#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq h PRO -3 N 0.00 0.00 -4.03 1.61 0.13 -2.13 -3.46 132.00 124.13 2kwq h PRO -3 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2kwq h PRO -3 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2kwq h PRO -3 CO 0.00 0.25 -0.66 -1.64 -0.23 0.00 0.00 178.00 175.72 2kwq s MET -2 N -3.27 0.46 0.61 0.86 -1.94 -1.26 -5.18 119.30 109.58 2kwq s MET -2 Ca 0.04 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2kwq s MET -2 Cb 0.08 0.17 0.07 0.00 2.01 0.00 0.00 34.83 37.15 2kwq s MET -2 CO 0.68 -0.09 0.85 0.20 -0.01 0.00 0.00 175.02 176.65 2kwq s GLY -1 N -2.06 1.80 0.18 -0.03 0.00 -1.26 -5.09 107.32 100.86 2kwq s GLY -1 Ca -0.06 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 2kwq s GLY -1 CO -0.05 -1.14 1.13 1.06 0.00 0.00 0.00 173.10 174.10 2kwq s MET 755 N -4.88 4.56 -0.29 2.90 -1.94 -1.26 -5.04 119.30 113.35 2kwq s MET 755 Ca 0.61 1.77 -0.14 0.00 -1.71 0.00 0.00 55.69 56.21 2kwq s MET 755 Cb -0.08 -3.26 0.13 0.00 2.01 0.00 0.00 34.83 33.62 2kwq s MET 755 CO 0.40 0.02 0.82 -1.14 -0.01 0.00 0.00 175.02 175.12 2kwq s GLN 756 N -0.34 0.50 -0.33 2.03 0.74 -1.26 -5.14 119.66 115.86 2kwq s GLN 756 Ca 0.50 1.02 -0.07 0.00 0.05 0.00 0.00 55.36 56.86 2kwq s GLN 756 Cb -0.30 0.36 0.19 0.00 1.10 0.00 0.00 33.01 34.36 2kwq s GLN 756 CO 0.36 -0.13 1.01 -1.54 -0.55 0.00 0.00 175.29 174.43 2kwq s SER 757 N 2.03 -0.45 0.03 6.67 1.04 -1.26 -5.18 113.70 116.59 2kwq s SER 757 Ca -0.07 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.18 2kwq s SER 757 Cb -0.06 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2kwq s SER 757 CO -0.18 -0.05 -0.16 -0.63 0.98 0.00 0.00 173.24 173.21 2kwq s ILE 758 N 1.92 2.97 -0.19 -1.02 -1.09 -1.26 -5.04 121.20 117.48 2kwq s ILE 758 Ca 0.15 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 2kwq s ILE 758 Cb 0.03 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 2kwq s ILE 758 CO -0.14 0.35 0.92 -2.11 -1.23 0.00 0.00 174.94 172.72 2kwq n ARG 759 N 1.54 1.02 -4.17 2.79 1.85 -1.26 -4.77 116.66 113.66 2kwq n ARG 759 Ca -0.16 -0.04 -0.15 0.00 -1.00 0.00 0.00 57.85 56.50 2kwq n ARG 759 Cb 0.52 -1.11 -0.11 0.00 -1.05 0.00 0.00 32.46 30.71 2kwq n ARG 759 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2kwq s GLU 760 N -0.23 0.84 -0.02 2.89 -1.05 -1.25 -1.12 118.70 118.75 2kwq s GLU 760 Ca 0.01 -1.11 -0.03 0.00 -0.15 0.00 0.00 54.97 53.69 2kwq s GLU 760 Cb 0.01 -0.58 0.00 0.00 -0.44 0.00 0.00 34.13 33.12 2kwq s GLU 760 CO 0.00 0.10 0.07 1.14 0.95 0.00 0.00 175.26 177.52 2kwq s GLN 761 N -2.57 0.14 0.37 -4.83 -2.07 -1.09 -4.98 119.66 104.62 2kwq s GLN 761 Ca 0.04 -0.02 -0.25 0.00 -1.82 0.00 0.00 55.36 53.31 2kwq s GLN 761 Cb -0.04 0.06 -0.09 0.00 -1.09 0.00 0.00 33.01 31.84 2kwq s GLN 761 CO 0.01 -0.02 1.01 -1.54 -1.32 0.00 0.00 175.29 173.42 2kwq s SER 762 N -0.25 7.01 0.22 12.60 1.04 -1.26 -1.54 113.70 131.52 2kwq s SER 762 Ca -0.03 1.96 -0.23 0.00 0.48 0.00 0.00 55.95 58.13 2kwq s SER 762 Cb -0.02 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.56 2kwq s SER 762 CO 0.00 -0.31 0.76 0.00 0.98 0.00 0.00 173.24 174.67 2kwq s ARG 764 N -3.71 4.65 0.14 0.00 3.52 -1.26 -0.77 118.95 121.51 2kwq s ARG 764 Ca 0.09 1.69 -0.01 0.00 -0.13 0.00 0.00 55.73 57.38 2kwq s ARG 764 Cb -0.04 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2kwq s ARG 764 CO 0.02 0.26 0.06 0.14 -0.81 0.00 0.00 175.30 174.96 2kwq s VAL 765 N -1.22 0.15 -0.02 7.11 -7.23 0.74 -4.83 120.40 115.10 2kwq s VAL 765 Ca 0.45 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2kwq s VAL 765 Cb -0.29 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2kwq s VAL 765 CO 0.37 -0.44 -0.07 0.54 -0.31 0.00 0.00 175.10 175.19 2kwq s VAL 766 N -4.02 0.59 -0.28 1.32 0.11 0.35 -1.09 120.40 117.37 2kwq s VAL 766 Ca 0.25 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2kwq s VAL 766 Cb 0.07 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2kwq s VAL 766 CO 0.02 0.19 0.10 -0.89 -3.33 0.00 0.00 175.10 171.19 2kwq s THR 767 N 0.13 4.30 -0.08 5.04 2.01 -0.13 -1.16 115.64 125.74 2kwq s THR 767 Ca -0.01 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2kwq s THR 767 Cb -0.06 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2kwq s THR 767 CO -0.00 0.17 1.26 0.00 -0.69 0.00 0.00 174.62 175.36 2kwq h LYS 769 N 7.81 0.00 0.20 0.00 1.79 -1.25 -0.85 116.57 124.28 2kwq h LYS 769 Ca -0.32 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.81 2kwq h LYS 769 Cb 1.15 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.82 2kwq h LYS 769 CO 0.91 0.02 -1.57 1.15 -1.08 0.00 0.00 179.45 178.88 2kwq h THR 770 N 0.00 1.16 0.00 -0.16 2.02 -1.93 -3.37 112.91 110.63 2kwq h THR 770 Ca -0.00 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2kwq h THR 770 Cb 1.01 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 2kwq h THR 770 CO 0.00 0.84 -1.50 0.00 0.37 0.00 0.00 175.52 175.23 2kwq n LYS 772 N -1.89 -0.61 -2.65 0.00 4.01 -0.33 -5.05 118.16 111.65 2kwq n LYS 772 Ca -0.01 0.80 -0.26 0.00 -0.51 0.00 0.00 58.31 58.33 2kwq n LYS 772 Cb 0.42 -4.67 0.01 0.00 -0.51 0.00 0.00 35.03 30.27 2kwq n LYS 772 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2kwq s TYR 773 N -2.32 3.42 -0.12 2.13 -0.85 -1.22 -4.93 117.35 113.44 2kwq s TYR 773 Ca 0.00 0.66 0.01 0.00 -0.52 0.00 0.00 57.07 57.21 2kwq s TYR 773 Cb 0.00 -2.42 0.02 0.00 0.38 0.00 0.00 41.96 39.94 2kwq s TYR 773 CO 0.00 -0.44 -0.13 0.99 -1.52 0.00 0.00 175.55 174.46 2kwq s THR 774 N -2.77 1.38 0.37 -3.49 2.01 -1.26 -1.72 115.64 110.16 2kwq s THR 774 Ca 0.49 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 62.01 2kwq s THR 774 Cb -0.10 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2kwq s THR 774 CO 0.44 0.42 0.21 -1.00 -0.69 0.00 0.00 174.62 174.00 2kwq s HIS 775 N 1.37 1.76 0.32 4.92 3.76 -0.31 -4.96 115.29 122.14 2kwq s HIS 775 Ca 0.01 -1.50 0.07 0.00 -0.15 0.00 0.00 55.06 53.49 2kwq s HIS 775 Cb -0.13 -0.92 0.54 0.00 1.11 0.00 0.00 32.58 33.18 2kwq s HIS 775 CO -0.07 -0.61 1.77 0.74 -0.85 0.00 0.00 174.74 175.72 2kwq h PHE 776 N 1.97 0.32 -2.68 1.40 0.04 -1.88 0.10 116.94 116.21 2kwq h PHE 776 Ca -0.30 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.36 2kwq h PHE 776 Cb 1.25 -0.08 -0.15 0.00 2.20 0.00 0.00 35.95 39.17 2kwq h PHE 776 CO 1.63 0.56 0.15 -1.59 -0.60 0.00 0.00 178.31 178.46 2kwq s LYS 777 N -4.38 1.15 0.49 1.51 -2.85 -1.26 -4.31 119.74 110.09 2kwq s LYS 777 Ca -0.05 -0.22 -0.20 0.00 -1.00 0.00 0.00 55.97 54.50 2kwq s LYS 777 Cb 0.14 0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 36.36 2kwq s LYS 777 CO 0.76 -0.45 1.02 -1.25 0.10 0.00 0.00 175.35 175.54 2kwq s PRO 778 N -2.73 3.84 0.74 1.78 0.04 -1.26 -4.96 135.00 132.46 2kwq s PRO 778 Ca -0.04 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2kwq s PRO 778 Cb -0.01 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2kwq s PRO 778 CO -0.04 -0.39 1.08 0.15 0.04 0.00 0.00 177.00 177.85 2kwq s LYS 779 N -3.31 2.49 0.32 4.56 1.02 -1.26 -4.84 119.74 118.71 2kwq s LYS 779 Ca 0.66 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.79 2kwq s LYS 779 Cb -0.15 -1.93 0.56 0.00 -0.52 0.00 0.00 37.83 35.79 2kwq s LYS 779 CO 0.20 -1.46 1.95 0.93 -0.92 0.00 0.00 175.35 176.05 2kwq h GLU 780 N -0.92 0.95 -0.52 1.68 3.07 -1.99 0.03 114.58 116.89 2kwq h GLU 780 Ca -0.44 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.30 2kwq h GLU 780 Cb 1.23 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.90 2kwq h GLU 780 CO 0.53 0.63 0.07 1.79 -1.40 0.00 0.00 179.01 180.63 2kwq h THR 781 N 0.98 1.25 -0.55 1.13 1.35 -1.98 -0.20 112.91 114.89 2kwq h THR 781 Ca 0.33 -0.97 -0.10 0.00 -0.55 0.00 0.00 66.41 65.12 2kwq h THR 781 Cb 0.07 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 2kwq h THR 781 CO -0.10 0.35 -0.05 0.00 -0.25 0.00 0.00 175.52 175.47 2kwq h VAL 783 N 0.90 1.32 -0.22 0.00 2.07 -1.01 -0.79 116.25 118.52 2kwq h VAL 783 Ca 0.15 -1.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 2kwq h VAL 783 Cb 0.59 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2kwq h VAL 783 CO 0.04 0.44 -0.42 -1.28 0.02 0.00 0.00 177.57 176.36 2kwq h SER 784 N 0.27 0.75 1.14 0.57 0.87 -0.87 -2.89 113.55 113.38 2kwq h SER 784 Ca 0.04 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2kwq h SER 784 Cb 0.79 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2kwq h SER 784 CO 0.06 1.15 0.00 -0.62 -0.53 0.00 0.00 176.83 176.89 2kwq n GLU 785 N -4.20 0.22 -2.90 2.24 1.02 0.10 -4.95 120.64 112.17 2kwq n GLU 785 Ca -0.06 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 2kwq n GLU 785 Cb 0.55 -1.81 0.04 0.00 -0.02 0.00 0.00 31.44 30.20 2kwq n GLU 785 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kwq n ASN 786 N -2.21 -3.33 -4.66 1.62 2.85 -0.65 -5.02 115.26 103.87 2kwq n ASN 786 Ca 0.04 -0.27 -0.35 0.00 -0.11 0.00 0.00 54.58 53.89 2kwq n ASN 786 Cb 0.34 -2.67 0.10 0.00 1.24 0.00 0.00 39.78 38.79 2kwq n ASN 786 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2kwq n HIS 787 N -3.25 1.03 -2.75 1.20 8.25 -0.40 -5.01 115.22 114.29 2kwq n HIS 787 Ca -0.05 0.40 -0.40 0.00 -0.26 0.00 0.00 57.72 57.41 2kwq n HIS 787 Cb 0.55 -2.11 -0.05 0.00 1.12 0.00 0.00 29.99 29.50 2kwq n HIS 787 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kwq s ASP 788 N -1.83 7.58 0.03 0.41 1.01 -1.26 -4.92 116.67 117.70 2kwq s ASP 788 Ca 0.74 1.88 0.01 0.00 0.71 0.00 0.00 52.55 55.89 2kwq s ASP 788 Cb -0.32 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 40.99 2kwq s ASP 788 CO 0.50 0.08 -0.05 0.72 0.21 0.00 0.00 175.17 176.63 2kwq s PHE 789 N -0.76 0.45 -0.21 4.23 -0.71 -1.26 -0.74 117.98 118.98 2kwq s PHE 789 Ca 0.43 -0.54 -0.03 0.00 -1.04 0.00 0.00 56.93 55.75 2kwq s PHE 789 Cb -0.25 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.26 2kwq s PHE 789 CO 0.31 -0.15 -0.05 -1.01 -1.34 0.00 0.00 175.22 172.98 2kwq s HIS 790 N -1.53 2.95 0.26 3.49 3.76 -0.16 -4.96 115.29 119.10 2kwq s HIS 790 Ca -0.12 -0.91 -0.15 0.00 -0.15 0.00 0.00 55.06 53.73 2kwq s HIS 790 Cb -0.09 -2.08 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 2kwq s HIS 790 CO -0.01 -0.51 0.67 -1.58 -0.85 0.00 0.00 174.74 172.46 2kwq s TRP 791 N 1.36 3.48 0.33 1.40 0.52 -1.26 -0.96 118.94 123.81 2kwq s TRP 791 Ca 0.04 1.16 -0.18 0.00 0.02 0.00 0.00 56.10 57.15 2kwq s TRP 791 Cb -0.14 -2.48 0.06 0.00 -1.15 0.00 0.00 33.47 29.76 2kwq s TRP 791 CO -0.03 0.23 0.86 -3.38 0.02 0.00 0.00 176.95 174.65 2kwq s HIS 792 N -1.77 0.10 0.11 -1.98 -3.43 -0.25 -5.00 115.29 103.08 2kwq s HIS 792 Ca 0.48 -0.71 -0.10 0.00 -0.80 0.00 0.00 55.06 53.93 2kwq s HIS 792 Cb -0.12 0.80 -0.06 0.00 -1.43 0.00 0.00 32.58 31.77 2kwq s HIS 792 CO 0.19 -1.39 0.44 -0.80 -2.00 0.00 0.00 174.74 171.18 2kwq s ASN 793 N -3.16 6.67 0.00 7.38 -0.87 -1.26 -0.18 114.94 123.51 2kwq s ASN 793 Ca 0.17 0.85 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 2kwq s ASN 793 Cb -0.04 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 38.99 2kwq s ASN 793 CO 0.10 0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.36 2kwq n GLY 794 N 0.73 4.29 3.16 0.66 0.00 0.05 -4.87 105.19 109.21 2kwq n GLY 794 Ca -0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2kwq n GLY 794 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwq s VAL 795 N -0.98 -0.01 -0.03 1.61 0.11 -1.26 -1.72 120.40 118.12 2kwq s VAL 795 Ca 0.00 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2kwq s VAL 795 Cb 0.00 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2kwq s VAL 795 CO 0.00 0.02 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.05 2kwq s LYS 796 N 0.53 2.42 0.14 1.54 -2.85 -0.59 -4.41 119.74 116.52 2kwq s LYS 796 Ca -0.03 -0.76 0.07 0.00 -1.00 0.00 0.00 55.97 54.25 2kwq s LYS 796 Cb -0.05 -2.34 -0.04 0.00 -2.06 0.00 0.00 37.83 33.35 2kwq s LYS 796 CO -0.03 0.61 -0.16 -0.98 0.10 0.00 0.00 175.35 174.89 2kwq s ARG 797 N -0.89 1.14 0.07 1.78 3.03 -0.05 -2.69 118.95 121.35 2kwq s ARG 797 Ca 0.12 -1.33 0.07 0.00 2.03 0.00 0.00 55.73 56.63 2kwq s ARG 797 Cb -0.11 -1.09 -0.04 0.00 -1.03 0.00 0.00 34.95 32.69 2kwq s ARG 797 CO 0.02 0.21 -0.17 -0.06 -1.13 0.00 0.00 175.30 174.17 2kwq s PHE 798 N -2.16 2.58 0.01 5.89 0.08 -1.24 -1.10 117.98 122.05 2kwq s PHE 798 Ca 0.12 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 2kwq s PHE 798 Cb -0.05 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2kwq s PHE 798 CO 0.05 0.31 0.02 -0.06 -0.10 0.00 0.00 175.22 175.44 2kwq s PHE 799 N -1.01 0.18 -0.01 0.36 0.40 -0.24 -0.50 117.98 117.15 2kwq s PHE 799 Ca 0.16 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 2kwq s PHE 799 Cb -0.11 -0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.28 2kwq s PHE 799 CO 0.07 -0.21 -0.11 0.21 0.70 0.00 0.00 175.22 175.88 2kwq s LYS 800 N -1.38 0.93 0.12 0.44 2.20 -0.33 -1.30 119.74 120.41 2kwq s LYS 800 Ca -0.15 -0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 2kwq s LYS 800 Cb -0.09 -0.88 -0.06 0.00 -1.51 0.00 0.00 37.83 35.29 2kwq s LYS 800 CO -0.00 0.21 0.37 0.00 -0.36 0.00 0.00 175.35 175.56 2kwq h PRO 802 N 3.06 0.00 0.00 0.00 0.13 -1.87 -0.99 132.00 132.33 2kwq h PRO 802 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kwq h PRO 802 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kwq h PRO 802 CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 2kwq n GLY 804 N 1.03 0.28 3.77 0.00 0.00 -0.38 -5.11 105.19 104.78 2kwq n GLY 804 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2kwq n GLY 804 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kwq s ASN 805 N -2.05 5.52 0.10 1.61 2.47 -1.25 -4.81 114.94 116.52 2kwq s ASN 805 Ca 0.00 2.18 0.02 0.00 0.42 0.00 0.00 52.86 55.48 2kwq s ASN 805 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 2kwq s ASN 805 CO 0.00 -1.36 -0.07 -0.13 -3.72 0.00 0.00 177.10 171.82 2kwq s ARG 806 N -3.44 0.84 0.37 0.43 0.52 -1.26 -0.62 118.95 115.78 2kwq s ARG 806 Ca 0.72 -1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.52 2kwq s ARG 806 Cb -0.24 -0.24 0.03 0.00 0.52 0.00 0.00 34.95 35.02 2kwq s ARG 806 CO 0.31 -0.01 0.66 -0.08 0.02 0.00 0.00 175.30 176.19 2kwq s THR 807 N -3.50 0.00 0.01 0.02 -1.32 -0.42 -5.00 115.64 105.43 2kwq s THR 807 Ca 0.11 -1.26 -0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2kwq s THR 807 Cb 0.04 -2.77 -0.01 0.00 -1.51 0.00 0.00 72.50 68.25 2kwq s THR 807 CO -0.04 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.72 2kwq s ILE 808 N -2.64 0.08 0.10 5.08 1.01 -1.26 -1.08 121.20 122.49 2kwq s ILE 808 Ca 0.22 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2kwq s ILE 808 Cb -0.03 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.25 2kwq s ILE 808 CO 0.15 -0.35 0.21 -0.55 0.00 0.00 0.00 174.94 174.40 2kwq s SER 809 N -1.02 0.10 0.00 3.58 0.15 -0.25 -4.90 113.70 111.36 2kwq s SER 809 Ca -0.11 -0.68 0.24 0.00 0.70 0.00 0.00 55.95 56.11 2kwq s SER 809 Cb -0.07 0.36 0.37 0.00 -1.71 0.00 0.00 66.02 64.97 2kwq s SER 809 CO -0.01 -0.76 1.32 0.18 1.20 0.00 0.00 173.24 175.18 2kwq n LEU 810 N -0.09 0.88 -4.84 3.45 7.99 -1.26 -0.87 117.00 122.25 2kwq n LEU 810 Ca -0.14 -0.24 -0.25 0.00 -0.01 0.00 0.00 56.01 55.37 2kwq n LEU 810 Cb 0.63 -0.14 -0.03 0.00 -0.11 0.00 0.00 43.42 43.76 2kwq n LEU 810 CO 0.23 0.19 -0.03 -1.81 -1.51 0.00 0.00 177.39 174.45 2kwq s ASP 811 N -2.83 4.63 0.01 -1.43 1.01 -1.26 -4.82 116.67 111.99 2kwq s ASP 811 Ca 0.14 -1.12 0.04 0.00 0.71 0.00 0.00 52.55 52.32 2kwq s ASP 811 Cb 0.18 -0.03 0.17 0.00 1.01 0.00 0.00 42.92 44.25 2kwq s ASP 811 CO 0.68 -0.84 1.12 -2.11 0.21 0.00 0.00 175.17 174.22 2kwq n ARG 812 N -1.55 0.01 -3.64 8.23 1.85 -1.26 -4.66 116.66 115.64 2kwq n ARG 812 Ca -0.01 0.45 -0.15 0.00 -1.00 0.00 0.00 57.85 57.14 2kwq n ARG 812 Cb 0.64 -1.52 -0.08 0.00 -1.05 0.00 0.00 32.46 30.46 2kwq n ARG 812 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kwq s LEU 813 N -3.06 -0.26 0.61 2.89 2.96 -1.26 -4.98 118.68 115.58 2kwq s LEU 813 Ca 0.01 0.93 -0.17 0.00 -0.22 0.00 0.00 54.13 54.69 2kwq s LEU 813 Cb 0.02 2.10 -0.03 0.00 0.50 0.00 0.00 46.19 48.79 2kwq s LEU 813 CO 0.06 -0.35 1.12 -2.16 -1.32 0.00 0.00 176.35 173.70 2kwq s PRO 814 N -0.31 3.04 0.00 0.98 0.04 -1.26 -4.89 135.00 132.59 2kwq s PRO 814 Ca -0.05 1.51 0.26 0.00 0.04 0.00 0.00 61.00 62.76 2kwq s PRO 814 Cb -0.03 -1.97 0.60 0.00 0.04 0.00 0.00 34.50 33.14 2kwq s PRO 814 CO 0.04 -1.08 1.48 0.36 0.04 0.00 0.00 177.00 177.83 2kwq n LYS 815 N -1.90 1.32 -4.32 4.56 -0.00 -1.26 -4.97 118.16 111.59 2kwq n LYS 815 Ca 0.11 -0.90 -0.26 0.00 -0.00 0.00 0.00 58.31 57.26 2kwq n LYS 815 Cb 0.51 -1.48 -0.09 0.00 -0.00 0.00 0.00 35.03 33.97 2kwq n LYS 815 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kwq s LYS 816 N -2.30 2.00 0.73 -1.58 0.00 -1.26 -5.15 119.74 112.18 2kwq s LYS 816 Ca 0.27 -1.35 -0.12 0.00 0.00 0.00 0.00 55.97 54.77 2kwq s LYS 816 Cb 0.20 -2.10 0.03 0.00 0.00 0.00 0.00 37.83 35.96 2kwq s LYS 816 CO 0.45 0.41 1.11 -1.01 0.00 0.00 0.00 175.35 176.32 2kwq s HIS 817 N -1.84 3.23 0.26 1.78 3.76 -1.26 -4.93 115.29 116.27 2kwq s HIS 817 Ca 0.26 1.00 -0.31 0.00 -0.15 0.00 0.00 55.06 55.86 2kwq s HIS 817 Cb -0.08 -3.15 -0.11 0.00 1.11 0.00 0.00 32.58 30.34 2kwq s HIS 817 CO 0.15 -1.33 1.61 0.00 -0.85 0.00 0.00 174.74 174.33 2kwq h SER 819 N 5.54 0.00 0.00 0.00 0.02 -1.95 -2.52 113.55 114.64 2kwq h SER 819 Ca -0.45 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.27 2kwq h SER 819 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2kwq h SER 819 CO 0.84 0.00 -1.86 0.41 -1.14 0.00 0.00 176.83 175.08 2kwq n THR 820 N -2.52 0.86 0.00 -2.27 -1.04 -1.26 -4.84 114.28 103.22 2kwq n THR 820 Ca 0.03 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2kwq n THR 820 Cb 0.31 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 2kwq n THR 820 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kwq n GLY 822 N 0.08 0.75 3.62 0.00 0.00 -0.95 -4.99 105.19 103.70 2kwq n GLY 822 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kwq n GLY 822 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kwq s LEU 823 N 0.00 1.57 -0.37 0.99 1.43 -1.26 -4.42 118.68 116.62 2kwq s LEU 823 Ca 0.00 1.45 0.12 0.00 -1.03 0.00 0.00 54.13 54.67 2kwq s LEU 823 Cb 0.00 -3.60 0.44 0.00 0.03 0.00 0.00 46.19 43.06 2kwq s LEU 823 CO 0.00 -3.40 1.03 0.33 0.23 0.00 0.00 176.35 174.54 2kwq n PHE 824 N -4.38 2.20 -1.13 0.29 7.35 -1.26 -1.09 117.46 119.44 2kwq n PHE 824 Ca 0.05 -2.90 0.03 0.00 -0.76 0.00 0.00 57.45 53.87 2kwq n PHE 824 Cb 0.55 -0.24 0.25 0.00 0.35 0.00 0.00 39.48 40.39 2kwq n PHE 824 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2kwq n LYS 825 N -0.28 2.74 -1.58 -4.13 5.02 -1.26 -5.06 118.16 113.61 2kwq n LYS 825 Ca 0.23 -2.98 -0.53 0.00 -2.02 0.00 0.00 58.31 53.01 2kwq n LYS 825 Cb 0.75 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 2kwq n LYS 825 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2kwq n TRP 826 N -0.64 1.39 -4.23 2.13 7.02 -1.26 -4.69 117.44 117.16 2kwq n TRP 826 Ca 0.28 0.70 -0.34 0.00 -1.02 0.00 0.00 57.50 57.12 2kwq n TRP 826 Cb 1.02 -2.30 -0.10 0.00 -2.42 0.00 0.00 31.31 27.51 2kwq n TRP 826 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kwq s GLU 827 N 0.52 3.65 0.08 -0.99 2.12 0.12 -4.93 118.70 119.27 2kwq s GLU 827 Ca 0.86 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 55.46 2kwq s GLU 827 Cb -1.01 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 30.28 2kwq s GLU 827 CO 0.49 0.36 1.70 0.50 -0.54 0.00 0.00 175.26 177.77 2kwq s ARG 828 N 0.07 4.18 0.45 4.30 6.06 -1.26 -1.19 118.95 131.57 2kwq s ARG 828 Ca 0.03 2.40 0.03 0.00 -2.50 0.00 0.00 55.73 55.68 2kwq s ARG 828 Cb -0.13 -3.59 -0.02 0.00 0.06 0.00 0.00 34.95 31.27 2kwq s ARG 828 CO 0.02 -0.76 0.06 0.14 -2.50 0.00 0.00 175.30 172.26 2kwq s VAL 829 N 2.64 0.95 0.26 7.11 -7.23 0.34 -4.93 120.40 119.55 2kwq s VAL 829 Ca 0.76 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2kwq s VAL 829 Cb -0.41 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2kwq s VAL 829 CO 0.33 0.00 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.10 2kwq s GLY 830 N -3.73 1.78 -0.28 2.32 0.00 -1.26 -3.60 107.32 102.55 2kwq s GLY 830 Ca 0.17 -1.82 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 2kwq s GLY 830 CO 0.09 -1.90 0.87 -0.29 0.00 0.00 0.00 173.10 171.87 2kwq s MET 831 N -3.46 0.65 -0.14 2.90 -2.45 -0.27 -4.96 119.30 111.56 2kwq s MET 831 Ca 0.28 0.83 -0.31 0.00 -1.25 0.00 0.00 55.69 55.24 2kwq s MET 831 Cb -0.04 0.29 0.13 0.00 1.25 0.00 0.00 34.83 36.45 2kwq s MET 831 CO 0.13 -0.09 1.06 -0.48 1.05 0.00 0.00 175.02 176.69 2kwq s LEU 832 N 0.52 -0.27 0.00 4.11 -0.00 -1.26 -3.97 118.68 117.80 2kwq s LEU 832 Ca -0.00 0.15 0.24 0.00 -0.00 0.00 0.00 54.13 54.51 2kwq s LEU 832 Cb -0.05 1.71 0.21 0.00 -0.00 0.00 0.00 46.19 48.05 2kwq s LEU 832 CO -0.05 -0.36 1.22 2.29 -0.00 0.00 0.00 176.35 179.45 2kwq n LYS 833 N 0.23 1.06 -3.80 1.48 2.85 -1.26 -4.97 118.16 113.75 2kwq n LYS 833 Ca -0.06 -0.82 -0.30 0.00 -1.05 0.00 0.00 58.31 56.08 2kwq n LYS 833 Cb 0.59 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2kwq s GLU 834 N -2.50 3.51 0.72 -1.58 0.41 -1.26 -5.12 118.70 112.88 2kwq s GLU 834 Ca 0.20 -0.32 -0.11 0.00 -0.41 0.00 0.00 54.97 54.33 2kwq s GLU 834 Cb 0.18 -2.94 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 2kwq s GLU 834 CO 0.57 0.52 1.08 -1.59 -0.49 0.00 0.00 175.26 175.35 2kwq s LYS 835 N -2.74 2.72 0.02 1.61 -2.85 -1.26 -5.11 119.74 112.14 2kwq s LYS 835 Ca 0.38 0.69 -0.27 0.00 -1.00 0.00 0.00 55.97 55.76 2kwq s LYS 835 Cb -0.12 -1.99 0.09 0.00 -2.06 0.00 0.00 37.83 33.75 2kwq s LYS 835 CO 0.27 -1.18 0.77 -0.08 0.10 0.00 0.00 175.35 175.23 2kwq s THR 836 N -3.18 0.00 0.27 3.79 -1.32 -1.26 -5.20 115.64 108.74 2kwq s THR 836 Ca 0.59 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.12 2kwq s THR 836 Cb -0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 2kwq s THR 836 CO 0.54 0.00 0.37 -0.83 -2.21 0.00 0.00 174.62 172.48 2kwq s GLY 837 N -2.20 1.36 -0.53 6.08 0.00 -1.26 -5.06 107.32 105.72 2kwq s GLY 837 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.11 2kwq s GLY 837 CO -0.06 -1.33 1.51 2.56 0.00 0.00 0.00 173.10 175.79 2kwq s PRO 838 N -4.02 3.25 0.38 2.90 0.04 -1.26 -4.90 135.00 131.39 2kwq s PRO 838 Ca 0.37 0.63 0.28 0.00 0.04 0.00 0.00 61.00 62.32 2kwq s PRO 838 Cb -0.09 -4.16 1.17 0.00 0.04 0.00 0.00 34.50 31.47 2kwq s PRO 838 CO 0.29 -1.99 1.83 1.57 0.04 0.00 0.00 177.00 178.73 2kwq h LYS 839 N 11.73 0.00 0.00 4.56 -0.00 -2.08 -3.12 116.57 127.66 2kwq h LYS 839 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2kwq h LYS 839 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 2kwq h LYS 839 CO 1.16 0.00 -0.10 1.37 -0.00 0.00 0.00 179.45 181.88 2kwq h LEU 840 N 0.00 0.00 0.00 7.07 -0.00 -2.07 -3.50 115.31 116.81 2kwq h LEU 840 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kwq h LEU 840 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kwq h LEU 840 CO 0.00 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.06 2kwq n GLY 841 N 1.28 0.70 0.00 0.17 0.00 -1.18 -5.34 105.19 100.82 2kwq n GLY 841 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93