#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 4.30 -0.10 1.43 2.02 0.06 -4.78 118.70 121.63 1pqs s GLU 779 Ca 0.00 2.20 -0.10 0.00 0.02 0.00 0.00 54.97 57.10 1pqs s GLU 779 Cb 0.00 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.01 1pqs s GLU 779 CO 0.00 -0.43 0.22 -1.50 0.02 0.00 0.00 175.26 173.57 1pqs s ILE 780 N 0.55 5.36 0.04 -1.63 1.10 -1.26 -0.44 121.20 124.92 1pqs s ILE 780 Ca 0.62 0.40 0.06 0.00 -0.51 0.00 0.00 60.65 61.22 1pqs s ILE 780 Cb -0.40 -3.51 -0.02 0.00 0.15 0.00 0.00 42.46 38.68 1pqs s ILE 780 CO 0.36 0.58 -0.16 0.12 -2.11 0.00 0.00 174.94 173.73 1pqs s PHE 781 N -0.82 1.42 -0.10 3.50 5.36 0.14 -4.95 117.98 122.53 1pqs s PHE 781 Ca 0.17 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1pqs s PHE 781 Cb -0.13 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 1pqs s PHE 781 CO 0.06 0.06 -0.14 0.95 -1.46 0.00 0.00 175.22 174.69 1pqs s THR 782 N -0.85 1.36 -0.06 0.12 -4.23 -1.26 0.33 115.64 111.04 1pqs s THR 782 Ca 0.03 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 1pqs s THR 782 Cb -0.08 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1pqs s THR 782 CO 0.02 0.41 0.34 -0.22 -0.54 0.00 0.00 174.62 174.63 1pqs s LEU 783 N 0.94 0.71 -0.12 4.79 2.96 -0.03 -4.98 118.68 122.95 1pqs s LEU 783 Ca -0.08 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1pqs s LEU 783 Cb -0.15 1.30 0.02 0.00 0.50 0.00 0.00 46.19 47.86 1pqs s LEU 783 CO -0.00 -0.33 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.81 1pqs s LEU 784 N -0.75 1.55 -0.79 -0.68 1.02 -1.26 -1.10 118.68 116.67 1pqs s LEU 784 Ca -0.08 -0.40 -0.21 0.00 0.02 0.00 0.00 54.13 53.45 1pqs s LEU 784 Cb -0.04 -1.03 -0.15 0.00 0.02 0.00 0.00 46.19 44.99 1pqs s LEU 784 CO 0.03 -0.04 1.94 1.33 0.02 0.00 0.00 176.35 179.63 1pqs n VAL 785 N 4.57 1.89 -0.15 -1.59 0.24 -1.19 -4.73 118.33 117.37 1pqs n VAL 785 Ca -0.17 -1.62 -0.04 0.00 -2.04 0.00 0.00 64.34 60.48 1pqs n VAL 785 Cb 0.51 -2.32 0.03 0.00 -1.47 0.00 0.00 33.84 30.58 1pqs n VAL 785 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1pqs h GLU 786 N 7.77 -0.03 -6.55 7.34 4.57 -1.96 -3.39 114.58 122.33 1pqs h GLU 786 Ca 0.43 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.94 1pqs h GLU 786 Cb 0.65 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.08 1pqs h GLU 786 CO 1.94 -0.02 -0.74 -1.59 -1.18 0.00 0.00 179.01 177.42 1pqs s LYS 787 N -6.20 2.12 -0.88 1.92 -2.85 -1.26 -5.02 119.74 107.57 1pqs s LYS 787 Ca -0.14 -1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 53.56 1pqs s LYS 787 Cb 0.16 -2.30 -0.11 0.00 -2.06 0.00 0.00 37.83 33.52 1pqs s LYS 787 CO 0.71 0.51 2.18 0.08 0.10 0.00 0.00 175.35 178.94 1pqs s VAL 788 N -1.19 3.21 0.27 1.79 1.01 -1.26 -4.91 120.40 119.32 1pqs s VAL 788 Ca 0.21 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1pqs s VAL 788 Cb -0.11 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1pqs s VAL 788 CO 0.13 -0.43 1.42 0.26 0.00 0.00 0.00 175.10 176.48 1pqs s TRP 789 N 12.98 3.00 -0.10 5.22 0.51 -1.26 -4.90 118.94 134.39 1pqs s TRP 789 Ca 0.82 1.08 -0.02 0.00 -2.12 0.00 0.00 56.10 55.87 1pqs s TRP 789 Cb -0.09 -3.81 -0.01 0.00 -0.81 0.00 0.00 33.47 28.75 1pqs s TRP 789 CO 0.06 -2.58 2.39 -1.71 -0.51 0.00 0.00 176.95 174.60 1pqs n ASN 790 N 2.04 5.64 0.00 2.95 4.05 -1.26 -4.80 115.26 123.88 1pqs n ASN 790 Ca 0.06 -2.62 0.00 0.00 0.45 0.00 0.00 54.58 52.47 1pqs n ASN 790 Cb 0.40 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 40.23 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 1.42 0.00 -0.29 1.20 7.35 -1.26 -4.34 117.46 121.53 1pqs n PHE 791 Ca 0.19 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.83 1pqs n PHE 791 Cb 0.61 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.51 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 0.92 -0.70 -2.13 3.32 -1.99 0.47 116.42 116.32 1pqs h ASP 792 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1pqs h ASP 792 Cb 0.00 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1pqs h ASP 792 CO 0.00 0.68 0.34 0.44 -1.72 0.00 0.00 179.24 178.98 1pqs h ASP 793 N 1.08 0.90 -0.43 6.45 5.19 -1.90 0.17 116.42 127.88 1pqs h ASP 793 Ca 0.29 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1pqs h ASP 793 Cb -0.11 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.15 1pqs h ASP 793 CO -0.06 0.78 0.18 0.25 -3.12 0.00 0.00 179.24 177.26 1pqs h LEU 794 N 0.97 0.59 -0.52 1.55 5.85 -1.64 -1.03 115.31 121.09 1pqs h LEU 794 Ca 0.24 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pqs h LEU 794 Cb 0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1pqs h LEU 794 CO -0.03 0.59 0.32 0.40 -0.34 0.00 0.00 178.44 179.39 1pqs h ILE 795 N 0.56 1.09 -0.62 4.05 1.08 0.46 0.42 117.51 124.55 1pqs h ILE 795 Ca 0.15 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1pqs h ILE 795 Cb 0.18 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1pqs h ILE 795 CO -0.01 0.12 0.41 0.24 -0.69 0.00 0.00 178.15 178.21 1pqs h MET 796 N 0.65 0.80 -0.52 2.37 2.86 -0.35 0.41 114.93 121.15 1pqs h MET 796 Ca 0.20 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1pqs h MET 796 Cb -0.03 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 1pqs h MET 796 CO -0.07 0.53 0.20 0.00 1.06 0.00 0.00 176.91 178.63 1pqs h ALA 797 N 1.23 0.67 0.18 6.32 0.00 -0.73 0.33 119.26 127.27 1pqs h ALA 797 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pqs h ALA 797 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1pqs h ALA 797 CO -0.06 0.30 -0.12 0.82 0.00 0.00 0.00 179.25 180.19 1pqs h ILE 798 N 0.70 0.74 -0.15 0.00 2.04 -0.33 -2.05 117.51 118.46 1pqs h ILE 798 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1pqs h ILE 798 Cb 0.21 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1pqs h ILE 798 CO -0.01 0.00 0.03 0.78 0.00 0.00 0.00 178.15 178.94 1pqs h ASN 799 N -0.30 0.00 -0.18 1.72 -0.26 0.00 -0.90 115.58 115.66 1pqs h ASN 799 Ca -0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1pqs h ASN 799 Cb 0.26 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1pqs h ASN 799 CO 0.01 0.02 0.09 0.77 -1.06 0.00 0.00 177.43 177.26 1pqs h SER 800 N 0.09 0.24 -0.40 5.81 4.64 -0.85 -0.45 113.55 122.63 1pqs h SER 800 Ca 0.07 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1pqs h SER 800 Cb 0.06 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1pqs h SER 800 CO -0.09 0.29 -0.18 0.11 -0.87 0.00 0.00 176.83 176.09 1pqs h LYS 801 N 0.17 0.82 -0.22 4.77 1.57 -1.32 -3.26 116.57 119.10 1pqs h LYS 801 Ca 0.06 -0.36 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 1pqs h LYS 801 Cb 0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1pqs h LYS 801 CO -0.01 0.99 -0.55 0.82 -0.57 0.00 0.00 179.45 180.13 1pqs h ILE 802 N 0.63 1.30 0.00 1.86 2.04 -1.10 -3.42 117.51 118.82 1pqs h ILE 802 Ca 0.09 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1pqs h ILE 802 Cb 0.74 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1pqs h ILE 802 CO 0.06 0.56 0.00 -1.54 0.00 0.00 0.00 178.15 177.23 1pqs n SER 803 N -3.97 0.00 0.00 1.72 3.41 -0.18 -4.75 113.62 109.84 1pqs n SER 803 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1pqs n SER 803 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1pqs n SER 803 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pqs n ASN 804 N 0.00 0.00 0.02 4.04 5.15 -1.26 -4.47 115.26 118.75 1pqs n ASN 804 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1pqs n ASN 804 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1pqs n ASN 804 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1pqs h THR 805 N 0.00 0.00 -3.59 -0.44 1.35 -1.96 -3.40 112.91 104.88 1pqs h THR 805 Ca 0.00 -0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.34 1pqs h THR 805 Cb 0.00 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.39 1pqs h THR 805 CO 0.00 0.00 0.27 -1.38 -0.25 0.00 0.00 175.52 174.16 1pqs s HIS 806 N -2.94 3.88 0.03 4.73 0.00 -1.26 -4.98 115.29 114.75 1pqs s HIS 806 Ca -0.01 1.74 -0.28 0.00 -3.00 0.00 0.00 55.06 53.51 1pqs s HIS 806 Cb 0.00 -2.91 -0.15 0.00 -4.00 0.00 0.00 32.58 25.52 1pqs s HIS 806 CO 0.02 0.39 1.23 -0.91 -1.00 0.00 0.00 174.74 174.47 1pqs h ASN 807 N 4.78 -0.84 -3.79 7.38 2.35 -1.95 -3.41 115.58 120.09 1pqs h ASN 807 Ca -0.45 0.03 -0.63 0.00 -0.55 0.00 0.00 56.30 54.70 1pqs h ASN 807 Cb 1.21 0.22 -0.16 0.00 0.05 0.00 0.00 38.32 39.63 1pqs h ASN 807 CO 0.69 -0.52 -0.47 0.54 -1.65 0.00 0.00 177.43 176.02 1pqs s ASN 808 N -4.07 6.08 -0.15 5.81 6.03 -1.26 -4.55 114.94 122.83 1pqs s ASN 808 Ca -0.15 0.07 -0.28 0.00 -1.03 0.00 0.00 52.86 51.48 1pqs s ASN 808 Cb 0.01 -2.13 -0.01 0.00 -3.03 0.00 0.00 41.25 36.10 1pqs s ASN 808 CO 0.44 -0.04 0.96 0.21 -2.03 0.00 0.00 177.10 176.63 1pqs s ASN 809 N 1.56 7.12 -0.01 3.54 3.84 -1.26 -4.96 114.94 124.77 1pqs s ASN 809 Ca 0.08 1.38 -0.23 0.00 0.21 0.00 0.00 52.86 54.31 1pqs s ASN 809 Cb -0.15 -2.52 -0.13 0.00 -0.55 0.00 0.00 41.25 37.89 1pqs s ASN 809 CO 0.09 -0.48 0.97 0.40 -2.79 0.00 0.00 177.10 175.30 1pqs h ILE 810 N 5.20 0.21 -1.77 -5.21 1.08 -1.96 -3.48 117.51 111.58 1pqs h ILE 810 Ca -0.28 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1pqs h ILE 810 Cb 1.12 0.31 -0.21 0.00 -3.07 0.00 0.00 36.82 34.98 1pqs h ILE 810 CO 0.88 0.04 0.47 -0.44 -0.69 0.00 0.00 178.15 178.40 1pqs s SER 811 N -4.80 -0.43 -0.73 1.72 0.01 -1.26 -5.03 113.70 103.18 1pqs s SER 811 Ca -0.12 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.47 1pqs s SER 811 Cb 0.01 0.36 -0.12 0.00 0.21 0.00 0.00 66.02 66.48 1pqs s SER 811 CO 0.40 -0.44 2.64 -2.65 0.41 0.00 0.00 173.24 173.60 1pqs n PRO 812 N 0.61 2.28 0.00 12.44 -0.02 -1.26 -4.62 135.00 144.42 1pqs n PRO 812 Ca -0.12 -1.37 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 1pqs n PRO 812 Cb 0.58 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.40 0.00 0.00 4.25 2.08 -1.26 -2.94 119.36 124.89 1pqs n ILE 813 Ca 0.49 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.80 1pqs n ILE 813 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.27 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 -2.69 1.39 5.66 -1.26 -5.13 114.28 112.26 1pqs n THR 814 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1pqs n THR 814 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 4.47 -0.00 1.09 -0.14 -1.15 -4.95 119.74 119.06 1pqs s LYS 815 Ca 0.00 1.42 -0.12 0.00 -1.36 0.00 0.00 55.97 55.91 1pqs s LYS 815 Cb 0.00 -3.51 0.01 0.00 -1.68 0.00 0.00 37.83 32.65 1pqs s LYS 815 CO 0.00 -0.22 0.24 0.96 -0.76 0.00 0.00 175.35 175.57 1pqs s ILE 816 N 1.62 0.07 0.06 2.17 -4.36 -1.26 -4.47 121.20 115.03 1pqs s ILE 816 Ca 0.50 -0.58 0.06 0.00 -0.26 0.00 0.00 60.65 60.37 1pqs s ILE 816 Cb -0.20 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 1pqs s ILE 816 CO 0.22 -0.32 -0.17 -0.54 0.24 0.00 0.00 174.94 174.37 1pqs s LYS 817 N -1.40 1.07 0.04 0.37 1.02 -0.99 -2.78 119.74 117.07 1pqs s LYS 817 Ca -0.14 -0.92 0.06 0.00 0.02 0.00 0.00 55.97 54.99 1pqs s LYS 817 Cb -0.06 -1.16 -0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1pqs s LYS 817 CO 0.03 0.28 -0.18 1.52 -0.92 0.00 0.00 175.35 176.08 1pqs s TYR 818 N -0.97 1.56 0.04 3.18 -0.85 0.22 0.18 117.35 120.72 1pqs s TYR 818 Ca 0.04 -0.36 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 1pqs s TYR 818 Cb -0.09 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.29 1pqs s TYR 818 CO 0.02 0.06 -0.16 -1.14 -1.52 0.00 0.00 175.55 172.81 1pqs s GLN 819 N -1.08 1.04 -0.02 -3.49 0.74 0.14 0.05 119.66 117.05 1pqs s GLN 819 Ca 0.05 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.70 1pqs s GLN 819 Cb -0.08 -1.08 -0.01 0.00 1.10 0.00 0.00 33.01 32.93 1pqs s GLN 819 CO 0.01 0.27 -0.18 0.34 -0.55 0.00 0.00 175.29 175.18 1pqs s ASP 820 N -1.20 2.20 -1.34 6.67 2.15 -0.87 -0.78 116.67 123.50 1pqs s ASP 820 Ca 0.03 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1pqs s ASP 820 Cb -0.08 -0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 1pqs s ASP 820 CO 0.02 0.22 0.00 1.21 -0.17 0.00 0.00 175.17 176.44 1pqs n GLU 821 N 2.72 -1.41 -3.90 4.34 2.13 -1.13 -2.22 120.64 121.16 1pqs n GLU 821 Ca -0.15 0.92 -0.26 0.00 0.66 0.00 0.00 57.16 58.33 1pqs n GLU 821 Cb 0.53 -5.21 0.00 0.00 0.27 0.00 0.00 31.44 27.04 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 -0.92 -1.53 0.00 4.31 2.03 -1.26 -4.80 116.55 114.38 1pqs n ASP 822 Ca -0.13 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1pqs n ASP 822 Cb 0.55 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 37.49 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 -1.75 0.00 3.21 0.27 0.00 -0.94 -5.13 105.19 100.84 1pqs n GLY 823 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.97 2.10 -0.08 1.61 2.15 -1.14 -5.00 116.67 115.33 1pqs s ASP 824 Ca 0.00 -0.55 0.03 0.00 0.43 0.00 0.00 52.55 52.47 1pqs s ASP 824 Cb 0.00 -0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.49 1pqs s ASP 824 CO 0.00 0.06 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.53 1pqs s PHE 825 N -0.95 1.96 0.06 -5.34 0.40 -1.26 -2.05 117.98 110.80 1pqs s PHE 825 Ca 0.04 -0.75 0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1pqs s PHE 825 Cb -0.09 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1pqs s PHE 825 CO 0.02 -0.33 -0.11 0.08 0.70 0.00 0.00 175.22 175.58 1pqs s VAL 826 N 0.46 0.87 -0.09 -0.44 1.01 0.11 -4.99 120.40 117.32 1pqs s VAL 826 Ca -0.15 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.62 1pqs s VAL 826 Cb -0.16 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1pqs s VAL 826 CO 0.06 -0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 173.96 1pqs s VAL 827 N -1.39 1.75 0.10 2.92 1.01 -1.26 0.73 120.40 124.26 1pqs s VAL 827 Ca -0.05 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1pqs s VAL 827 Cb -0.10 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1pqs s VAL 827 CO 0.01 0.49 -0.16 -1.48 0.00 0.00 0.00 175.10 173.97 1pqs s LEU 828 N 0.52 2.32 0.00 3.92 -0.00 -1.12 -4.92 118.68 119.41 1pqs s LEU 828 Ca -0.16 -0.69 0.00 0.00 -0.00 0.00 0.00 54.13 53.28 1pqs s LEU 828 Cb -0.17 -0.62 0.00 0.00 -0.00 0.00 0.00 46.19 45.40 1pqs s LEU 828 CO 0.06 -0.06 0.00 0.61 -0.00 0.00 0.00 176.35 176.95 1pqs n GLY 829 N 1.00 0.16 0.00 -3.48 0.00 -1.26 -4.25 105.19 97.36 1pqs n GLY 829 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 0.00 0.00 1.61 2.88 -1.26 -5.04 113.62 110.85 1pqs n SER 830 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1pqs n SER 830 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.90 -0.04 -0.35 -3.46 -0.08 -1.26 -5.00 116.55 105.46 1pqs n ASP 831 Ca 0.00 0.06 0.09 0.00 -1.51 0.00 0.00 54.79 53.43 1pqs n ASP 831 Cb 0.00 0.12 0.27 0.00 2.34 0.00 0.00 41.12 43.85 1pqs n ASP 831 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pqs h GLU 832 N 0.00 0.90 -0.88 -0.67 4.11 -1.99 -2.01 114.58 114.03 1pqs h GLU 832 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.39 1pqs h GLU 832 Cb 0.00 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1pqs h GLU 832 CO 0.00 0.60 0.58 -0.44 0.07 0.00 0.00 179.01 179.82 1pqs h ASP 833 N 0.93 0.99 -0.40 3.06 3.32 -1.94 0.09 116.42 122.46 1pqs h ASP 833 Ca 0.51 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.41 1pqs h ASP 833 Cb 0.59 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1pqs h ASP 833 CO -0.28 0.71 -0.24 -0.25 -1.72 0.00 0.00 179.24 177.45 1pqs h TRP 834 N 1.16 1.05 -0.20 4.55 -0.00 -1.75 -1.44 115.95 119.32 1pqs h TRP 834 Ca 0.33 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1pqs h TRP 834 Cb -0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 28.83 1pqs h TRP 834 CO -0.00 1.05 0.12 -0.91 -0.00 0.00 0.00 178.44 178.70 1pqs h ASN 835 N 0.79 0.25 -0.50 2.65 2.35 -0.89 -0.04 115.58 120.19 1pqs h ASN 835 Ca 0.10 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1pqs h ASN 835 Cb 0.80 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1pqs h ASN 835 CO 0.07 0.25 0.22 -0.37 -1.65 0.00 0.00 177.43 175.94 1pqs h VAL 836 N 0.23 1.20 0.16 2.81 -1.51 -1.01 -1.90 116.25 116.24 1pqs h VAL 836 Ca 0.07 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1pqs h VAL 836 Cb 0.05 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1pqs h VAL 836 CO -0.01 0.24 -0.10 0.00 -1.23 0.00 0.00 177.57 176.47 1pqs h ALA 837 N 1.46 -0.25 -0.35 5.19 0.00 -0.52 0.23 119.26 125.02 1pqs h ALA 837 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1pqs h ALA 837 Cb 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1pqs h ALA 837 CO -0.02 -0.65 0.13 0.87 0.00 0.00 0.00 179.25 179.58 1pqs h LYS 838 N -0.26 0.27 -0.26 0.00 1.57 -0.63 0.13 116.57 117.39 1pqs h LYS 838 Ca -0.01 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1pqs h LYS 838 Cb 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1pqs h LYS 838 CO 0.01 0.18 0.05 0.93 -0.57 0.00 0.00 179.45 180.05 1pqs h GLU 839 N 0.28 0.15 -0.17 3.15 4.39 -1.19 -1.55 114.58 119.63 1pqs h GLU 839 Ca 0.16 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.90 1pqs h GLU 839 Cb 0.13 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 1pqs h GLU 839 CO -0.16 0.10 -0.22 1.98 -1.16 0.00 0.00 179.01 179.56 1pqs h MET 840 N 0.15 -0.25 0.35 2.33 4.05 0.24 0.14 114.93 121.94 1pqs h MET 840 Ca 0.12 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1pqs h MET 840 Cb 0.11 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1pqs h MET 840 CO -0.15 -0.17 -0.25 -0.07 0.23 0.00 0.00 176.91 176.51 1pqs h LEU 841 N -0.26 -0.63 -0.40 3.39 3.38 -0.47 0.16 115.31 120.48 1pqs h LEU 841 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pqs h LEU 841 Cb 0.43 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1pqs h LEU 841 CO -0.32 -0.38 0.24 0.00 0.09 0.00 0.00 178.44 178.07 1pqs h ALA 842 N 0.01 0.51 -0.17 1.53 0.00 -1.07 0.28 119.26 120.35 1pqs h ALA 842 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pqs h ALA 842 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pqs h ALA 842 CO 0.01 0.00 0.02 1.49 0.00 0.00 0.00 179.25 180.78 1pqs h GLU 843 N 0.52 0.29 -0.44 0.00 4.57 -0.64 -2.88 114.58 116.00 1pqs h GLU 843 Ca 0.14 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1pqs h GLU 843 Cb 0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1pqs h GLU 843 CO -0.03 0.47 0.14 -0.91 -1.18 0.00 0.00 179.01 177.50 1pqs h ASN 844 N 0.07 0.59 0.00 1.04 2.35 -0.54 -3.46 115.58 115.63 1pqs h ASN 844 Ca 0.05 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pqs h ASN 844 Cb 0.32 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1pqs h ASN 844 CO 0.00 0.57 0.00 -0.46 -1.65 0.00 0.00 177.43 175.89 1pqs n ASN 845 N -4.33 0.00 -4.85 5.81 0.23 0.92 -5.06 115.26 107.98 1pqs n ASN 845 Ca 0.03 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.77 1pqs n ASN 845 Cb 0.18 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.87 2.93 0.00 -3.83 0.41 -0.70 -4.92 118.70 111.72 1pqs s GLU 846 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 1pqs s GLU 846 Cb 0.00 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1pqs s GLU 846 CO 0.00 -1.04 0.07 1.17 -0.49 0.00 0.00 175.26 174.97 1pqs n LYS 847 N -3.06 0.00 -2.60 1.61 4.81 -1.26 -4.14 118.16 113.52 1pqs n LYS 847 Ca 0.07 -0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 1pqs n LYS 847 Cb 0.55 -0.21 -0.03 0.00 0.02 0.00 0.00 35.03 35.37 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 3.37 0.02 5.64 5.36 -1.26 -3.16 117.98 127.95 1pqs s PHE 848 Ca 0.00 1.44 0.05 0.00 -0.96 0.00 0.00 56.93 57.46 1pqs s PHE 848 Cb 0.00 -3.28 -0.02 0.00 -0.34 0.00 0.00 43.02 39.38 1pqs s PHE 848 CO 0.00 -0.66 -0.16 -1.17 -1.46 0.00 0.00 175.22 171.77 1pqs s LEU 849 N 2.21 2.13 0.04 6.12 2.96 -0.26 -2.86 118.68 129.02 1pqs s LEU 849 Ca 0.51 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1pqs s LEU 849 Cb -0.20 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1pqs s LEU 849 CO 0.18 0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 175.36 1pqs s ASN 850 N -0.91 1.90 -0.07 3.68 0.01 0.04 -0.85 114.94 118.74 1pqs s ASN 850 Ca 0.04 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 1pqs s ASN 850 Cb -0.07 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.46 1pqs s ASN 850 CO 0.01 0.07 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.90 1pqs s ILE 851 N -0.82 1.27 -0.15 0.60 -1.09 0.15 0.26 121.20 121.42 1pqs s ILE 851 Ca 0.03 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.81 1pqs s ILE 851 Cb -0.08 -1.14 -0.04 0.00 -1.58 0.00 0.00 42.46 39.61 1pqs s ILE 851 CO 0.01 0.38 0.13 -0.60 -1.23 0.00 0.00 174.94 173.64 1pqs s ARG 852 N 0.55 3.69 -0.10 2.79 3.52 0.13 0.27 118.95 129.81 1pqs s ARG 852 Ca -0.14 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1pqs s ARG 852 Cb -0.16 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1pqs s ARG 852 CO 0.04 0.60 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.54 1pqs s LEU 853 N -0.51 3.06 0.00 -0.88 2.01 0.42 -2.34 118.68 120.44 1pqs s LEU 853 Ca 0.12 -0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.14 1pqs s LEU 853 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 46.19 44.40 1pqs s LEU 853 CO 0.02 0.28 0.00 0.00 1.01 0.00 0.00 176.35 177.66