#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqs s GLU 779 N 0.00 4.25 0.27 1.43 2.02 -1.12 -4.84 118.70 120.71 1pqs s GLU 779 Ca 0.00 1.92 -0.29 0.00 0.02 0.00 0.00 54.97 56.62 1pqs s GLU 779 Cb 0.00 -3.73 -0.09 0.00 0.10 0.00 0.00 34.13 30.41 1pqs s GLU 779 CO 0.00 -0.67 1.01 -1.50 0.02 0.00 0.00 175.26 174.12 1pqs s ILE 780 N 3.09 3.83 0.05 -1.63 -1.16 -1.26 -3.56 121.20 120.55 1pqs s ILE 780 Ca 0.63 1.78 0.06 0.00 -0.51 0.00 0.00 60.65 62.62 1pqs s ILE 780 Cb -0.29 -4.11 -0.02 0.00 0.61 0.00 0.00 42.46 38.65 1pqs s ILE 780 CO 0.24 0.38 -0.17 0.12 -2.81 0.00 0.00 174.94 172.69 1pqs s PHE 781 N -1.25 1.49 -0.09 3.50 5.36 0.40 -4.95 117.98 122.45 1pqs s PHE 781 Ca 0.44 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 1pqs s PHE 781 Cb -0.27 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.54 1pqs s PHE 781 CO 0.34 0.07 -0.15 0.95 -1.46 0.00 0.00 175.22 174.97 1pqs s THR 782 N -0.87 1.41 -0.04 0.12 -4.23 -1.26 0.39 115.64 111.16 1pqs s THR 782 Ca 0.04 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1pqs s THR 782 Cb -0.08 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.51 1pqs s THR 782 CO 0.02 0.42 0.32 -0.22 -0.54 0.00 0.00 174.62 174.61 1pqs s LEU 783 N 0.73 0.81 -0.21 4.79 2.96 0.61 -4.98 118.68 123.40 1pqs s LEU 783 Ca -0.13 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1pqs s LEU 783 Cb -0.16 1.24 0.05 0.00 0.50 0.00 0.00 46.19 47.83 1pqs s LEU 783 CO 0.03 -0.37 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.40 1pqs s LEU 784 N -0.97 2.27 -0.22 -0.68 2.96 -1.26 -0.08 118.68 120.70 1pqs s LEU 784 Ca -0.10 -0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 52.55 1pqs s LEU 784 Cb -0.05 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 1pqs s LEU 784 CO 0.03 -0.19 1.92 0.68 -1.32 0.00 0.00 176.35 177.47 1pqs s VAL 785 N 1.44 3.32 0.31 1.68 -7.23 -1.17 -4.84 120.40 113.91 1pqs s VAL 785 Ca -0.03 0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 1pqs s VAL 785 Cb -0.17 -3.37 0.16 0.00 0.56 0.00 0.00 36.38 33.56 1pqs s VAL 785 CO -0.07 -0.20 1.86 -0.33 -0.31 0.00 0.00 175.10 176.05 1pqs h GLU 786 N 12.82 0.70 0.00 4.82 5.08 -1.98 -3.47 114.58 132.54 1pqs h GLU 786 Ca -0.38 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1pqs h GLU 786 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1pqs h GLU 786 CO 0.99 0.65 0.00 0.36 -1.00 0.00 0.00 179.01 180.01 1pqs n LYS 787 N -4.29 0.00 -1.66 2.33 0.00 -1.26 -5.11 118.16 108.18 1pqs n LYS 787 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.91 1pqs n LYS 787 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.22 1pqs n LYS 787 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1pqs n VAL 788 N 0.00 0.72 -4.02 0.58 0.31 -1.26 -4.96 118.33 109.71 1pqs n VAL 788 Ca 0.00 -0.15 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 1pqs n VAL 788 Cb 0.00 -2.27 -0.14 0.00 -0.91 0.00 0.00 33.84 30.52 1pqs n VAL 788 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1pqs s TRP 789 N 4.65 2.97 -0.01 3.52 0.51 -1.26 -4.99 118.94 124.33 1pqs s TRP 789 Ca 0.90 -0.76 -0.01 0.00 -2.12 0.00 0.00 56.10 54.11 1pqs s TRP 789 Cb -0.47 -2.08 -0.04 0.00 -0.81 0.00 0.00 33.47 30.07 1pqs s TRP 789 CO 0.43 -0.43 2.29 -1.71 -0.51 0.00 0.00 176.95 177.02 1pqs n ASN 790 N 4.55 5.36 0.00 2.95 5.15 -1.26 -4.78 115.26 127.24 1pqs n ASN 790 Ca -0.18 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 1pqs n ASN 790 Cb 0.51 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1pqs n PHE 791 N 1.64 0.00 -0.18 1.20 7.35 -1.26 -4.47 117.46 121.74 1pqs n PHE 791 Ca 0.08 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.70 1pqs n PHE 791 Cb 0.58 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.43 1pqs n PHE 791 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1pqs h ASP 792 N 0.00 0.67 -0.32 -2.13 3.32 -1.98 0.42 116.42 116.39 1pqs h ASP 792 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1pqs h ASP 792 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1pqs h ASP 792 CO 0.00 0.57 0.21 0.44 -1.72 0.00 0.00 179.24 178.74 1pqs h ASP 793 N 0.71 0.36 -0.01 6.45 5.19 -1.90 0.25 116.42 127.46 1pqs h ASP 793 Ca 0.19 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1pqs h ASP 793 Cb 0.06 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 1pqs h ASP 793 CO -0.03 0.26 -0.02 0.25 -3.12 0.00 0.00 179.24 176.58 1pqs h LEU 794 N 0.42 -0.05 -0.79 1.55 5.85 -1.76 -0.69 115.31 119.85 1pqs h LEU 794 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1pqs h LEU 794 Cb -0.04 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1pqs h LEU 794 CO -0.03 -0.02 -0.10 0.40 -0.34 0.00 0.00 178.44 178.35 1pqs h ILE 795 N -0.02 1.26 -0.53 4.05 1.08 0.10 0.21 117.51 123.65 1pqs h ILE 795 Ca 0.01 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1pqs h ILE 795 Cb 0.04 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 1pqs h ILE 795 CO -0.02 0.40 0.31 0.24 -0.69 0.00 0.00 178.15 178.38 1pqs h MET 796 N 0.73 0.73 -0.64 2.37 2.86 -0.29 0.41 114.93 121.10 1pqs h MET 796 Ca 0.12 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1pqs h MET 796 Cb 0.59 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1pqs h MET 796 CO 0.04 0.55 0.28 0.00 1.06 0.00 0.00 176.91 178.84 1pqs h ALA 797 N 1.14 0.83 0.50 6.32 0.00 -0.76 -0.75 119.26 126.54 1pqs h ALA 797 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pqs h ALA 797 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1pqs h ALA 797 CO -0.03 0.42 -0.42 0.82 0.00 0.00 0.00 179.25 180.04 1pqs h ILE 798 N 0.89 0.15 -0.41 0.00 1.08 0.26 -1.35 117.51 118.13 1pqs h ILE 798 Ca 0.22 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.70 1pqs h ILE 798 Cb 0.17 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 1pqs h ILE 798 CO -0.02 0.00 0.24 0.78 -0.69 0.00 0.00 178.15 178.46 1pqs h ASN 799 N -0.92 0.39 0.19 1.72 -0.26 -0.08 0.28 115.58 116.91 1pqs h ASN 799 Ca -0.05 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 1pqs h ASN 799 Cb 0.79 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1pqs h ASN 799 CO -0.02 0.28 -0.10 -1.28 -1.06 0.00 0.00 177.43 175.25 1pqs h SER 800 N 0.49 -0.24 -0.28 5.81 0.87 -1.07 -1.55 113.55 117.59 1pqs h SER 800 Ca 0.16 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 1pqs h SER 800 Cb 0.00 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1pqs h SER 800 CO -0.07 -0.17 -0.28 0.11 -0.53 0.00 0.00 176.83 175.89 1pqs h LYS 801 N -0.27 0.78 -0.86 2.24 1.57 -1.05 0.20 116.57 119.18 1pqs h LYS 801 Ca -0.02 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1pqs h LYS 801 Cb 0.22 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1pqs h LYS 801 CO 0.04 0.97 0.55 0.82 -0.57 0.00 0.00 179.45 181.25 1pqs h ILE 802 N 0.67 1.10 -0.18 1.86 1.08 -0.32 -1.74 117.51 119.98 1pqs h ILE 802 Ca 0.08 -0.36 -0.21 0.00 -0.39 0.00 0.00 64.86 63.98 1pqs h ILE 802 Cb 0.81 -0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1pqs h ILE 802 CO 0.07 0.19 -0.72 -1.28 -0.69 0.00 0.00 178.15 175.72 1pqs h SER 803 N 1.05 0.94 0.00 1.72 0.87 -1.08 -3.28 113.55 113.76 1pqs h SER 803 Ca 0.36 -0.61 -0.57 0.00 -1.23 0.00 0.00 61.79 59.74 1pqs h SER 803 Cb 0.07 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1pqs h SER 803 CO -0.14 1.40 3.36 -3.20 -0.53 0.00 0.00 176.83 177.71 1pqs n ASN 804 N -3.97 7.49 0.00 6.23 4.05 0.68 -2.87 115.26 126.87 1pqs n ASN 804 Ca -0.07 -2.49 0.00 0.00 0.45 0.00 0.00 54.58 52.47 1pqs n ASN 804 Cb 0.72 -1.41 0.00 0.00 1.23 0.00 0.00 39.78 40.32 1pqs n ASN 804 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1pqs n THR 805 N 3.74 0.00 -0.41 -0.44 5.66 -1.24 -4.87 114.28 116.71 1pqs n THR 805 Ca 0.67 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.67 1pqs n THR 805 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1pqs n THR 805 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1pqs n HIS 806 N -0.83 0.00 -0.12 1.09 8.25 -1.14 -5.06 115.22 117.41 1pqs n HIS 806 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1pqs n HIS 806 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1pqs n HIS 806 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pqs n ASN 807 N 0.00 1.94 -4.56 0.41 5.15 -1.26 -4.98 115.26 111.97 1pqs n ASN 807 Ca 0.00 0.35 -0.24 0.00 -0.60 0.00 0.00 54.58 54.09 1pqs n ASN 807 Cb 0.00 -0.79 -0.09 0.00 -0.53 0.00 0.00 39.78 38.37 1pqs n ASN 807 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pqs s ASN 808 N -6.74 4.07 -0.10 1.20 6.03 -1.26 -4.99 114.94 113.15 1pqs s ASN 808 Ca -0.34 -0.81 -0.29 0.00 -1.03 0.00 0.00 52.86 50.39 1pqs s ASN 808 Cb 0.10 -0.58 -0.06 0.00 -3.03 0.00 0.00 41.25 37.67 1pqs s ASN 808 CO 0.46 0.03 2.03 0.21 -2.03 0.00 0.00 177.10 177.80 1pqs s ASN 809 N -3.50 6.01 0.02 3.54 3.84 -1.26 -4.74 114.94 118.85 1pqs s ASN 809 Ca 0.30 2.21 -0.17 0.00 0.21 0.00 0.00 52.86 55.41 1pqs s ASN 809 Cb -0.06 -2.52 -0.30 0.00 -0.55 0.00 0.00 41.25 37.81 1pqs s ASN 809 CO 0.17 -1.47 1.04 0.40 -2.79 0.00 0.00 177.10 174.45 1pqs h ILE 810 N 6.35 1.34 -2.15 -5.21 1.08 -1.92 -3.49 117.51 113.51 1pqs h ILE 810 Ca -0.44 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.55 1pqs h ILE 810 Cb 1.23 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.83 1pqs h ILE 810 CO 0.96 0.74 -0.55 -1.20 -0.69 0.00 0.00 178.15 177.40 1pqs n SER 811 N -3.89 -4.93 -0.11 1.72 7.64 -1.26 -4.51 113.62 108.27 1pqs n SER 811 Ca -0.14 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1pqs n SER 811 Cb 0.95 -2.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 1pqs n SER 811 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pqs n PRO 812 N -2.01 0.83 0.00 1.43 -0.04 -1.26 -4.86 135.00 129.09 1pqs n PRO 812 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pqs n PRO 812 Cb 0.25 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1pqs n PRO 812 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1pqs n ILE 813 N -0.37 0.00 0.00 0.52 2.08 -1.26 -2.84 119.36 117.50 1pqs n ILE 813 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1pqs n ILE 813 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 1pqs n ILE 813 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1pqs n THR 814 N 0.00 0.00 -3.18 1.39 5.66 -1.26 -5.14 114.28 111.75 1pqs n THR 814 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1pqs n THR 814 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1pqs n THR 814 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pqs s LYS 815 N 0.00 4.16 0.03 1.09 3.01 -1.13 -4.98 119.74 121.92 1pqs s LYS 815 Ca 0.00 0.75 -0.09 0.00 -1.01 0.00 0.00 55.97 55.61 1pqs s LYS 815 Cb 0.00 -2.87 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 1pqs s LYS 815 CO 0.00 0.41 0.18 0.96 0.51 0.00 0.00 175.35 177.41 1pqs s ILE 816 N -1.53 0.10 0.05 2.17 -4.36 -1.25 -4.43 121.20 111.95 1pqs s ILE 816 Ca 0.42 -0.83 0.06 0.00 -0.26 0.00 0.00 60.65 60.04 1pqs s ILE 816 Cb -0.16 -0.78 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 1pqs s ILE 816 CO 0.20 -0.46 -0.17 -0.54 0.24 0.00 0.00 174.94 174.21 1pqs s LYS 817 N -2.21 1.10 0.05 0.37 1.02 -0.51 -2.42 119.74 117.15 1pqs s LYS 817 Ca -0.08 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1pqs s LYS 817 Cb -0.03 -1.17 -0.03 0.00 -0.52 0.00 0.00 37.83 36.08 1pqs s LYS 817 CO -0.02 0.29 -0.18 1.52 -0.92 0.00 0.00 175.35 176.04 1pqs s TYR 818 N -0.89 1.60 0.03 3.18 -0.85 0.28 -0.23 117.35 120.46 1pqs s TYR 818 Ca 0.04 -0.38 0.06 0.00 -0.52 0.00 0.00 57.07 56.27 1pqs s TYR 818 Cb -0.08 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.30 1pqs s TYR 818 CO 0.02 0.09 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.83 1pqs s GLN 819 N -1.28 1.16 -0.04 -3.49 0.74 -0.10 -1.15 119.66 115.50 1pqs s GLN 819 Ca 0.05 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.74 1pqs s GLN 819 Cb -0.09 -1.19 -0.00 0.00 1.10 0.00 0.00 33.01 32.82 1pqs s GLN 819 CO 0.02 0.31 -0.17 0.16 -0.55 0.00 0.00 175.29 175.05 1pqs s ASP 820 N -0.94 2.14 -1.54 6.67 -4.77 -1.06 -1.61 116.67 115.56 1pqs s ASP 820 Ca 0.05 -0.35 0.00 0.00 -3.30 0.00 0.00 52.55 48.95 1pqs s ASP 820 Cb -0.08 -0.54 0.00 0.00 -1.09 0.00 0.00 42.92 41.21 1pqs s ASP 820 CO 0.01 0.16 0.00 1.21 0.70 0.00 0.00 175.17 177.25 1pqs n GLU 821 N 3.07 -1.69 -4.02 2.11 4.07 -1.09 -1.06 120.64 122.03 1pqs n GLU 821 Ca -0.18 0.87 -0.32 0.00 -0.06 0.00 0.00 57.16 57.47 1pqs n GLU 821 Cb 0.53 -5.34 0.01 0.00 -0.06 0.00 0.00 31.44 26.58 1pqs n GLU 821 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1pqs n ASP 822 N -1.41 -4.35 0.00 4.31 2.03 -1.26 -4.82 116.55 111.04 1pqs n ASP 822 Ca -0.18 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1pqs n ASP 822 Cb 0.59 -3.52 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 1pqs n ASP 822 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pqs n GLY 823 N -1.60 0.00 3.20 0.27 0.00 -0.22 -5.11 105.19 101.73 1pqs n GLY 823 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1pqs n GLY 823 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqs s ASP 824 N -3.56 1.99 -0.07 1.61 1.01 -1.19 -4.98 116.67 111.48 1pqs s ASP 824 Ca 0.00 -0.54 0.04 0.00 0.71 0.00 0.00 52.55 52.76 1pqs s ASP 824 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1pqs s ASP 824 CO 0.00 0.05 -0.18 0.12 0.21 0.00 0.00 175.17 175.36 1pqs s PHE 825 N -0.97 1.93 -0.01 4.23 5.36 -1.26 -2.55 117.98 124.71 1pqs s PHE 825 Ca 0.03 -0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 55.16 1pqs s PHE 825 Cb -0.09 -1.32 0.02 0.00 -0.34 0.00 0.00 43.02 41.30 1pqs s PHE 825 CO 0.02 -0.28 0.33 0.54 -1.46 0.00 0.00 175.22 174.37 1pqs s VAL 826 N 0.32 0.06 -0.06 3.12 0.11 -0.30 -4.98 120.40 118.68 1pqs s VAL 826 Ca -0.12 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1pqs s VAL 826 Cb -0.15 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1pqs s VAL 826 CO 0.05 -0.27 -0.23 0.54 -3.33 0.00 0.00 175.10 171.86 1pqs s VAL 827 N -1.52 1.91 0.06 2.04 0.11 -1.26 0.99 120.40 122.73 1pqs s VAL 827 Ca -0.12 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1pqs s VAL 827 Cb -0.04 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1pqs s VAL 827 CO 0.03 0.53 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.82 1pqs s LEU 828 N -0.06 2.48 0.00 2.54 -0.00 -1.02 -4.96 118.68 117.66 1pqs s LEU 828 Ca -0.05 -0.97 0.00 0.00 -0.00 0.00 0.00 54.13 53.10 1pqs s LEU 828 Cb -0.14 0.15 0.00 0.00 -0.00 0.00 0.00 46.19 46.21 1pqs s LEU 828 CO 0.04 -0.56 0.00 0.61 -0.00 0.00 0.00 176.35 176.44 1pqs n GLY 829 N 0.17 0.00 1.02 -3.48 0.00 -1.26 -3.96 105.19 97.68 1pqs n GLY 829 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pqs n GLY 829 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pqs n SER 830 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.10 113.62 111.75 1pqs n SER 830 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pqs n SER 830 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1pqs n SER 830 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pqs n ASP 831 N -1.76 0.00 -0.19 -3.46 2.03 -1.26 -4.97 116.55 106.94 1pqs n ASP 831 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1pqs n ASP 831 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1pqs h GLU 832 N 0.00 0.65 -0.33 -0.67 4.81 -1.98 0.42 114.58 117.48 1pqs h GLU 832 Ca 0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1pqs h GLU 832 Cb 0.00 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1pqs h GLU 832 CO 0.00 0.43 0.12 0.38 -0.73 0.00 0.00 179.01 179.20 1pqs h ASP 833 N 0.67 0.13 -0.44 1.04 3.04 -1.96 0.21 116.42 119.10 1pqs h ASP 833 Ca 0.23 0.03 -0.09 0.00 -3.24 0.00 0.00 57.03 53.96 1pqs h ASP 833 Cb 0.03 0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.32 1pqs h ASP 833 CO -0.10 0.11 -0.06 -0.25 -2.04 0.00 0.00 179.24 176.90 1pqs h TRP 834 N 0.26 0.96 -0.79 4.15 -0.00 -1.77 -1.45 115.95 117.30 1pqs h TRP 834 Ca 0.15 -0.17 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1pqs h TRP 834 Cb 0.12 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 28.98 1pqs h TRP 834 CO -0.14 0.90 0.51 -0.91 -0.00 0.00 0.00 178.44 178.80 1pqs h ASN 835 N 0.80 0.87 -0.46 2.65 2.35 0.61 0.43 115.58 122.82 1pqs h ASN 835 Ca 0.14 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1pqs h ASN 835 Cb 0.56 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1pqs h ASN 835 CO 0.03 0.62 0.30 0.58 -1.65 0.00 0.00 177.43 177.31 1pqs h VAL 836 N 1.03 1.10 0.10 2.81 2.07 -0.14 0.26 116.25 123.48 1pqs h VAL 836 Ca 0.30 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1pqs h VAL 836 Cb -0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1pqs h VAL 836 CO -0.09 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.50 1pqs h ALA 837 N 1.18 -0.21 -0.31 1.67 0.00 -0.39 0.26 119.26 121.46 1pqs h ALA 837 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1pqs h ALA 837 Cb -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pqs h ALA 837 CO -0.05 -0.64 0.15 0.87 0.00 0.00 0.00 179.25 179.58 1pqs h LYS 838 N -0.24 0.31 -0.64 0.00 1.57 -0.64 0.11 116.57 117.04 1pqs h LYS 838 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1pqs h LYS 838 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1pqs h LYS 838 CO -0.05 0.20 0.24 0.93 -0.57 0.00 0.00 179.45 180.21 1pqs h GLU 839 N 0.32 0.96 0.04 3.15 5.08 -0.75 0.15 114.58 123.53 1pqs h GLU 839 Ca 0.13 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1pqs h GLU 839 Cb 0.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1pqs h GLU 839 CO -0.10 0.82 -0.16 1.98 -1.00 0.00 0.00 179.01 180.55 1pqs h MET 840 N 0.90 -0.28 0.78 2.33 4.05 -0.02 0.30 114.93 123.00 1pqs h MET 840 Ca 0.21 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.61 1pqs h MET 840 Cb 0.23 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1pqs h MET 840 CO -0.01 -0.19 -0.38 -0.07 0.23 0.00 0.00 176.91 176.49 1pqs h LEU 841 N -0.29 -0.89 -0.21 3.39 3.38 -0.52 -1.17 115.31 118.99 1pqs h LEU 841 Ca 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1pqs h LEU 841 Cb 0.34 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pqs h LEU 841 CO -0.13 -0.62 0.07 0.00 0.09 0.00 0.00 178.44 177.85 1pqs h ALA 842 N -0.86 0.28 0.07 1.53 0.00 -0.63 -0.84 119.26 118.81 1pqs h ALA 842 Ca -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pqs h ALA 842 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pqs h ALA 842 CO 0.18 -0.10 -0.03 1.49 0.00 0.00 0.00 179.25 180.79 1pqs h GLU 843 N 0.17 -0.08 0.46 0.00 4.57 -0.46 -3.36 114.58 115.87 1pqs h GLU 843 Ca 0.07 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1pqs h GLU 843 Cb 0.23 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1pqs h GLU 843 CO -0.00 0.32 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.02 1pqs h ASN 844 N -0.52 -0.52 0.00 1.04 -0.26 -1.25 -3.48 115.58 110.59 1pqs h ASN 844 Ca -0.01 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1pqs h ASN 844 Cb 0.45 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1pqs h ASN 844 CO 0.01 -0.10 0.00 -0.46 -1.06 0.00 0.00 177.43 175.82 1pqs n ASN 845 N -5.20 0.00 -4.52 5.81 0.23 -0.37 -5.09 115.26 106.12 1pqs n ASN 845 Ca -0.09 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.64 1pqs n ASN 845 Cb 0.28 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.12 1pqs n ASN 845 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pqs n GLU 846 N 0.00 -0.30 0.00 -3.83 4.71 -0.88 -4.86 120.64 115.48 1pqs n GLU 846 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1pqs n GLU 846 Cb 0.00 -2.08 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 1pqs n GLU 846 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1pqs n LYS 847 N -2.66 0.87 -2.01 3.49 3.00 -1.26 -4.04 118.16 115.54 1pqs n LYS 847 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 1pqs n LYS 847 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 35.03 35.36 1pqs n LYS 847 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1pqs s PHE 848 N -0.58 3.10 0.04 5.64 5.36 -1.26 -3.05 117.98 127.22 1pqs s PHE 848 Ca 0.00 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 56.83 1pqs s PHE 848 Cb 0.00 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 38.82 1pqs s PHE 848 CO 0.00 -2.98 -0.16 -1.17 -1.46 0.00 0.00 175.22 169.45 1pqs s LEU 849 N 0.75 2.16 0.04 6.12 2.96 0.88 -2.68 118.68 128.91 1pqs s LEU 849 Ca 0.66 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 1pqs s LEU 849 Cb -0.42 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 1pqs s LEU 849 CO 0.34 0.08 -0.16 0.20 -1.32 0.00 0.00 176.35 175.49 1pqs s ASN 850 N -1.07 1.89 -0.07 3.68 0.01 -0.63 -0.28 114.94 118.45 1pqs s ASN 850 Ca 0.03 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.75 1pqs s ASN 850 Cb -0.08 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.45 1pqs s ASN 850 CO 0.01 0.08 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.92 1pqs s ILE 851 N -0.80 1.25 -0.21 0.60 -1.09 0.16 -0.93 121.20 120.19 1pqs s ILE 851 Ca 0.03 -0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1pqs s ILE 851 Cb -0.08 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1pqs s ILE 851 CO 0.01 0.38 0.03 -0.60 -1.23 0.00 0.00 174.94 173.54 1pqs s ARG 852 N 0.70 3.69 -0.04 2.79 3.52 0.67 -0.45 118.95 129.84 1pqs s ARG 852 Ca -0.14 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1pqs s ARG 852 Cb -0.16 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1pqs s ARG 852 CO 0.03 0.01 -0.25 -0.48 -0.81 0.00 0.00 175.30 173.80 1pqs s LEU 853 N 1.05 2.09 0.00 -0.88 -0.00 -1.23 -1.42 118.68 118.28 1pqs s LEU 853 Ca 0.03 -0.48 0.00 0.00 -0.00 0.00 0.00 54.13 53.68 1pqs s LEU 853 Cb -0.14 -1.36 0.00 0.00 -0.00 0.00 0.00 46.19 44.68 1pqs s LEU 853 CO 0.02 0.29 0.00 0.00 -0.00 0.00 0.00 176.35 176.66