 1.13 0.05 -0.81 0.10 116.97 117.79 1sr2 h TYR 826 Ca 0.26 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 1sr2 h TYR 826 Cb 0.36 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1sr2 h TYR 826 CO -0.23 0.08 0.08 1.15 -1.05 0.00 0.00 178.16 178.20 1sr2 h THR 827 N 0.39 1.20 -0.02 -2.88 2.02 0.46 -1.98 112.91 112.10 1sr2 h THR 827 Ca 0.30 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 1sr2 h THR 827 Cb 0.38 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1sr2 h THR 827 CO -0.31 0.21 -0.63 -0.33 0.37 0.00 0.00 175.52 174.82 1sr2 h GLU 828 N 0.26 0.07 -0.68 6.66 4.39 -0.54 -2.95 114.58 121.79 1sr2 h GLU 828 Ca 0.08 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1sr2 h GLU 828 Cb 0.24 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1sr2 h GLU 828 CO -0.00 0.68 0.13 0.00 -1.16 0.00 0.00 179.01 178.65 1sr2 h ALA 829 N 1.31 0.94 -0.66 3.43 0.00 -0.60 0.48 119.26 124.16 1sr2 h ALA 829 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sr2 h ALA 829 Cb 1.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1sr2 h ALA 829 CO 0.09 0.67 0.41 0.00 0.00 0.00 0.00 179.25 180.41 1sr2 h ALA 830 N 1.08 1.49 -0.36 0.00 0.00 -1.19 -0.74 119.26 119.54 1sr2 h ALA 830 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sr2 h ALA 830 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sr2 h ALA 830 CO 0.01 0.46 0.00 2.41 0.00 0.00 0.00 179.25 182.13 1sr2 n THR 831 N -4.41 0.48 -3.25 0.00 -1.04 -1.03 -4.91 114.28 100.12 1sr2 n THR 831 Ca 0.07 -0.51 -0.23 0.00 -2.04 0.00 0.00 64.05 61.34 1sr2 n THR 831 Cb 0.06 0.30 0.01 0.00 -1.82 0.00 0.00 70.33 68.88 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sr2 n SER 832 N 0.64 -4.64 -3.96 8.00 3.41 -0.28 -4.87 113.62 111.91 1sr2 n SER 832 Ca 0.14 -0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 57.97 1sr2 n SER 832 Cb 0.34 -3.79 0.00 0.00 -0.26 0.00 0.00 64.21 60.50 1sr2 n SER 832 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sr2 n ASP 833 N -2.39 5.03 0.27 4.04 -0.08 0.10 -4.75 116.55 118.76 1sr2 n ASP 833 Ca -0.05 -3.07 0.10 0.00 -1.51 0.00 0.00 54.79 50.26 1sr2 n ASP 833 Cb 0.57 -1.51 0.71 0.00 2.34 0.00 0.00 41.12 43.23 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 6.00 0.00 -0.80 -0.67 0.04 -1.89 0.21 116.94 119.83 1sr2 h PHE 834 Ca 0.40 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.15 1sr2 h PHE 834 Cb 0.67 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.78 1sr2 h PHE 834 CO 1.24 0.04 0.42 0.00 -0.60 0.00 0.00 178.31 179.42 1sr2 h ALA 835 N 1.96 1.03 -0.00 2.45 0.00 -1.97 0.19 119.26 122.91 1sr2 h ALA 835 Ca -0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1sr2 h ALA 835 Cb 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1sr2 h ALA 835 CO 0.01 0.56 -0.91 0.00 0.00 0.00 0.00 179.25 178.90 1sr2 h ALA 836 N 1.22 0.43 -0.40 0.00 0.00 -1.45 -2.07 119.26 116.98 1sr2 h ALA 836 Ca 0.28 -0.71 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1sr2 h ALA 836 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1sr2 h ALA 836 CO -0.04 0.84 0.17 -0.07 0.00 0.00 0.00 179.25 180.15 1sr2 h LEU 837 N 0.19 0.22 -0.59 0.00 4.07 -0.29 0.28 115.31 119.20 1sr2 h LEU 837 Ca -0.07 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1sr2 h LEU 837 Cb 1.54 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.25 1sr2 h LEU 837 CO 0.15 0.17 0.35 0.00 -1.08 0.00 0.00 178.44 178.03 1sr2 h ALA 838 N 1.24 0.75 -0.23 1.53 0.00 -0.53 0.19 119.26 122.20 1sr2 h ALA 838 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sr2 h ALA 838 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sr2 h ALA 838 CO -0.16 0.24 0.12 1.96 0.00 0.00 0.00 179.25 181.41 1sr2 h GLN 839 N 0.79 0.33 -0.76 0.00 1.08 -0.86 0.11 115.11 115.80 1sr2 h GLN 839 Ca 0.21 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1sr2 h GLN 839 Cb -0.01 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1sr2 h GLN 839 CO -0.04 0.31 0.26 1.15 -0.95 0.00 0.00 178.83 179.56 1sr2 h THR 840 N 0.26 1.26 -0.60 -0.54 2.02 -0.21 0.18 112.91 115.29 1sr2 h THR 840 Ca 0.08 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1sr2 h THR 840 Cb 0.08 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1sr2 h THR 840 CO -0.01 0.36 0.19 0.00 0.37 0.00 0.00 175.52 176.43 1sr2 h ALA 841 N 1.13 1.21 -0.53 6.16 0.00 -0.44 0.20 119.26 127.00 1sr2 h ALA 841 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sr2 h ALA 841 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sr2 h ALA 841 CO -0.01 0.56 0.06 1.25 0.00 0.00 0.00 179.25 181.10 1sr2 h HIS 842 N 0.88 0.97 -0.44 0.00 6.17 -0.02 0.27 115.15 122.97 1sr2 h HIS 842 Ca 0.20 -0.15 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 1sr2 h HIS 842 Cb 0.24 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.90 1sr2 h HIS 842 CO 0.02 0.87 0.11 -0.09 0.71 0.00 0.00 177.93 179.55 1sr2 h ARG 843 N 0.78 0.71 -0.56 5.26 2.43 -0.13 -0.88 114.38 121.99 1sr2 h ARG 843 Ca 0.16 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1sr2 h ARG 843 Cb 0.45 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1sr2 h ARG 843 CO 0.02 0.71 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.08 1sr2 h LEU 844 N 0.58 0.98 -0.61 3.80 3.38 -0.44 0.36 115.31 123.35 1sr2 h LEU 844 Ca 0.14 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 844 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1sr2 h LEU 844 CO 0.00 1.05 0.37 0.50 0.09 0.00 0.00 178.44 180.46 1sr2 h LYS 845 N 0.91 0.71 -0.20 1.13 3.64 -0.29 -1.20 116.57 121.26 1sr2 h LYS 845 Ca 0.16 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1sr2 h LYS 845 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1sr2 h LYS 845 CO 0.03 0.47 -0.05 0.78 -2.27 0.00 0.00 179.45 178.42 1sr2 h GLY 846 N 0.74 0.42 1.18 5.01 0.00 -0.63 -1.67 103.07 108.12 1sr2 h GLY 846 Ca 0.25 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1sr2 h GLY 846 CO -0.10 0.32 -0.16 -0.39 0.00 0.00 0.00 176.54 176.21 1sr2 h VAL 847 N 0.11 1.27 -0.38 4.60 -1.51 -0.83 0.73 116.25 120.24 1sr2 h VAL 847 Ca 0.05 -1.31 -0.14 0.00 -1.23 0.00 0.00 66.70 64.07 1sr2 h VAL 847 Cb 0.50 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1sr2 h VAL 847 CO 0.02 0.45 -0.31 -0.26 -1.23 0.00 0.00 177.57 176.24 1sr2 h PHE 848 N 0.83 1.04 -0.77 5.19 0.04 -1.24 0.11 116.94 122.14 1sr2 h PHE 848 Ca 0.12 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1sr2 h PHE 848 Cb 0.71 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 1sr2 h PHE 848 CO 0.04 1.10 0.40 0.00 -0.60 0.00 0.00 178.31 179.25 1sr2 h ALA 849 N 0.77 1.26 -0.48 2.45 0.00 -1.14 0.45 119.26 122.57 1sr2 h ALA 849 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1sr2 h ALA 849 Cb 0.90 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1sr2 h ALA 849 CO 0.08 0.59 0.17 1.98 0.00 0.00 0.00 179.25 182.07 1sr2 h MET 850 N 1.08 0.74 0.00 0.00 1.85 -0.47 -2.34 114.93 115.79 1sr2 h MET 850 Ca 0.27 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1sr2 h MET 850 Cb 0.06 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1sr2 h MET 850 CO -0.04 0.69 0.00 1.28 -0.40 0.00 0.00 176.91 178.44 1sr2 n LEU 851 N -4.53 0.12 0.00 3.39 4.77 0.33 -4.86 117.00 116.22 1sr2 n LEU 851 Ca 0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1sr2 n LEU 851 Cb 0.18 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1sr2 n LEU 851 CO 0.38 -0.18 0.00 0.59 -1.33 0.00 0.00 177.39 176.86 1sr2 n ASN 852 N -1.63 -2.90 -4.48 -1.43 3.02 0.20 -4.70 115.26 103.34 1sr2 n ASN 852 Ca 0.05 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.16 1sr2 n ASN 852 Cb 0.26 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 4.82 0.11 3.41 1.43 0.13 -4.86 118.68 123.72 1sr2 s LEU 853 Ca 0.00 -2.85 -0.25 0.00 -1.03 0.00 0.00 54.13 50.00 1sr2 s LEU 853 Cb 0.00 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 1sr2 s LEU 853 CO 0.00 -0.84 1.67 0.58 0.23 0.00 0.00 176.35 177.99 1sr2 h VAL 854 N 4.88 0.62 -0.50 -1.59 2.07 -1.93 -0.33 116.25 119.46 1sr2 h VAL 854 Ca 0.33 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.94 1sr2 h VAL 854 Cb 0.88 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1sr2 h VAL 854 CO 1.28 0.00 0.09 -0.65 0.02 0.00 0.00 177.57 178.31 1sr2 h PRO 855 N -0.30 0.21 -0.37 1.57 0.11 -1.97 0.41 132.00 131.66 1sr2 h PRO 855 Ca 0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1sr2 h PRO 855 Cb 0.34 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1sr2 h PRO 855 CO -0.11 0.14 0.19 0.78 -0.21 0.00 0.00 178.00 178.79 1sr2 h GLY 856 N 0.22 0.56 1.19 -0.55 0.00 -1.91 -1.35 103.07 101.23 1sr2 h GLY 856 Ca 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1sr2 h GLY 856 CO -0.34 0.25 0.26 1.70 0.00 0.00 0.00 176.54 178.41 1sr2 h LYS 857 N 0.46 1.03 -0.47 4.80 3.11 -0.38 -1.71 116.57 123.42 1sr2 h LYS 857 Ca 0.13 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1sr2 h LYS 857 Cb 0.08 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1sr2 h LYS 857 CO -0.02 0.85 0.17 0.37 -2.81 0.00 0.00 179.45 178.01 1sr2 h GLN 858 N 1.01 0.68 -0.41 1.90 4.15 0.11 0.17 115.11 122.72 1sr2 h GLN 858 Ca 0.23 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1sr2 h GLN 858 Cb 0.22 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1sr2 h GLN 858 CO -0.02 0.57 0.19 -0.07 -1.93 0.00 0.00 178.83 177.58 1sr2 h LEU 859 N 0.67 0.54 -0.97 -2.39 3.38 -0.39 0.05 115.31 116.20 1sr2 h LEU 859 Ca 0.16 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1sr2 h LEU 859 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 859 CO -0.01 0.52 0.10 0.00 0.09 0.00 0.00 178.44 179.14 1sr2 h GLU 861 N 0.81 0.49 -0.27 0.00 5.08 -0.32 0.81 114.58 121.19 1sr2 h GLU 861 Ca 0.17 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1sr2 h GLU 861 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1sr2 h GLU 861 CO 0.00 0.49 -0.22 1.15 -1.00 0.00 0.00 179.01 179.43 1sr2 h THR 862 N 0.38 1.26 -0.27 1.13 2.02 -0.73 -1.89 112.91 114.81 1sr2 h THR 862 Ca 0.11 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1sr2 h THR 862 Cb 0.18 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1sr2 h THR 862 CO -0.01 0.38 0.17 0.25 0.37 0.00 0.00 175.52 176.68 1sr2 h LEU 863 N 0.44 0.31 -0.64 2.58 6.46 -0.07 0.26 115.31 124.65 1sr2 h LEU 863 Ca 0.07 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1sr2 h LEU 863 Cb 0.62 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.40 1sr2 h LEU 863 CO 0.04 0.25 0.28 -0.08 -0.62 0.00 0.00 178.44 178.32 1sr2 h GLU 864 N 0.34 0.48 -0.50 1.25 4.81 -0.55 0.39 114.58 120.80 1sr2 h GLU 864 Ca 0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1sr2 h GLU 864 Cb -0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1sr2 h GLU 864 CO -0.02 0.32 0.26 1.25 -0.73 0.00 0.00 179.01 180.09 1sr2 h HIS 865 N 0.50 0.71 -0.42 0.92 2.76 -0.80 0.22 115.15 119.04 1sr2 h HIS 865 Ca 0.32 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 1sr2 h HIS 865 Cb 0.35 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1sr2 h HIS 865 CO -0.14 0.55 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.86 1sr2 h LEU 866 N 0.67 0.74 -0.37 0.26 3.38 0.45 -1.49 115.31 118.95 1sr2 h LEU 866 Ca 0.18 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1sr2 h LEU 866 Cb 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sr2 h LEU 866 CO -0.02 0.88 -0.43 0.40 0.09 0.00 0.00 178.44 179.35 1sr2 h ILE 867 N 0.69 1.27 -0.29 1.22 2.04 0.05 0.13 117.51 122.62 1sr2 h ILE 867 Ca 0.12 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.32 1sr2 h ILE 867 Cb 0.58 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1sr2 h ILE 867 CO 0.04 0.53 -0.05 0.08 0.00 0.00 0.00 178.15 178.75 1sr2 h ARG 868 N 0.74 0.45 -0.11 2.37 -0.00 -0.30 -1.63 114.38 115.90 1sr2 h ARG 868 Ca 0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1sr2 h ARG 868 Cb 1.03 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.94 1sr2 h ARG 868 CO 0.10 0.52 0.00 -0.85 -0.00 0.00 0.00 179.97 179.74 1sr2 n GLU 869 N -4.27 2.14 -3.08 0.08 0.28 -0.58 -4.96 120.64 110.26 1sr2 n GLU 869 Ca 0.01 -1.68 -0.21 0.00 -0.16 0.00 0.00 57.16 55.11 1sr2 n GLU 869 Cb 0.26 -1.47 0.04 0.00 1.43 0.00 0.00 31.44 31.70 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 0.99 -5.18 -2.59 3.44 4.76 0.20 -4.90 118.16 114.88 1sr2 n LYS 870 Ca 0.16 0.85 -0.43 0.00 -2.87 0.00 0.00 58.31 56.03 1sr2 n LYS 870 Cb 0.52 -5.64 0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1sr2 n LYS 870 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sr2 n ASP 871 N -2.37 4.95 -0.10 4.39 -0.08 0.15 -4.86 116.55 118.63 1sr2 n ASP 871 Ca -0.09 -2.92 -0.08 0.00 -1.51 0.00 0.00 54.79 50.19 1sr2 n ASP 871 Cb 0.60 -1.74 -0.01 0.00 2.34 0.00 0.00 41.12 42.31 1sr2 n ASP 871 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1sr2 h VAL 872 N 5.50 0.27 -1.01 5.18 2.07 -1.91 0.20 116.25 126.56 1sr2 h VAL 872 Ca 0.44 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.06 1sr2 h VAL 872 Cb 0.87 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1sr2 h VAL 872 CO 1.45 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 179.03 1sr2 h PRO 873 N -0.25 1.05 -0.37 1.57 0.11 -1.99 -1.16 132.00 130.96 1sr2 h PRO 873 Ca 0.17 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1sr2 h PRO 873 Cb 0.52 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1sr2 h PRO 873 CO -0.50 0.70 -0.29 0.78 -0.21 0.00 0.00 178.00 178.47 1sr2 h GLY 874 N 1.08 0.86 0.92 -0.55 0.00 -1.58 -1.93 103.07 101.87 1sr2 h GLY 874 Ca 0.47 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1sr2 h GLY 874 CO -0.22 0.72 -0.24 -2.22 0.00 0.00 0.00 176.54 174.58 1sr2 h ILE 875 N 0.68 0.49 -0.90 2.60 2.04 0.24 -0.65 117.51 122.00 1sr2 h ILE 875 Ca 0.08 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1sr2 h ILE 875 Cb 0.83 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1sr2 h ILE 875 CO 0.07 0.03 0.48 1.05 0.00 0.00 0.00 178.15 179.78 1sr2 h GLU 876 N -0.77 1.26 -0.74 2.37 4.11 -1.28 0.10 114.58 119.63 1sr2 h GLU 876 Ca -0.07 -0.15 0.01 0.00 0.07 0.00 0.00 59.36 59.21 1sr2 h GLU 876 Cb 0.56 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1sr2 h GLU 876 CO 0.11 0.93 0.49 -0.22 0.07 0.00 0.00 179.01 180.39 1sr2 h LYS 877 N 1.26 0.97 -0.08 1.06 3.11 -1.28 -1.93 116.57 119.68 1sr2 h LYS 877 Ca 0.31 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.98 1sr2 h LYS 877 Cb 0.04 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1sr2 h LYS 877 CO -0.05 0.65 -0.47 1.88 -2.81 0.00 0.00 179.45 178.65 1sr2 h TYR 878 N 1.00 0.23 -0.45 1.91 -1.99 -0.26 0.66 116.97 118.07 1sr2 h TYR 878 Ca 0.27 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1sr2 h TYR 878 Cb -0.11 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1sr2 h TYR 878 CO -0.02 0.63 0.28 0.82 -0.00 0.00 0.00 178.16 179.87 1sr2 h ILE 879 N 0.16 1.13 0.00 -2.88 2.04 -0.44 0.30 117.51 117.83 1sr2 h ILE 879 Ca 0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1sr2 h ILE 879 Cb 0.89 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1sr2 h ILE 879 CO 0.07 0.13 -0.40 0.77 0.00 0.00 0.00 178.15 178.72 1sr2 h SER 880 N 0.61 0.00 -0.30 1.72 4.64 -0.99 -0.29 113.55 118.94 1sr2 h SER 880 Ca 0.16 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.32 1sr2 h SER 880 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1sr2 h SER 880 CO -0.03 0.40 -0.44 -0.78 -0.87 0.00 0.00 176.83 175.11 1sr2 h ASP 881 N 0.00 0.94 0.09 4.97 1.82 -0.11 0.31 116.42 124.44 1sr2 h ASP 881 Ca -0.00 -0.45 -0.09 0.00 -0.39 0.00 0.00 57.03 56.09 1sr2 h ASP 881 Cb 0.76 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1sr2 h ASP 881 CO 0.05 1.24 -0.31 0.40 -1.61 0.00 0.00 179.24 179.01 1sr2 h ILE 882 N 0.70 1.27 -0.06 2.25 2.04 -0.20 0.08 117.51 123.59 1sr2 h ILE 882 Ca 0.04 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1sr2 h ILE 882 Cb 1.03 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1sr2 h ILE 882 CO 0.10 0.40 -0.05 -0.78 0.00 0.00 0.00 178.15 177.82 1sr2 h ASP 883 N 0.29 0.14 -0.74 1.72 1.82 -0.60 -1.10 116.42 117.94 1sr2 h ASP 883 Ca 0.04 -0.47 -0.05 0.00 -0.39 0.00 0.00 57.03 56.15 1sr2 h ASP 883 Cb 0.69 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 1sr2 h ASP 883 CO 0.05 0.59 0.26 0.77 -1.61 0.00 0.00 179.24 179.30 1sr2 h SER 884 N -0.30 1.06 -0.27 2.28 4.64 -0.37 0.56 113.55 121.15 1sr2 h SER 884 Ca 0.01 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1sr2 h SER 884 Cb 0.55 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 1sr2 h SER 884 CO 0.01 0.97 -0.41 0.22 -0.87 0.00 0.00 176.83 176.75 1sr2 h TYR 885 N 1.09 -1.19 -0.39 4.77 3.20 -0.87 -1.51 116.97 122.07 1sr2 h TYR 885 Ca 0.24 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 1sr2 h TYR 885 Cb 0.27 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1sr2 h TYR 885 CO 0.02 -0.45 -0.19 0.28 -1.64 0.00 0.00 178.16 176.18 1sr2 h VAL 886 N -0.40 1.27 -0.93 1.81 2.07 -0.68 -0.48 116.25 118.90 1sr2 h VAL 886 Ca 0.11 -1.28 0.09 0.00 0.82 0.00 0.00 66.70 66.45 1sr2 h VAL 886 Cb 0.60 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1sr2 h VAL 886 CO -0.48 0.43 0.57 0.11 0.02 0.00 0.00 177.57 178.22 1sr2 h LYS 887 N 0.66 0.94 0.00 1.57 1.79 0.68 -0.79 116.57 121.42 1sr2 h LYS 887 Ca 0.10 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 1sr2 h LYS 887 Cb 0.68 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1sr2 h LYS 887 CO 0.05 0.62 -1.32 -1.13 -1.08 0.00 0.00 179.45 176.59 1sr2 n SER 888 N -4.63 0.79 0.11 0.86 3.41 -0.62 -4.11 113.62 109.43 1sr2 n SER 888 Ca 0.16 0.33 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1sr2 n SER 888 Cb 0.28 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1sr2 n SER 888 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sr2 h LEU 889 N 0.00 0.00 -0.91 1.04 4.07 -0.70 -3.52 115.31 115.30 1sr2 h LEU 889 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1sr2 h LEU 889 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1sr2 h LEU 889 CO 0.03 0.58 0.00 0.00 -1.08 0.00 0.00 178.44 177.97