#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 -5.68 0.00 4.33 1.02 -1.25 -4.93 120.64 114.13 1pqs n GLU 779 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1pqs n GLU 779 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 1pqs n GLU 779 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1pqs n ILE 780 N -4.46 0.00 -3.76 -3.67 0.00 -1.25 -4.79 119.36 101.42 1pqs n ILE 780 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 62.75 62.45 1pqs n ILE 780 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 39.64 40.17 1pqs n ILE 780 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1pqs s PHE 781 N 0.00 -0.25 -0.06 9.51 5.36 0.03 -4.94 117.98 127.63 1pqs s PHE 781 Ca 0.00 0.49 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 1pqs s PHE 781 Cb 0.00 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1pqs s PHE 781 CO 0.00 -0.32 -0.16 -0.08 -1.46 0.00 0.00 175.22 173.20 1pqs s THR 782 N -0.83 1.40 -0.04 0.12 -1.32 -1.26 0.49 115.64 114.20 1pqs s THR 782 Ca -0.09 -0.67 -0.15 0.00 -1.21 0.00 0.00 61.69 59.57 1pqs s THR 782 Cb -0.04 -1.22 0.03 0.00 -1.51 0.00 0.00 72.50 69.75 1pqs s THR 782 CO 0.03 0.41 0.34 -0.22 -2.21 0.00 0.00 174.62 172.96 1pqs s LEU 783 N 0.29 0.74 -0.16 9.08 2.96 0.03 -4.98 118.68 126.64 1pqs s LEU 783 Ca -0.09 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1pqs s LEU 783 Cb -0.14 1.32 0.03 0.00 0.50 0.00 0.00 46.19 47.90 1pqs s LEU 783 CO 0.04 -0.40 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.32 1pqs s LEU 784 N -1.05 1.77 0.21 -0.68 2.96 -1.26 -2.02 118.68 118.62 1pqs s LEU 784 Ca -0.11 -0.57 -0.31 0.00 -0.22 0.00 0.00 54.13 52.93 1pqs s LEU 784 Cb -0.04 -1.15 -0.10 0.00 0.50 0.00 0.00 46.19 45.39 1pqs s LEU 784 CO 0.04 -0.09 1.50 0.68 -1.32 0.00 0.00 176.35 177.16 1pqs s VAL 785 N 1.49 2.63 0.00 1.68 -7.23 -1.26 -5.00 120.40 112.72 1pqs s VAL 785 Ca 0.03 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 1pqs s VAL 785 Cb -0.14 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1pqs s VAL 785 CO -0.10 0.06 0.00 -0.62 -0.31 0.00 0.00 175.10 174.13 1pqs n GLU 786 N 3.04 0.00 -0.43 4.82 1.02 -1.26 -4.78 120.64 123.05 1pqs n GLU 786 Ca 0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.22 1pqs n GLU 786 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.78 1pqs n GLU 786 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1pqs n LYS 787 N 0.00 0.87 -2.75 3.49 0.00 -1.26 -4.70 118.16 113.81 1pqs n LYS 787 Ca 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 58.31 58.06 1pqs n LYS 787 Cb 0.00 -1.35 0.01 0.00 -0.00 0.00 0.00 35.03 33.69 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 1.94-10.71 -1.96 0.58 0.31 -1.26 -4.93 118.33 102.30 1pqs n VAL 788 Ca 0.08 0.99 -0.41 0.00 -0.01 0.00 0.00 64.34 64.99 1pqs n VAL 788 Cb 0.42 -7.06 -0.02 0.00 -0.91 0.00 0.00 33.84 26.27 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 -2.36 2.88 -0.17 3.52 0.51 -1.26 -4.90 118.94 117.15 1pqs s TRP 789 Ca 0.20 1.16 -0.01 0.00 -2.12 0.00 0.00 56.10 55.33 1pqs s TRP 789 Cb -0.06 -3.86 0.08 0.00 -0.81 0.00 0.00 33.47 28.82 1pqs s TRP 789 CO 0.72 -2.60 2.18 -1.71 -0.51 0.00 0.00 176.95 175.03 1pqs n ASN 790 N 1.31 5.92 0.00 2.95 4.05 -1.26 -4.80 115.26 123.42 1pqs n ASN 790 Ca 0.03 -2.76 0.00 0.00 0.45 0.00 0.00 54.58 52.30 1pqs n ASN 790 Cb 0.40 -1.13 0.00 0.00 1.23 0.00 0.00 39.78 40.29 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 1.02 0.00 -0.22 1.20 7.35 -1.26 -4.30 117.46 121.24 1pqs n PHE 791 Ca 0.20 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.82 1pqs n PHE 791 Cb 0.57 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.44 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 0.78 -0.75 -2.13 1.82 -1.99 0.49 116.42 114.65 1pqs h ASP 792 Ca 0.00 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1pqs h ASP 792 Cb 0.00 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.78 1pqs h ASP 792 CO 0.00 0.64 0.38 0.44 -1.61 0.00 0.00 179.24 179.09 1pqs h ASP 793 N 0.85 0.96 -0.55 2.28 5.19 -1.91 0.11 116.42 123.36 1pqs h ASP 793 Ca 0.22 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1pqs h ASP 793 Cb 0.03 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 1pqs h ASP 793 CO -0.04 0.81 0.17 0.25 -3.12 0.00 0.00 179.24 177.31 1pqs h LEU 794 N 1.04 0.80 0.10 1.55 5.85 -1.67 -0.72 115.31 122.26 1pqs h LEU 794 Ca 0.26 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pqs h LEU 794 Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1pqs h LEU 794 CO -0.04 0.79 -0.05 0.40 -0.34 0.00 0.00 178.44 179.21 1pqs h ILE 795 N 0.76 0.95 -0.56 4.05 1.08 0.68 0.52 117.51 125.00 1pqs h ILE 795 Ca 0.18 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1pqs h ILE 795 Cb 0.28 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1pqs h ILE 795 CO -0.01 0.04 0.21 0.00 -0.69 0.00 0.00 178.15 177.71 1pqs h MET 796 N -0.21 0.81 0.11 2.37 -0.00 -0.71 0.19 114.93 117.51 1pqs h MET 796 Ca -0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.70 59.55 1pqs h MET 796 Cb 0.17 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1pqs h MET 796 CO 0.02 0.68 -0.05 0.00 -0.00 0.00 0.00 176.91 177.55 1pqs h ALA 797 N 1.43 -0.15 -0.26 -3.00 0.00 -0.87 0.54 119.26 116.94 1pqs h ALA 797 Ca 0.19 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pqs h ALA 797 Cb 0.18 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1pqs h ALA 797 CO -0.02 -0.53 -0.11 0.82 0.00 0.00 0.00 179.25 179.42 1pqs h ILE 798 N -0.27 0.65 0.02 0.00 2.04 -0.37 0.36 117.51 119.94 1pqs h ILE 798 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1pqs h ILE 798 Cb 0.22 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1pqs h ILE 798 CO 0.03 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.87 1pqs h ASN 799 N -0.06 -0.23 -0.60 1.72 -0.26 -0.44 -0.79 115.58 114.93 1pqs h ASN 799 Ca 0.13 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1pqs h ASN 799 Cb 0.27 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1pqs h ASN 799 CO -0.30 -0.12 0.06 -1.28 -1.06 0.00 0.00 177.43 174.72 1pqs h SER 800 N -0.15 1.00 -0.39 5.81 0.87 -0.58 -0.94 113.55 119.17 1pqs h SER 800 Ca 0.02 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 1pqs h SER 800 Cb 0.18 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1pqs h SER 800 CO -0.07 1.02 -0.15 0.11 -0.53 0.00 0.00 176.83 177.21 1pqs h LYS 801 N 0.96 0.79 0.12 2.24 1.79 -0.72 -0.84 116.57 120.90 1pqs h LYS 801 Ca 0.18 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1pqs h LYS 801 Cb 0.48 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1pqs h LYS 801 CO 0.02 0.95 -0.06 0.82 -1.08 0.00 0.00 179.45 180.10 1pqs h ILE 802 N 0.59 1.03 -0.93 1.86 2.04 -1.06 -3.33 117.51 117.71 1pqs h ILE 802 Ca 0.09 -1.18 -0.60 0.00 1.00 0.00 0.00 64.86 64.17 1pqs h ILE 802 Cb 0.70 1.70 -0.30 0.00 -0.74 0.00 0.00 36.82 38.18 1pqs h ILE 802 CO 0.05 0.26 0.58 -1.20 0.00 0.00 0.00 178.15 177.84 1pqs n SER 803 N -4.90 6.33 -0.22 1.72 7.64 -0.37 -4.73 113.62 119.09 1pqs n SER 803 Ca -0.08 -3.75 0.02 0.00 1.01 0.00 0.00 58.87 56.07 1pqs n SER 803 Cb 0.28 -0.86 0.14 0.00 -1.01 0.00 0.00 64.21 62.76 1pqs n SER 803 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1pqs h ASN 804 N 1.77 0.15 0.31 6.43 -0.00 -1.26 0.76 115.58 123.74 1pqs h ASN 804 Ca 0.56 0.10 -0.25 0.00 -0.00 0.00 0.00 56.30 56.72 1pqs h ASN 804 Cb 1.34 0.11 0.01 0.00 -0.00 0.00 0.00 38.32 39.78 1pqs h ASN 804 CO 1.34 0.07 -1.05 0.00 -0.00 0.00 0.00 177.43 177.78 1pqs h THR 805 N 0.36 1.38 0.08 -3.57 1.03 -1.85 -3.39 112.91 106.96 1pqs h THR 805 Ca 0.35 -2.52 -0.00 0.00 -0.01 0.00 0.00 66.41 64.23 1pqs h THR 805 Cb 0.51 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 1pqs h THR 805 CO -0.39 0.75 -0.04 0.45 -0.01 0.00 0.00 175.52 176.29 1pqs h HIS 806 N 0.23 -0.10 -1.52 0.00 3.86 -1.76 -3.50 115.15 112.37 1pqs h HIS 806 Ca -0.11 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.29 1pqs h HIS 806 Cb 1.71 0.03 -0.21 0.00 1.06 0.00 0.00 27.41 30.00 1pqs h HIS 806 CO 0.07 0.06 0.74 1.21 0.86 0.00 0.00 177.93 180.88 1pqs s ASN 807 N -5.50 -0.20 0.17 2.45 2.47 0.20 -5.00 114.94 109.54 1pqs s ASN 807 Ca -0.04 0.10 0.11 0.00 0.42 0.00 0.00 52.86 53.44 1pqs s ASN 807 Cb -0.00 0.19 0.59 0.00 -1.45 0.00 0.00 41.25 40.58 1pqs s ASN 807 CO 0.14 -0.27 1.32 -0.46 -3.72 0.00 0.00 177.10 174.11 1pqs n ASN 808 N 0.18 0.28 -0.83 -4.21 0.23 -1.26 -4.36 115.26 105.30 1pqs n ASN 808 Ca -0.03 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1pqs n ASN 808 Cb 0.59 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 -1.88 -5.12 -0.01 0.53 2.85 -1.26 -3.51 115.26 106.87 1pqs n ASN 809 Ca -0.01 0.62 -0.17 0.00 -0.11 0.00 0.00 54.58 54.92 1pqs n ASN 809 Cb 0.05 -1.86 -0.13 0.00 1.24 0.00 0.00 39.78 39.08 1pqs n ASN 809 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1pqs h ILE 810 N 1.10 1.57 -2.19 -1.44 1.08 -1.96 -3.47 117.51 112.20 1pqs h ILE 810 Ca 0.00 -2.20 -0.06 0.00 -0.39 0.00 0.00 64.86 62.21 1pqs h ILE 810 Cb 0.00 2.99 -0.22 0.00 -3.07 0.00 0.00 36.82 36.52 1pqs h ILE 810 CO 0.00 0.61 0.02 -0.94 -0.69 0.00 0.00 178.15 177.15 1pqs s SER 811 N -6.52 -0.68 -0.45 1.72 1.04 -1.26 -5.05 113.70 102.49 1pqs s SER 811 Ca -0.16 1.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.50 1pqs s SER 811 Cb 0.00 1.30 -0.20 0.00 0.10 0.00 0.00 66.02 67.23 1pqs s SER 811 CO 0.77 -0.22 3.18 -0.81 0.98 0.00 0.00 173.24 177.13 1pqs n PRO 812 N 2.90 2.29 0.00 4.02 -0.05 -1.26 -4.55 135.00 138.35 1pqs n PRO 812 Ca -0.15 -1.26 0.00 0.00 -0.05 0.00 0.00 63.50 62.05 1pqs n PRO 812 Cb 0.56 -2.19 0.00 0.00 -0.05 0.00 0.00 33.50 31.82 1pqs n PRO 812 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1pqs n ILE 813 N 2.90 0.00 0.00 0.52 2.08 -1.26 -4.10 119.36 119.49 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 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.54 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 -1.84 0.00 -1.34 1.39 -2.24 -1.26 -4.80 114.28 104.19 1pqs n THR 814 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 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 -0.06 2.40 -3.86 -0.78 4.01 -1.26 -4.90 118.16 113.71 1pqs n LYS 815 Ca 0.00 -2.13 -0.37 0.00 -0.51 0.00 0.00 58.31 55.30 1pqs n LYS 815 Cb 0.00 -2.98 -0.06 0.00 -0.51 0.00 0.00 35.03 31.47 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 3.71 5.48 0.05 -0.18 -4.36 -1.26 -3.85 121.20 120.80 1pqs s ILE 816 Ca 0.53 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 61.22 1pqs s ILE 816 Cb 0.14 -3.42 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1pqs s ILE 816 CO -0.01 0.61 -0.17 -0.54 0.24 0.00 0.00 174.94 175.07 1pqs s LYS 817 N -0.99 1.08 0.04 0.37 1.02 -0.77 -2.91 119.74 117.58 1pqs s LYS 817 Ca 0.15 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1pqs s LYS 817 Cb -0.12 -1.16 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1pqs s LYS 817 CO 0.04 0.28 -0.18 1.52 -0.92 0.00 0.00 175.35 176.10 1pqs s TYR 818 N -0.93 1.58 0.02 3.18 -0.85 0.26 -0.40 117.35 120.21 1pqs s TYR 818 Ca 0.04 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 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 0.07 -0.16 -1.14 -1.52 0.00 0.00 175.55 172.82 1pqs s GLN 819 N -1.15 1.16 0.03 -3.49 0.74 0.20 -0.28 119.66 116.87 1pqs s GLN 819 Ca 0.05 -0.71 0.06 0.00 0.05 0.00 0.00 55.36 54.81 1pqs s GLN 819 Cb -0.08 -1.17 -0.02 0.00 1.10 0.00 0.00 33.01 32.84 1pqs s GLN 819 CO 0.02 0.30 -0.18 0.16 -0.55 0.00 0.00 175.29 175.04 1pqs s ASP 820 N -0.82 2.14 0.00 6.67 -4.77 -1.00 -0.39 116.67 118.49 1pqs s ASP 820 Ca 0.05 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 1pqs s ASP 820 Cb -0.07 -0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.58 1pqs s ASP 820 CO 0.01 0.13 0.00 -0.62 0.70 0.00 0.00 175.17 175.38 1pqs n GLU 821 N 1.98 -1.56 -3.53 2.11 1.02 -1.11 -2.32 120.64 117.24 1pqs n GLU 821 Ca -0.17 0.39 -0.19 0.00 -0.02 0.00 0.00 57.16 57.17 1pqs n GLU 821 Cb 0.54 -4.66 0.07 0.00 -0.02 0.00 0.00 31.44 27.36 1pqs n GLU 821 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1pqs n ASP 822 N -0.78 -1.95 0.00 1.62 2.03 -1.26 -4.84 116.55 111.37 1pqs n ASP 822 Ca 0.00 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1pqs n ASP 822 Cb 0.39 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.08 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 -1.31 0.00 3.19 0.27 0.00 -0.98 -5.14 105.19 101.22 1pqs n GLY 823 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.49 2.00 -0.07 1.61 2.15 -1.15 -5.01 116.67 115.71 1pqs s ASP 824 Ca 0.00 -0.48 0.03 0.00 0.43 0.00 0.00 52.55 52.53 1pqs s ASP 824 Cb 0.00 -0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1pqs s ASP 824 CO 0.00 0.09 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.55 1pqs s PHE 825 N -0.83 1.86 0.03 -5.34 0.40 -1.26 -2.38 117.98 110.46 1pqs s PHE 825 Ca 0.04 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1pqs s PHE 825 Cb -0.08 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1pqs s PHE 825 CO 0.01 -0.28 -0.05 0.08 0.70 0.00 0.00 175.22 175.68 1pqs s VAL 826 N 0.35 0.34 -0.06 -0.44 1.01 0.61 -4.98 120.40 117.23 1pqs s VAL 826 Ca -0.12 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1pqs s VAL 826 Cb -0.15 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 1pqs s VAL 826 CO 0.05 -0.40 -0.20 0.54 0.00 0.00 0.00 175.10 175.09 1pqs s VAL 827 N -1.31 1.70 0.15 2.92 0.11 -1.26 0.89 120.40 123.60 1pqs s VAL 827 Ca -0.12 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 1pqs s VAL 827 Cb -0.09 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1pqs s VAL 827 CO -0.00 0.48 -0.14 -1.48 -3.33 0.00 0.00 175.10 170.63 1pqs s LEU 828 N 0.10 2.46 0.00 2.54 0.05 -1.15 -4.97 118.68 117.71 1pqs s LEU 828 Ca -0.08 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.21 1pqs s LEU 828 Cb -0.14 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.42 1pqs s LEU 828 CO 0.04 -0.17 0.00 0.61 -0.55 0.00 0.00 176.35 176.28 1pqs n GLY 829 N 0.18 0.00 0.39 -3.48 0.00 -1.26 -4.59 105.19 96.42 1pqs n GLY 829 Ca -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.21 0.96 0.00 1.61 7.64 -1.26 -4.89 113.62 117.47 1pqs n SER 830 Ca 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1pqs n SER 830 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1pqs n SER 830 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1pqs n ASP 831 N -0.10 0.00 -0.16 6.43 5.68 -1.26 -4.51 116.55 122.63 1pqs n ASP 831 Ca 0.03 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.38 1pqs n ASP 831 Cb 0.20 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.54 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1pqs h GLU 832 N 0.00 0.73 -0.98 0.11 4.39 -2.00 -1.62 114.58 115.20 1pqs h GLU 832 Ca 0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.74 1pqs h GLU 832 Cb 0.00 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.41 1pqs h GLU 832 CO 0.00 0.48 0.62 -0.44 -1.16 0.00 0.00 179.01 178.51 1pqs h ASP 833 N 0.75 0.96 -0.57 1.42 3.32 -1.96 -0.88 116.42 119.46 1pqs h ASP 833 Ca 0.29 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1pqs h ASP 833 Cb 0.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1pqs h ASP 833 CO -0.09 0.57 0.11 -0.25 -1.72 0.00 0.00 179.24 177.86 1pqs h TRP 834 N 1.07 0.99 -0.85 4.55 -0.00 -1.68 -1.19 115.95 118.84 1pqs h TRP 834 Ca 0.45 -0.13 0.03 0.00 -0.00 0.00 0.00 58.89 59.24 1pqs h TRP 834 Cb 0.29 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 29.13 1pqs h TRP 834 CO -0.01 0.86 0.55 -0.91 -0.00 0.00 0.00 178.44 178.93 1pqs h ASN 835 N 0.83 0.91 -0.52 2.65 2.35 -1.06 0.19 115.58 120.93 1pqs h ASN 835 Ca 0.18 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1pqs h ASN 835 Cb 0.39 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1pqs h ASN 835 CO 0.01 0.62 0.32 0.58 -1.65 0.00 0.00 177.43 177.31 1pqs h VAL 836 N 1.06 1.08 -0.27 2.81 2.07 -0.88 -1.28 116.25 120.85 1pqs h VAL 836 Ca 0.34 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1pqs h VAL 836 Cb 0.02 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1pqs h VAL 836 CO -0.12 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.75 1pqs h ALA 837 N 1.22 0.34 -0.08 1.67 0.00 0.17 0.20 119.26 122.78 1pqs h ALA 837 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pqs h ALA 837 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pqs h ALA 837 CO -0.07 -0.16 -0.05 0.87 0.00 0.00 0.00 179.25 179.84 1pqs h LYS 838 N 0.34 -0.04 -0.76 0.00 1.57 -0.39 -0.72 116.57 116.56 1pqs h LYS 838 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1pqs h LYS 838 Cb 0.01 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1pqs h LYS 838 CO -0.02 -0.03 0.37 0.93 -0.57 0.00 0.00 179.45 180.13 1pqs h GLU 839 N -0.05 1.09 -0.32 3.15 3.07 -1.07 0.19 114.58 120.65 1pqs h GLU 839 Ca 0.05 -0.16 0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1pqs h GLU 839 Cb 0.12 -0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 27.76 1pqs h GLU 839 CO -0.11 0.85 -0.14 1.98 -1.40 0.00 0.00 179.01 180.19 1pqs h MET 840 N 1.07 -0.09 0.74 2.33 1.85 -0.13 0.79 114.93 121.49 1pqs h MET 840 Ca 0.26 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.32 1pqs h MET 840 Cb 0.11 0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.16 1pqs h MET 840 CO -0.03 -0.06 -0.37 -0.07 -0.40 0.00 0.00 176.91 175.98 1pqs h LEU 841 N -0.09 -0.88 -0.09 3.39 3.38 -0.68 -1.09 115.31 119.25 1pqs h LEU 841 Ca 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pqs h LEU 841 Cb 0.34 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1pqs h LEU 841 CO -0.38 -0.62 0.04 0.00 0.09 0.00 0.00 178.44 177.58 1pqs h ALA 842 N -0.75 0.11 0.01 1.53 0.00 -0.57 0.11 119.26 119.70 1pqs h ALA 842 Ca -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pqs h ALA 842 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pqs h ALA 842 CO 0.16 -0.31 -0.00 0.93 0.00 0.00 0.00 179.25 180.02 1pqs h GLU 843 N -0.01 -0.01 0.53 0.00 5.08 0.54 -3.34 114.58 117.38 1pqs h GLU 843 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1pqs h GLU 843 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pqs h GLU 843 CO -0.00 0.28 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.13 1pqs h ASN 844 N -0.30 -0.60 0.00 1.42 -0.26 -1.22 -3.48 115.58 111.13 1pqs h ASN 844 Ca -0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1pqs h ASN 844 Cb 0.30 0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1pqs h ASN 844 CO 0.00 -0.20 0.00 -0.46 -1.06 0.00 0.00 177.43 175.72 1pqs n ASN 845 N -5.26 0.00 -4.63 5.81 0.23 -0.02 -5.09 115.26 106.30 1pqs n ASN 845 Ca -0.10 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.67 1pqs n ASN 845 Cb 0.30 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.19 1pqs n ASN 845 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1pqs s GLU 846 N 0.00 0.12 0.00 -3.83 2.56 -0.88 -4.87 118.70 111.80 1pqs s GLU 846 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 54.97 55.61 1pqs s GLU 846 Cb 0.00 -1.69 0.00 0.00 2.00 0.00 0.00 34.13 34.44 1pqs s GLU 846 CO 0.00 -2.97 0.00 1.17 -0.56 0.00 0.00 175.26 172.90 1pqs n LYS 847 N -4.36 1.16 -1.68 4.30 4.81 -1.26 -4.11 118.16 117.02 1pqs n LYS 847 Ca 0.05 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.05 1pqs n LYS 847 Cb 0.56 -0.13 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 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 -0.14 2.53 -4.42 5.64 7.35 -1.26 -4.12 117.46 123.04 1pqs n PHE 848 Ca 0.00 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.36 1pqs n PHE 848 Cb 0.00 -2.71 -0.14 0.00 0.35 0.00 0.00 39.48 36.98 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 2.96 2.16 0.03 -2.13 2.96 -0.85 -2.76 118.68 121.04 1pqs s LEU 849 Ca 0.84 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1pqs s LEU 849 Cb -0.53 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1pqs s LEU 849 CO 0.40 0.06 -0.09 0.20 -1.32 0.00 0.00 176.35 175.60 1pqs s ASN 850 N -1.11 1.08 -0.07 3.68 0.01 0.47 -0.79 114.94 118.21 1pqs s ASN 850 Ca 0.03 -0.37 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 1pqs s ASN 850 Cb -0.08 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.54 1pqs s ASN 850 CO 0.01 -0.03 -0.13 0.27 -1.51 0.00 0.00 177.10 175.71 1pqs s ILE 851 N -0.79 1.19 -0.23 0.60 -0.00 0.18 0.59 121.20 122.74 1pqs s ILE 851 Ca -0.02 -0.51 -0.03 0.00 -0.00 0.00 0.00 60.65 60.08 1pqs s ILE 851 Cb -0.07 -1.09 0.00 0.00 -0.00 0.00 0.00 42.46 41.31 1pqs s ILE 851 CO 0.00 0.37 -0.05 -0.60 -0.00 0.00 0.00 174.94 174.67 1pqs s ARG 852 N 0.64 3.24 -0.11 0.37 3.52 0.47 -0.79 118.95 126.28 1pqs s ARG 852 Ca -0.15 -0.72 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1pqs s ARG 852 Cb -0.16 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1pqs s ARG 852 CO 0.04 -0.25 -0.09 -0.48 -0.81 0.00 0.00 175.30 173.70 1pqs s LEU 853 N 1.44 2.96 0.00 -0.88 -0.00 -1.26 -1.85 118.68 119.09 1pqs s LEU 853 Ca 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 54.13 53.99 1pqs s LEU 853 Cb -0.15 -1.66 0.00 0.00 -0.00 0.00 0.00 46.19 44.38 1pqs s LEU 853 CO -0.04 0.24 0.00 0.00 -0.00 0.00 0.00 176.35 176.55