#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqs n GLU 779 N 0.00 2.37 -4.36 1.43 0.28 -1.13 -4.84 120.64 114.39 1pqs n GLU 779 Ca 0.00 0.86 -0.34 0.00 -0.16 0.00 0.00 57.16 57.52 1pqs n GLU 779 Cb 0.00 -2.69 -0.09 0.00 1.43 0.00 0.00 31.44 30.09 1pqs n GLU 779 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1pqs s ILE 780 N 2.21 4.24 0.04 3.84 1.10 -1.26 -1.93 121.20 129.44 1pqs s ILE 780 Ca 0.83 -0.37 0.05 0.00 -0.51 0.00 0.00 60.65 60.65 1pqs s ILE 780 Cb -0.62 -2.82 -0.02 0.00 0.15 0.00 0.00 42.46 39.15 1pqs s ILE 780 CO 0.41 0.53 -0.14 0.12 -2.11 0.00 0.00 174.94 173.75 1pqs s PHE 781 N -0.95 1.20 -0.09 3.50 5.36 0.92 -4.94 117.98 122.97 1pqs s PHE 781 Ca 0.15 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1pqs s PHE 781 Cb -0.11 -0.71 0.01 0.00 -0.34 0.00 0.00 43.02 41.87 1pqs s PHE 781 CO 0.05 0.03 -0.14 0.95 -1.46 0.00 0.00 175.22 174.65 1pqs s THR 782 N -0.87 1.35 -0.05 0.12 -4.23 -1.26 0.51 115.64 111.21 1pqs s THR 782 Ca 0.01 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.80 1pqs s THR 782 Cb -0.08 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.55 1pqs s THR 782 CO 0.01 0.41 0.35 -0.22 -0.54 0.00 0.00 174.62 174.63 1pqs s LEU 783 N 0.91 0.67 -0.10 4.79 2.96 0.51 -4.99 118.68 123.43 1pqs s LEU 783 Ca -0.09 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1pqs s LEU 783 Cb -0.15 1.36 0.01 0.00 0.50 0.00 0.00 46.19 47.91 1pqs s LEU 783 CO 0.00 -0.37 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.75 1pqs s LEU 784 N -0.90 1.71 -1.01 -0.68 1.02 -1.26 -0.96 118.68 116.60 1pqs s LEU 784 Ca -0.10 -0.41 -0.23 0.00 0.02 0.00 0.00 54.13 53.41 1pqs s LEU 784 Cb -0.04 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.09 1pqs s LEU 784 CO 0.04 0.02 1.84 0.68 0.02 0.00 0.00 176.35 178.94 1pqs s VAL 785 N 0.93 3.60 0.30 -1.59 -7.23 -1.25 -4.97 120.40 110.20 1pqs s VAL 785 Ca -0.08 -0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 1pqs s VAL 785 Cb -0.15 -4.40 -0.09 0.00 0.56 0.00 0.00 36.38 32.29 1pqs s VAL 785 CO -0.00 -1.22 1.10 -1.83 -0.31 0.00 0.00 175.10 172.83 1pqs s GLU 786 N 6.32 4.55 -0.83 4.82 -1.05 -1.26 -3.57 118.70 127.68 1pqs s GLU 786 Ca 0.64 1.77 -0.04 0.00 -0.15 0.00 0.00 54.97 57.19 1pqs s GLU 786 Cb -0.03 -3.08 0.03 0.00 -0.44 0.00 0.00 34.13 30.60 1pqs s GLU 786 CO 0.01 0.14 0.16 0.36 0.95 0.00 0.00 175.26 176.88 1pqs n LYS 787 N 0.98 -2.68 -2.96 -4.83 2.85 -1.26 -3.86 118.16 106.40 1pqs n LYS 787 Ca -0.00 0.35 -0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1pqs n LYS 787 Cb 0.45 -4.94 -0.00 0.00 -0.65 0.00 0.00 35.03 29.89 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 -3.29 -6.87 -2.20 0.58 0.31 -1.23 -4.91 118.33 100.72 1pqs n VAL 788 Ca -0.05 1.17 -0.40 0.00 -0.01 0.00 0.00 64.34 65.05 1pqs n VAL 788 Cb 0.55 -4.88 -0.02 0.00 -0.91 0.00 0.00 33.84 28.57 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 -1.26 3.15 -0.24 3.52 0.51 -1.25 -4.92 118.94 118.46 1pqs s TRP 789 Ca -0.01 1.48 -0.02 0.00 -2.12 0.00 0.00 56.10 55.44 1pqs s TRP 789 Cb 0.00 -3.58 0.10 0.00 -0.81 0.00 0.00 33.47 29.18 1pqs s TRP 789 CO 0.38 -1.56 2.26 -1.71 -0.51 0.00 0.00 176.95 175.81 1pqs n ASN 790 N 0.82 6.11 0.00 2.95 4.05 -1.26 -4.81 115.26 123.12 1pqs n ASN 790 Ca 0.00 -2.89 0.00 0.00 0.45 0.00 0.00 54.58 52.14 1pqs n ASN 790 Cb 0.43 -1.13 0.00 0.00 1.23 0.00 0.00 39.78 40.31 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1pqs n PHE 791 N 0.87 0.00 -0.30 1.20 7.35 -1.26 -4.29 117.46 121.03 1pqs n PHE 791 Ca 0.27 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.92 1pqs n PHE 791 Cb 0.58 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.49 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 0.97 -0.84 -2.13 5.19 -1.99 0.42 116.42 118.04 1pqs h ASP 792 Ca 0.00 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1pqs h ASP 792 Cb 0.00 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.22 1pqs h ASP 792 CO 0.00 0.75 0.45 0.44 -3.12 0.00 0.00 179.24 177.77 1pqs h ASP 793 N 1.11 1.07 -0.24 6.45 5.19 -1.91 0.10 116.42 128.19 1pqs h ASP 793 Ca 0.29 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1pqs h ASP 793 Cb -0.04 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 1pqs h ASP 793 CO -0.05 0.86 -0.04 0.25 -3.12 0.00 0.00 179.24 177.14 1pqs h LEU 794 N 1.19 0.44 -0.09 1.55 5.85 -1.53 0.17 115.31 122.89 1pqs h LEU 794 Ca 0.30 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pqs h LEU 794 Cb 0.04 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1pqs h LEU 794 CO -0.05 0.69 0.05 0.40 -0.34 0.00 0.00 178.44 179.20 1pqs h ILE 795 N 0.19 1.06 -0.92 4.05 1.08 0.23 0.12 117.51 123.32 1pqs h ILE 795 Ca 0.06 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1pqs h ILE 795 Cb 0.48 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.18 1pqs h ILE 795 CO 0.02 0.05 0.61 0.24 -0.69 0.00 0.00 178.15 178.38 1pqs h MET 796 N 0.08 1.18 -0.63 2.37 2.86 -0.78 -0.48 114.93 119.54 1pqs h MET 796 Ca 0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1pqs h MET 796 Cb 0.04 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 1pqs h MET 796 CO -0.01 0.78 0.25 0.00 1.06 0.00 0.00 176.91 178.99 1pqs h ALA 797 N 1.36 0.81 -0.16 6.32 0.00 -0.53 0.31 119.26 127.37 1pqs h ALA 797 Ca 0.35 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1pqs h ALA 797 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1pqs h ALA 797 CO -0.09 0.43 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 1pqs h ILE 798 N 0.88 0.87 -0.51 0.00 2.04 0.03 -1.28 117.51 119.53 1pqs h ILE 798 Ca 0.21 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 1pqs h ILE 798 Cb 0.21 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1pqs h ILE 798 CO -0.02 0.01 -0.02 0.78 0.00 0.00 0.00 178.15 178.90 1pqs h ASN 799 N 0.03 0.85 -0.57 1.72 2.35 -0.80 0.23 115.58 119.39 1pqs h ASN 799 Ca 0.08 -0.23 0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1pqs h ASN 799 Cb 0.10 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 1pqs h ASN 799 CO -0.14 0.93 0.20 0.28 -1.65 0.00 0.00 177.43 177.04 1pqs h SER 800 N 0.81 0.19 0.36 5.81 0.02 0.20 -2.74 113.55 118.20 1pqs h SER 800 Ca 0.15 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1pqs h SER 800 Cb 0.51 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1pqs h SER 800 CO 0.03 0.12 -0.17 0.11 -1.14 0.00 0.00 176.83 175.78 1pqs h LYS 801 N 0.38 -0.46 -6.31 3.45 1.79 -0.88 -3.34 116.57 111.20 1pqs h LYS 801 Ca 0.29 0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 58.22 1pqs h LYS 801 Cb 0.35 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1pqs h LYS 801 CO -0.30 -0.15 1.03 0.42 -1.08 0.00 0.00 179.45 179.38 1pqs s ILE 802 N -4.09 3.95 -1.16 1.86 1.01 0.76 -3.99 121.20 119.55 1pqs s ILE 802 Ca -0.13 1.08 -0.25 0.00 0.00 0.00 0.00 60.65 61.36 1pqs s ILE 802 Cb 0.01 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1pqs s ILE 802 CO 0.45 -0.37 0.76 -1.54 0.00 0.00 0.00 174.94 174.23 1pqs n SER 803 N 7.89 -4.94 0.25 3.58 3.41 -1.26 -4.68 113.62 117.87 1pqs n SER 803 Ca 0.16 -1.10 0.18 0.00 -0.26 0.00 0.00 58.87 57.85 1pqs n SER 803 Cb 0.46 -2.86 0.89 0.00 -0.26 0.00 0.00 64.21 62.44 1pqs n SER 803 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pqs h ASN 804 N -2.13 0.00 0.00 4.04 -1.07 -1.69 -3.33 115.58 111.40 1pqs h ASN 804 Ca -0.68 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.69 1pqs h ASN 804 Cb 1.37 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.62 1pqs h ASN 804 CO 0.49 0.00 0.00 0.35 0.07 0.00 0.00 177.43 178.34 1pqs n THR 805 N -3.46 0.00 -2.44 6.14 -2.24 -1.26 -4.90 114.28 106.12 1pqs n THR 805 Ca 0.00 0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 62.18 1pqs n THR 805 Cb 0.31 -1.33 0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1pqs n THR 805 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pqs n HIS 806 N 0.00 -1.16 0.00 4.78 1.44 -1.25 -5.04 115.22 113.99 1pqs n HIS 806 Ca 0.00 -1.05 0.00 0.00 -2.01 0.00 0.00 57.72 54.66 1pqs n HIS 806 Cb 0.00 1.09 0.00 0.00 0.12 0.00 0.00 29.99 31.20 1pqs n HIS 806 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1pqs n ASN 807 N -0.87 0.00 -2.09 4.39 3.02 -1.26 -4.76 115.26 113.70 1pqs n ASN 807 Ca -0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 1pqs n ASN 807 Cb 0.73 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.76 1pqs n ASN 807 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1pqs n ASN 808 N 0.00 4.30 -2.17 6.41 2.04 -1.26 -4.56 115.26 120.02 1pqs n ASN 808 Ca 0.00 -2.30 -0.23 0.00 -0.44 0.00 0.00 54.58 51.61 1pqs n ASN 808 Cb 0.00 -1.16 0.02 0.00 -2.53 0.00 0.00 39.78 36.10 1pqs n ASN 808 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1pqs n ASN 809 N 2.58 6.68 0.00 0.53 2.85 -1.26 -3.94 115.26 122.71 1pqs n ASN 809 Ca 0.35 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.59 1pqs n ASN 809 Cb 0.75 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.67 1pqs n ASN 809 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1pqs n ILE 810 N 0.30 0.00 -3.66 -1.44 2.08 -1.26 -5.02 119.36 110.36 1pqs n ILE 810 Ca 0.41 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.62 1pqs n ILE 810 Cb 0.57 -1.34 -0.08 0.00 -0.75 0.00 0.00 39.64 38.04 1pqs n ILE 810 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1pqs s SER 811 N -4.86 -0.77 -0.43 4.38 0.01 -1.25 -5.04 113.70 105.73 1pqs s SER 811 Ca 0.00 1.31 -0.05 0.00 1.31 0.00 0.00 55.95 58.52 1pqs s SER 811 Cb 0.00 1.22 -0.13 0.00 0.21 0.00 0.00 66.02 67.32 1pqs s SER 811 CO 0.00 -0.22 2.44 -2.65 0.41 0.00 0.00 173.24 173.22 1pqs n PRO 812 N 3.89 1.76 -0.49 12.44 -0.02 -1.26 -4.43 135.00 146.89 1pqs n PRO 812 Ca -0.19 -1.04 0.00 0.00 -2.02 0.00 0.00 63.50 60.25 1pqs n PRO 812 Cb 0.57 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.24 0.00 -0.92 4.25 2.08 -1.26 -3.04 119.36 123.71 1pqs n ILE 813 Ca 0.38 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1pqs n ILE 813 Cb 0.42 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 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 -2.00 0.00 -1.65 1.39 -2.24 -1.26 -4.81 114.28 103.71 1pqs n THR 814 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1pqs n THR 814 Cb 0.00 -0.92 0.06 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.73 2.87 -2.28 -0.78 4.76 -1.17 -4.91 118.16 117.38 1pqs n LYS 815 Ca 0.00 -3.54 -0.41 0.00 -2.87 0.00 0.00 58.31 51.49 1pqs n LYS 815 Cb 0.44 -2.28 -0.03 0.00 -1.84 0.00 0.00 35.03 31.32 1pqs n LYS 815 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1pqs s ILE 816 N -4.91 3.38 -0.01 -0.18 -0.00 -1.26 -4.62 121.20 113.60 1pqs s ILE 816 Ca 0.59 1.13 0.05 0.00 -0.00 0.00 0.00 60.65 62.42 1pqs s ILE 816 Cb 0.47 -3.72 -0.01 0.00 -0.00 0.00 0.00 42.46 39.20 1pqs s ILE 816 CO -0.13 0.17 -0.16 -0.75 -0.00 0.00 0.00 174.94 174.07 1pqs s LYS 817 N -0.06 1.36 0.05 0.37 2.20 -0.98 -2.89 119.74 119.79 1pqs s LYS 817 Ca 0.56 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.64 1pqs s LYS 817 Cb -0.35 -1.31 -0.02 0.00 -1.51 0.00 0.00 37.83 34.64 1pqs s LYS 817 CO 0.37 0.35 -0.17 1.52 -0.36 0.00 0.00 175.35 177.06 1pqs s TYR 818 N -0.36 1.49 0.03 4.03 1.13 0.22 -0.35 117.35 123.55 1pqs s TYR 818 Ca 0.06 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.40 1pqs s TYR 818 Cb -0.07 -0.88 -0.02 0.00 -1.10 0.00 0.00 41.96 39.89 1pqs s TYR 818 CO -0.00 0.07 -0.16 -1.14 -2.51 0.00 0.00 175.55 171.81 1pqs s GLN 819 N -1.22 1.11 -0.00 -3.49 0.74 0.11 -0.82 119.66 116.09 1pqs s GLN 819 Ca 0.04 -0.75 0.06 0.00 0.05 0.00 0.00 55.36 54.76 1pqs s GLN 819 Cb -0.08 -1.13 -0.02 0.00 1.10 0.00 0.00 33.01 32.88 1pqs s GLN 819 CO 0.02 0.29 -0.18 0.16 -0.55 0.00 0.00 175.29 175.03 1pqs s ASP 820 N -0.97 2.07 -1.82 6.67 1.47 -0.97 -0.32 116.67 122.80 1pqs s ASP 820 Ca 0.04 -0.35 0.00 0.00 1.18 0.00 0.00 52.55 53.42 1pqs s ASP 820 Cb -0.08 -0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.29 1pqs s ASP 820 CO 0.01 0.19 0.00 1.21 0.68 0.00 0.00 175.17 177.26 1pqs n GLU 821 N 2.49 -1.53 -3.71 2.11 2.13 -1.04 -1.46 120.64 119.63 1pqs n GLU 821 Ca -0.15 1.09 -0.28 0.00 0.66 0.00 0.00 57.16 58.48 1pqs n GLU 821 Cb 0.54 -5.48 0.02 0.00 0.27 0.00 0.00 31.44 26.80 1pqs n GLU 821 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1pqs n ASP 822 N -1.25 -4.90 0.00 4.31 2.03 -1.26 -4.81 116.55 110.67 1pqs n ASP 822 Ca -0.17 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1pqs n ASP 822 Cb 0.64 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 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 -1.61 0.00 3.19 0.27 0.00 -0.53 -5.12 105.19 101.39 1pqs n GLY 823 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.90 2.03 -0.08 1.61 -1.08 -1.15 -4.99 116.67 112.10 1pqs s ASP 824 Ca 0.00 -0.49 0.03 0.00 -0.52 0.00 0.00 52.55 51.57 1pqs s ASP 824 Cb 0.00 -0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.32 1pqs s ASP 824 CO 0.00 0.09 -0.16 -0.36 0.52 0.00 0.00 175.17 175.26 1pqs s PHE 825 N -0.83 1.86 -0.03 -5.34 0.08 -1.26 -2.29 117.98 110.16 1pqs s PHE 825 Ca 0.04 -0.75 -0.15 0.00 0.12 0.00 0.00 56.93 56.19 1pqs s PHE 825 Cb -0.08 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1pqs s PHE 825 CO 0.02 -0.36 0.33 0.54 -0.10 0.00 0.00 175.22 175.65 1pqs s VAL 826 N 0.65 0.05 0.00 -0.44 0.11 0.00 -5.00 120.40 115.77 1pqs s VAL 826 Ca -0.14 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1pqs s VAL 826 Cb -0.16 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1pqs s VAL 826 CO 0.04 -0.21 -0.21 0.54 -3.33 0.00 0.00 175.10 171.92 1pqs s VAL 827 N -1.12 1.68 0.34 2.04 0.11 -1.26 0.72 120.40 122.91 1pqs s VAL 827 Ca -0.12 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 1pqs s VAL 827 Cb -0.05 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1pqs s VAL 827 CO 0.04 0.39 0.09 -1.48 -3.33 0.00 0.00 175.10 170.81 1pqs s LEU 828 N -0.73 2.03 0.00 2.54 0.05 -1.14 -4.96 118.68 116.47 1pqs s LEU 828 Ca 0.08 -1.48 0.00 0.00 0.05 0.00 0.00 54.13 52.79 1pqs s LEU 828 Cb -0.08 -0.23 0.00 0.00 -2.05 0.00 0.00 46.19 43.83 1pqs s LEU 828 CO 0.00 -0.73 0.00 0.61 -0.55 0.00 0.00 176.35 175.68 1pqs n GLY 829 N -0.72 -0.38 3.80 -3.48 0.00 -1.26 -4.47 105.19 98.68 1pqs n GLY 829 Ca -0.03 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1pqs n GLY 829 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pqs s SER 830 N -1.89 7.18 -0.58 1.61 0.15 -1.26 -4.92 113.70 113.99 1pqs s SER 830 Ca 0.00 1.61 -0.16 0.00 0.70 0.00 0.00 55.95 58.10 1pqs s SER 830 Cb 0.00 -2.49 -0.14 0.00 -1.71 0.00 0.00 66.02 61.67 1pqs s SER 830 CO 0.00 -0.02 1.80 -0.67 1.20 0.00 0.00 173.24 175.55 1pqs n ASP 831 N 0.62 2.60 0.00 5.45 2.03 -1.26 -3.02 116.55 122.97 1pqs n ASP 831 Ca -0.00 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.85 1pqs n ASP 831 Cb 0.51 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1pqs n ASP 831 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1pqs n GLU 832 N 6.13 0.00 -0.15 -0.67 2.13 -1.26 -4.69 120.64 122.13 1pqs n GLU 832 Ca 0.41 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.21 1pqs n GLU 832 Cb 0.28 -0.07 0.20 0.00 0.27 0.00 0.00 31.44 32.12 1pqs n GLU 832 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1pqs h ASP 833 N 0.00 0.80 -0.38 4.31 3.32 -1.93 -0.63 116.42 121.91 1pqs h ASP 833 Ca 0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1pqs h ASP 833 Cb 0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1pqs h ASP 833 CO 0.00 0.73 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.98 1pqs h TRP 834 N 0.85 0.83 -0.39 4.55 -0.00 -1.89 -0.71 115.95 119.19 1pqs h TRP 834 Ca 0.20 -0.12 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1pqs h TRP 834 Cb 0.21 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 1pqs h TRP 834 CO 0.01 0.78 0.26 -0.91 -0.00 0.00 0.00 178.44 178.59 1pqs h ASN 835 N 0.72 0.45 -0.50 2.65 -0.26 -1.44 0.17 115.58 117.38 1pqs h ASN 835 Ca 0.14 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1pqs h ASN 835 Cb 0.48 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.58 1pqs h ASN 835 CO 0.02 0.33 0.27 0.58 -1.06 0.00 0.00 177.43 177.57 1pqs h VAL 836 N 0.53 0.98 0.02 2.81 2.07 -0.87 -1.28 116.25 120.51 1pqs h VAL 836 Ca 0.14 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1pqs h VAL 836 Cb -0.06 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1pqs h VAL 836 CO -0.03 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.64 1pqs h ALA 837 N 1.26 -0.03 -0.52 1.67 0.00 -0.31 0.15 119.26 121.49 1pqs h ALA 837 Ca 0.22 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1pqs h ALA 837 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1pqs h ALA 837 CO -0.14 -0.47 0.28 0.87 0.00 0.00 0.00 179.25 179.80 1pqs h LYS 838 N -0.12 0.54 -0.71 0.00 1.57 -0.46 0.25 116.57 117.64 1pqs h LYS 838 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1pqs h LYS 838 Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1pqs h LYS 838 CO 0.00 0.36 0.40 0.93 -0.57 0.00 0.00 179.45 180.57 1pqs h GLU 839 N 0.56 0.99 0.41 3.15 5.08 -1.10 -0.22 114.58 123.45 1pqs h GLU 839 Ca 0.22 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1pqs h GLU 839 Cb 0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1pqs h GLU 839 CO -0.13 0.73 -0.30 1.98 -1.00 0.00 0.00 179.01 180.30 1pqs h MET 840 N 0.98 -0.67 -0.31 2.33 4.05 0.25 0.30 114.93 121.86 1pqs h MET 840 Ca 0.25 0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1pqs h MET 840 Cb 0.03 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 1pqs h MET 840 CO -0.04 -0.44 -0.03 -0.07 0.23 0.00 0.00 176.91 176.55 1pqs h LEU 841 N -0.69 -0.20 -0.02 3.39 3.38 -0.30 0.47 115.31 121.33 1pqs h LEU 841 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pqs h LEU 841 Cb 0.59 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1pqs h LEU 841 CO 0.01 -0.06 0.01 0.00 0.09 0.00 0.00 178.44 178.48 1pqs h ALA 842 N 1.29 0.03 -0.18 1.53 0.00 -0.85 0.15 119.26 121.24 1pqs h ALA 842 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1pqs h ALA 842 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pqs h ALA 842 CO -0.28 -0.37 -0.10 1.49 0.00 0.00 0.00 179.25 179.99 1pqs h GLU 843 N -0.16 0.38 -0.38 0.00 4.22 -0.16 -3.11 114.58 115.38 1pqs h GLU 843 Ca 0.01 -0.17 -0.06 0.00 0.08 0.00 0.00 59.36 59.22 1pqs h GLU 843 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1pqs h GLU 843 CO -0.00 0.69 -0.02 -0.91 -2.18 0.00 0.00 179.01 176.60 1pqs h ASN 844 N 0.06 0.58 0.00 1.04 -0.26 -0.09 -3.46 115.58 113.44 1pqs h ASN 844 Ca 0.04 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1pqs h ASN 844 Cb 0.59 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1pqs h ASN 844 CO 0.03 0.66 0.00 -0.46 -1.06 0.00 0.00 177.43 176.60 1pqs n ASN 845 N -4.25 0.00 -4.78 5.81 0.23 0.49 -5.05 115.26 107.71 1pqs n ASN 845 Ca 0.02 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.73 1pqs n ASN 845 Cb 0.27 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.81 3.21 0.00 -3.83 0.41 -0.92 -4.91 118.70 111.85 1pqs s GLU 846 Ca 0.00 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.96 1pqs s GLU 846 Cb 0.00 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1pqs s GLU 846 CO 0.00 -0.92 0.00 1.17 -0.49 0.00 0.00 175.26 175.02 1pqs n LYS 847 N -1.83 3.69 -1.78 1.61 4.81 -1.26 -4.24 118.16 119.15 1pqs n LYS 847 Ca 0.10 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.12 1pqs n LYS 847 Cb 0.52 -0.31 -0.03 0.00 0.02 0.00 0.00 35.03 35.23 1pqs n LYS 847 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1pqs s PHE 848 N 0.00 2.18 0.03 5.64 5.36 -1.26 -3.79 117.98 126.14 1pqs s PHE 848 Ca 0.00 0.06 0.05 0.00 -0.96 0.00 0.00 56.93 56.09 1pqs s PHE 848 Cb 0.00 -4.11 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 1pqs s PHE 848 CO 0.00 -4.58 -0.16 -1.17 -1.46 0.00 0.00 175.22 167.85 1pqs s LEU 849 N 2.82 2.14 0.04 6.12 2.96 -0.13 -2.50 118.68 130.13 1pqs s LEU 849 Ca 0.79 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1pqs s LEU 849 Cb -0.44 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1pqs s LEU 849 CO 0.35 0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 175.52 1pqs s ASN 850 N -0.97 1.95 -0.11 3.68 0.01 0.57 -0.37 114.94 119.71 1pqs s ASN 850 Ca 0.04 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1pqs s ASN 850 Cb -0.08 -0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.46 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 -0.83 1.32 -0.10 0.60 -1.09 0.18 0.09 121.20 121.37 1pqs s ILE 851 Ca 0.04 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1pqs s ILE 851 Cb -0.08 -1.23 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 1pqs s ILE 851 CO 0.01 0.41 0.01 -0.60 -1.23 0.00 0.00 174.94 173.54 1pqs s ARG 852 N 1.15 3.16 -0.04 2.79 3.52 0.53 -0.06 118.95 130.01 1pqs s ARG 852 Ca -0.04 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1pqs s ARG 852 Cb -0.14 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1pqs s ARG 852 CO -0.03 0.62 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.31 1pqs s LEU 853 N -0.64 2.10 0.00 -0.88 1.43 -0.81 -2.33 118.68 117.55 1pqs s LEU 853 Ca 0.10 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1pqs s LEU 853 Cb -0.12 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1pqs s LEU 853 CO 0.02 0.29 0.00 0.00 0.23 0.00 0.00 176.35 176.89