#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 3.96 -0.13 1.43 1.03 -1.25 -4.89 118.70 118.84 1pqs s GLU 779 Ca 0.00 2.28 -0.07 0.00 0.03 0.00 0.00 54.97 57.21 1pqs s GLU 779 Cb 0.00 -4.13 -0.04 0.00 -0.80 0.00 0.00 34.13 29.16 1pqs s GLU 779 CO 0.00 -1.13 0.14 -1.50 -1.33 0.00 0.00 175.26 171.43 1pqs s ILE 780 N 4.99 5.48 0.04 1.83 1.10 -1.26 -2.59 121.20 130.79 1pqs s ILE 780 Ca 0.84 0.20 0.06 0.00 -0.51 0.00 0.00 60.65 61.23 1pqs s ILE 780 Cb -0.36 -3.40 -0.02 0.00 0.15 0.00 0.00 42.46 38.82 1pqs s ILE 780 CO 0.36 0.59 -0.16 0.12 -2.11 0.00 0.00 174.94 173.73 1pqs s PHE 781 N -0.81 1.43 -0.06 3.50 5.36 -0.23 -4.96 117.98 122.21 1pqs s PHE 781 Ca 0.14 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.78 1pqs s PHE 781 Cb -0.12 -0.85 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 1pqs s PHE 781 CO 0.03 0.05 -0.15 0.99 -1.46 0.00 0.00 175.22 174.69 1pqs s THR 782 N -0.82 1.31 -0.06 0.12 2.01 -1.26 -0.10 115.64 116.84 1pqs s THR 782 Ca 0.04 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 1pqs s THR 782 Cb -0.08 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.29 1pqs s THR 782 CO 0.01 0.39 0.33 -0.22 -0.69 0.00 0.00 174.62 174.44 1pqs s LEU 783 N 0.46 0.78 -0.14 4.42 2.96 0.15 -4.98 118.68 122.32 1pqs s LEU 783 Ca -0.12 0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1pqs s LEU 783 Cb -0.15 1.24 0.03 0.00 0.50 0.00 0.00 46.19 47.81 1pqs s LEU 783 CO 0.04 -0.33 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.42 1pqs s LEU 784 N -0.77 1.56 0.11 -0.68 2.96 -1.26 -0.92 118.68 119.68 1pqs s LEU 784 Ca -0.09 -0.49 -0.31 0.00 -0.22 0.00 0.00 54.13 53.02 1pqs s LEU 784 Cb -0.04 -1.03 -0.08 0.00 0.50 0.00 0.00 46.19 45.54 1pqs s LEU 784 CO 0.03 -0.11 1.44 0.68 -1.32 0.00 0.00 176.35 177.07 1pqs s VAL 785 N 1.58 3.21 0.00 1.68 -7.23 -1.26 -4.99 120.40 113.39 1pqs s VAL 785 Ca 0.04 0.84 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 1pqs s VAL 785 Cb -0.13 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.27 1pqs s VAL 785 CO -0.09 0.06 0.00 1.21 -0.31 0.00 0.00 175.10 175.96 1pqs n GLU 786 N 4.17 0.00 -0.70 4.82 4.07 -1.26 -4.78 120.64 126.97 1pqs n GLU 786 Ca 0.12 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 1pqs n GLU 786 Cb 0.42 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.69 1pqs n GLU 786 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1pqs n LYS 787 N 0.00 1.41 -3.15 5.31 0.00 -1.26 -4.68 118.16 115.79 1pqs n LYS 787 Ca 0.00 -0.60 -0.03 0.00 -0.00 0.00 0.00 58.31 57.68 1pqs n LYS 787 Cb 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 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 2.34 -9.36 -1.69 0.58 0.31 -1.26 -4.88 118.33 104.37 1pqs n VAL 788 Ca 0.26 -0.18 -0.44 0.00 -0.01 0.00 0.00 64.34 63.96 1pqs n VAL 788 Cb 0.65 -6.45 -0.02 0.00 -0.91 0.00 0.00 33.84 27.11 1pqs n VAL 788 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1pqs n TRP 789 N -1.83 2.31 -1.60 3.52 8.01 -1.26 -4.90 117.44 121.69 1pqs n TRP 789 Ca -0.04 0.39 -0.32 0.00 -1.31 0.00 0.00 57.50 56.22 1pqs n TRP 789 Cb 0.52 -2.49 -0.00 0.00 -2.01 0.00 0.00 31.31 27.33 1pqs n TRP 789 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1pqs n ASN 790 N 2.21 6.97 0.00 -0.99 5.15 -1.26 -4.81 115.26 122.52 1pqs n ASN 790 Ca 0.11 -3.48 0.00 0.00 -0.60 0.00 0.00 54.58 50.61 1pqs n ASN 790 Cb 0.32 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 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 0.16 0.00 -0.28 1.20 7.35 -1.26 -4.35 117.46 120.29 1pqs n PHE 791 Ca 0.50 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 57.15 1pqs n PHE 791 Cb 0.44 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.34 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 0.91 -0.62 -2.13 3.58 -1.98 0.44 116.42 116.62 1pqs h ASP 792 Ca 0.00 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1pqs h ASP 792 Cb 0.00 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 1pqs h ASP 792 CO 0.00 0.70 0.20 0.44 -2.88 0.00 0.00 179.24 177.70 1pqs h ASP 793 N 1.04 0.89 -0.72 2.28 3.32 -1.91 0.12 116.42 121.45 1pqs h ASP 793 Ca 0.27 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1pqs h ASP 793 Cb -0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1pqs h ASP 793 CO -0.05 0.86 0.25 0.25 -1.72 0.00 0.00 179.24 178.83 1pqs h LEU 794 N 0.88 1.02 -0.29 1.55 5.85 -1.66 -1.39 115.31 121.28 1pqs h LEU 794 Ca 0.20 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1pqs h LEU 794 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1pqs h LEU 794 CO -0.01 0.94 0.06 0.40 -0.34 0.00 0.00 178.44 179.49 1pqs h ILE 795 N 1.05 1.22 -0.61 4.05 1.08 0.36 -0.92 117.51 123.74 1pqs h ILE 795 Ca 0.24 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1pqs h ILE 795 Cb 0.27 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1pqs h ILE 795 CO -0.01 0.25 0.29 0.00 -0.69 0.00 0.00 178.15 177.99 1pqs h MET 796 N 0.30 0.87 -0.34 2.37 -0.00 -0.54 0.57 114.93 118.16 1pqs h MET 796 Ca 0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 1pqs h MET 796 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.74 1pqs h MET 796 CO 0.00 0.68 0.10 0.00 -0.00 0.00 0.00 176.91 177.69 1pqs h ALA 797 N 1.45 0.44 -0.39 -3.00 0.00 -1.05 -1.28 119.26 115.44 1pqs h ALA 797 Ca 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pqs h ALA 797 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1pqs h ALA 797 CO -0.03 0.08 0.23 0.82 0.00 0.00 0.00 179.25 180.36 1pqs h ILE 798 N 0.39 1.05 -0.23 0.00 2.04 -0.26 -1.61 117.51 118.89 1pqs h ILE 798 Ca 0.11 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1pqs h ILE 798 Cb 0.25 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1pqs h ILE 798 CO -0.00 0.09 0.13 0.78 0.00 0.00 0.00 178.15 179.14 1pqs h ASN 799 N 0.47 0.20 -0.11 1.72 -0.26 0.44 0.73 115.58 118.79 1pqs h ASN 799 Ca 0.15 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.87 1pqs h ASN 799 Cb -0.00 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1pqs h ASN 799 CO -0.06 0.15 -0.05 0.77 -1.06 0.00 0.00 177.43 177.17 1pqs h SER 800 N 0.27 0.23 -0.21 5.81 4.64 -1.14 -3.33 113.55 119.81 1pqs h SER 800 Ca 0.09 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1pqs h SER 800 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1pqs h SER 800 CO -0.05 0.60 -0.14 0.11 -0.87 0.00 0.00 176.83 176.48 1pqs h LYS 801 N -0.13 0.47 -6.68 4.77 1.57 -1.21 -3.43 116.57 111.93 1pqs h LYS 801 Ca 0.02 -0.22 -0.51 0.00 -1.87 0.00 0.00 60.65 58.08 1pqs h LYS 801 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1pqs h LYS 801 CO 0.02 0.77 0.40 0.42 -0.57 0.00 0.00 179.45 180.49 1pqs s ILE 802 N -4.49 4.08 0.00 1.86 1.01 0.24 -5.05 121.20 118.85 1pqs s ILE 802 Ca -0.14 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1pqs s ILE 802 Cb 0.07 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1pqs s ILE 802 CO 0.77 0.37 0.00 -0.24 0.00 0.00 0.00 174.94 175.84 1pqs n SER 803 N 2.09 0.00 -3.43 3.58 2.88 -1.26 -4.78 113.62 112.70 1pqs n SER 803 Ca 0.01 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.18 1pqs n SER 803 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 1pqs n SER 803 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pqs n ASN 804 N 0.00 5.98 0.28 -3.46 2.04 -1.25 -4.49 115.26 114.36 1pqs n ASN 804 Ca 0.00 -2.60 -0.16 0.00 -0.44 0.00 0.00 54.58 51.37 1pqs n ASN 804 Cb 0.00 -1.44 -0.08 0.00 -2.53 0.00 0.00 39.78 35.73 1pqs n ASN 804 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 1pqs h THR 805 N 3.52 0.43 0.00 5.53 1.35 -1.92 -3.43 112.91 118.40 1pqs h THR 805 Ca 0.67 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.53 1pqs h THR 805 Cb 0.40 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1pqs h THR 805 CO 1.77 0.00 -0.13 1.41 -0.25 0.00 0.00 175.52 178.32 1pqs n HIS 806 N -5.41 0.00 -3.79 4.73 8.25 -1.26 -5.01 115.22 112.73 1pqs n HIS 806 Ca -0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.07 1pqs n HIS 806 Cb 0.31 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.19 1pqs n HIS 806 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1pqs s ASN 807 N -5.49 2.84 0.00 0.41 -0.87 -1.26 -5.09 114.94 105.48 1pqs s ASN 807 Ca -0.04 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.51 1pqs s ASN 807 Cb 0.01 -0.70 0.00 0.00 -0.02 0.00 0.00 41.25 40.53 1pqs s ASN 807 CO 0.05 -0.26 0.00 -0.46 -2.57 0.00 0.00 177.10 173.86 1pqs n ASN 808 N 4.99 0.00 -1.98 -1.22 0.23 -1.26 -4.57 115.26 111.44 1pqs n ASN 808 Ca -0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.94 1pqs n ASN 808 Cb 0.47 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.20 1pqs n ASN 808 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1pqs n ASN 809 N 0.58 -0.55 -0.08 0.53 5.15 -1.26 -3.75 115.26 115.88 1pqs n ASN 809 Ca 0.00 -1.39 -0.13 0.00 -0.60 0.00 0.00 54.58 52.45 1pqs n ASN 809 Cb 0.00 0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.55 1pqs n ASN 809 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1pqs h ILE 810 N 0.86 1.31 -3.47 -1.44 1.08 -1.91 -3.42 117.51 110.51 1pqs h ILE 810 Ca -0.21 -1.48 -0.48 0.00 -0.39 0.00 0.00 64.86 62.30 1pqs h ILE 810 Cb 1.11 1.68 -0.33 0.00 -3.07 0.00 0.00 36.82 36.20 1pqs h ILE 810 CO -0.08 0.47 -0.80 -0.44 -0.69 0.00 0.00 178.15 176.60 1pqs s SER 811 N -6.52 1.51 0.00 1.72 0.01 -1.26 -4.94 113.70 104.23 1pqs s SER 811 Ca -0.13 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.85 1pqs s SER 811 Cb 0.08 -0.68 -0.18 0.00 0.21 0.00 0.00 66.02 65.45 1pqs s SER 811 CO 0.82 0.02 2.62 -2.65 0.41 0.00 0.00 173.24 174.46 1pqs n PRO 812 N 3.81 1.35 0.00 12.44 -0.02 -1.26 -4.48 135.00 146.85 1pqs n PRO 812 Ca -0.23 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 60.57 1pqs n PRO 812 Cb 0.52 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.66 0.00 -1.08 4.25 2.08 -1.26 -3.40 119.36 122.60 1pqs n ILE 813 Ca 0.29 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.57 1pqs n ILE 813 Cb 0.62 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.50 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 -1.97 0.00 -2.11 1.39 -2.24 -1.26 -4.82 114.28 103.27 1pqs n THR 814 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1pqs n THR 814 Cb 0.00 -1.14 0.02 0.00 -2.10 0.00 0.00 70.33 67.11 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 0.52 3.18 -3.02 -0.78 4.76 -1.22 -4.91 118.16 116.70 1pqs n LYS 815 Ca -0.03 -4.03 -0.38 0.00 -2.87 0.00 0.00 58.31 51.00 1pqs n LYS 815 Cb 0.53 -2.27 -0.06 0.00 -1.84 0.00 0.00 35.03 31.39 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 -5.17 4.43 0.03 -0.18 -4.36 -1.26 -4.69 121.20 109.99 1pqs s ILE 816 Ca 0.52 1.57 0.06 0.00 -0.26 0.00 0.00 60.65 62.54 1pqs s ILE 816 Cb 0.43 -4.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 1pqs s ILE 816 CO -0.20 0.41 -0.18 -0.75 0.24 0.00 0.00 174.94 174.47 1pqs s LYS 817 N -1.43 1.26 0.07 0.37 2.20 -1.05 -2.91 119.74 118.24 1pqs s LYS 817 Ca 0.38 -0.80 0.07 0.00 -0.36 0.00 0.00 55.97 55.26 1pqs s LYS 817 Cb -0.21 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 1pqs s LYS 817 CO 0.24 0.34 -0.19 1.52 -0.36 0.00 0.00 175.35 176.90 1pqs s TYR 818 N -0.70 1.62 0.04 4.03 -0.85 0.25 0.43 117.35 122.16 1pqs s TYR 818 Ca 0.06 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1pqs s TYR 818 Cb -0.08 -0.93 -0.02 0.00 0.38 0.00 0.00 41.96 41.31 1pqs s TYR 818 CO 0.01 0.12 -0.19 -1.14 -1.52 0.00 0.00 175.55 172.83 1pqs s GLN 819 N -1.49 1.26 0.07 -3.49 0.74 0.19 -0.81 119.66 116.12 1pqs s GLN 819 Ca 0.05 -0.87 0.07 0.00 0.05 0.00 0.00 55.36 54.66 1pqs s GLN 819 Cb -0.09 -1.33 -0.03 0.00 1.10 0.00 0.00 33.01 32.65 1pqs s GLN 819 CO 0.03 0.34 -0.19 0.16 -0.55 0.00 0.00 175.29 175.08 1pqs s ASP 820 N -1.12 2.26 0.27 6.67 1.47 -0.79 -0.24 116.67 125.19 1pqs s ASP 820 Ca 0.06 -0.60 0.19 0.00 1.18 0.00 0.00 52.55 53.38 1pqs s ASP 820 Cb -0.08 -0.14 0.93 0.00 -0.34 0.00 0.00 42.92 43.29 1pqs s ASP 820 CO 0.01 0.06 0.99 1.21 0.68 0.00 0.00 175.17 178.13 1pqs n GLU 821 N 1.42 -0.03 0.16 2.11 2.13 -0.91 0.10 120.64 125.63 1pqs n GLU 821 Ca -0.19 0.81 0.06 0.00 0.66 0.00 0.00 57.16 58.50 1pqs n GLU 821 Cb 0.54 -1.57 0.52 0.00 0.27 0.00 0.00 31.44 31.20 1pqs n GLU 821 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1pqs h ASP 822 N 0.00 0.17 0.00 4.31 3.58 -1.95 -3.46 116.42 119.06 1pqs h ASP 822 Ca 0.55 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.99 1pqs h ASP 822 Cb 1.73 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.73 1pqs h ASP 822 CO -0.33 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 176.82 1pqs n GLY 823 N -1.34 0.69 3.08 -0.78 0.00 0.29 -5.13 105.19 101.99 1pqs n GLY 823 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 1.01 -0.09 1.61 2.15 -1.17 -4.96 116.67 114.35 1pqs s ASP 824 Ca 0.00 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.47 1pqs s ASP 824 Cb 0.00 0.01 0.01 0.00 -0.30 0.00 0.00 42.92 42.64 1pqs s ASP 824 CO 0.00 -0.16 -0.19 -0.36 -0.17 0.00 0.00 175.17 174.29 1pqs s PHE 825 N -1.29 2.12 0.01 -5.34 0.40 -1.26 -1.89 117.98 110.74 1pqs s PHE 825 Ca -0.08 -0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 55.37 1pqs s PHE 825 Cb -0.10 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 1pqs s PHE 825 CO 0.01 -0.38 0.02 0.08 0.70 0.00 0.00 175.22 175.65 1pqs s VAL 826 N 0.53 0.09 -0.05 -0.44 1.01 0.01 -4.97 120.40 116.58 1pqs s VAL 826 Ca -0.16 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1pqs s VAL 826 Cb -0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1pqs s VAL 826 CO 0.06 -0.40 -0.21 0.54 0.00 0.00 0.00 175.10 175.09 1pqs s VAL 827 N -1.24 1.73 0.15 2.92 0.11 -1.26 0.85 120.40 123.65 1pqs s VAL 827 Ca -0.14 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 1pqs s VAL 827 Cb -0.08 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1pqs s VAL 827 CO -0.00 0.49 -0.14 -1.48 -3.33 0.00 0.00 175.10 170.64 1pqs s LEU 828 N -0.08 2.46 0.00 2.54 0.05 -1.15 -4.98 118.68 117.54 1pqs s LEU 828 Ca -0.03 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.25 1pqs s LEU 828 Cb -0.12 -0.56 0.00 0.00 -2.05 0.00 0.00 46.19 43.46 1pqs s LEU 828 CO 0.03 -0.18 0.00 0.61 -0.55 0.00 0.00 176.35 176.26 1pqs n GLY 829 N 0.18 0.00 0.99 -3.48 0.00 -1.26 -4.51 105.19 97.11 1pqs n GLY 829 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 0.00 1.61 2.88 -1.26 -5.04 113.62 111.42 1pqs n SER 830 Ca 0.00 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 1pqs n SER 830 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1pqs n SER 830 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pqs n ASP 831 N 0.10 0.00 -0.22 -3.46 9.92 -1.26 -4.38 116.55 117.25 1pqs n ASP 831 Ca -0.15 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.09 1pqs n ASP 831 Cb 0.76 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.32 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1pqs h GLU 832 N 0.00 0.62 -0.43 -1.24 4.22 -1.99 0.16 114.58 115.93 1pqs h GLU 832 Ca 0.00 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.46 1pqs h GLU 832 Cb 0.00 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1pqs h GLU 832 CO 0.00 0.41 0.13 0.38 -2.18 0.00 0.00 179.01 177.75 1pqs h ASP 833 N 0.64 0.11 -0.77 1.04 2.03 -1.94 -0.56 116.42 116.97 1pqs h ASP 833 Ca 0.28 0.06 -0.05 0.00 -0.73 0.00 0.00 57.03 56.59 1pqs h ASP 833 Cb 0.17 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.69 1pqs h ASP 833 CO -0.18 0.09 0.31 -0.25 -1.03 0.00 0.00 179.24 178.18 1pqs h TRP 834 N 0.28 1.17 -0.94 4.15 -0.00 -1.63 -1.59 115.95 117.40 1pqs h TRP 834 Ca 0.20 -0.09 0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1pqs h TRP 834 Cb 0.21 -0.35 -0.05 0.00 -0.00 0.00 0.00 29.16 28.97 1pqs h TRP 834 CO -0.17 0.89 0.62 -0.97 -0.00 0.00 0.00 178.44 178.81 1pqs h ASN 835 N 1.13 1.06 -0.45 2.65 -1.24 0.35 0.56 115.58 119.64 1pqs h ASN 835 Ca 0.26 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1pqs h ASN 835 Cb 0.22 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1pqs h ASN 835 CO -0.02 0.75 0.29 0.58 -1.29 0.00 0.00 177.43 177.74 1pqs h VAL 836 N 1.24 1.12 -0.24 2.57 2.07 -0.59 0.10 116.25 122.52 1pqs h VAL 836 Ca 0.36 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1pqs h VAL 836 Cb -0.09 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1pqs h VAL 836 CO -0.09 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.66 1pqs h ALA 837 N 1.16 0.24 -0.06 1.67 0.00 -0.26 0.31 119.26 122.32 1pqs h ALA 837 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1pqs h ALA 837 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pqs h ALA 837 CO -0.03 -0.38 -0.01 0.87 0.00 0.00 0.00 179.25 179.70 1pqs h LYS 838 N 0.13 0.01 -0.61 0.00 1.57 -0.59 -1.24 116.57 115.85 1pqs h LYS 838 Ca 0.11 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1pqs h LYS 838 Cb 0.11 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1pqs h LYS 838 CO -0.15 0.00 0.38 0.93 -0.57 0.00 0.00 179.45 180.04 1pqs h GLU 839 N 0.01 0.74 -0.12 3.15 4.39 -0.63 -0.36 114.58 121.76 1pqs h GLU 839 Ca 0.03 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1pqs h GLU 839 Cb 0.04 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 1pqs h GLU 839 CO -0.06 0.49 -0.27 1.98 -1.16 0.00 0.00 179.01 179.99 1pqs h MET 840 N 0.76 -0.33 0.70 2.33 1.85 -0.02 0.56 114.93 120.77 1pqs h MET 840 Ca 0.24 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.32 1pqs h MET 840 Cb -0.01 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1pqs h MET 840 CO -0.09 -0.22 -0.39 -0.07 -0.40 0.00 0.00 176.91 175.74 1pqs h LEU 841 N -0.34 -0.96 -0.32 3.39 3.38 -0.82 -1.64 115.31 118.00 1pqs h LEU 841 Ca 0.10 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1pqs h LEU 841 Cb 0.49 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1pqs h LEU 841 CO -0.31 -0.62 0.04 0.00 0.09 0.00 0.00 178.44 177.63 1pqs h ALA 842 N -0.75 0.42 0.12 1.53 0.00 -0.86 -0.14 119.26 119.58 1pqs h ALA 842 Ca -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1pqs h ALA 842 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pqs h ALA 842 CO 0.12 0.13 -0.06 0.93 0.00 0.00 0.00 179.25 180.37 1pqs h GLU 843 N 0.36 -0.16 0.44 0.00 4.39 0.08 -3.36 114.58 116.34 1pqs h GLU 843 Ca 0.10 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1pqs h GLU 843 Cb 0.36 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1pqs h GLU 843 CO 0.01 0.23 -0.21 -0.91 -1.16 0.00 0.00 179.01 176.97 1pqs h ASN 844 N -0.58 -0.50 0.00 1.42 2.35 -1.35 -3.48 115.58 113.43 1pqs h ASN 844 Ca -0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1pqs h ASN 844 Cb 0.46 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1pqs h ASN 844 CO 0.03 -0.08 0.00 -0.46 -1.65 0.00 0.00 177.43 175.27 1pqs n ASN 845 N -5.18 0.00 -4.46 5.81 0.23 -0.16 -5.09 115.26 106.41 1pqs n ASN 845 Ca -0.09 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.68 1pqs n ASN 845 Cb 0.28 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.23 1pqs n ASN 845 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1pqs n GLU 846 N 0.00 -2.43 0.00 -3.83 0.00 -0.64 -4.84 120.64 108.89 1pqs n GLU 846 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 57.16 56.48 1pqs n GLU 846 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.30 1pqs n GLU 846 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1pqs n LYS 847 N -4.80 0.36 -1.69 3.44 3.00 -1.26 -3.99 118.16 113.23 1pqs n LYS 847 Ca 0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.89 1pqs n LYS 847 Cb 0.54 -0.17 -0.04 0.00 0.00 0.00 0.00 35.03 35.37 1pqs n LYS 847 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1pqs n PHE 848 N -0.41 2.46 -4.55 5.64 7.35 -1.26 -4.09 117.46 122.60 1pqs n PHE 848 Ca 0.00 0.10 -0.21 0.00 -0.76 0.00 0.00 57.45 56.58 1pqs n PHE 848 Cb 0.00 -2.63 -0.15 0.00 0.35 0.00 0.00 39.48 37.05 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 1.73 1.97 0.05 -2.13 2.96 -0.10 -2.14 118.68 121.02 1pqs s LEU 849 Ca 0.80 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.54 1pqs s LEU 849 Cb -0.60 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 1pqs s LEU 849 CO 0.38 0.14 -0.16 0.20 -1.32 0.00 0.00 176.35 175.59 1pqs s ASN 850 N -0.18 1.86 -0.11 3.68 0.01 0.67 0.33 114.94 121.20 1pqs s ASN 850 Ca 0.03 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1pqs s ASN 850 Cb -0.06 -0.11 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 -0.93 1.39 -0.19 0.60 -1.09 0.85 0.54 121.20 122.36 1pqs s ILE 851 Ca 0.02 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.80 1pqs s ILE 851 Cb -0.08 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1pqs s ILE 851 CO 0.02 0.42 0.08 -0.60 -1.23 0.00 0.00 174.94 173.62 1pqs s ARG 852 N 1.09 4.02 -0.89 2.79 3.52 0.17 -1.06 118.95 128.59 1pqs s ARG 852 Ca -0.05 -0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1pqs s ARG 852 Cb -0.14 -3.26 0.26 0.00 -1.56 0.00 0.00 34.95 30.25 1pqs s ARG 852 CO -0.03 0.28 1.00 1.28 -0.81 0.00 0.00 175.30 177.02 1pqs n LEU 853 N 3.52 4.80 0.00 -0.88 4.77 -1.07 -2.54 117.00 125.61 1pqs n LEU 853 Ca -0.16 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 1pqs n LEU 853 Cb 0.52 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1pqs n LEU 853 CO 0.36 1.74 0.13 0.00 -1.33 0.00 0.00 177.39 178.29