#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 4.57 0.15 1.43 -1.05 -1.25 -4.71 118.70 117.83 1pqs s GLU 779 Ca 0.00 1.74 -0.26 0.00 -0.15 0.00 0.00 54.97 56.30 1pqs s GLU 779 Cb 0.00 -3.28 -0.07 0.00 -0.44 0.00 0.00 34.13 30.34 1pqs s GLU 779 CO 0.00 0.03 0.80 -1.50 0.95 0.00 0.00 175.26 175.54 1pqs s ILE 780 N -0.15 4.42 0.04 1.83 1.10 -1.26 -2.78 121.20 124.40 1pqs s ILE 780 Ca 0.50 1.74 0.06 0.00 -0.51 0.00 0.00 60.65 62.44 1pqs s ILE 780 Cb -0.30 -4.16 -0.02 0.00 0.15 0.00 0.00 42.46 38.13 1pqs s ILE 780 CO 0.35 0.48 -0.17 0.12 -2.11 0.00 0.00 174.94 173.61 1pqs s PHE 781 N -0.90 1.52 -0.07 3.50 5.36 -0.00 -4.95 117.98 122.44 1pqs s PHE 781 Ca 0.37 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1pqs s PHE 781 Cb -0.23 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 1pqs s PHE 781 CO 0.26 0.07 -0.15 0.99 -1.46 0.00 0.00 175.22 174.93 1pqs s THR 782 N -0.83 1.36 -0.07 0.12 2.01 -1.26 0.32 115.64 117.29 1pqs s THR 782 Ca 0.05 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 1pqs s THR 782 Cb -0.08 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1pqs s THR 782 CO 0.02 0.40 0.32 -0.22 -0.69 0.00 0.00 174.62 174.45 1pqs s LEU 783 N 0.61 0.80 -0.18 4.42 2.96 0.11 -4.98 118.68 122.41 1pqs s LEU 783 Ca -0.15 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1pqs s LEU 783 Cb -0.16 1.20 0.05 0.00 0.50 0.00 0.00 46.19 47.77 1pqs s LEU 783 CO 0.05 -0.28 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.53 1pqs s LEU 784 N -0.59 1.81 -0.39 -0.68 0.20 -1.26 -0.53 118.68 117.24 1pqs s LEU 784 Ca -0.07 -0.80 -0.27 0.00 0.69 0.00 0.00 54.13 53.68 1pqs s LEU 784 Cb -0.04 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 1pqs s LEU 784 CO 0.02 -0.20 2.14 0.68 -0.29 0.00 0.00 176.35 178.70 1pqs s VAL 785 N 1.59 3.16 0.10 1.68 -7.23 -1.22 -4.85 120.40 113.64 1pqs s VAL 785 Ca -0.01 0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 60.16 1pqs s VAL 785 Cb -0.16 -3.29 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 1pqs s VAL 785 CO -0.07 -0.23 1.41 -0.33 -0.31 0.00 0.00 175.10 175.56 1pqs h GLU 786 N 16.05 0.75 -1.01 4.82 4.39 -1.97 -3.36 114.58 134.25 1pqs h GLU 786 Ca -0.32 -0.42 -0.36 0.00 0.34 0.00 0.00 59.36 58.60 1pqs h GLU 786 Cb 1.22 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.50 1pqs h GLU 786 CO 1.08 1.04 -1.20 0.36 -1.16 0.00 0.00 179.01 179.13 1pqs n LYS 787 N -4.20 1.14 0.00 2.33 -0.00 -1.26 -5.00 118.16 111.17 1pqs n LYS 787 Ca -0.04 -3.25 0.00 0.00 -0.00 0.00 0.00 58.31 55.02 1pqs n LYS 787 Cb 0.51 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.30 1pqs n LYS 787 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1pqs n VAL 788 N -0.06 0.00 -1.39 0.58 3.14 -1.26 -4.75 118.33 114.60 1pqs n VAL 788 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1pqs n VAL 788 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.60 1pqs n VAL 788 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 1pqs n TRP 789 N 0.00 -3.37 -0.81 1.45 8.01 -1.26 -4.71 117.44 116.74 1pqs n TRP 789 Ca 0.00 1.85 -0.10 0.00 -1.31 0.00 0.00 57.50 57.94 1pqs n TRP 789 Cb 0.00 -3.07 -0.02 0.00 -2.01 0.00 0.00 31.31 26.21 1pqs n TRP 789 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1pqs n ASN 790 N 0.57 5.85 0.00 -0.99 6.94 -1.26 -4.80 115.26 121.58 1pqs n ASN 790 Ca 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.82 1pqs n ASN 790 Cb 0.00 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1pqs n PHE 791 N 1.17 0.00 -0.27 -2.53 7.35 -1.26 -4.49 117.46 117.42 1pqs n PHE 791 Ca 0.22 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.86 1pqs n PHE 791 Cb 0.59 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.48 1pqs n PHE 791 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1pqs h ASP 792 N 0.00 0.86 -0.50 -2.13 1.82 -1.99 0.55 116.42 115.03 1pqs h ASP 792 Ca 0.00 -0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.48 1pqs h ASP 792 Cb 0.00 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 1pqs h ASP 792 CO 0.00 0.63 -0.19 -0.78 -1.61 0.00 0.00 179.24 177.29 1pqs h ASP 793 N 1.01 1.03 -0.76 2.28 3.58 -1.91 -1.51 116.42 120.15 1pqs h ASP 793 Ca 0.27 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1pqs h ASP 793 Cb -0.10 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.62 1pqs h ASP 793 CO -0.06 1.19 0.42 0.25 -2.88 0.00 0.00 179.24 178.16 1pqs h LEU 794 N 0.88 0.94 0.14 2.28 5.85 -1.67 -0.67 115.31 123.05 1pqs h LEU 794 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1pqs h LEU 794 Cb 0.77 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pqs h LEU 794 CO 0.06 0.76 -0.07 0.40 -0.34 0.00 0.00 178.44 179.25 1pqs h ILE 795 N 1.04 0.91 -0.55 4.05 1.08 0.40 0.30 117.51 124.74 1pqs h ILE 795 Ca 0.27 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1pqs h ILE 795 Cb 0.02 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1pqs h ILE 795 CO -0.04 0.06 0.23 0.00 -0.69 0.00 0.00 178.15 177.70 1pqs h MET 796 N -0.30 0.79 -0.35 2.37 -0.00 -1.12 0.29 114.93 116.61 1pqs h MET 796 Ca -0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 1pqs h MET 796 Cb 0.24 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.68 1pqs h MET 796 CO 0.03 0.65 0.16 0.00 -0.00 0.00 0.00 176.91 177.74 1pqs h ALA 797 N 1.46 0.45 0.13 -3.00 0.00 -0.88 -0.12 119.26 117.30 1pqs h ALA 797 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pqs h ALA 797 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pqs h ALA 797 CO -0.02 0.03 -0.06 0.82 0.00 0.00 0.00 179.25 180.02 1pqs h ILE 798 N 0.42 0.89 -0.15 0.00 2.04 -0.18 -1.28 117.51 119.25 1pqs h ILE 798 Ca 0.12 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1pqs h ILE 798 Cb 0.15 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1pqs h ILE 798 CO -0.01 0.02 -0.09 0.78 0.00 0.00 0.00 178.15 178.85 1pqs h ASN 799 N -0.21 -0.28 -0.30 1.72 -0.26 -0.25 0.87 115.58 116.87 1pqs h ASN 799 Ca -0.02 0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 1pqs h ASN 799 Cb 0.17 0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1pqs h ASN 799 CO 0.03 -0.12 0.05 0.28 -1.06 0.00 0.00 177.43 176.61 1pqs h SER 800 N -0.08 0.48 -0.32 5.81 0.02 -0.98 -2.68 113.55 115.80 1pqs h SER 800 Ca 0.09 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1pqs h SER 800 Cb 0.21 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pqs h SER 800 CO -0.20 0.62 -0.14 0.11 -1.14 0.00 0.00 176.83 176.09 1pqs h LYS 801 N 0.32 0.66 0.57 3.45 1.57 -1.02 -3.30 116.57 118.82 1pqs h LYS 801 Ca 0.09 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1pqs h LYS 801 Cb 0.35 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1pqs h LYS 801 CO 0.01 0.87 -0.27 0.82 -0.57 0.00 0.00 179.45 180.30 1pqs h ILE 802 N 0.43 0.41 -1.69 1.86 2.04 -0.85 -3.45 117.51 116.26 1pqs h ILE 802 Ca 0.07 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1pqs h ILE 802 Cb 0.66 0.47 -0.24 0.00 -0.74 0.00 0.00 36.82 36.97 1pqs h ILE 802 CO 0.04 0.02 0.19 -0.44 0.00 0.00 0.00 178.15 177.96 1pqs s SER 803 N -4.57 -0.73 0.00 1.72 0.01 -1.01 -5.00 113.70 104.12 1pqs s SER 803 Ca -0.16 1.14 0.28 0.00 1.31 0.00 0.00 55.95 58.51 1pqs s SER 803 Cb 0.03 1.42 1.02 0.00 0.21 0.00 0.00 66.02 68.70 1pqs s SER 803 CO 0.59 -0.18 1.73 -0.46 0.41 0.00 0.00 173.24 175.33 1pqs n ASN 804 N 4.22 1.55 0.00 2.44 2.04 -1.25 -4.44 115.26 119.82 1pqs n ASN 804 Ca -0.18 -1.52 0.00 0.00 -0.44 0.00 0.00 54.58 52.45 1pqs n ASN 804 Cb 0.57 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1pqs n ASN 804 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1pqs n THR 805 N 0.22 0.00 -3.65 5.53 -2.24 -1.26 -5.06 114.28 107.81 1pqs n THR 805 Ca 0.19 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.93 1pqs n THR 805 Cb 0.36 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1pqs n THR 805 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1pqs s HIS 806 N 0.04 -1.18 0.00 4.78 -3.43 -1.26 -4.88 115.29 109.36 1pqs s HIS 806 Ca 0.00 2.15 0.00 0.00 -0.80 0.00 0.00 55.06 56.41 1pqs s HIS 806 Cb 0.00 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.83 1pqs s HIS 806 CO 0.00 -0.60 0.00 0.27 -2.00 0.00 0.00 174.74 172.41 1pqs n ASN 807 N 5.10 0.00 -2.59 7.38 0.23 -1.26 -4.96 115.26 119.15 1pqs n ASN 807 Ca -0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.88 1pqs n ASN 807 Cb 0.52 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.34 1pqs n ASN 807 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pqs n ASN 808 N 0.00 -1.42 0.16 0.53 2.04 -1.26 -4.92 115.26 110.40 1pqs n ASN 808 Ca 0.00 -2.16 0.05 0.00 -0.44 0.00 0.00 54.58 52.04 1pqs n ASN 808 Cb 0.00 0.69 0.07 0.00 -2.53 0.00 0.00 39.78 38.01 1pqs n ASN 808 CO 0.00 0.00 0.00 -1.13 -0.44 0.00 0.00 177.26 175.69 1pqs h ASN 809 N 1.05 0.00 0.01 0.53 -0.73 -1.84 -3.23 115.58 111.38 1pqs h ASN 809 Ca -0.40 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.77 1pqs h ASN 809 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1pqs h ASN 809 CO -0.16 0.35 -0.01 0.40 -0.37 0.00 0.00 177.43 177.64 1pqs h ILE 810 N 0.00 1.46 -2.85 2.57 1.08 -1.93 -3.45 117.51 114.40 1pqs h ILE 810 Ca -0.00 -1.95 -0.14 0.00 -0.39 0.00 0.00 64.86 62.37 1pqs h ILE 810 Cb 1.27 2.70 -0.26 0.00 -3.07 0.00 0.00 36.82 37.45 1pqs h ILE 810 CO 0.05 0.47 -0.35 -0.44 -0.69 0.00 0.00 178.15 177.19 1pqs s SER 811 N -6.02 -0.39 -1.06 1.72 0.01 -1.24 -5.05 113.70 101.68 1pqs s SER 811 Ca -0.16 0.72 -0.07 0.00 1.31 0.00 0.00 55.95 57.75 1pqs s SER 811 Cb -0.02 0.66 -0.09 0.00 0.21 0.00 0.00 66.02 66.78 1pqs s SER 811 CO 0.59 -0.15 2.57 -2.65 0.41 0.00 0.00 173.24 174.01 1pqs n PRO 812 N 3.65 2.65 -0.67 12.44 -0.02 -1.22 -4.39 135.00 147.43 1pqs n PRO 812 Ca -0.19 -1.64 0.00 0.00 -2.02 0.00 0.00 63.50 59.64 1pqs n PRO 812 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.71 0.00 -2.00 4.25 2.08 -1.26 -2.68 119.36 123.45 1pqs n ILE 813 Ca 0.56 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.73 1pqs n ILE 813 Cb 0.26 -0.34 -0.03 0.00 -0.75 0.00 0.00 39.64 38.78 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 -0.40 -2.79 1.39 -2.24 -1.26 -4.79 114.28 102.18 1pqs n THR 814 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1pqs n THR 814 Cb 0.00 -1.80 0.07 0.00 -2.10 0.00 0.00 70.33 66.50 1pqs n THR 814 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pqs n LYS 815 N -2.48 1.61 -2.06 -0.78 3.00 -1.09 -4.93 118.16 111.41 1pqs n LYS 815 Ca -0.16 -3.02 -0.33 0.00 -0.00 0.00 0.00 58.31 54.80 1pqs n LYS 815 Cb 0.57 -1.16 0.01 0.00 0.00 0.00 0.00 35.03 34.44 1pqs n LYS 815 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1pqs s ILE 816 N -2.93 3.69 0.03 3.15 -4.36 -1.25 -4.69 121.20 114.83 1pqs s ILE 816 Ca 0.23 0.83 0.06 0.00 -0.26 0.00 0.00 60.65 61.52 1pqs s ILE 816 Cb 0.36 -3.34 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1pqs s ILE 816 CO -0.05 -0.44 -0.19 -0.75 0.24 0.00 0.00 174.94 173.75 1pqs s LYS 817 N -3.95 1.35 0.04 0.37 2.20 -0.95 -2.88 119.74 115.92 1pqs s LYS 817 Ca 0.65 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 55.49 1pqs s LYS 817 Cb -0.17 -1.40 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 1pqs s LYS 817 CO 0.35 0.37 -0.18 1.52 -0.36 0.00 0.00 175.35 177.04 1pqs s TYR 818 N -0.70 1.61 0.06 4.03 -0.85 0.24 -0.02 117.35 121.72 1pqs s TYR 818 Ca 0.06 -0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.31 1pqs s TYR 818 Cb -0.08 -0.96 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 1pqs s TYR 818 CO 0.01 0.08 -0.16 -1.14 -1.52 0.00 0.00 175.55 172.81 1pqs s GLN 819 N -1.18 0.99 0.03 -3.49 0.74 0.20 -1.14 119.66 115.80 1pqs s GLN 819 Ca 0.05 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.62 1pqs s GLN 819 Cb -0.08 -1.06 -0.02 0.00 1.10 0.00 0.00 33.01 32.94 1pqs s GLN 819 CO 0.02 0.25 -0.22 0.34 -0.55 0.00 0.00 175.29 175.13 1pqs s ASP 820 N -1.47 2.57 0.43 6.67 2.15 -0.81 -0.86 116.67 125.35 1pqs s ASP 820 Ca 0.02 -0.50 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1pqs s ASP 820 Cb -0.09 -0.23 1.28 0.00 -0.30 0.00 0.00 42.92 43.57 1pqs s ASP 820 CO 0.02 0.20 1.71 -0.08 -0.17 0.00 0.00 175.17 176.85 1pqs h GLU 821 N 5.04 0.22 -1.00 4.34 4.57 -1.86 0.18 114.58 126.07 1pqs h GLU 821 Ca -0.42 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 57.86 1pqs h GLU 821 Cb 1.15 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.61 1pqs h GLU 821 CO 0.45 0.15 0.63 0.22 -1.18 0.00 0.00 179.01 179.28 1pqs h ASP 822 N 0.23 0.92 0.00 1.04 3.58 -1.96 -3.45 116.42 116.78 1pqs h ASP 822 Ca 0.70 0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.19 1pqs h ASP 822 Cb 2.04 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.95 1pqs h ASP 822 CO -0.33 0.49 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 1pqs n GLY 823 N -1.35 0.59 3.16 -0.78 0.00 0.61 -5.16 105.19 102.26 1pqs n GLY 823 Ca 0.19 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.84 -0.09 1.61 2.15 -1.15 -4.96 116.67 116.08 1pqs s ASP 824 Ca 0.00 -0.45 0.02 0.00 0.43 0.00 0.00 52.55 52.55 1pqs s ASP 824 Cb 0.00 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.50 1pqs s ASP 824 CO 0.00 0.08 -0.12 -0.36 -0.17 0.00 0.00 175.17 174.60 1pqs s PHE 825 N -0.78 1.58 -0.01 -5.34 0.40 -1.26 -1.92 117.98 110.65 1pqs s PHE 825 Ca 0.03 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.59 1pqs s PHE 825 Cb -0.08 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.28 1pqs s PHE 825 CO 0.01 -0.37 0.22 0.08 0.70 0.00 0.00 175.22 175.86 1pqs s VAL 826 N 0.96 0.06 -0.03 -0.44 1.01 -0.30 -4.99 120.40 116.68 1pqs s VAL 826 Ca -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1pqs s VAL 826 Cb -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1pqs s VAL 826 CO -0.00 -0.29 -0.21 0.54 0.00 0.00 0.00 175.10 175.14 1pqs s VAL 827 N -1.20 1.71 0.12 2.92 0.11 -1.26 0.82 120.40 123.62 1pqs s VAL 827 Ca -0.13 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 1pqs s VAL 827 Cb -0.06 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1pqs s VAL 827 CO 0.03 0.48 -0.16 -1.48 -3.33 0.00 0.00 175.10 170.64 1pqs s LEU 828 N -0.25 2.38 0.00 2.54 0.05 -1.14 -4.97 118.68 117.29 1pqs s LEU 828 Ca 0.02 -0.78 0.00 0.00 0.05 0.00 0.00 54.13 53.42 1pqs s LEU 828 Cb -0.11 -0.63 0.00 0.00 -2.05 0.00 0.00 46.19 43.40 1pqs s LEU 828 CO 0.01 -0.09 0.00 0.61 -0.55 0.00 0.00 176.35 176.33 1pqs n GLY 829 N 0.65 0.00 1.05 -3.48 0.00 -1.26 -4.49 105.19 97.66 1pqs n GLY 829 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1pqs n GLY 829 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pqs n SER 830 N 0.00 -0.57 0.00 1.61 7.64 -1.26 -5.06 113.62 115.98 1pqs n SER 830 Ca 0.00 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1pqs n SER 830 Cb 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1pqs n SER 830 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pqs n ASP 831 N 0.09 0.00 0.09 6.43 8.00 -1.26 -4.27 116.55 125.63 1pqs n ASP 831 Ca -0.20 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.34 1pqs n ASP 831 Cb 0.77 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.32 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1pqs h GLU 832 N 0.00 0.33 -0.54 -1.24 4.57 -1.97 0.25 114.58 115.97 1pqs h GLU 832 Ca 0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1pqs h GLU 832 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1pqs h GLU 832 CO 0.00 0.30 0.13 0.38 -1.18 0.00 0.00 179.01 178.64 1pqs h ASP 833 N 0.33 0.82 -0.38 1.04 3.04 -1.97 0.32 116.42 119.62 1pqs h ASP 833 Ca 0.08 -0.23 -0.11 0.00 -3.24 0.00 0.00 57.03 53.53 1pqs h ASP 833 Cb 0.11 -0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 38.17 1pqs h ASP 833 CO -0.01 0.84 -0.17 -0.25 -2.04 0.00 0.00 179.24 177.61 1pqs h TRP 834 N 0.76 0.97 -0.26 4.15 -0.00 -1.70 -1.56 115.95 118.31 1pqs h TRP 834 Ca 0.17 -0.21 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1pqs h TRP 834 Cb 0.34 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.23 1pqs h TRP 834 CO 0.02 0.96 0.07 -0.91 -0.00 0.00 0.00 178.44 178.58 1pqs h ASN 835 N 0.76 0.05 -0.29 2.65 -0.26 0.26 0.24 115.58 118.99 1pqs h ASN 835 Ca 0.11 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1pqs h ASN 835 Cb 0.70 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.98 1pqs h ASN 835 CO 0.05 0.06 -0.07 -0.37 -1.06 0.00 0.00 177.43 176.04 1pqs h VAL 836 N 0.17 1.24 -0.44 2.81 -1.51 -0.26 0.12 116.25 118.39 1pqs h VAL 836 Ca 0.12 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1pqs h VAL 836 Cb 0.11 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 1pqs h VAL 836 CO -0.14 0.36 0.28 0.00 -1.23 0.00 0.00 177.57 176.83 1pqs h ALA 837 N 1.29 0.56 -0.50 5.19 0.00 -0.42 0.49 119.26 125.88 1pqs h ALA 837 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pqs h ALA 837 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1pqs h ALA 837 CO 0.03 0.04 0.32 0.87 0.00 0.00 0.00 179.25 180.50 1pqs h LYS 838 N 0.59 0.62 -0.37 0.00 1.57 -0.05 0.33 116.57 119.27 1pqs h LYS 838 Ca 0.16 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1pqs h LYS 838 Cb -0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1pqs h LYS 838 CO -0.03 0.41 0.19 0.93 -0.57 0.00 0.00 179.45 180.38 1pqs h GLU 839 N 0.64 0.38 -0.28 3.15 5.08 -0.45 0.10 114.58 123.21 1pqs h GLU 839 Ca 0.19 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1pqs h GLU 839 Cb -0.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1pqs h GLU 839 CO -0.06 0.25 -0.15 1.98 -1.00 0.00 0.00 179.01 180.03 1pqs h MET 840 N 0.39 -0.11 0.29 2.33 4.05 0.68 0.83 114.93 123.39 1pqs h MET 840 Ca 0.15 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1pqs h MET 840 Cb 0.05 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1pqs h MET 840 CO -0.10 -0.07 -0.14 -0.07 0.23 0.00 0.00 176.91 176.76 1pqs h LEU 841 N -0.11 -0.33 -0.42 3.39 3.38 -0.46 0.30 115.31 121.07 1pqs h LEU 841 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1pqs h LEU 841 Cb 0.34 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pqs h LEU 841 CO -0.35 -0.23 -0.05 0.00 0.09 0.00 0.00 178.44 177.90 1pqs h ALA 842 N 0.32 0.57 0.17 1.53 0.00 -0.39 0.18 119.26 121.65 1pqs h ALA 842 Ca -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1pqs h ALA 842 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pqs h ALA 842 CO 0.06 0.40 -0.08 1.49 0.00 0.00 0.00 179.25 181.12 1pqs h GLU 843 N 0.60 -0.23 -0.30 0.00 4.81 0.71 -3.20 114.58 116.98 1pqs h GLU 843 Ca 0.11 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1pqs h GLU 843 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1pqs h GLU 843 CO 0.03 0.14 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.40 1pqs h ASN 844 N -0.64 0.51 0.00 1.04 2.35 -1.00 -3.47 115.58 114.38 1pqs h ASN 844 Ca -0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1pqs h ASN 844 Cb 0.47 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1pqs h ASN 844 CO 0.04 0.69 0.00 -0.46 -1.65 0.00 0.00 177.43 176.05 1pqs n ASN 845 N -4.18 0.00 -4.76 5.81 0.23 0.61 -5.05 115.26 107.91 1pqs n ASN 845 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.66 1pqs n ASN 845 Cb 0.34 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.90 4.45 0.00 -3.83 0.41 -0.95 -4.88 118.70 113.00 1pqs s GLU 846 Ca 0.00 1.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.44 1pqs s GLU 846 Cb 0.00 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1pqs s GLU 846 CO 0.00 0.02 0.00 1.17 -0.49 0.00 0.00 175.26 175.96 1pqs n LYS 847 N 0.84 3.99 -2.00 1.61 4.81 -1.26 -4.21 118.16 121.94 1pqs n LYS 847 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1pqs n LYS 847 Cb 0.45 -0.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.96 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 -0.92 2.50 -0.00 5.64 5.36 -1.26 -3.45 117.98 125.84 1pqs s PHE 848 Ca 0.00 0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.45 1pqs s PHE 848 Cb 0.00 -3.89 -0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1pqs s PHE 848 CO 0.00 -3.54 -0.15 -1.17 -1.46 0.00 0.00 175.22 168.90 1pqs s LEU 849 N 2.65 2.05 0.04 6.12 2.96 0.31 -2.71 118.68 130.11 1pqs s LEU 849 Ca 0.72 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1pqs s LEU 849 Cb -0.38 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 1pqs s LEU 849 CO 0.31 0.17 -0.14 0.20 -1.32 0.00 0.00 176.35 175.56 1pqs s ASN 850 N -0.47 1.64 -0.11 3.68 0.01 -0.04 0.05 114.94 119.70 1pqs s ASN 850 Ca 0.05 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1pqs s ASN 850 Cb -0.06 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.52 1pqs s ASN 850 CO -0.00 0.01 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.82 1pqs s ILE 851 N -0.93 1.45 -0.33 0.60 -1.09 0.15 0.59 121.20 121.64 1pqs s ILE 851 Ca 0.01 -0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 57.70 1pqs s ILE 851 Cb -0.08 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.43 1pqs s ILE 851 CO 0.01 0.43 0.23 -0.60 -1.23 0.00 0.00 174.94 173.79 1pqs s ARG 852 N 1.09 3.60 -1.04 2.79 3.52 0.97 -0.82 118.95 129.05 1pqs s ARG 852 Ca -0.04 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1pqs s ARG 852 Cb -0.14 -3.78 0.18 0.00 -1.56 0.00 0.00 34.95 29.65 1pqs s ARG 852 CO -0.03 -0.39 2.28 1.28 -0.81 0.00 0.00 175.30 177.63 1pqs n LEU 853 N 5.10 7.54 0.00 -0.88 7.99 -1.12 -2.24 117.00 133.40 1pqs n LEU 853 Ca -0.13 -4.86 0.04 0.00 -0.01 0.00 0.00 56.01 51.05 1pqs n LEU 853 Cb 0.50 -1.26 0.25 0.00 -0.11 0.00 0.00 43.42 42.80 1pqs n LEU 853 CO 0.36 1.97 0.47 0.00 -1.51 0.00 0.00 177.39 178.68