#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 1.90 0.17 1.61 0.04 -1.26 -5.10 135.00 132.36 2kwq s PRO -3 Ca 0.00 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 2kwq s PRO -3 Cb 0.00 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2kwq s PRO -3 CO 0.00 -1.77 0.57 0.00 0.04 0.00 0.00 177.00 175.84 2kwq s MET -2 N -5.07 1.30 -0.22 4.56 0.23 -1.26 -5.15 119.30 113.70 2kwq s MET -2 Ca 0.61 -0.60 -0.29 0.00 -1.03 0.00 0.00 55.69 54.39 2kwq s MET -2 Cb -0.16 0.56 -0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2kwq s MET -2 CO 0.55 -0.56 1.20 0.20 -2.03 0.00 0.00 175.02 174.38 2kwq s GLY -1 N -2.79 1.60 0.05 3.16 0.00 -1.26 -4.93 107.32 103.15 2kwq s GLY -1 Ca 0.03 0.28 0.12 0.00 0.00 0.00 0.00 44.72 45.14 2kwq s GLY -1 CO -0.10 2.42 1.37 1.15 0.00 0.00 0.00 173.10 177.94 2kwq n MET 755 N 6.70 0.03 0.27 2.90 0.00 -1.26 -1.87 117.12 123.89 2kwq n MET 755 Ca 0.13 0.36 0.17 0.00 0.00 0.00 0.00 57.70 58.36 2kwq n MET 755 Cb 0.46 -1.57 0.63 0.00 0.00 0.00 0.00 33.22 32.74 2kwq n MET 755 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2kwq h GLN 756 N 0.00 0.00 -5.67 3.17 5.75 -2.05 -3.42 115.11 112.88 2kwq h GLN 756 Ca 0.00 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.89 2kwq h GLN 756 Cb 0.18 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 2kwq h GLN 756 CO 0.00 0.00 -0.32 0.45 -2.65 0.00 0.00 178.83 176.31 2kwq s SER 757 N -5.73 6.53 0.01 -0.69 0.15 -0.78 -5.10 113.70 108.09 2kwq s SER 757 Ca 0.02 0.63 -0.09 0.00 0.70 0.00 0.00 55.95 57.21 2kwq s SER 757 Cb 0.09 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2kwq s SER 757 CO 0.55 0.23 0.18 -0.63 1.20 0.00 0.00 173.24 174.77 2kwq s ILE 758 N -0.28 0.09 0.00 6.45 1.09 -1.26 -4.94 121.20 122.35 2kwq s ILE 758 Ca 0.18 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2kwq s ILE 758 Cb -0.14 -0.63 0.00 0.00 -1.06 0.00 0.00 42.46 40.63 2kwq s ILE 758 CO 0.07 -0.41 0.82 -2.11 -0.10 0.00 0.00 174.94 173.21 2kwq n ARG 759 N 1.16 0.55 -3.63 2.79 1.85 -1.26 -4.61 116.66 113.50 2kwq n ARG 759 Ca -0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.52 2kwq n ARG 759 Cb 0.57 -1.22 -0.07 0.00 -1.05 0.00 0.00 32.46 30.68 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 0.67 0.71 0.05 2.89 -1.05 -1.24 -0.87 118.70 119.85 2kwq s GLU 760 Ca 0.00 0.82 0.09 0.00 -0.15 0.00 0.00 54.97 55.73 2kwq s GLU 760 Cb 0.00 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 2kwq s GLU 760 CO 0.00 -0.09 -0.24 1.14 0.95 0.00 0.00 175.26 177.02 2kwq s GLN 761 N 0.27 1.84 0.50 -4.83 -2.07 -1.26 -4.98 119.66 109.13 2kwq s GLN 761 Ca 0.01 -1.10 -0.19 0.00 -1.82 0.00 0.00 55.36 52.27 2kwq s GLN 761 Cb -0.05 -2.03 -0.08 0.00 -1.09 0.00 0.00 33.01 29.76 2kwq s GLN 761 CO -0.02 0.51 1.02 -1.54 -1.32 0.00 0.00 175.29 173.95 2kwq s SER 762 N -1.37 6.39 0.36 12.60 1.04 -1.26 -2.97 113.70 128.50 2kwq s SER 762 Ca 0.13 1.80 -0.14 0.00 0.48 0.00 0.00 55.95 58.23 2kwq s SER 762 Cb -0.10 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.51 2kwq s SER 762 CO 0.03 -0.74 0.71 0.00 0.98 0.00 0.00 173.24 174.22 2kwq s ARG 764 N -2.71 4.03 0.14 0.00 3.52 -1.26 -1.56 118.95 121.11 2kwq s ARG 764 Ca 0.18 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2kwq s ARG 764 Cb -0.04 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 2kwq s ARG 764 CO 0.13 0.58 -0.02 0.14 -0.81 0.00 0.00 175.30 175.31 2kwq s VAL 765 N -1.26 0.64 0.06 7.11 -7.23 0.95 -4.81 120.40 115.85 2kwq s VAL 765 Ca 0.32 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2kwq s VAL 765 Cb -0.17 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2kwq s VAL 765 CO 0.18 -0.64 -0.15 0.54 -0.31 0.00 0.00 175.10 174.73 2kwq s VAL 766 N -3.67 1.15 -0.19 1.32 0.11 0.48 -1.42 120.40 118.16 2kwq s VAL 766 Ca 0.19 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2kwq s VAL 766 Cb 0.06 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2kwq s VAL 766 CO 0.00 -0.10 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.64 2kwq s THR 767 N -1.06 1.87 -0.08 5.04 2.01 0.00 -0.64 115.64 122.78 2kwq s THR 767 Ca 0.00 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 2kwq s THR 767 Cb -0.09 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2kwq s THR 767 CO 0.02 0.31 1.50 0.00 -0.69 0.00 0.00 174.62 175.76 2kwq h LYS 769 N 8.87 0.00 -0.02 0.00 1.79 -1.14 -0.77 116.57 125.30 2kwq h LYS 769 Ca -0.35 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.05 2kwq h LYS 769 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2kwq h LYS 769 CO 0.95 0.16 -0.26 1.15 -1.08 0.00 0.00 179.45 180.37 2kwq h THR 770 N 0.00 1.50 0.00 -0.16 2.02 -1.92 -3.36 112.91 111.00 2kwq h THR 770 Ca -0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2kwq h THR 770 Cb 1.12 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2kwq h THR 770 CO 0.02 0.51 -1.46 0.00 0.37 0.00 0.00 175.52 174.96 2kwq n LYS 772 N -2.02 -0.50 -3.69 0.00 4.01 -0.30 -5.06 118.16 110.60 2kwq n LYS 772 Ca -0.00 0.71 -0.26 0.00 -0.51 0.00 0.00 58.31 58.25 2kwq n LYS 772 Cb 0.48 -4.52 -0.03 0.00 -0.51 0.00 0.00 35.03 30.45 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 -2.27 3.48 -0.02 2.13 -0.85 -1.22 -4.94 117.35 113.66 2kwq s TYR 773 Ca 0.00 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2kwq s TYR 773 Cb 0.00 -1.80 -0.03 0.00 0.38 0.00 0.00 41.96 40.50 2kwq s TYR 773 CO 0.00 0.35 -0.09 0.99 -1.52 0.00 0.00 175.55 175.27 2kwq s THR 774 N -1.97 3.47 0.26 -3.49 2.01 -1.26 -1.62 115.64 113.04 2kwq s THR 774 Ca 0.38 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 2kwq s THR 774 Cb -0.10 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 69.98 2kwq s THR 774 CO 0.30 0.47 0.69 -2.28 -0.69 0.00 0.00 174.62 173.12 2kwq s HIS 775 N -0.90 -0.21 0.24 4.92 5.04 0.19 -5.00 115.29 119.58 2kwq s HIS 775 Ca 0.15 -0.22 0.05 0.00 -1.54 0.00 0.00 55.06 53.50 2kwq s HIS 775 Cb -0.11 0.67 0.25 0.00 0.04 0.00 0.00 32.58 33.43 2kwq s HIS 775 CO 0.05 -1.18 1.56 0.74 -2.34 0.00 0.00 174.74 173.57 2kwq h PHE 776 N 2.01 0.26 -2.29 3.88 0.04 -1.88 0.14 116.94 119.10 2kwq h PHE 776 Ca -0.21 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 2kwq h PHE 776 Cb 1.26 -0.04 -0.17 0.00 2.20 0.00 0.00 35.95 39.19 2kwq h PHE 776 CO 0.40 0.77 0.29 -1.59 -0.60 0.00 0.00 178.31 177.58 2kwq s LYS 777 N -3.71 1.03 0.53 1.51 0.00 -1.26 -4.38 119.74 113.46 2kwq s LYS 777 Ca -0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 55.97 55.69 2kwq s LYS 777 Cb 0.12 0.48 -0.06 0.00 0.00 0.00 0.00 37.83 38.37 2kwq s LYS 777 CO 0.79 -0.38 1.05 -1.25 0.00 0.00 0.00 175.35 175.56 2kwq s PRO 778 N -2.23 3.59 0.82 1.78 0.04 -1.26 -4.98 135.00 132.77 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 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2kwq s PRO 778 CO -0.01 -0.60 1.09 0.15 0.04 0.00 0.00 177.00 177.68 2kwq s LYS 779 N -3.59 1.87 0.32 4.56 1.02 -1.26 -4.82 119.74 117.84 2kwq s LYS 779 Ca 0.66 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.69 2kwq s LYS 779 Cb -0.16 -1.86 0.52 0.00 -0.52 0.00 0.00 37.83 35.80 2kwq s LYS 779 CO 0.27 -1.88 1.93 0.93 -0.92 0.00 0.00 175.35 175.68 2kwq h GLU 780 N -1.29 0.86 -0.50 1.68 5.08 -1.99 -0.54 114.58 117.88 2kwq h GLU 780 Ca -0.46 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2kwq h GLU 780 Cb 1.25 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2kwq h GLU 780 CO 0.53 0.65 0.17 1.79 -1.00 0.00 0.00 179.01 181.14 2kwq h THR 781 N 0.86 1.23 -0.69 1.13 1.35 -1.98 0.06 112.91 114.87 2kwq h THR 781 Ca 0.22 -0.75 -0.08 0.00 -0.55 0.00 0.00 66.41 65.25 2kwq h THR 781 Cb 0.06 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.22 2kwq h THR 781 CO -0.03 0.28 0.13 0.00 -0.25 0.00 0.00 175.52 175.64 2kwq h VAL 783 N 1.05 1.31 -0.28 0.00 2.07 -1.08 -0.63 116.25 118.70 2kwq h VAL 783 Ca 0.21 -1.66 -0.13 0.00 0.82 0.00 0.00 66.70 65.94 2kwq h VAL 783 Cb 0.42 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2kwq h VAL 783 CO 0.01 0.53 -0.34 -1.28 0.02 0.00 0.00 177.57 176.51 2kwq h SER 784 N 0.43 0.78 0.81 0.57 0.87 -0.84 -2.83 113.55 113.33 2kwq h SER 784 Ca 0.01 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kwq h SER 784 Cb 1.06 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2kwq h SER 784 CO 0.10 1.12 0.00 -0.62 -0.53 0.00 0.00 176.83 176.90 2kwq n GLU 785 N -4.22 0.03 -3.45 2.24 1.02 -0.01 -4.95 120.64 111.29 2kwq n GLU 785 Ca -0.04 0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 2kwq n GLU 785 Cb 0.50 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.48 -2.86 -4.67 1.62 3.02 -0.89 -5.01 115.26 105.00 2kwq n ASN 786 Ca 0.06 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.60 2kwq n ASN 786 Cb 0.28 -4.92 0.14 0.00 -0.61 0.00 0.00 39.78 34.67 2kwq n ASN 786 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2kwq n HIS 787 N -3.98 0.97 -2.99 3.10 8.25 -0.29 -5.02 115.22 115.25 2kwq n HIS 787 Ca -0.24 0.40 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 2kwq n HIS 787 Cb 0.66 -2.05 -0.06 0.00 1.12 0.00 0.00 29.99 29.66 2kwq n HIS 787 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kwq s ASP 788 N -2.28 7.31 0.02 0.41 2.15 -1.26 -4.95 116.67 118.07 2kwq s ASP 788 Ca 0.70 1.56 0.00 0.00 0.43 0.00 0.00 52.55 55.24 2kwq s ASP 788 Cb -0.27 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 2kwq s ASP 788 CO 0.54 0.14 -0.03 0.72 -0.17 0.00 0.00 175.17 176.37 2kwq s PHE 789 N -0.72 0.23 -0.24 -5.34 -0.12 -1.26 -0.55 117.98 109.98 2kwq s PHE 789 Ca 0.37 -0.43 -0.08 0.00 -0.05 0.00 0.00 56.93 56.73 2kwq s PHE 789 Cb -0.22 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2kwq s PHE 789 CO 0.25 -0.15 0.10 -1.01 -0.05 0.00 0.00 175.22 174.36 2kwq s HIS 790 N -1.18 3.17 0.13 3.49 3.76 -0.07 -4.93 115.29 119.66 2kwq s HIS 790 Ca -0.13 -0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 2kwq s HIS 790 Cb -0.08 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 2kwq s HIS 790 CO -0.01 -0.15 0.35 -1.58 -0.85 0.00 0.00 174.74 172.51 2kwq s TRP 791 N 1.26 3.48 0.32 1.40 0.52 -1.26 -0.82 118.94 123.85 2kwq s TRP 791 Ca 0.05 0.52 -0.18 0.00 0.02 0.00 0.00 56.10 56.51 2kwq s TRP 791 Cb -0.14 -1.98 0.06 0.00 -1.15 0.00 0.00 33.47 30.26 2kwq s TRP 791 CO 0.04 0.46 0.84 -3.38 0.02 0.00 0.00 176.95 174.93 2kwq s HIS 792 N -1.63 0.07 0.26 -1.98 -3.43 -0.51 -5.01 115.29 103.06 2kwq s HIS 792 Ca 0.40 -0.65 -0.03 0.00 -0.80 0.00 0.00 55.06 53.98 2kwq s HIS 792 Cb -0.12 0.79 -0.05 0.00 -1.43 0.00 0.00 32.58 31.77 2kwq s HIS 792 CO 0.25 -1.37 0.49 -0.80 -2.00 0.00 0.00 174.74 171.30 2kwq s ASN 793 N -3.12 6.41 0.24 7.38 -0.87 -1.26 -0.04 114.94 123.69 2kwq s ASN 793 Ca 0.16 0.57 -0.08 0.00 -1.57 0.00 0.00 52.86 51.94 2kwq s ASN 793 Cb -0.05 -2.08 0.03 0.00 -0.02 0.00 0.00 41.25 39.14 2kwq s ASN 793 CO 0.09 -0.14 0.47 0.61 -2.57 0.00 0.00 177.10 175.56 2kwq n GLY 794 N -0.88 1.53 3.01 0.66 0.00 -0.60 -4.83 105.19 104.07 2kwq n GLY 794 Ca -0.03 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.47 1.31 0.22 1.61 1.01 -1.26 -1.33 120.40 119.48 2kwq s VAL 795 Ca 0.11 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2kwq s VAL 795 Cb -0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 2kwq s VAL 795 CO 0.08 0.41 0.85 -1.59 0.00 0.00 0.00 175.10 174.85 2kwq s LYS 796 N 1.14 4.63 -0.11 2.72 -2.85 -1.16 -4.80 119.74 119.31 2kwq s LYS 796 Ca -0.04 1.26 -0.00 0.00 -1.00 0.00 0.00 55.97 56.18 2kwq s LYS 796 Cb -0.14 -3.16 -0.03 0.00 -2.06 0.00 0.00 37.83 32.45 2kwq s LYS 796 CO -0.03 0.49 -0.08 1.03 0.10 0.00 0.00 175.35 176.86 2kwq s ARG 797 N -1.39 3.15 -0.08 1.78 1.81 0.32 -4.18 118.95 120.36 2kwq s ARG 797 Ca 0.40 -0.58 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 2kwq s ARG 797 Cb -0.23 -2.68 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 2kwq s ARG 797 CO 0.27 0.43 0.14 -0.06 -0.68 0.00 0.00 175.30 175.40 2kwq s PHE 798 N -0.19 3.55 0.08 -0.53 0.08 -1.26 -1.45 117.98 118.27 2kwq s PHE 798 Ca 0.02 0.45 0.03 0.00 0.12 0.00 0.00 56.93 57.55 2kwq s PHE 798 Cb -0.13 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2kwq s PHE 798 CO 0.03 0.69 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.70 2kwq s PHE 799 N -1.11 0.91 0.01 0.36 0.40 -0.25 -0.77 117.98 117.53 2kwq s PHE 799 Ca 0.18 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 2kwq s PHE 799 Cb -0.12 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2kwq s PHE 799 CO 0.08 -0.06 -0.03 0.21 0.70 0.00 0.00 175.22 176.12 2kwq s LYS 800 N -2.74 0.22 0.02 0.44 2.20 -0.27 -2.22 119.74 117.39 2kwq s LYS 800 Ca 0.03 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 2kwq s LYS 800 Cb -0.03 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 2kwq s LYS 800 CO -0.01 0.03 0.19 0.00 -0.36 0.00 0.00 175.35 175.20 2kwq h PRO 802 N 3.51 0.00 0.00 0.00 0.13 -1.88 -0.95 132.00 132.81 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 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 2kwq n GLY 804 N 0.92 0.54 3.74 0.00 0.00 -0.36 -5.12 105.19 104.91 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 -1.99 4.51 0.13 1.61 2.47 -1.25 -4.81 114.94 115.61 2kwq s ASN 805 Ca 0.00 2.18 0.05 0.00 0.42 0.00 0.00 52.86 55.50 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 -2.04 -0.11 -0.13 -3.72 0.00 0.00 177.10 171.10 2kwq s ARG 806 N -4.07 1.01 0.31 0.43 1.81 -1.26 -1.05 118.95 116.13 2kwq s ARG 806 Ca 0.70 -1.34 -0.19 0.00 -1.72 0.00 0.00 55.73 53.18 2kwq s ARG 806 Cb -0.25 -0.66 0.04 0.00 -0.45 0.00 0.00 34.95 33.63 2kwq s ARG 806 CO 0.45 0.10 0.76 -0.08 -0.68 0.00 0.00 175.30 175.85 2kwq s THR 807 N -2.89 0.00 0.00 0.02 -1.32 -0.94 -4.99 115.64 105.52 2kwq s THR 807 Ca 0.13 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 2kwq s THR 807 Cb -0.00 -2.35 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 2kwq s THR 807 CO 0.01 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.77 2kwq s ILE 808 N -3.25 0.11 0.09 5.08 1.01 -1.26 -1.09 121.20 121.88 2kwq s ILE 808 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 2kwq s ILE 808 Cb -0.05 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 2kwq s ILE 808 CO 0.08 -0.09 0.11 -0.55 0.00 0.00 0.00 174.94 174.49 2kwq s SER 809 N -0.36 0.27 0.15 3.58 0.15 -0.53 -4.99 113.70 111.97 2kwq s SER 809 Ca -0.03 -0.86 0.25 0.00 0.70 0.00 0.00 55.95 56.01 2kwq s SER 809 Cb -0.03 0.30 0.56 0.00 -1.71 0.00 0.00 66.02 65.14 2kwq s SER 809 CO -0.00 -0.70 1.53 0.18 1.20 0.00 0.00 173.24 175.44 2kwq n LEU 810 N -0.02 0.72 -4.95 3.45 4.77 -1.26 -0.52 117.00 119.19 2kwq n LEU 810 Ca -0.13 0.37 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 2kwq n LEU 810 Cb 0.62 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2kwq n LEU 810 CO 0.26 -0.10 0.38 -1.81 -1.33 0.00 0.00 177.39 174.78 2kwq s ASP 811 N -4.27 5.59 0.32 -1.43 1.01 -1.26 -4.85 116.67 111.77 2kwq s ASP 811 Ca 0.08 0.31 0.23 0.00 0.71 0.00 0.00 52.55 53.89 2kwq s ASP 811 Cb 0.13 -1.38 1.15 0.00 1.01 0.00 0.00 42.92 43.83 2kwq s ASP 811 CO 0.66 -0.94 1.70 -2.11 0.21 0.00 0.00 175.17 174.70 2kwq n ARG 812 N -2.30 0.16 -3.63 8.23 1.85 -1.26 -4.68 116.66 115.04 2kwq n ARG 812 Ca 0.04 0.58 -0.12 0.00 -1.00 0.00 0.00 57.85 57.35 2kwq n ARG 812 Cb 0.58 -1.95 -0.07 0.00 -1.05 0.00 0.00 32.46 29.97 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 -4.57 -0.68 0.60 2.89 2.96 -1.26 -4.93 118.68 113.68 2kwq s LEU 813 Ca -0.00 1.29 -0.16 0.00 -0.22 0.00 0.00 54.13 55.03 2kwq s LEU 813 Cb 0.07 2.30 -0.03 0.00 0.50 0.00 0.00 46.19 49.03 2kwq s LEU 813 CO 0.27 -0.22 1.08 -2.16 -1.32 0.00 0.00 176.35 173.99 2kwq s PRO 814 N 0.45 3.21 0.12 0.98 0.04 -1.26 -5.00 135.00 133.54 2kwq s PRO 814 Ca -0.00 1.31 0.21 0.00 0.04 0.00 0.00 61.00 62.56 2kwq s PRO 814 Cb -0.05 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2kwq s PRO 814 CO -0.03 -0.91 0.87 0.36 0.04 0.00 0.00 177.00 177.33 2kwq n LYS 815 N -1.98 0.62 -2.76 4.56 0.00 -1.26 -4.98 118.16 112.36 2kwq n LYS 815 Ca 0.10 0.08 -0.35 0.00 -0.00 0.00 0.00 58.31 58.14 2kwq n LYS 815 Cb 0.52 -1.76 -0.06 0.00 -0.00 0.00 0.00 35.03 33.73 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 -3.29 4.30 0.68 -1.58 0.00 -1.26 -5.08 119.74 113.51 2kwq s LYS 816 Ca -0.03 1.24 -0.11 0.00 0.00 0.00 0.00 55.97 57.08 2kwq s LYS 816 Cb 0.10 -2.40 0.01 0.00 0.00 0.00 0.00 37.83 35.54 2kwq s LYS 816 CO 0.82 0.03 1.07 -1.01 0.00 0.00 0.00 175.35 176.25 2kwq s HIS 817 N -1.94 3.35 0.37 1.78 3.76 -1.26 -4.96 115.29 116.38 2kwq s HIS 817 Ca 0.58 1.02 -0.28 0.00 -0.15 0.00 0.00 55.06 56.23 2kwq s HIS 817 Cb -0.14 -2.99 -0.11 0.00 1.11 0.00 0.00 32.58 30.45 2kwq s HIS 817 CO 0.18 -1.08 1.45 0.00 -0.85 0.00 0.00 174.74 174.44 2kwq n SER 819 N 0.54 0.49 -0.12 0.00 7.64 -1.26 -2.88 113.62 118.03 2kwq n SER 819 Ca 0.01 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.79 2kwq n SER 819 Cb 0.40 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 2kwq n SER 819 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kwq n THR 820 N -1.74 1.32 0.00 0.44 -1.04 -1.26 -4.81 114.28 107.19 2kwq n THR 820 Ca 0.05 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 2kwq n THR 820 Cb 0.38 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 1.13 0.80 0.75 0.00 0.00 -1.14 -5.03 105.19 101.71 2kwq n GLY 822 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.46 117.00 108.50 2kwq n LEU 823 Ca 0.00 -0.38 -0.30 0.00 -0.00 0.00 0.00 56.01 55.33 2kwq n LEU 823 Cb 0.00 -0.14 -0.14 0.00 -0.00 0.00 0.00 43.42 43.14 2kwq n LEU 823 CO 0.00 -0.61 -0.30 0.12 -0.00 0.00 0.00 177.39 176.60 2kwq s PHE 824 N -0.66 2.11 -0.04 1.47 5.36 -1.26 -0.98 117.98 123.98 2kwq s PHE 824 Ca 0.13 -2.18 0.23 0.00 -0.96 0.00 0.00 56.93 54.16 2kwq s PHE 824 Cb -0.01 -1.96 0.41 0.00 -0.34 0.00 0.00 43.02 41.12 2kwq s PHE 824 CO 0.09 -0.85 1.15 1.63 -1.46 0.00 0.00 175.22 175.78 2kwq n LYS 825 N 4.28 0.26 -1.73 10.12 4.76 -1.26 -5.09 118.16 129.50 2kwq n LYS 825 Ca 0.03 -2.12 -0.42 0.00 -2.87 0.00 0.00 58.31 52.92 2kwq n LYS 825 Cb 0.39 -0.18 -0.02 0.00 -1.84 0.00 0.00 35.03 33.38 2kwq n LYS 825 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2kwq n TRP 826 N 0.28 2.74 -5.27 2.13 7.02 -1.26 -4.42 117.44 118.66 2kwq n TRP 826 Ca 0.03 0.25 -0.31 0.00 -1.02 0.00 0.00 57.50 56.44 2kwq n TRP 826 Cb 1.06 -2.59 -0.16 0.00 -2.42 0.00 0.00 31.31 27.20 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 -0.22 2.50 0.11 -0.99 2.56 -0.00 -4.95 118.70 117.71 2kwq s GLU 827 Ca 0.66 -0.91 -0.31 0.00 0.00 0.00 0.00 54.97 54.42 2kwq s GLU 827 Cb -0.52 -2.15 -0.07 0.00 2.00 0.00 0.00 34.13 33.38 2kwq s GLU 827 CO 0.46 0.40 1.28 0.50 -0.56 0.00 0.00 175.26 177.35 2kwq s ARG 828 N -0.22 4.39 0.27 4.30 3.52 -1.26 -1.12 118.95 128.84 2kwq s ARG 828 Ca -0.02 1.93 0.02 0.00 -0.13 0.00 0.00 55.73 57.53 2kwq s ARG 828 Cb -0.13 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 2kwq s ARG 828 CO 0.03 -0.30 0.08 0.14 -0.81 0.00 0.00 175.30 174.44 2kwq s VAL 829 N 0.82 0.74 0.28 7.11 -7.23 0.05 -4.93 120.40 117.24 2kwq s VAL 829 Ca 0.60 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 2kwq s VAL 829 Cb -0.33 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 2kwq s VAL 829 CO 0.32 -0.03 0.27 -0.83 -0.31 0.00 0.00 175.10 174.52 2kwq s GLY 830 N -3.35 1.49 -0.17 2.32 0.00 -1.26 -4.02 107.32 102.32 2kwq s GLY 830 Ca 0.37 -1.45 -0.24 0.00 0.00 0.00 0.00 44.72 43.40 2kwq s GLY 830 CO 0.14 -1.45 0.62 -0.29 0.00 0.00 0.00 173.10 172.12 2kwq s MET 831 N -3.93 0.83 0.02 2.90 0.00 -0.05 -5.04 119.30 114.02 2kwq s MET 831 Ca 0.36 0.62 -0.29 0.00 0.00 0.00 0.00 55.69 56.39 2kwq s MET 831 Cb -0.08 0.40 0.10 0.00 0.00 0.00 0.00 34.83 35.25 2kwq s MET 831 CO 0.27 -0.16 1.04 -1.17 0.00 0.00 0.00 175.02 174.99 2kwq s LEU 832 N -0.23 -0.20 0.00 4.11 2.96 -1.26 -3.71 118.68 120.34 2kwq s LEU 832 Ca -0.04 -0.17 0.31 0.00 -0.22 0.00 0.00 54.13 54.00 2kwq s LEU 832 Cb -0.03 1.85 1.63 0.00 0.50 0.00 0.00 46.19 50.14 2kwq s LEU 832 CO 0.04 -0.60 2.07 0.29 -1.32 0.00 0.00 176.35 176.83 2kwq n LYS 833 N -0.35 1.16 -4.09 1.98 4.76 -1.26 -4.85 118.16 115.51 2kwq n LYS 833 Ca -0.06 -0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 54.99 2kwq n LYS 833 Cb 0.61 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.20 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kwq s GLU 834 N -2.03 0.61 0.59 1.97 0.41 -1.26 -5.17 118.70 113.82 2kwq s GLU 834 Ca 0.44 -1.04 -0.18 0.00 -0.41 0.00 0.00 54.97 53.79 2kwq s GLU 834 Cb 0.22 -0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.47 2kwq s GLU 834 CO 0.37 -0.03 1.12 -1.59 -0.49 0.00 0.00 175.26 174.64 2kwq s LYS 835 N -2.89 3.13 0.19 1.61 -2.85 -1.26 -4.99 119.74 112.68 2kwq s LYS 835 Ca 0.00 1.53 -0.06 0.00 -1.00 0.00 0.00 55.97 56.44 2kwq s LYS 835 Cb -0.00 -1.98 0.10 0.00 -2.06 0.00 0.00 37.83 33.88 2kwq s LYS 835 CO -0.04 -1.01 1.56 1.15 0.10 0.00 0.00 175.35 177.11 2kwq h THR 836 N 0.73 1.28 -4.08 3.79 2.02 -1.99 -3.46 112.91 111.21 2kwq h THR 836 Ca -0.49 -1.49 -0.12 0.00 0.77 0.00 0.00 66.41 65.09 2kwq h THR 836 Cb 1.26 1.36 -0.14 0.00 -1.74 0.00 0.00 68.15 68.89 2kwq h THR 836 CO 0.56 0.49 -0.52 -0.83 0.37 0.00 0.00 175.52 175.58 2kwq s GLY 837 N -3.90 0.42 0.28 2.16 0.00 -1.26 -5.07 107.32 99.95 2kwq s GLY 837 Ca -0.09 -1.01 0.25 0.00 0.00 0.00 0.00 44.72 43.87 2kwq s GLY 837 CO 0.85 -1.09 1.75 -0.56 0.00 0.00 0.00 173.10 174.05 2kwq h PRO 838 N 2.90 0.00 0.00 2.90 0.13 -2.02 -3.01 132.00 132.89 2kwq h PRO 838 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 2kwq h PRO 838 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kwq h PRO 838 CO 0.59 0.00 -0.25 -0.22 -0.23 0.00 0.00 178.00 177.89 2kwq h LYS 839 N 0.00 0.00 -7.00 0.86 3.64 -2.00 -3.45 116.57 108.62 2kwq h LYS 839 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2kwq h LYS 839 Cb 0.45 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.33 2kwq h LYS 839 CO 0.00 0.25 0.48 -1.17 -2.27 0.00 0.00 179.45 176.74 2kwq s LEU 840 N -7.37 4.03 0.00 5.20 2.96 -1.14 -5.07 118.68 117.29 2kwq s LEU 840 Ca -0.02 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2kwq s LEU 840 Cb 0.12 -4.22 0.00 0.00 0.50 0.00 0.00 46.19 42.59 2kwq s LEU 840 CO 0.65 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 2kwq n GLY 841 N 0.45 1.02 0.00 7.98 0.00 -1.26 -5.05 105.19 108.33 2kwq n GLY 841 Ca 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93