#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 4.21 0.23 -1.46 2.02 -1.26 -4.65 118.70 117.79 1pqs s GLU 779 Ca 0.00 2.04 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 1pqs s GLU 779 Cb 0.00 -3.83 -0.09 0.00 0.10 0.00 0.00 34.13 30.31 1pqs s GLU 779 CO 0.00 -0.76 1.12 -1.50 0.02 0.00 0.00 175.26 174.15 1pqs s ILE 780 N 3.51 3.62 0.03 -1.63 1.10 -1.26 -3.57 121.20 123.00 1pqs s ILE 780 Ca 0.68 1.49 0.06 0.00 -0.51 0.00 0.00 60.65 62.36 1pqs s ILE 780 Cb -0.31 -3.95 -0.02 0.00 0.15 0.00 0.00 42.46 38.33 1pqs s ILE 780 CO 0.26 0.30 -0.17 0.12 -2.11 0.00 0.00 174.94 173.34 1pqs s PHE 781 N -0.62 1.48 -0.06 3.50 5.36 -0.34 -4.94 117.98 122.36 1pqs s PHE 781 Ca 0.48 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1pqs s PHE 781 Cb -0.31 -0.89 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 1pqs s PHE 781 CO 0.38 0.05 -0.15 -0.08 -1.46 0.00 0.00 175.22 173.95 1pqs s THR 782 N -0.74 1.34 -0.06 0.12 -1.32 -1.26 0.08 115.64 113.80 1pqs s THR 782 Ca 0.05 -0.62 -0.15 0.00 -1.21 0.00 0.00 61.69 59.76 1pqs s THR 782 Cb -0.08 -1.18 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 1pqs s THR 782 CO 0.01 0.40 0.34 -0.22 -2.21 0.00 0.00 174.62 172.94 1pqs s LEU 783 N 0.40 0.72 -0.14 9.08 2.96 0.17 -4.98 118.68 126.88 1pqs s LEU 783 Ca -0.11 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1pqs s LEU 783 Cb -0.14 1.30 0.02 0.00 0.50 0.00 0.00 46.19 47.87 1pqs s LEU 783 CO 0.04 -0.34 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.86 1pqs s LEU 784 N -0.78 1.52 -0.83 -0.68 1.02 -1.26 -0.31 118.68 117.36 1pqs s LEU 784 Ca -0.09 -0.44 -0.08 0.00 0.02 0.00 0.00 54.13 53.54 1pqs s LEU 784 Cb -0.04 -1.05 -0.06 0.00 0.02 0.00 0.00 46.19 45.06 1pqs s LEU 784 CO 0.03 -0.09 2.01 1.33 0.02 0.00 0.00 176.35 179.65 1pqs n VAL 785 N 4.83 2.18 -1.76 -1.59 0.24 -1.24 -4.92 118.33 116.07 1pqs n VAL 785 Ca -0.15 -1.37 -0.38 0.00 -2.04 0.00 0.00 64.34 60.40 1pqs n VAL 785 Cb 0.50 -2.12 0.04 0.00 -1.47 0.00 0.00 33.84 30.79 1pqs n VAL 785 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1pqs s GLU 786 N 3.75 3.13 0.00 7.34 0.41 -1.26 -2.46 118.70 129.61 1pqs s GLU 786 Ca 0.39 2.26 0.00 0.00 -0.41 0.00 0.00 54.97 57.21 1pqs s GLU 786 Cb 0.10 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 1pqs s GLU 786 CO -0.01 -1.21 0.00 0.36 -0.49 0.00 0.00 175.26 173.91 1pqs n LYS 787 N -1.03 -0.43 -2.74 1.61 2.85 -1.26 -3.97 118.16 113.20 1pqs n LYS 787 Ca 0.10 0.11 -0.03 0.00 -1.05 0.00 0.00 58.31 57.44 1pqs n LYS 787 Cb 0.45 -4.41 0.00 0.00 -0.65 0.00 0.00 35.03 30.42 1pqs n LYS 787 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1pqs n VAL 788 N -2.02-11.48 -2.26 0.58 0.31 -1.03 -4.95 118.33 97.48 1pqs n VAL 788 Ca 0.00 1.45 -0.41 0.00 -0.01 0.00 0.00 64.34 65.37 1pqs n VAL 788 Cb 0.11 -7.01 -0.03 0.00 -0.91 0.00 0.00 33.84 25.99 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 -1.97 3.30 0.11 3.52 0.51 -1.25 -4.94 118.94 118.21 1pqs s TRP 789 Ca 0.09 1.30 -0.15 0.00 -2.12 0.00 0.00 56.10 55.23 1pqs s TRP 789 Cb -0.03 -3.55 -0.06 0.00 -0.81 0.00 0.00 33.47 29.02 1pqs s TRP 789 CO 0.76 -1.66 1.47 -0.97 -0.51 0.00 0.00 176.95 176.04 1pqs h ASN 790 N 5.16 0.72 0.00 2.95 -1.24 -1.96 -3.45 115.58 117.76 1pqs h ASN 790 Ca -0.45 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.15 1pqs h ASN 790 Cb 1.21 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1pqs h ASN 790 CO 0.75 0.97 0.00 0.33 -1.29 0.00 0.00 177.43 178.19 1pqs n PHE 791 N -4.34 0.00 -0.12 0.67 7.35 -1.26 -4.82 117.46 114.95 1pqs n PHE 791 Ca -0.03 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1pqs n PHE 791 Cb 0.40 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.49 1pqs n PHE 791 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1pqs h ASP 792 N 0.00 0.71 -0.73 -2.13 2.03 -1.98 0.29 116.42 114.61 1pqs h ASP 792 Ca 0.00 -0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.22 1pqs h ASP 792 Cb 0.00 -0.18 -0.04 0.00 -0.83 0.00 0.00 39.33 38.28 1pqs h ASP 792 CO 0.00 0.62 0.43 0.44 -1.03 0.00 0.00 179.24 179.70 1pqs h ASP 793 N 0.78 0.89 -0.36 4.15 5.19 -1.92 0.43 116.42 125.57 1pqs h ASP 793 Ca 0.19 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1pqs h ASP 793 Cb 0.12 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1pqs h ASP 793 CO -0.02 0.70 0.02 0.25 -3.12 0.00 0.00 179.24 177.07 1pqs h LEU 794 N 1.00 0.61 -0.74 1.55 5.85 -1.53 -1.04 115.31 121.01 1pqs h LEU 794 Ca 0.26 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pqs h LEU 794 Cb -0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1pqs h LEU 794 CO -0.05 0.75 0.49 0.40 -0.34 0.00 0.00 178.44 179.69 1pqs h ILE 795 N 0.45 1.17 -0.67 4.05 1.08 0.08 0.06 117.51 123.74 1pqs h ILE 795 Ca 0.11 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1pqs h ILE 795 Cb 0.43 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 1pqs h ILE 795 CO 0.01 0.18 0.39 0.24 -0.69 0.00 0.00 178.15 178.29 1pqs h MET 796 N 0.98 0.91 -0.65 2.37 2.86 0.10 0.58 114.93 122.09 1pqs h MET 796 Ca 0.28 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1pqs h MET 796 Cb -0.09 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.35 1pqs h MET 796 CO -0.07 0.66 0.36 0.00 1.06 0.00 0.00 176.91 178.92 1pqs h ALA 797 N 1.20 0.83 0.07 6.32 0.00 -0.54 0.89 119.26 128.03 1pqs h ALA 797 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pqs h ALA 797 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1pqs h ALA 797 CO -0.04 0.35 -0.03 0.82 0.00 0.00 0.00 179.25 180.34 1pqs h ILE 798 N 0.88 0.99 -0.76 0.00 2.04 -0.33 -1.93 117.51 118.41 1pqs h ILE 798 Ca 0.23 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1pqs h ILE 798 Cb 0.04 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1pqs h ILE 798 CO -0.04 0.05 0.50 0.78 0.00 0.00 0.00 178.15 179.44 1pqs h ASN 799 N -0.18 0.85 -0.02 1.72 -0.26 0.52 0.25 115.58 118.45 1pqs h ASN 799 Ca -0.01 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1pqs h ASN 799 Cb 0.15 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1pqs h ASN 799 CO 0.02 0.61 -0.01 0.77 -1.06 0.00 0.00 177.43 177.75 1pqs h SER 800 N 1.00 0.05 0.20 5.81 4.64 -0.77 -3.35 113.55 121.14 1pqs h SER 800 Ca 0.29 -0.42 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1pqs h SER 800 Cb -0.08 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1pqs h SER 800 CO -0.08 0.46 -0.10 0.11 -0.87 0.00 0.00 176.83 176.35 1pqs h LYS 801 N -0.36 -0.26 -6.22 4.77 1.57 -1.24 -3.42 116.57 111.41 1pqs h LYS 801 Ca 0.01 0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 58.24 1pqs h LYS 801 Cb 0.44 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1pqs h LYS 801 CO 0.00 0.12 1.01 0.42 -0.57 0.00 0.00 179.45 180.44 1pqs s ILE 802 N -4.15 3.91 -0.23 1.86 1.01 0.86 -4.79 121.20 119.68 1pqs s ILE 802 Ca -0.14 1.09 0.10 0.00 0.00 0.00 0.00 60.65 61.71 1pqs s ILE 802 Cb 0.01 -3.75 0.30 0.00 0.01 0.00 0.00 42.46 39.04 1pqs s ILE 802 CO 0.54 -0.14 1.35 -1.20 0.00 0.00 0.00 174.94 175.48 1pqs n SER 803 N 7.12 -1.06 -0.07 3.58 7.64 -1.26 -4.28 113.62 125.28 1pqs n SER 803 Ca 0.16 -2.14 0.04 0.00 1.01 0.00 0.00 58.87 57.94 1pqs n SER 803 Cb 0.44 0.47 0.38 0.00 -1.01 0.00 0.00 64.21 64.49 1pqs n SER 803 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pqs h ASN 804 N 0.82 0.57 -3.57 6.43 7.08 -1.87 -3.41 115.58 121.64 1pqs h ASN 804 Ca -0.46 -0.01 -0.52 0.00 -3.08 0.00 0.00 56.30 52.23 1pqs h ASN 804 Cb 1.35 -0.14 -0.02 0.00 -2.08 0.00 0.00 38.32 37.43 1pqs h ASN 804 CO -0.19 0.41 0.30 -0.89 -2.08 0.00 0.00 177.43 174.98 1pqs s THR 805 N -5.59 4.47 -0.08 6.14 2.01 -1.26 -4.92 115.64 116.40 1pqs s THR 805 Ca -0.09 1.96 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 1pqs s THR 805 Cb 0.18 -4.27 -0.17 0.00 0.01 0.00 0.00 72.50 68.25 1pqs s THR 805 CO 0.75 0.37 2.51 0.00 -0.69 0.00 0.00 174.62 177.56 1pqs n HIS 806 N 2.49 0.12 -2.46 4.92 1.44 -1.26 -3.01 115.22 117.46 1pqs n HIS 806 Ca 0.00 -1.07 -0.02 0.00 -2.01 0.00 0.00 57.72 54.62 1pqs n HIS 806 Cb 0.49 -1.23 0.04 0.00 0.12 0.00 0.00 29.99 29.41 1pqs n HIS 806 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1pqs n ASN 807 N 2.78 -0.50 0.00 4.39 5.15 -1.26 -5.10 115.26 120.72 1pqs n ASN 807 Ca 0.30 -2.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 1pqs n ASN 807 Cb 0.56 0.24 0.00 0.00 -0.53 0.00 0.00 39.78 40.05 1pqs n ASN 807 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pqs n ASN 808 N -0.63 0.00 -3.43 1.20 5.03 -1.16 -4.53 115.26 111.75 1pqs n ASN 808 Ca -0.14 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.32 1pqs n ASN 808 Cb 0.85 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.56 1pqs n ASN 808 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1pqs s ASN 809 N -4.00 -0.51 -0.23 6.41 3.84 -1.26 -4.33 114.94 114.87 1pqs s ASN 809 Ca 0.00 0.71 -0.04 0.00 0.21 0.00 0.00 52.86 53.74 1pqs s ASN 809 Cb 0.00 1.52 -0.18 0.00 -0.55 0.00 0.00 41.25 42.04 1pqs s ASN 809 CO 0.00 -0.10 -0.10 -0.38 -2.79 0.00 0.00 177.10 173.72 1pqs n ILE 810 N 4.69 1.56 -3.80 -5.21 -0.00 -1.26 -4.75 119.36 110.58 1pqs n ILE 810 Ca -0.10 -0.52 -0.13 0.00 -0.00 0.00 0.00 62.75 62.00 1pqs n ILE 810 Cb 0.54 -1.61 -0.13 0.00 -0.00 0.00 0.00 39.64 38.43 1pqs n ILE 810 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1pqs s SER 811 N -6.84 -0.13 -1.23 4.38 0.01 -1.26 -4.99 113.70 103.65 1pqs s SER 811 Ca -0.33 0.27 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 1pqs s SER 811 Cb 0.09 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 1pqs s SER 811 CO 0.61 -0.07 2.28 -2.65 0.41 0.00 0.00 173.24 173.81 1pqs n PRO 812 N 3.36 2.54 0.00 12.44 -0.02 -1.26 -4.73 135.00 147.33 1pqs n PRO 812 Ca -0.16 -2.15 0.00 0.00 -2.02 0.00 0.00 63.50 59.17 1pqs n PRO 812 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1pqs n PRO 812 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pqs n ILE 813 N 4.91 0.00 0.00 4.25 2.08 -1.26 -4.36 119.36 124.97 1pqs n ILE 813 Ca 0.55 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.86 1pqs n ILE 813 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 1pqs n ILE 813 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pqs n THR 814 N 0.00 0.00 -1.24 1.39 -2.24 -1.26 -5.00 114.28 105.92 1pqs n THR 814 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1pqs n THR 814 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1pqs n THR 814 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pqs n LYS 815 N 0.00 3.49 -2.02 -0.78 4.01 -1.26 -4.90 118.16 116.69 1pqs n LYS 815 Ca 0.00 -2.11 -0.39 0.00 -0.51 0.00 0.00 58.31 55.30 1pqs n LYS 815 Cb 0.00 -2.76 0.01 0.00 -0.51 0.00 0.00 35.03 31.76 1pqs n LYS 815 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1pqs s ILE 816 N 2.35 2.57 -0.03 -0.18 -4.36 -1.26 -4.58 121.20 115.71 1pqs s ILE 816 Ca 0.66 0.47 0.05 0.00 -0.26 0.00 0.00 60.65 61.57 1pqs s ILE 816 Cb 0.17 -3.26 -0.01 0.00 1.25 0.00 0.00 42.46 40.61 1pqs s ILE 816 CO -0.06 0.03 -0.17 -0.75 0.24 0.00 0.00 174.94 174.24 1pqs s LYS 817 N -2.53 1.57 0.05 0.37 2.20 -0.91 -2.71 119.74 117.77 1pqs s LYS 817 Ca 0.62 -0.61 0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1pqs s LYS 817 Cb -0.37 -1.44 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1pqs s LYS 817 CO 0.45 0.31 -0.18 1.52 -0.36 0.00 0.00 175.35 177.09 1pqs s TYR 818 N -0.19 1.61 0.01 4.03 -0.85 0.29 0.05 117.35 122.30 1pqs s TYR 818 Ca 0.02 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.24 1pqs s TYR 818 Cb -0.09 -0.95 -0.02 0.00 0.38 0.00 0.00 41.96 41.29 1pqs s TYR 818 CO 0.01 0.08 -0.15 -1.14 -1.52 0.00 0.00 175.55 172.83 1pqs s GLN 819 N -1.23 1.11 -0.03 -3.49 0.74 0.20 -0.41 119.66 116.55 1pqs s GLN 819 Ca 0.05 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 54.86 1pqs s GLN 819 Cb -0.09 -1.11 -0.01 0.00 1.10 0.00 0.00 33.01 32.91 1pqs s GLN 819 CO 0.02 0.29 -0.17 0.16 -0.55 0.00 0.00 175.29 175.04 1pqs s ASP 820 N -0.72 2.06 -1.42 6.67 1.47 -0.80 -0.69 116.67 123.24 1pqs s ASP 820 Ca 0.04 -0.33 -0.15 0.00 1.18 0.00 0.00 52.55 53.30 1pqs s ASP 820 Cb -0.07 -0.38 0.13 0.00 -0.34 0.00 0.00 42.92 42.26 1pqs s ASP 820 CO 0.00 0.18 0.57 1.21 0.68 0.00 0.00 175.17 177.81 1pqs n GLU 821 N 2.87 -2.69 -3.81 2.11 4.07 -0.77 -1.41 120.64 121.01 1pqs n GLU 821 Ca -0.16 0.32 -0.25 0.00 -0.06 0.00 0.00 57.16 57.00 1pqs n GLU 821 Cb 0.54 -4.98 0.01 0.00 -0.06 0.00 0.00 31.44 26.94 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 -2.36 -1.71 0.00 4.31 2.03 -1.26 -4.81 116.55 112.74 1pqs n ASP 822 Ca 0.05 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.41 1pqs n ASP 822 Cb 0.50 -3.47 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 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 -1.78 0.20 3.22 0.27 0.00 -0.50 -5.15 105.19 101.44 1pqs n GLY 823 Ca -0.26 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1pqs n GLY 823 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pqs s ASP 824 N -1.41 2.07 -0.04 1.61 2.15 -1.15 -4.97 116.67 114.93 1pqs s ASP 824 Ca 0.00 -0.60 0.05 0.00 0.43 0.00 0.00 52.55 52.43 1pqs s ASP 824 Cb 0.00 -0.11 -0.01 0.00 -0.30 0.00 0.00 42.92 42.50 1pqs s ASP 824 CO 0.00 0.02 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.46 1pqs s PHE 825 N -1.09 1.92 -0.00 -5.34 0.08 -1.26 -1.91 117.98 110.37 1pqs s PHE 825 Ca 0.03 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 1pqs s PHE 825 Cb -0.09 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1pqs s PHE 825 CO 0.03 -0.14 0.17 0.08 -0.10 0.00 0.00 175.22 175.25 1pqs s VAL 826 N -0.14 0.08 -0.10 -0.44 1.01 0.45 -4.98 120.40 116.28 1pqs s VAL 826 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1pqs s VAL 826 Cb -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1pqs s VAL 826 CO 0.02 -0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 173.89 1pqs s VAL 827 N -1.32 1.77 0.09 2.92 1.01 -1.26 0.10 120.40 123.71 1pqs s VAL 827 Ca -0.14 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1pqs s VAL 827 Cb -0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1pqs s VAL 827 CO 0.02 0.49 -0.16 -1.48 0.00 0.00 0.00 175.10 173.97 1pqs s LEU 828 N 0.55 2.30 -0.17 3.92 0.05 -1.10 -5.00 118.68 119.23 1pqs s LEU 828 Ca -0.15 -0.66 0.07 0.00 0.05 0.00 0.00 54.13 53.43 1pqs s LEU 828 Cb -0.17 -0.64 0.21 0.00 -2.05 0.00 0.00 46.19 43.54 1pqs s LEU 828 CO 0.05 -0.04 1.27 0.61 -0.55 0.00 0.00 176.35 177.69 1pqs n GLY 829 N 1.13 1.28 3.61 -3.48 0.00 -1.26 -4.31 105.19 102.16 1pqs n GLY 829 Ca -0.20 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1pqs n GLY 829 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pqs s SER 830 N -1.06 -0.72 0.30 1.61 0.01 -1.26 -5.06 113.70 107.52 1pqs s SER 830 Ca 0.05 1.31 0.05 0.00 1.31 0.00 0.00 55.95 58.67 1pqs s SER 830 Cb 0.23 1.30 0.72 0.00 0.21 0.00 0.00 66.02 68.47 1pqs s SER 830 CO -0.07 -0.30 1.77 0.44 0.41 0.00 0.00 173.24 175.49 1pqs h ASP 831 N 4.64 0.76 -0.48 2.44 5.19 -1.99 -2.89 116.42 124.09 1pqs h ASP 831 Ca -0.29 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1pqs h ASP 831 Cb 1.16 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1pqs h ASP 831 CO 0.11 0.27 0.29 -0.08 -3.12 0.00 0.00 179.24 176.71 1pqs h GLU 832 N 0.75 0.64 -0.61 3.56 4.57 -1.97 0.32 114.58 121.84 1pqs h GLU 832 Ca 0.57 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.65 1pqs h GLU 832 Cb 0.87 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1pqs h GLU 832 CO -0.38 0.46 0.18 0.22 -1.18 0.00 0.00 179.01 178.30 1pqs h ASP 833 N 0.64 0.86 -0.36 1.04 1.82 -1.93 0.37 116.42 118.86 1pqs h ASP 833 Ca 0.17 -0.15 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 1pqs h ASP 833 Cb -0.03 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1pqs h ASP 833 CO -0.03 0.82 -0.10 -0.25 -1.61 0.00 0.00 179.24 178.07 1pqs h TRP 834 N 0.90 0.79 -0.38 0.28 -0.00 -1.52 -0.89 115.95 115.12 1pqs h TRP 834 Ca 0.20 -0.17 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 1pqs h TRP 834 Cb 0.28 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.21 1pqs h TRP 834 CO 0.02 0.86 0.18 -0.97 -0.00 0.00 0.00 178.44 178.53 1pqs h ASN 835 N 0.49 0.26 -0.28 2.65 -1.24 0.69 0.15 115.58 118.31 1pqs h ASN 835 Ca 0.09 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 1pqs h ASN 835 Cb 0.61 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 1pqs h ASN 835 CO 0.04 0.19 -0.10 -0.37 -1.29 0.00 0.00 177.43 175.89 1pqs h VAL 836 N 0.38 1.25 -0.39 2.57 -1.51 -0.27 -1.38 116.25 116.89 1pqs h VAL 836 Ca 0.16 -1.11 0.01 0.00 -1.23 0.00 0.00 66.70 64.54 1pqs h VAL 836 Cb 0.08 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 1pqs h VAL 836 CO -0.12 0.37 0.24 0.00 -1.23 0.00 0.00 177.57 176.82 1pqs h ALA 837 N 1.26 0.49 -0.36 5.19 0.00 -0.01 0.31 119.26 126.14 1pqs h ALA 837 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pqs h ALA 837 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1pqs h ALA 837 CO 0.03 -0.10 0.20 0.87 0.00 0.00 0.00 179.25 180.25 1pqs h LYS 838 N 0.48 0.39 -0.67 0.00 1.57 -0.36 0.11 116.57 118.08 1pqs h LYS 838 Ca 0.15 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1pqs h LYS 838 Cb -0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1pqs h LYS 838 CO -0.06 0.26 0.39 0.93 -0.57 0.00 0.00 179.45 180.40 1pqs h GLU 839 N 0.40 0.72 -0.04 3.15 5.08 -0.74 0.35 114.58 123.51 1pqs h GLU 839 Ca 0.15 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1pqs h GLU 839 Cb 0.03 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1pqs h GLU 839 CO -0.08 0.48 -0.17 1.98 -1.00 0.00 0.00 179.01 180.22 1pqs h MET 840 N 0.74 -0.24 0.75 2.33 4.05 0.30 0.35 114.93 123.20 1pqs h MET 840 Ca 0.29 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.69 1pqs h MET 840 Cb 0.11 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1pqs h MET 840 CO -0.15 -0.16 -0.36 -0.07 0.23 0.00 0.00 176.91 176.40 1pqs h LEU 841 N -0.25 -0.85 -0.15 3.39 3.38 -0.29 -1.75 115.31 118.79 1pqs h LEU 841 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pqs h LEU 841 Cb 0.34 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pqs h LEU 841 CO -0.19 -0.57 0.08 0.00 0.09 0.00 0.00 178.44 177.85 1pqs h ALA 842 N -0.84 0.19 -0.16 1.53 0.00 -0.20 -0.61 119.26 119.16 1pqs h ALA 842 Ca -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pqs h ALA 842 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pqs h ALA 842 CO 0.17 -0.27 -0.07 0.93 0.00 0.00 0.00 179.25 180.00 1pqs h GLU 843 N 0.13 0.33 0.49 0.00 4.39 -0.38 -3.34 114.58 116.20 1pqs h GLU 843 Ca 0.05 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1pqs h GLU 843 Cb 0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1pqs h GLU 843 CO -0.01 0.64 -0.23 -0.91 -1.16 0.00 0.00 179.01 177.34 1pqs h ASN 844 N 0.01 -0.55 0.00 1.42 2.35 -1.31 -3.48 115.58 114.01 1pqs h ASN 844 Ca 0.04 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1pqs h ASN 844 Cb 0.54 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1pqs h ASN 844 CO 0.02 -0.15 0.00 -0.46 -1.65 0.00 0.00 177.43 175.19 1pqs n ASN 845 N -5.23 0.00 -4.72 5.81 0.23 -0.36 -5.10 115.26 105.90 1pqs n ASN 845 Ca -0.10 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.63 1pqs n ASN 845 Cb 0.30 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.12 1pqs n ASN 845 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1pqs s GLU 846 N 0.00 1.76 0.00 -3.83 2.02 -0.50 -4.89 118.70 113.26 1pqs s GLU 846 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.52 1pqs s GLU 846 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1pqs s GLU 846 CO 0.00 -2.08 0.00 1.17 0.02 0.00 0.00 175.26 174.37 1pqs n LYS 847 N -3.48 0.43 -1.68 1.61 4.81 -1.26 -3.88 118.16 114.72 1pqs n LYS 847 Ca 0.12 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.09 1pqs n LYS 847 Cb 0.52 -0.30 -0.04 0.00 0.02 0.00 0.00 35.03 35.22 1pqs n LYS 847 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pqs n PHE 848 N -0.44 2.35 -4.64 5.64 7.35 -1.26 -3.63 117.46 122.83 1pqs n PHE 848 Ca 0.00 0.05 -0.22 0.00 -0.76 0.00 0.00 57.45 56.52 1pqs n PHE 848 Cb 0.00 -2.64 -0.15 0.00 0.35 0.00 0.00 39.48 37.04 1pqs n PHE 848 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1pqs s LEU 849 N 2.87 2.01 0.05 -2.13 2.96 0.58 -1.85 118.68 123.17 1pqs s LEU 849 Ca 0.87 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 1pqs s LEU 849 Cb -0.65 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 1pqs s LEU 849 CO 0.45 0.17 -0.16 0.20 -1.32 0.00 0.00 176.35 175.69 1pqs s ASN 850 N -0.30 1.89 -0.11 3.68 0.01 0.14 0.42 114.94 120.66 1pqs s ASN 850 Ca 0.05 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1pqs s ASN 850 Cb -0.06 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.50 1pqs s ASN 850 CO -0.00 0.04 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.86 1pqs s ILE 851 N -0.94 1.40 -0.32 0.60 -1.09 0.11 0.60 121.20 121.57 1pqs s ILE 851 Ca 0.02 -0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 1pqs s ILE 851 Cb -0.09 -1.31 -0.01 0.00 -1.58 0.00 0.00 42.46 39.48 1pqs s ILE 851 CO 0.02 0.42 0.17 -0.60 -1.23 0.00 0.00 174.94 173.73 1pqs s ARG 852 N 1.14 3.36 -1.16 2.79 3.52 0.11 -1.20 118.95 127.51 1pqs s ARG 852 Ca -0.04 -0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 1pqs s ARG 852 Cb -0.14 -3.62 0.23 0.00 -1.56 0.00 0.00 34.95 29.86 1pqs s ARG 852 CO -0.04 -0.43 2.01 1.28 -0.81 0.00 0.00 175.30 177.32 1pqs n LEU 853 N 5.01 7.49 0.00 -0.88 7.99 -1.23 -2.14 117.00 133.23 1pqs n LEU 853 Ca -0.14 -5.14 0.08 0.00 -0.01 0.00 0.00 56.01 50.81 1pqs n LEU 853 Cb 0.49 -1.27 0.47 0.00 -0.11 0.00 0.00 43.42 43.00 1pqs n LEU 853 CO 0.34 1.97 0.68 0.00 -1.51 0.00 0.00 177.39 178.88