#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq n PRO -3 N 0.00 1.56 -1.90 1.61 -0.02 -1.26 -5.04 135.00 129.95 2kwq n PRO -3 Ca 0.00 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 2kwq n PRO -3 Cb 0.00 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.02 2kwq n PRO -3 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2kwq s MET -2 N -2.82 3.18 0.00 -0.52 -1.94 -1.26 -4.37 119.30 111.57 2kwq s MET -2 Ca 0.72 0.57 0.00 0.00 -1.71 0.00 0.00 55.69 55.26 2kwq s MET -2 Cb -0.43 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.36 2kwq s MET -2 CO 0.49 -0.82 0.00 0.41 -0.01 0.00 0.00 175.02 175.09 2kwq n GLY -1 N -2.88 0.62 3.70 -0.03 0.00 -1.26 -5.07 105.19 100.27 2kwq n GLY -1 Ca 0.06 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2kwq n GLY -1 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kwq n MET 755 N -2.70 1.10 0.13 1.61 3.85 -1.26 -4.97 117.12 114.88 2kwq n MET 755 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 57.70 57.13 2kwq n MET 755 Cb 0.00 -2.44 0.10 0.00 -1.05 0.00 0.00 33.22 29.83 2kwq n MET 755 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2kwq h GLN 756 N 0.59 0.00 0.00 3.17 4.20 -1.98 -3.48 115.11 117.61 2kwq h GLN 756 Ca -0.50 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.37 2kwq h GLN 756 Cb 1.34 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 2kwq h GLN 756 CO 0.53 0.61 0.59 0.45 -0.67 0.00 0.00 178.83 180.34 2kwq n SER 757 N -3.43 -1.72 -4.68 1.46 2.88 -1.26 -5.19 113.62 101.68 2kwq n SER 757 Ca 0.00 -1.90 -0.29 0.00 -1.33 0.00 0.00 58.87 55.36 2kwq n SER 757 Cb 0.71 2.80 -0.08 0.00 -0.75 0.00 0.00 64.21 66.89 2kwq n SER 757 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kwq s ILE 758 N -2.06 3.89 -0.94 2.46 -1.09 -1.26 -5.03 121.20 117.17 2kwq s ILE 758 Ca 0.23 -1.15 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2kwq s ILE 758 Cb -0.03 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 2kwq s ILE 758 CO 0.05 0.03 0.27 -2.11 -1.23 0.00 0.00 174.94 171.96 2kwq n ARG 759 N 0.31 0.51 -4.22 2.79 1.85 -1.26 -4.67 116.66 111.97 2kwq n ARG 759 Ca -0.11 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.56 2kwq n ARG 759 Cb 0.53 -1.25 -0.11 0.00 -1.05 0.00 0.00 32.46 30.57 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 -0.92 0.95 0.01 2.89 -1.05 -1.26 -0.92 118.70 118.41 2kwq s GLU 760 Ca 0.00 -1.13 -0.02 0.00 -0.15 0.00 0.00 54.97 53.66 2kwq s GLU 760 Cb 0.00 -0.89 -0.01 0.00 -0.44 0.00 0.00 34.13 32.78 2kwq s GLU 760 CO 0.00 0.18 0.03 1.14 0.95 0.00 0.00 175.26 177.56 2kwq s GLN 761 N -2.31 0.34 0.59 -4.83 -2.07 -1.26 -5.01 119.66 105.11 2kwq s GLN 761 Ca 0.05 -0.48 -0.10 0.00 -1.82 0.00 0.00 55.36 53.01 2kwq s GLN 761 Cb -0.07 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 2kwq s GLN 761 CO 0.03 -0.07 0.98 -1.54 -1.32 0.00 0.00 175.29 173.38 2kwq s SER 762 N -1.29 6.25 0.35 12.60 1.04 -1.26 -2.40 113.70 128.99 2kwq s SER 762 Ca -0.14 1.34 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 2kwq s SER 762 Cb -0.08 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.66 2kwq s SER 762 CO -0.00 -0.81 0.82 0.00 0.98 0.00 0.00 173.24 174.23 2kwq s ARG 764 N -2.43 3.97 0.23 0.00 3.52 -1.26 -1.50 118.95 121.48 2kwq s ARG 764 Ca 0.16 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 2kwq s ARG 764 Cb -0.05 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 2kwq s ARG 764 CO 0.10 0.56 0.13 0.14 -0.81 0.00 0.00 175.30 175.43 2kwq s VAL 765 N -1.31 0.20 -0.01 7.11 -7.23 0.97 -4.78 120.40 115.34 2kwq s VAL 765 Ca 0.33 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2kwq s VAL 765 Cb -0.16 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2kwq s VAL 765 CO 0.18 0.00 0.05 0.54 -0.31 0.00 0.00 175.10 175.55 2kwq s VAL 766 N -3.96 0.02 -0.27 1.32 0.11 0.72 -1.33 120.40 117.01 2kwq s VAL 766 Ca 0.38 -0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 2kwq s VAL 766 Cb 0.07 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.80 2kwq s VAL 766 CO 0.14 -0.08 0.05 -0.89 -3.33 0.00 0.00 175.10 170.99 2kwq s THR 767 N -0.21 3.92 -0.16 5.04 2.01 -0.15 -1.08 115.64 125.00 2kwq s THR 767 Ca -0.03 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2kwq s THR 767 Cb -0.02 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 2kwq s THR 767 CO 0.00 0.20 1.31 0.00 -0.69 0.00 0.00 174.62 175.43 2kwq h LYS 769 N 8.42 0.00 0.24 0.00 1.79 -1.17 -0.59 116.57 125.26 2kwq h LYS 769 Ca -0.28 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.85 2kwq h LYS 769 Cb 1.11 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2kwq h LYS 769 CO 0.97 0.00 -1.55 1.15 -1.08 0.00 0.00 179.45 178.94 2kwq h THR 770 N 0.00 1.20 0.00 -0.16 2.02 -1.92 -3.37 112.91 110.67 2kwq h THR 770 Ca 0.00 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2kwq h THR 770 Cb 0.92 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 2kwq h THR 770 CO 0.00 0.82 -1.70 0.00 0.37 0.00 0.00 175.52 175.01 2kwq n LYS 772 N -2.04 -0.43 -3.63 0.00 4.01 -0.23 -5.06 118.16 110.79 2kwq n LYS 772 Ca -0.02 0.66 -0.24 0.00 -0.51 0.00 0.00 58.31 58.20 2kwq n LYS 772 Cb 0.49 -4.43 -0.02 0.00 -0.51 0.00 0.00 35.03 30.56 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 -2.23 3.48 -0.07 2.13 -0.85 -1.21 -4.95 117.35 113.65 2kwq s TYR 773 Ca 0.00 0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.84 2kwq s TYR 773 Cb 0.00 -1.80 -0.01 0.00 0.38 0.00 0.00 41.96 40.53 2kwq s TYR 773 CO 0.00 0.28 -0.20 0.99 -1.52 0.00 0.00 175.55 175.10 2kwq s THR 774 N -2.10 2.48 0.35 -3.49 2.01 -1.26 -1.57 115.64 112.06 2kwq s THR 774 Ca 0.38 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 2kwq s THR 774 Cb -0.10 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.51 2kwq s THR 774 CO 0.32 0.57 0.69 1.57 -0.69 0.00 0.00 174.62 177.07 2kwq n HIS 775 N 2.93 -2.16 0.14 4.92 -0.00 -0.24 -4.90 115.22 115.91 2kwq n HIS 775 Ca -0.18 -1.70 -0.01 0.00 -0.00 0.00 0.00 57.72 55.83 2kwq n HIS 775 Cb 0.52 0.81 0.19 0.00 -0.00 0.00 0.00 29.99 31.51 2kwq n HIS 775 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 2kwq h PHE 776 N 1.89 0.01 -2.68 1.57 0.04 -1.86 0.21 116.94 116.11 2kwq h PHE 776 Ca -0.30 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.44 2kwq h PHE 776 Cb 1.10 -0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.11 2kwq h PHE 776 CO 0.00 0.59 0.21 -1.59 -0.60 0.00 0.00 178.31 176.92 2kwq s LYS 777 N -3.69 1.20 0.53 1.51 -2.85 -1.26 -4.32 119.74 110.86 2kwq s LYS 777 Ca -0.02 -0.25 -0.18 0.00 -1.00 0.00 0.00 55.97 54.53 2kwq s LYS 777 Cb 0.13 0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 36.39 2kwq s LYS 777 CO 0.76 -0.49 1.03 -1.25 0.10 0.00 0.00 175.35 175.51 2kwq s PRO 778 N -2.97 3.64 0.74 1.78 0.04 -1.26 -4.95 135.00 132.02 2kwq s PRO 778 Ca -0.02 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2kwq s PRO 778 Cb -0.01 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2kwq s PRO 778 CO -0.06 -0.54 1.09 0.15 0.04 0.00 0.00 177.00 177.68 2kwq s LYS 779 N -3.73 2.43 0.43 4.56 1.02 -1.26 -4.86 119.74 118.31 2kwq s LYS 779 Ca 0.64 1.19 0.09 0.00 0.02 0.00 0.00 55.97 57.91 2kwq s LYS 779 Cb -0.15 -1.92 0.92 0.00 -0.52 0.00 0.00 37.83 36.17 2kwq s LYS 779 CO 0.29 -1.52 2.05 0.93 -0.92 0.00 0.00 175.35 176.18 2kwq h GLU 780 N -0.87 0.38 -0.41 1.68 5.08 -1.99 -0.34 114.58 118.11 2kwq h GLU 780 Ca -0.44 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2kwq h GLU 780 Cb 1.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2kwq h GLU 780 CO 0.52 0.30 0.04 1.79 -1.00 0.00 0.00 179.01 180.66 2kwq h THR 781 N 0.39 1.25 -0.71 1.13 1.35 -1.98 -0.24 112.91 114.09 2kwq h THR 781 Ca 0.10 -0.94 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 2kwq h THR 781 Cb 0.03 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 2kwq h THR 781 CO -0.02 0.32 0.25 0.00 -0.25 0.00 0.00 175.52 175.83 2kwq h VAL 783 N 1.03 1.28 -0.28 0.00 2.07 -1.07 -0.81 116.25 118.47 2kwq h VAL 783 Ca 0.23 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 2kwq h VAL 783 Cb 0.26 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2kwq h VAL 783 CO -0.01 0.41 -0.35 -1.28 0.02 0.00 0.00 177.57 176.35 2kwq h SER 784 N 0.54 0.80 0.39 0.57 0.87 -0.84 -2.83 113.55 113.05 2kwq h SER 784 Ca 0.09 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2kwq h SER 784 Cb 0.66 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kwq h SER 784 CO 0.04 1.13 0.00 -0.62 -0.53 0.00 0.00 176.83 176.86 2kwq n GLU 785 N -4.20 0.43 -3.53 2.24 -0.58 0.02 -4.94 120.64 110.08 2kwq n GLU 785 Ca -0.04 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 2kwq n GLU 785 Cb 0.51 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.96 2kwq n GLU 785 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kwq n ASN 786 N -1.24 -3.02 -4.72 1.62 3.02 -0.89 -5.00 115.26 105.03 2kwq n ASN 786 Ca 0.13 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.69 2kwq n ASN 786 Cb 0.18 -4.91 0.09 0.00 -0.61 0.00 0.00 39.78 34.53 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2kwq s HIS 787 N -3.39 2.01 0.14 3.10 3.76 -0.36 -5.02 115.29 115.52 2kwq s HIS 787 Ca 0.16 1.55 -0.26 0.00 -0.15 0.00 0.00 55.06 56.37 2kwq s HIS 787 Cb -0.07 -3.60 -0.07 0.00 1.11 0.00 0.00 32.58 29.94 2kwq s HIS 787 CO 0.75 -2.84 0.79 -0.51 -0.85 0.00 0.00 174.74 172.07 2kwq s ASP 788 N -1.69 7.37 0.03 1.40 1.01 -1.26 -4.92 116.67 118.61 2kwq s ASP 788 Ca 0.79 1.62 -0.05 0.00 0.71 0.00 0.00 52.55 55.62 2kwq s ASP 788 Cb -0.34 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.08 2kwq s ASP 788 CO 0.43 0.15 0.08 0.72 0.21 0.00 0.00 175.17 176.76 2kwq s PHE 789 N -0.83 0.18 -0.13 4.23 -0.12 -1.26 -0.61 117.98 119.43 2kwq s PHE 789 Ca 0.37 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 2kwq s PHE 789 Cb -0.23 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.02 2kwq s PHE 789 CO 0.26 -0.32 -0.16 -1.01 -0.05 0.00 0.00 175.22 173.94 2kwq s HIS 790 N -2.22 2.75 0.18 3.49 3.76 -0.42 -4.95 115.29 117.88 2kwq s HIS 790 Ca -0.08 -0.85 -0.06 0.00 -0.15 0.00 0.00 55.06 53.92 2kwq s HIS 790 Cb -0.04 -1.83 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 2kwq s HIS 790 CO -0.03 -0.33 0.44 -1.58 -0.85 0.00 0.00 174.74 172.38 2kwq s TRP 791 N 0.49 3.46 0.28 1.40 0.52 -1.26 -0.98 118.94 122.86 2kwq s TRP 791 Ca -0.11 0.62 -0.19 0.00 0.02 0.00 0.00 56.10 56.44 2kwq s TRP 791 Cb -0.16 -2.06 0.07 0.00 -1.15 0.00 0.00 33.47 30.16 2kwq s TRP 791 CO 0.05 0.36 0.92 -3.38 0.02 0.00 0.00 176.95 174.92 2kwq s HIS 792 N -1.76 0.09 0.24 -1.98 -3.43 -0.44 -4.99 115.29 103.02 2kwq s HIS 792 Ca 0.43 -0.62 -0.02 0.00 -0.80 0.00 0.00 55.06 54.05 2kwq s HIS 792 Cb -0.12 0.77 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 2kwq s HIS 792 CO 0.25 -1.23 0.44 -0.80 -2.00 0.00 0.00 174.74 171.40 2kwq s ASN 793 N -3.25 6.39 0.27 7.38 -0.87 -1.26 -0.02 114.94 123.58 2kwq s ASN 793 Ca 0.19 0.48 -0.08 0.00 -1.57 0.00 0.00 52.86 51.87 2kwq s ASN 793 Cb -0.04 -2.04 0.03 0.00 -0.02 0.00 0.00 41.25 39.18 2kwq s ASN 793 CO 0.08 -0.10 0.51 0.61 -2.57 0.00 0.00 177.10 175.63 2kwq n GLY 794 N -0.83 1.53 3.01 0.66 0.00 -0.56 -4.81 105.19 104.20 2kwq n GLY 794 Ca -0.04 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 2kwq n GLY 794 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kwq s VAL 795 N -2.45 0.91 0.05 1.61 1.01 -1.26 -1.24 120.40 119.03 2kwq s VAL 795 Ca 0.13 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2kwq s VAL 795 Cb -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kwq s VAL 795 CO 0.10 0.29 0.10 -1.59 0.00 0.00 0.00 175.10 173.99 2kwq s LYS 796 N 0.32 3.00 -0.10 2.72 -2.85 -1.01 -4.70 119.74 117.12 2kwq s LYS 796 Ca -0.06 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 2kwq s LYS 796 Cb -0.11 -2.80 -0.02 0.00 -2.06 0.00 0.00 37.83 32.84 2kwq s LYS 796 CO 0.01 0.59 -0.15 1.03 0.10 0.00 0.00 175.35 176.94 2kwq s ARG 797 N -2.23 3.10 -0.02 1.78 1.81 0.43 -4.05 118.95 119.77 2kwq s ARG 797 Ca 0.28 -0.72 -0.03 0.00 -1.72 0.00 0.00 55.73 53.54 2kwq s ARG 797 Cb -0.12 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 2kwq s ARG 797 CO 0.21 0.32 0.17 -0.06 -0.68 0.00 0.00 175.30 175.26 2kwq s PHE 798 N 0.06 3.54 0.06 -0.53 0.08 -1.24 -1.21 117.98 118.74 2kwq s PHE 798 Ca -0.06 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.38 2kwq s PHE 798 Cb -0.15 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2kwq s PHE 798 CO 0.05 0.65 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.68 2kwq s PHE 799 N -1.29 0.77 0.01 0.36 0.40 -0.17 -0.55 117.98 117.51 2kwq s PHE 799 Ca 0.26 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2kwq s PHE 799 Cb -0.13 -0.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.94 2kwq s PHE 799 CO 0.17 -0.10 -0.11 0.21 0.70 0.00 0.00 175.22 176.09 2kwq s LYS 800 N -2.36 0.80 0.10 0.44 2.20 -0.30 -2.15 119.74 118.48 2kwq s LYS 800 Ca -0.02 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2kwq s LYS 800 Cb -0.05 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.46 2kwq s LYS 800 CO -0.01 0.20 0.30 0.00 -0.36 0.00 0.00 175.35 175.47 2kwq h PRO 802 N 2.91 0.00 0.00 0.00 0.13 -1.88 -1.64 132.00 131.51 2kwq h PRO 802 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kwq h PRO 802 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kwq h PRO 802 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2kwq n GLY 804 N 0.77 0.59 3.74 0.00 0.00 -0.62 -5.11 105.19 104.55 2kwq n GLY 804 Ca 0.05 0.00 -0.33 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 -1.99 4.47 0.17 1.61 2.47 -1.26 -4.81 114.94 115.60 2kwq s ASN 805 Ca 0.00 2.18 0.06 0.00 0.42 0.00 0.00 52.86 55.52 2kwq s ASN 805 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 2kwq s ASN 805 CO 0.00 -2.07 -0.13 -0.13 -3.72 0.00 0.00 177.10 171.05 2kwq s ARG 806 N -4.09 1.19 0.33 0.43 1.81 -1.26 -1.00 118.95 116.36 2kwq s ARG 806 Ca 0.70 -1.47 -0.16 0.00 -1.72 0.00 0.00 55.73 53.08 2kwq s ARG 806 Cb -0.25 -0.94 0.03 0.00 -0.45 0.00 0.00 34.95 33.34 2kwq s ARG 806 CO 0.45 0.16 0.70 -0.08 -0.68 0.00 0.00 175.30 175.85 2kwq s THR 807 N -2.86 0.00 -0.01 0.02 -1.32 -0.91 -4.99 115.64 105.56 2kwq s THR 807 Ca 0.18 -1.10 -0.03 0.00 -1.21 0.00 0.00 61.69 59.53 2kwq s THR 807 Cb -0.01 -2.50 -0.00 0.00 -1.51 0.00 0.00 72.50 68.48 2kwq s THR 807 CO 0.04 0.00 0.06 -0.63 -2.21 0.00 0.00 174.62 171.88 2kwq s ILE 808 N -3.09 0.04 0.14 5.08 1.01 -1.26 -1.00 121.20 122.12 2kwq s ILE 808 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2kwq s ILE 808 Cb -0.04 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 2kwq s ILE 808 CO 0.11 -0.17 0.08 -0.55 0.00 0.00 0.00 174.94 174.41 2kwq s SER 809 N -0.53 0.27 0.00 3.58 0.15 -0.35 -4.97 113.70 111.85 2kwq s SER 809 Ca -0.06 -1.21 0.25 0.00 0.70 0.00 0.00 55.95 55.63 2kwq s SER 809 Cb -0.04 0.32 0.42 0.00 -1.71 0.00 0.00 66.02 65.01 2kwq s SER 809 CO 0.00 -0.76 1.35 0.18 1.20 0.00 0.00 173.24 175.22 2kwq n LEU 810 N -0.12 0.70 -4.99 3.45 4.77 -1.26 -0.43 117.00 119.12 2kwq n LEU 810 Ca -0.05 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.61 2kwq n LEU 810 Cb 0.64 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2kwq n LEU 810 CO 0.30 0.16 0.19 -0.62 -1.33 0.00 0.00 177.39 176.10 2kwq s ASP 811 N -2.91 5.68 0.21 -1.43 2.15 -1.26 -4.87 116.67 114.25 2kwq s ASP 811 Ca 0.13 -0.18 0.19 0.00 0.43 0.00 0.00 52.55 53.12 2kwq s ASP 811 Cb 0.18 -0.98 0.88 0.00 -0.30 0.00 0.00 42.92 42.70 2kwq s ASP 811 CO 0.69 -0.75 1.58 -2.11 -0.17 0.00 0.00 175.17 174.41 2kwq n ARG 812 N -1.93 0.13 -3.68 4.34 1.85 -1.26 -4.67 116.66 111.43 2kwq n ARG 812 Ca 0.05 0.48 -0.13 0.00 -1.00 0.00 0.00 57.85 57.25 2kwq n ARG 812 Cb 0.59 -1.81 -0.09 0.00 -1.05 0.00 0.00 32.46 30.11 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 -4.11 -0.20 0.61 2.89 2.96 -1.26 -4.92 118.68 114.64 2kwq s LEU 813 Ca 0.02 1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 54.92 2kwq s LEU 813 Cb 0.07 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.66 2kwq s LEU 813 CO 0.26 -0.20 1.08 -2.16 -1.32 0.00 0.00 176.35 174.01 2kwq s PRO 814 N 0.47 3.17 0.07 0.98 0.04 -1.26 -4.99 135.00 133.47 2kwq s PRO 814 Ca -0.01 1.27 0.24 0.00 0.04 0.00 0.00 61.00 62.54 2kwq s PRO 814 Cb -0.04 -2.01 0.40 0.00 0.04 0.00 0.00 34.50 32.89 2kwq s PRO 814 CO -0.02 -0.94 1.35 0.36 0.04 0.00 0.00 177.00 177.79 2kwq n LYS 815 N -2.12 0.19 -4.08 4.56 0.00 -1.26 -4.99 118.16 110.46 2kwq n LYS 815 Ca 0.09 0.05 -0.25 0.00 -0.00 0.00 0.00 58.31 58.20 2kwq n LYS 815 Cb 0.52 -1.61 -0.05 0.00 -0.00 0.00 0.00 35.03 33.89 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 -3.11 2.93 0.69 -1.58 0.00 -1.26 -5.13 119.74 112.27 2kwq s LYS 816 Ca 0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 55.97 55.05 2kwq s LYS 816 Cb 0.15 -2.64 0.02 0.00 0.00 0.00 0.00 37.83 35.35 2kwq s LYS 816 CO 0.71 0.47 1.06 -1.01 0.00 0.00 0.00 175.35 176.58 2kwq s HIS 817 N -1.82 3.29 0.27 1.78 3.76 -1.26 -4.96 115.29 116.34 2kwq s HIS 817 Ca 0.31 0.94 -0.30 0.00 -0.15 0.00 0.00 55.06 55.87 2kwq s HIS 817 Cb -0.10 -3.03 -0.11 0.00 1.11 0.00 0.00 32.58 30.45 2kwq s HIS 817 CO 0.24 -1.14 1.59 0.00 -0.85 0.00 0.00 174.74 174.57 2kwq h SER 819 N 5.21 0.00 0.00 0.00 0.02 -1.94 -2.88 113.55 113.95 2kwq h SER 819 Ca -0.46 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.25 2kwq h SER 819 Cb 1.22 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2kwq h SER 819 CO 0.82 0.00 -1.90 0.41 -1.14 0.00 0.00 176.83 175.02 2kwq n THR 820 N -2.61 0.90 0.00 -2.27 -1.04 -1.26 -4.82 114.28 103.19 2kwq n THR 820 Ca 0.03 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2kwq n THR 820 Cb 0.33 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 0.91 1.15 1.28 0.00 0.00 -1.09 -5.01 105.19 102.44 2kwq n GLY 822 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2kwq n GLY 822 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kwq n LEU 823 N 0.00 0.00 -3.77 0.99 -0.00 -1.26 -4.45 117.00 108.51 2kwq n LEU 823 Ca 0.00 -0.61 -0.30 0.00 -0.00 0.00 0.00 56.01 55.10 2kwq n LEU 823 Cb 0.00 -0.26 -0.14 0.00 -0.00 0.00 0.00 43.42 43.01 2kwq n LEU 823 CO 0.00 -0.72 -0.31 0.12 -0.00 0.00 0.00 177.39 176.48 2kwq s PHE 824 N -1.29 2.11 -0.02 1.47 5.36 -1.26 -1.14 117.98 123.21 2kwq s PHE 824 Ca 0.23 -2.13 0.24 0.00 -0.96 0.00 0.00 56.93 54.31 2kwq s PHE 824 Cb -0.01 -1.96 0.40 0.00 -0.34 0.00 0.00 43.02 41.11 2kwq s PHE 824 CO 0.16 -0.86 1.16 1.63 -1.46 0.00 0.00 175.22 175.84 2kwq n LYS 825 N 4.40 0.11 -1.75 10.12 4.76 -1.26 -5.10 118.16 129.44 2kwq n LYS 825 Ca 0.02 -2.01 -0.42 0.00 -2.87 0.00 0.00 58.31 53.03 2kwq n LYS 825 Cb 0.40 -0.05 -0.02 0.00 -1.84 0.00 0.00 35.03 33.51 2kwq n LYS 825 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2kwq s TRP 826 N -0.22 2.81 -0.11 2.13 0.52 -1.26 -4.44 118.94 118.36 2kwq s TRP 826 Ca 0.31 0.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.00 2kwq s TRP 826 Cb 0.36 -4.11 -0.02 0.00 -1.15 0.00 0.00 33.47 28.54 2kwq s TRP 826 CO -0.15 -3.95 -0.08 -2.00 0.02 0.00 0.00 176.95 170.79 2kwq s GLU 827 N 0.22 3.18 0.04 4.98 2.56 0.04 -4.95 118.70 124.76 2kwq s GLU 827 Ca 0.68 -0.59 -0.30 0.00 0.00 0.00 0.00 54.97 54.76 2kwq s GLU 827 Cb -0.49 -2.68 -0.05 0.00 2.00 0.00 0.00 34.13 32.91 2kwq s GLU 827 CO 0.41 0.42 1.19 0.50 -0.56 0.00 0.00 175.26 177.21 2kwq s ARG 828 N -0.15 4.43 0.37 4.30 3.52 -1.26 -1.15 118.95 129.01 2kwq s ARG 828 Ca 0.01 1.73 0.04 0.00 -0.13 0.00 0.00 55.73 57.39 2kwq s ARG 828 Cb -0.13 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2kwq s ARG 828 CO 0.03 -0.27 0.16 0.14 -0.81 0.00 0.00 175.30 174.55 2kwq s VAL 829 N 1.24 0.43 0.48 7.11 -7.23 0.29 -4.94 120.40 117.78 2kwq s VAL 829 Ca 0.58 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2kwq s VAL 829 Cb -0.28 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kwq s VAL 829 CO 0.28 0.00 0.38 -0.83 -0.31 0.00 0.00 175.10 174.62 2kwq s GLY 830 N -3.51 2.24 -0.28 2.32 0.00 -1.26 -3.65 107.32 103.18 2kwq s GLY 830 Ca 0.30 -1.67 -0.19 0.00 0.00 0.00 0.00 44.72 43.16 2kwq s GLY 830 CO 0.18 -1.83 0.91 -0.29 0.00 0.00 0.00 173.10 172.07 2kwq s MET 831 N -4.19 0.52 0.21 2.90 0.00 -0.09 -4.94 119.30 113.71 2kwq s MET 831 Ca 0.42 0.79 -0.05 0.00 0.00 0.00 0.00 55.69 56.85 2kwq s MET 831 Cb -0.02 0.16 0.02 0.00 0.00 0.00 0.00 34.83 34.99 2kwq s MET 831 CO 0.25 -0.09 0.38 -0.11 0.00 0.00 0.00 175.02 175.44 2kwq n LEU 832 N 3.39 0.00 0.29 4.11 7.94 -1.26 -4.33 117.00 127.14 2kwq n LEU 832 Ca -0.17 -1.50 0.19 0.00 -1.11 0.00 0.00 56.01 53.42 2kwq n LEU 832 Cb 0.57 1.86 0.89 0.00 0.53 0.00 0.00 43.42 47.28 2kwq n LEU 832 CO 0.01 -0.44 1.06 0.07 -1.11 0.00 0.00 177.39 176.99 2kwq h LYS 833 N 0.00 0.00 -5.30 1.96 2.10 -2.00 -3.45 116.57 109.87 2kwq h LYS 833 Ca -0.17 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.85 2kwq h LYS 833 Cb 0.68 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.84 2kwq h LYS 833 CO 0.23 0.00 -0.59 -2.00 -2.00 0.00 0.00 179.45 175.08 2kwq s GLU 834 N -3.84 3.87 0.77 0.07 2.56 -1.26 -5.11 118.70 115.76 2kwq s GLU 834 Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.97 54.44 2kwq s GLU 834 Cb 0.10 -3.12 0.06 0.00 2.00 0.00 0.00 34.13 33.18 2kwq s GLU 834 CO 0.47 0.28 1.12 -1.59 -0.56 0.00 0.00 175.26 174.98 2kwq s LYS 835 N 0.32 2.14 0.88 4.30 0.00 -1.26 -5.07 119.74 121.05 2kwq s LYS 835 Ca 0.01 1.35 -0.12 0.00 0.00 0.00 0.00 55.97 57.21 2kwq s LYS 835 Cb -0.13 -1.87 0.12 0.00 0.00 0.00 0.00 37.83 35.95 2kwq s LYS 835 CO 0.01 -1.76 1.11 0.95 0.00 0.00 0.00 175.35 175.66 2kwq s THR 836 N -2.64 2.46 0.00 3.79 -4.23 -1.26 -4.88 115.64 108.88 2kwq s THR 836 Ca 0.65 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 2kwq s THR 836 Cb -0.20 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2kwq s THR 836 CO 0.52 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2kwq n GLY 837 N -1.90 -0.04 3.68 3.99 0.00 -1.26 -4.93 105.19 104.73 2kwq n GLY 837 Ca 0.07 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.50 2kwq n GLY 837 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kwq n PRO 838 N 4.04 2.11 0.16 1.61 -0.02 -1.26 -4.93 135.00 136.71 2kwq n PRO 838 Ca 0.00 0.75 0.03 0.00 -2.02 0.00 0.00 63.50 62.26 2kwq n PRO 838 Cb 0.00 -2.40 0.23 0.00 -0.02 0.00 0.00 33.50 31.32 2kwq n PRO 838 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2kwq h LYS 839 N 3.87 0.00 -7.06 -0.52 3.64 -1.91 -3.45 116.57 111.12 2kwq h LYS 839 Ca -0.45 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.39 2kwq h LYS 839 Cb 1.27 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 33.21 2kwq h LYS 839 CO 0.73 0.47 0.52 -1.17 -2.27 0.00 0.00 179.45 177.73 2kwq s LEU 840 N -6.99 3.78 0.00 5.20 2.96 -1.26 -4.87 118.68 117.50 2kwq s LEU 840 Ca 0.01 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 2kwq s LEU 840 Cb 0.10 -4.43 0.00 0.00 0.50 0.00 0.00 46.19 42.36 2kwq s LEU 840 CO 0.71 -1.50 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 2kwq n GLY 841 N 0.61 -1.90 0.00 7.98 0.00 -1.26 -5.17 105.19 105.45 2kwq n GLY 841 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93