#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq s PRO -3 N 0.00 0.60 0.00 1.61 0.04 -1.26 -4.97 135.00 131.03 2kwq s PRO -3 Ca 0.00 0.11 0.16 0.00 0.04 0.00 0.00 61.00 61.31 2kwq s PRO -3 Cb 0.00 -1.79 0.71 0.00 0.04 0.00 0.00 34.50 33.46 2kwq s PRO -3 CO 0.00 -2.53 1.50 -1.33 0.04 0.00 0.00 177.00 174.69 2kwq n MET -2 N -3.96 0.05 0.00 4.56 2.81 -1.26 -5.00 117.12 114.32 2kwq n MET -2 Ca 0.09 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 2kwq n MET -2 Cb 0.59 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2kwq n MET -2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kwq n GLY -1 N 0.14 -0.69 0.04 3.03 0.00 -1.26 -3.71 105.19 102.74 2kwq n GLY -1 Ca 0.05 -1.14 0.12 0.00 0.00 0.00 0.00 46.02 45.05 2kwq n GLY -1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kwq n MET 755 N 0.00 0.15 0.11 1.61 2.81 -1.26 -4.25 117.12 116.29 2kwq n MET 755 Ca 0.00 0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 2kwq n MET 755 Cb 0.00 -1.60 -0.03 0.00 -0.71 0.00 0.00 33.22 30.88 2kwq n MET 755 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2kwq h GLN 756 N 0.00 0.00 -3.22 0.03 4.15 -2.01 -3.47 115.11 110.58 2kwq h GLN 756 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2kwq h GLN 756 Cb 0.63 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.19 2kwq h GLN 756 CO 0.00 0.67 0.01 0.45 -1.93 0.00 0.00 178.83 178.03 2kwq s SER 757 N -6.53 -0.34 0.05 -0.69 0.15 -1.24 -5.19 113.70 99.91 2kwq s SER 757 Ca 0.03 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.54 2kwq s SER 757 Cb 0.08 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 2kwq s SER 757 CO 0.77 -0.86 -0.13 -0.63 1.20 0.00 0.00 173.24 173.59 2kwq s ILE 758 N -3.60 1.01 0.42 6.45 1.09 -1.26 -4.22 121.20 121.09 2kwq s ILE 758 Ca 0.01 -1.11 0.23 0.00 -1.10 0.00 0.00 60.65 58.68 2kwq s ILE 758 Cb 0.01 -0.96 0.25 0.00 -1.06 0.00 0.00 42.46 40.70 2kwq s ILE 758 CO -0.11 -0.14 2.03 0.08 -0.10 0.00 0.00 174.94 176.71 2kwq h ARG 759 N 4.64 0.00 -6.86 2.79 0.11 -1.97 -3.44 114.38 109.65 2kwq h ARG 759 Ca -0.39 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.21 2kwq h ARG 759 Cb 1.19 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.30 2kwq h ARG 759 CO 0.42 0.15 0.06 -1.83 0.10 0.00 0.00 179.97 178.87 2kwq s GLU 760 N -4.32 3.53 -0.08 0.08 -1.05 -1.26 -4.07 118.70 111.53 2kwq s GLU 760 Ca -0.03 0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 54.78 2kwq s GLU 760 Cb 0.14 -2.43 0.03 0.00 -0.44 0.00 0.00 34.13 31.43 2kwq s GLU 760 CO 0.63 -0.14 0.30 1.14 0.95 0.00 0.00 175.26 178.13 2kwq s GLN 761 N -4.67 0.47 0.53 -4.83 -2.07 -1.18 -5.01 119.66 102.90 2kwq s GLN 761 Ca 0.46 0.17 -0.17 0.00 -1.82 0.00 0.00 55.36 54.00 2kwq s GLN 761 Cb -0.10 0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 31.97 2kwq s GLN 761 CO 0.43 -0.09 1.02 -1.12 -1.32 0.00 0.00 175.29 174.21 2kwq s SER 762 N -0.43 6.27 0.33 12.60 0.01 -1.26 -2.09 113.70 129.13 2kwq s SER 762 Ca -0.05 1.74 -0.18 0.00 1.31 0.00 0.00 55.95 58.77 2kwq s SER 762 Cb -0.04 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kwq s SER 762 CO 0.02 -0.83 0.77 0.00 0.41 0.00 0.00 173.24 173.61 2kwq s ARG 764 N -3.04 4.27 0.17 0.00 3.52 -1.26 -1.35 118.95 121.27 2kwq s ARG 764 Ca 0.14 0.75 0.01 0.00 -0.13 0.00 0.00 55.73 56.50 2kwq s ARG 764 Cb -0.05 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2kwq s ARG 764 CO 0.09 0.50 0.03 0.14 -0.81 0.00 0.00 175.30 175.26 2kwq s VAL 765 N -0.66 0.49 -0.01 7.11 -7.23 0.91 -4.81 120.40 116.21 2kwq s VAL 765 Ca 0.30 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2kwq s VAL 765 Cb -0.19 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2kwq s VAL 765 CO 0.18 -0.40 0.01 0.54 -0.31 0.00 0.00 175.10 175.13 2kwq s VAL 766 N -3.79 0.00 -0.26 1.32 0.11 0.43 -1.00 120.40 117.22 2kwq s VAL 766 Ca 0.26 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.31 2kwq s VAL 766 Cb 0.07 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.82 2kwq s VAL 766 CO 0.05 0.05 0.10 -0.89 -3.33 0.00 0.00 175.10 171.07 2kwq s THR 767 N 0.47 4.52 -0.23 5.04 2.01 -0.40 -1.40 115.64 125.64 2kwq s THR 767 Ca -0.04 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 2kwq s THR 767 Cb -0.06 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2kwq s THR 767 CO -0.01 0.32 1.41 0.00 -0.69 0.00 0.00 174.62 175.64 2kwq h LYS 769 N 9.52 0.00 -0.06 0.00 1.79 -1.20 0.33 116.57 126.95 2kwq h LYS 769 Ca -0.29 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.14 2kwq h LYS 769 Cb 1.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2kwq h LYS 769 CO 1.01 0.16 -0.11 1.15 -1.08 0.00 0.00 179.45 180.58 2kwq h THR 770 N 0.00 1.41 0.00 -0.16 2.02 -1.91 -3.36 112.91 110.90 2kwq h THR 770 Ca -0.00 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.78 2kwq h THR 770 Cb 0.92 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2kwq h THR 770 CO 0.02 0.38 -1.57 0.00 0.37 0.00 0.00 175.52 174.72 2kwq n LYS 772 N -2.48 -0.46 -3.42 0.00 4.01 0.10 -5.06 118.16 110.86 2kwq n LYS 772 Ca -0.04 0.55 -0.25 0.00 -0.51 0.00 0.00 58.31 58.06 2kwq n LYS 772 Cb 0.60 -4.21 -0.02 0.00 -0.51 0.00 0.00 35.03 30.89 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 -2.08 3.49 -0.03 2.13 -0.85 -1.23 -4.94 117.35 113.84 2kwq s TYR 773 Ca 0.00 0.40 0.05 0.00 -0.52 0.00 0.00 57.07 57.01 2kwq s TYR 773 Cb 0.00 -1.93 -0.01 0.00 0.38 0.00 0.00 41.96 40.40 2kwq s TYR 773 CO 0.00 0.17 -0.18 0.99 -1.52 0.00 0.00 175.55 175.01 2kwq s THR 774 N -2.21 1.48 0.08 -3.49 2.01 -1.26 -1.86 115.64 110.40 2kwq s THR 774 Ca 0.40 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2kwq s THR 774 Cb -0.10 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2kwq s THR 774 CO 0.34 0.42 0.22 1.41 -0.69 0.00 0.00 174.62 176.32 2kwq n HIS 775 N 2.86 -1.10 0.18 4.92 8.25 -0.49 -4.91 115.22 124.92 2kwq n HIS 775 Ca -0.16 -0.40 0.04 0.00 -0.26 0.00 0.00 57.72 56.93 2kwq n HIS 775 Cb 0.53 0.20 0.30 0.00 1.12 0.00 0.00 29.99 32.14 2kwq n HIS 775 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 2kwq h PHE 776 N 1.25 0.00 -2.53 4.41 0.04 -1.87 0.12 116.94 118.36 2kwq h PHE 776 Ca -0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 2kwq h PHE 776 Cb 0.31 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.30 2kwq h PHE 776 CO 0.00 0.43 0.16 -1.59 -0.60 0.00 0.00 178.31 176.71 2kwq s LYS 777 N -3.62 1.13 0.45 1.51 -2.85 -1.26 -4.47 119.74 110.63 2kwq s LYS 777 Ca -0.00 -0.11 -0.22 0.00 -1.00 0.00 0.00 55.97 54.63 2kwq s LYS 777 Cb 0.11 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.33 2kwq s LYS 777 CO 0.70 -0.42 1.08 -1.25 0.10 0.00 0.00 175.35 175.56 2kwq s PRO 778 N -2.38 3.90 0.72 1.78 0.04 -1.26 -4.95 135.00 132.85 2kwq s PRO 778 Ca -0.05 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2kwq s PRO 778 Cb -0.01 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.23 2kwq s PRO 778 CO -0.01 -0.38 1.08 0.15 0.04 0.00 0.00 177.00 177.88 2kwq s LYS 779 N -2.82 2.65 0.37 4.56 1.02 -1.26 -4.83 119.74 119.42 2kwq s LYS 779 Ca 0.63 1.07 0.04 0.00 0.02 0.00 0.00 55.97 57.74 2kwq s LYS 779 Cb -0.22 -1.95 0.71 0.00 -0.52 0.00 0.00 37.83 35.86 2kwq s LYS 779 CO 0.27 -1.33 2.01 1.05 -0.92 0.00 0.00 175.35 176.42 2kwq h GLU 780 N -0.83 0.74 -0.46 1.68 4.11 -1.99 -0.17 114.58 117.66 2kwq h GLU 780 Ca -0.44 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 58.85 2kwq h GLU 780 Cb 1.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2kwq h GLU 780 CO 0.54 0.49 -0.09 1.79 0.07 0.00 0.00 179.01 181.81 2kwq h THR 781 N 0.77 1.27 -0.46 -1.06 1.35 -1.98 -0.26 112.91 112.54 2kwq h THR 781 Ca 0.23 -1.21 -0.11 0.00 -0.55 0.00 0.00 66.41 64.77 2kwq h THR 781 Cb -0.00 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2kwq h THR 781 CO -0.06 0.42 -0.17 0.00 -0.25 0.00 0.00 175.52 175.46 2kwq h VAL 783 N 0.78 1.31 -0.37 0.00 2.07 -1.06 -0.60 116.25 118.38 2kwq h VAL 783 Ca 0.12 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 2kwq h VAL 783 Cb 0.70 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2kwq h VAL 783 CO 0.05 0.45 -0.25 -1.28 0.02 0.00 0.00 177.57 176.57 2kwq h SER 784 N 0.33 0.86 0.97 0.57 0.87 -0.86 -2.88 113.55 113.41 2kwq h SER 784 Ca 0.04 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2kwq h SER 784 Cb 0.84 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2kwq h SER 784 CO 0.07 1.11 -0.03 -0.62 -0.53 0.00 0.00 176.83 176.82 2kwq n GLU 785 N -4.21 0.00 -3.38 2.24 1.02 0.09 -4.97 120.64 111.42 2kwq n GLU 785 Ca -0.02 -0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.95 2kwq n GLU 785 Cb 0.46 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.46 2kwq n GLU 785 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kwq n ASN 786 N -1.50 -3.36 -4.69 1.62 3.02 -0.72 -5.02 115.26 104.62 2kwq n ASN 786 Ca 0.07 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 2kwq n ASN 786 Cb 0.34 -5.14 0.14 0.00 -0.61 0.00 0.00 39.78 34.51 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 -3.37 1.74 -0.25 3.10 3.76 -0.31 -5.01 115.29 114.95 2kwq s HIS 787 Ca 0.13 1.71 -0.21 0.00 -0.15 0.00 0.00 55.06 56.54 2kwq s HIS 787 Cb -0.02 -3.45 -0.02 0.00 1.11 0.00 0.00 32.58 30.21 2kwq s HIS 787 CO 0.73 -2.85 0.65 -0.51 -0.85 0.00 0.00 174.74 171.91 2kwq s ASP 788 N -2.30 6.62 0.08 1.40 1.01 -1.26 -4.94 116.67 117.28 2kwq s ASP 788 Ca 0.71 0.76 0.10 0.00 0.71 0.00 0.00 52.55 54.83 2kwq s ASP 788 Cb -0.27 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2kwq s ASP 788 CO 0.53 -0.37 -0.25 0.72 0.21 0.00 0.00 175.17 176.00 2kwq s PHE 789 N 2.46 2.19 -0.19 4.23 -0.71 -1.26 -0.65 117.98 124.05 2kwq s PHE 789 Ca 0.27 -0.40 -0.04 0.00 -1.04 0.00 0.00 56.93 55.73 2kwq s PHE 789 Cb -0.15 -1.25 -0.02 0.00 -1.21 0.00 0.00 43.02 40.38 2kwq s PHE 789 CO 0.09 0.21 -0.03 -1.01 -1.34 0.00 0.00 175.22 173.13 2kwq s HIS 790 N -0.94 2.99 0.26 3.49 3.76 -0.12 -4.94 115.29 119.79 2kwq s HIS 790 Ca 0.11 -0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 54.34 2kwq s HIS 790 Cb -0.10 -2.04 -0.08 0.00 1.11 0.00 0.00 32.58 31.47 2kwq s HIS 790 CO 0.04 -0.28 0.60 -1.58 -0.85 0.00 0.00 174.74 172.67 2kwq s TRP 791 N 0.94 3.41 0.26 1.40 0.52 -1.26 -1.28 118.94 122.93 2kwq s TRP 791 Ca 0.00 0.98 -0.13 0.00 0.02 0.00 0.00 56.10 56.97 2kwq s TRP 791 Cb -0.15 -2.34 0.05 0.00 -1.15 0.00 0.00 33.47 29.88 2kwq s TRP 791 CO 0.01 0.22 0.65 -2.39 0.02 0.00 0.00 176.95 175.46 2kwq n HIS 792 N -0.20 -1.85 -3.62 -1.98 1.44 -0.17 -4.99 115.22 103.85 2kwq n HIS 792 Ca 0.01 -1.32 -0.33 0.00 -2.01 0.00 0.00 57.72 54.08 2kwq n HIS 792 Cb 0.53 0.66 -0.05 0.00 0.12 0.00 0.00 29.99 31.24 2kwq n HIS 792 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2kwq s ASN 793 N -2.64 6.55 0.00 4.39 -0.87 -1.26 -0.06 114.94 121.04 2kwq s ASN 793 Ca 0.13 0.69 -0.00 0.00 -1.57 0.00 0.00 52.86 52.11 2kwq s ASN 793 Cb -0.03 -2.13 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 2kwq s ASN 793 CO 0.08 0.09 0.00 0.61 -2.57 0.00 0.00 177.10 175.31 2kwq n GLY 794 N 0.39 2.51 2.90 0.66 0.00 -0.45 -4.84 105.19 106.36 2kwq n GLY 794 Ca -0.04 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.74 0.26 0.00 1.61 1.01 -1.26 -1.33 120.40 117.95 2kwq s VAL 795 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2kwq s VAL 795 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2kwq s VAL 795 CO 0.00 0.10 0.02 -1.59 0.00 0.00 0.00 175.10 173.63 2kwq s LYS 796 N 0.26 2.84 0.10 2.72 -2.85 -0.89 -4.55 119.74 117.36 2kwq s LYS 796 Ca -0.02 -0.59 0.07 0.00 -1.00 0.00 0.00 55.97 54.42 2kwq s LYS 796 Cb -0.05 -2.71 -0.03 0.00 -2.06 0.00 0.00 37.83 32.98 2kwq s LYS 796 CO -0.01 0.63 -0.18 -0.98 0.10 0.00 0.00 175.35 174.91 2kwq s ARG 797 N -1.62 1.02 -0.02 1.78 3.03 -0.00 -3.12 118.95 120.01 2kwq s ARG 797 Ca 0.20 -1.11 0.04 0.00 2.03 0.00 0.00 55.73 56.89 2kwq s ARG 797 Cb -0.12 -1.16 -0.03 0.00 -1.03 0.00 0.00 34.95 32.62 2kwq s ARG 797 CO 0.11 0.26 -0.12 -0.06 -1.13 0.00 0.00 175.30 174.36 2kwq s PHE 798 N -1.31 2.75 0.03 5.89 0.08 -1.26 -1.52 117.98 122.64 2kwq s PHE 798 Ca 0.04 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2kwq s PHE 798 Cb -0.09 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2kwq s PHE 798 CO 0.04 0.26 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.29 2kwq s PHE 799 N -0.84 0.56 0.04 0.36 0.08 -0.21 -0.80 117.98 117.18 2kwq s PHE 799 Ca 0.13 -0.48 0.08 0.00 0.12 0.00 0.00 56.93 56.78 2kwq s PHE 799 Cb -0.11 -0.35 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2kwq s PHE 799 CO 0.03 -0.10 -0.22 0.21 -0.10 0.00 0.00 175.22 175.04 2kwq s LYS 800 N -1.48 1.52 0.15 0.44 2.20 0.12 -1.47 119.74 121.22 2kwq s LYS 800 Ca -0.11 -0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 54.53 2kwq s LYS 800 Cb -0.10 -1.63 -0.04 0.00 -1.51 0.00 0.00 37.83 34.55 2kwq s LYS 800 CO 0.00 0.42 0.33 0.00 -0.36 0.00 0.00 175.35 175.74 2kwq h PRO 802 N 2.48 0.00 0.00 0.00 0.13 -1.89 -1.03 132.00 131.69 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 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 0.69 0.81 3.71 0.00 0.00 -0.39 -5.11 105.19 104.90 2kwq n GLY 804 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.87 3.78 0.09 1.61 2.47 -1.26 -4.74 114.94 115.02 2kwq s ASN 805 Ca 0.00 2.29 0.05 0.00 0.42 0.00 0.00 52.86 55.62 2kwq s ASN 805 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 2kwq s ASN 805 CO 0.00 -2.54 -0.13 -0.13 -3.72 0.00 0.00 177.10 170.58 2kwq s ARG 806 N -4.19 0.88 0.36 0.43 1.81 -1.26 -1.01 118.95 115.97 2kwq s ARG 806 Ca 0.72 -1.08 -0.14 0.00 -1.72 0.00 0.00 55.73 53.50 2kwq s ARG 806 Cb -0.27 -0.76 0.04 0.00 -0.45 0.00 0.00 34.95 33.52 2kwq s ARG 806 CO 0.50 0.15 0.73 -0.08 -0.68 0.00 0.00 175.30 175.92 2kwq s THR 807 N -1.83 0.00 0.01 0.02 -1.32 -0.54 -5.00 115.64 106.97 2kwq s THR 807 Ca 0.03 -1.10 0.02 0.00 -1.21 0.00 0.00 61.69 59.43 2kwq s THR 807 Cb -0.07 -2.72 -0.01 0.00 -1.51 0.00 0.00 72.50 68.19 2kwq s THR 807 CO 0.02 0.00 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.73 2kwq s ILE 808 N -2.66 0.50 0.07 5.08 1.01 -1.26 -1.04 121.20 122.90 2kwq s ILE 808 Ca 0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2kwq s ILE 808 Cb -0.04 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2kwq s ILE 808 CO 0.12 -0.02 -0.01 -0.55 0.00 0.00 0.00 174.94 174.49 2kwq s SER 809 N -0.57 0.44 0.22 3.58 0.15 -0.58 -4.97 113.70 111.98 2kwq s SER 809 Ca -0.01 -1.04 0.24 0.00 0.70 0.00 0.00 55.95 55.84 2kwq s SER 809 Cb -0.05 0.22 0.32 0.00 -1.71 0.00 0.00 66.02 64.81 2kwq s SER 809 CO 0.00 -0.63 1.37 -0.07 1.20 0.00 0.00 173.24 175.11 2kwq h LEU 810 N 3.08 0.00-10.50 3.45 3.38 -1.85 0.03 115.31 112.90 2kwq h LEU 810 Ca -0.34 -0.08 -0.44 0.00 0.09 0.00 0.00 57.88 57.11 2kwq h LEU 810 Cb 1.15 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.94 2kwq h LEU 810 CO 0.64 0.04 -0.10 -0.62 0.09 0.00 0.00 178.44 178.50 2kwq s ASP 811 N -4.96 5.32 0.00 -0.43 2.15 -1.26 -4.80 116.67 112.69 2kwq s ASP 811 Ca 0.05 -0.19 0.05 0.00 0.43 0.00 0.00 52.55 52.89 2kwq s ASP 811 Cb 0.11 -0.70 0.21 0.00 -0.30 0.00 0.00 42.92 42.24 2kwq s ASP 811 CO 0.71 -1.08 1.15 -2.11 -0.17 0.00 0.00 175.17 173.67 2kwq n ARG 812 N -2.22 0.00 -3.52 4.34 1.85 -1.26 -4.67 116.66 111.17 2kwq n ARG 812 Ca 0.09 0.41 -0.18 0.00 -1.00 0.00 0.00 57.85 57.17 2kwq n ARG 812 Cb 0.60 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.45 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 -2.99 -0.66 1.38 2.89 2.96 -1.26 -4.92 118.68 116.08 2kwq s LEU 813 Ca 0.02 0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 2kwq s LEU 813 Cb 0.03 2.53 0.35 0.00 0.50 0.00 0.00 46.19 49.61 2kwq s LEU 813 CO 0.09 -0.60 0.87 -2.65 -1.32 0.00 0.00 176.35 172.74 2kwq n PRO 814 N 0.95 -4.14 0.00 0.98 -0.02 -1.26 -4.95 135.00 126.56 2kwq n PRO 814 Ca -0.19 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.08 2kwq n PRO 814 Cb 0.57 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2kwq n PRO 814 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2kwq n LYS 815 N -5.37 0.00 -0.01 -0.52 0.00 -1.26 -5.00 118.16 106.01 2kwq n LYS 815 Ca 0.10 -0.29 0.11 0.00 -0.00 0.00 0.00 58.31 58.23 2kwq n LYS 815 Cb 0.58 -0.33 -0.16 0.00 -0.00 0.00 0.00 35.03 35.11 2kwq n LYS 815 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2kwq n LYS 816 N 0.00 0.57 -0.67 -1.58 2.85 -1.26 -5.11 118.16 112.97 2kwq n LYS 816 Ca 0.00 -0.17 0.02 0.00 -1.05 0.00 0.00 58.31 57.11 2kwq n LYS 816 Cb 0.47 -1.52 -0.01 0.00 -0.65 0.00 0.00 35.03 33.32 2kwq n LYS 816 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2kwq n HIS 817 N -2.15 -1.82 -1.97 5.58 8.25 -1.26 -4.97 115.22 116.88 2kwq n HIS 817 Ca -0.03 0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 58.01 2kwq n HIS 817 Cb 0.54 -1.77 -0.01 0.00 1.12 0.00 0.00 29.99 29.86 2kwq n HIS 817 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kwq n SER 819 N 0.82 0.33 -0.10 0.00 3.41 -1.26 -2.98 113.62 113.83 2kwq n SER 819 Ca 0.01 0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.57 2kwq n SER 819 Cb 0.40 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 2kwq n SER 819 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kwq n THR 820 N -1.57 1.15 0.00 6.66 -1.04 -1.26 -4.82 114.28 113.40 2kwq n THR 820 Ca 0.06 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2kwq n THR 820 Cb 0.35 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 1.11 1.24 0.00 0.00 0.00 -1.16 -5.03 105.19 101.35 2kwq n GLY 822 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.79 0.99 -0.00 -1.26 -4.45 117.00 108.48 2kwq n LEU 823 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2kwq n LEU 823 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2kwq n LEU 823 CO 0.00 -0.45 -0.37 0.12 -0.00 0.00 0.00 177.39 176.69 2kwq s PHE 824 N -0.25 1.67 0.00 1.47 2.19 -1.26 -1.31 117.98 120.48 2kwq s PHE 824 Ca 0.00 -1.43 0.16 0.00 0.33 0.00 0.00 56.93 55.99 2kwq s PHE 824 Cb 0.00 -1.44 0.26 0.00 -1.31 0.00 0.00 43.02 40.53 2kwq s PHE 824 CO 0.00 -0.75 1.09 1.63 1.83 0.00 0.00 175.22 179.02 2kwq n LYS 825 N 4.87 0.00 -1.80 10.12 4.76 -1.26 -5.10 118.16 129.75 2kwq n LYS 825 Ca -0.07 -1.58 -0.39 0.00 -2.87 0.00 0.00 58.31 53.41 2kwq n LYS 825 Cb 0.45 0.13 0.03 0.00 -1.84 0.00 0.00 35.03 33.80 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 0.00 2.33 -0.00 2.13 0.52 -1.26 -4.38 118.94 118.28 2kwq s TRP 826 Ca 0.21 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.71 2kwq s TRP 826 Cb 0.24 -3.82 -0.01 0.00 -1.15 0.00 0.00 33.47 28.73 2kwq s TRP 826 CO -0.10 -2.88 -0.10 -2.00 0.02 0.00 0.00 176.95 171.89 2kwq s GLU 827 N -2.81 0.80 0.23 4.98 2.56 -0.14 -4.98 118.70 119.35 2kwq s GLU 827 Ca 0.69 -0.39 -0.30 0.00 0.00 0.00 0.00 54.97 54.98 2kwq s GLU 827 Cb -0.41 -0.77 -0.09 0.00 2.00 0.00 0.00 34.13 34.87 2kwq s GLU 827 CO 0.49 0.21 1.24 0.50 -0.56 0.00 0.00 175.26 177.14 2kwq s ARG 828 N -0.33 4.45 0.37 4.30 3.52 -1.26 -0.70 118.95 129.30 2kwq s ARG 828 Ca 0.03 1.99 0.04 0.00 -0.13 0.00 0.00 55.73 57.67 2kwq s ARG 828 Cb -0.04 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2kwq s ARG 828 CO -0.00 -0.12 0.14 0.14 -0.81 0.00 0.00 175.30 174.65 2kwq s VAL 829 N -0.39 0.54 0.29 7.11 -7.23 0.02 -4.86 120.40 115.88 2kwq s VAL 829 Ca 0.52 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 2kwq s VAL 829 Cb -0.35 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.22 2kwq s VAL 829 CO 0.41 0.00 0.36 0.61 -0.31 0.00 0.00 175.10 176.17 2kwq n GLY 830 N -0.79 -1.53 3.76 2.32 0.00 -1.26 -4.38 105.19 103.31 2kwq n GLY 830 Ca -0.03 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 2kwq n GLY 830 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kwq s MET 831 N -3.80 3.36 0.04 1.61 1.75 -1.26 -4.79 119.30 116.22 2kwq s MET 831 Ca 0.21 1.86 -0.31 0.00 -1.25 0.00 0.00 55.69 56.21 2kwq s MET 831 Cb -0.01 -2.19 -0.06 0.00 2.84 0.00 0.00 34.83 35.41 2kwq s MET 831 CO 0.15 -0.90 1.39 -0.51 -0.65 0.00 0.00 175.02 174.50 2kwq s LEU 832 N -3.52 4.34 0.00 4.11 1.02 -1.26 -4.94 118.68 118.43 2kwq s LEU 832 Ca 0.70 2.18 0.28 0.00 0.02 0.00 0.00 54.13 57.31 2kwq s LEU 832 Cb -0.31 -3.57 0.97 0.00 0.02 0.00 0.00 46.19 43.30 2kwq s LEU 832 CO 0.36 -0.68 1.70 2.29 0.02 0.00 0.00 176.35 180.04 2kwq n LYS 833 N 4.83 1.69 -3.54 1.70 2.85 -1.26 -4.93 118.16 119.50 2kwq n LYS 833 Ca 0.12 -1.03 -0.13 0.00 -1.05 0.00 0.00 58.31 56.22 2kwq n LYS 833 Cb 0.43 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2kwq s GLU 834 N -2.01 0.81 0.56 -1.58 -1.05 -1.26 -5.06 118.70 109.10 2kwq s GLU 834 Ca 0.37 0.13 0.34 0.00 -0.15 0.00 0.00 54.97 55.66 2kwq s GLU 834 Cb 0.21 0.38 1.56 0.00 -0.44 0.00 0.00 34.13 35.84 2kwq s GLU 834 CO 0.34 -0.27 2.07 0.87 0.95 0.00 0.00 175.26 179.22 2kwq h LYS 835 N 2.66 0.00 0.00 -4.83 6.56 -2.05 -1.23 116.57 117.68 2kwq h LYS 835 Ca -0.22 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.32 2kwq h LYS 835 Cb 1.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 2kwq h LYS 835 CO 0.34 0.05 -0.24 1.15 -2.06 0.00 0.00 179.45 178.69 2kwq h THR 836 N 0.00 0.59 -0.55 -0.16 2.02 -2.01 -3.50 112.91 109.29 2kwq h THR 836 Ca -0.00 -1.19 0.07 0.00 0.77 0.00 0.00 66.41 66.06 2kwq h THR 836 Cb 0.40 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2kwq h THR 836 CO 0.01 0.24 -0.10 0.61 0.37 0.00 0.00 175.52 176.65 2kwq n GLY 837 N 0.20 -1.45 3.66 2.16 0.00 -0.47 -4.92 105.19 104.37 2kwq n GLY 837 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.70 0.77 -3.68 1.61 -0.02 -1.26 -4.86 135.00 125.86 2kwq n PRO 838 Ca 0.00 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2kwq n PRO 838 Cb 0.11 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2kwq n PRO 838 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2kwq s LYS 839 N -3.28 0.93 0.35 -0.52 -2.85 -1.26 -4.96 119.74 108.14 2kwq s LYS 839 Ca 0.77 -0.49 0.25 0.00 -1.00 0.00 0.00 55.97 55.50 2kwq s LYS 839 Cb -0.37 0.41 0.62 0.00 -2.06 0.00 0.00 37.83 36.43 2kwq s LYS 839 CO 0.46 -0.32 1.70 -0.07 0.10 0.00 0.00 175.35 177.22 2kwq h LEU 840 N 2.90 0.00 0.00 2.77 3.38 -1.96 -3.48 115.31 118.91 2kwq h LEU 840 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2kwq h LEU 840 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kwq h LEU 840 CO 0.45 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2kwq n GLY 841 N 1.06 0.63 0.00 0.83 0.00 -1.26 -5.24 105.19 101.21 2kwq n GLY 841 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93