#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 0.90 0.11 1.61 0.04 -1.26 -4.97 135.00 131.43 2kwq s PRO -3 Ca 0.00 0.26 0.20 0.00 0.04 0.00 0.00 61.00 61.50 2kwq s PRO -3 Cb 0.00 -1.81 0.82 0.00 0.04 0.00 0.00 34.50 33.55 2kwq s PRO -3 CO 0.00 -2.35 1.62 -1.33 0.04 0.00 0.00 177.00 174.97 2kwq n MET -2 N -3.87 0.09 -0.83 4.56 2.81 -1.26 -4.91 117.12 113.72 2kwq n MET -2 Ca 0.07 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2kwq n MET -2 Cb 0.59 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.21 0.58 0.21 3.03 0.00 -1.26 -4.96 105.19 102.99 2kwq n GLY -1 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2kwq n GLY -1 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2kwq h MET 755 N 1.39 0.00 -0.08 1.61 2.86 -2.04 -3.29 114.93 115.38 2kwq h MET 755 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2kwq h MET 755 Cb 0.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.67 2kwq h MET 755 CO 0.00 0.00 -0.53 0.37 1.06 0.00 0.00 176.91 177.81 2kwq h GLN 756 N 0.00 0.50 -3.20 1.72 4.15 -2.00 -3.46 115.11 112.81 2kwq h GLN 756 Ca 0.00 -0.43 -0.25 0.00 0.77 0.00 0.00 58.65 58.74 2kwq h GLN 756 Cb 0.67 0.10 -0.32 0.00 0.21 0.00 0.00 27.48 28.14 2kwq h GLN 756 CO 0.00 1.06 -0.60 -1.12 -1.93 0.00 0.00 178.83 176.25 2kwq s SER 757 N -6.70 0.03 0.00 -0.69 0.01 -1.24 -5.16 113.70 99.96 2kwq s SER 757 Ca -0.13 0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.50 2kwq s SER 757 Cb 0.05 0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2kwq s SER 757 CO 0.83 -0.17 -0.13 -0.63 0.41 0.00 0.00 173.24 173.55 2kwq s ILE 758 N 1.39 1.05 -1.38 1.44 1.09 -1.26 -4.92 121.20 118.60 2kwq s ILE 758 Ca -0.07 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 2kwq s ILE 758 Cb -0.12 -0.90 0.02 0.00 -1.06 0.00 0.00 42.46 40.40 2kwq s ILE 758 CO -0.06 0.20 0.72 -2.11 -0.10 0.00 0.00 174.94 173.59 2kwq n ARG 759 N 2.50 1.06 -3.91 2.79 1.85 -1.26 -4.66 116.66 115.03 2kwq n ARG 759 Ca -0.15 -0.06 -0.10 0.00 -1.00 0.00 0.00 57.85 56.53 2kwq n ARG 759 Cb 0.55 -1.32 -0.11 0.00 -1.05 0.00 0.00 32.46 30.54 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 -1.41 0.35 -0.02 2.89 -1.05 -1.25 -1.07 118.70 117.14 2kwq s GLU 760 Ca 0.01 -0.41 -0.17 0.00 -0.15 0.00 0.00 54.97 54.26 2kwq s GLU 760 Cb 0.01 0.14 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 2kwq s GLU 760 CO 0.00 -0.07 0.35 1.14 0.95 0.00 0.00 175.26 177.64 2kwq s GLN 761 N -1.19 0.71 0.13 -4.83 -2.07 -1.03 -4.97 119.66 106.41 2kwq s GLN 761 Ca -0.13 -0.14 -0.30 0.00 -1.82 0.00 0.00 55.36 52.97 2kwq s GLN 761 Cb -0.08 0.32 -0.06 0.00 -1.09 0.00 0.00 33.01 32.10 2kwq s GLN 761 CO 0.00 -0.20 1.00 -1.12 -1.32 0.00 0.00 175.29 173.66 2kwq s SER 762 N -1.31 7.43 0.16 12.60 0.01 -1.26 -1.45 113.70 129.89 2kwq s SER 762 Ca -0.13 1.89 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 2kwq s SER 762 Cb -0.05 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2kwq s SER 762 CO 0.05 -0.11 0.14 0.00 0.41 0.00 0.00 173.24 173.74 2kwq s ARG 764 N -4.07 4.60 0.21 0.00 3.52 -1.26 -1.11 118.95 120.84 2kwq s ARG 764 Ca 0.27 1.84 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 2kwq s ARG 764 Cb 0.06 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2kwq s ARG 764 CO 0.05 0.15 0.10 0.14 -0.81 0.00 0.00 175.30 174.92 2kwq s VAL 765 N -1.01 0.28 0.00 7.11 -7.23 0.12 -4.83 120.40 114.85 2kwq s VAL 765 Ca 0.46 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2kwq s VAL 765 Cb -0.32 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2kwq s VAL 765 CO 0.41 -0.11 -0.04 0.54 -0.31 0.00 0.00 175.10 175.60 2kwq s VAL 766 N -3.95 0.27 -0.24 1.32 0.11 0.68 -1.36 120.40 117.23 2kwq s VAL 766 Ca 0.35 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2kwq s VAL 766 Cb 0.07 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2kwq s VAL 766 CO 0.11 -0.02 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.93 2kwq s THR 767 N -0.33 3.21 -0.18 5.04 2.01 -0.08 -0.79 115.64 124.52 2kwq s THR 767 Ca -0.01 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2kwq s THR 767 Cb -0.03 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2kwq s THR 767 CO -0.00 0.27 1.19 0.00 -0.69 0.00 0.00 174.62 175.39 2kwq h LYS 769 N 7.95 0.00 0.03 0.00 1.79 -1.19 -0.70 116.57 124.45 2kwq h LYS 769 Ca -0.24 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.05 2kwq h LYS 769 Cb 1.09 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2kwq h LYS 769 CO 0.97 0.09 -0.71 1.15 -1.08 0.00 0.00 179.45 179.87 2kwq h THR 770 N 0.00 1.43 0.00 -0.16 2.02 -1.92 -3.37 112.91 110.90 2kwq h THR 770 Ca -0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 2kwq h THR 770 Cb 0.99 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2kwq h THR 770 CO 0.01 0.64 -1.75 0.00 0.37 0.00 0.00 175.52 174.80 2kwq n LYS 772 N -2.07 -0.57 -2.54 0.00 4.01 -0.27 -5.05 118.16 111.67 2kwq n LYS 772 Ca -0.02 0.69 -0.25 0.00 -0.51 0.00 0.00 58.31 58.21 2kwq n LYS 772 Cb 0.51 -4.54 0.03 0.00 -0.51 0.00 0.00 35.03 30.51 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 3.20 -0.04 2.13 -0.85 -1.22 -4.95 117.35 113.30 2kwq s TYR 773 Ca 0.00 0.49 0.05 0.00 -0.52 0.00 0.00 57.07 57.10 2kwq s TYR 773 Cb 0.00 -2.67 -0.01 0.00 0.38 0.00 0.00 41.96 39.67 2kwq s TYR 773 CO 0.00 -0.75 -0.20 0.99 -1.52 0.00 0.00 175.55 174.06 2kwq s THR 774 N -2.89 1.68 0.32 -3.49 2.01 -1.26 -2.29 115.64 109.72 2kwq s THR 774 Ca 0.53 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 2kwq s THR 774 Cb -0.10 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.00 2kwq s THR 774 CO 0.43 0.48 0.62 -2.28 -0.69 0.00 0.00 174.62 173.18 2kwq s HIS 775 N -0.10 0.32 0.05 4.92 5.04 0.03 -4.94 115.29 120.60 2kwq s HIS 775 Ca -0.02 -0.77 0.13 0.00 -1.54 0.00 0.00 55.06 52.86 2kwq s HIS 775 Cb -0.12 0.44 0.15 0.00 0.04 0.00 0.00 32.58 33.09 2kwq s HIS 775 CO 0.02 -1.25 1.48 0.74 -2.34 0.00 0.00 174.74 173.39 2kwq h PHE 776 N 2.09 0.00 -1.88 3.88 0.04 -1.88 0.19 116.94 119.39 2kwq h PHE 776 Ca -0.27 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.54 2kwq h PHE 776 Cb 1.25 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.20 2kwq h PHE 776 CO 0.93 0.64 0.41 -1.59 -0.60 0.00 0.00 178.31 178.10 2kwq s LYS 777 N -3.10 0.81 0.60 1.51 -2.85 -1.26 -4.41 119.74 111.03 2kwq s LYS 777 Ca 0.02 0.08 -0.15 0.00 -1.00 0.00 0.00 55.97 54.91 2kwq s LYS 777 Cb 0.10 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2kwq s LYS 777 CO 0.76 -0.28 1.05 -1.25 0.10 0.00 0.00 175.35 175.74 2kwq s PRO 778 N -1.58 3.32 0.78 1.78 0.04 -1.26 -4.98 135.00 133.10 2kwq s PRO 778 Ca -0.03 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2kwq s PRO 778 Cb -0.00 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.56 2kwq s PRO 778 CO 0.02 -0.81 1.09 0.15 0.04 0.00 0.00 177.00 177.50 2kwq s LYS 779 N -4.14 2.20 0.30 4.56 1.02 -1.26 -4.85 119.74 117.57 2kwq s LYS 779 Ca 0.63 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.81 2kwq s LYS 779 Cb -0.16 -1.89 0.51 0.00 -0.52 0.00 0.00 37.83 35.78 2kwq s LYS 779 CO 0.38 -1.69 1.93 0.93 -0.92 0.00 0.00 175.35 175.98 2kwq h GLU 780 N -1.15 1.01 -0.30 1.68 3.07 -1.99 -0.25 114.58 116.65 2kwq h GLU 780 Ca -0.44 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.22 2kwq h GLU 780 Cb 1.23 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 2kwq h GLU 780 CO 0.51 0.67 -0.39 1.79 -1.40 0.00 0.00 179.01 180.19 2kwq h THR 781 N 1.04 1.29 -0.55 1.13 1.35 -1.98 0.13 112.91 115.32 2kwq h THR 781 Ca 0.36 -1.56 -0.08 0.00 -0.55 0.00 0.00 66.41 64.58 2kwq h THR 781 Cb 0.10 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2kwq h THR 781 CO -0.12 0.50 0.02 0.00 -0.25 0.00 0.00 175.52 175.68 2kwq h VAL 783 N 0.83 1.30 -0.50 0.00 2.07 -1.04 -0.73 116.25 118.18 2kwq h VAL 783 Ca 0.16 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 2kwq h VAL 783 Cb 0.50 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2kwq h VAL 783 CO 0.02 0.45 -0.18 -1.28 0.02 0.00 0.00 177.57 176.60 2kwq h SER 784 N 0.42 1.03 0.75 0.57 0.87 -0.85 -2.64 113.55 113.70 2kwq h SER 784 Ca 0.05 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2kwq h SER 784 Cb 0.82 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2kwq h SER 784 CO 0.07 1.18 -0.01 -0.62 -0.53 0.00 0.00 176.83 176.92 2kwq n GLU 785 N -4.13 0.25 -3.45 2.24 1.02 -0.19 -4.96 120.64 111.42 2kwq n GLU 785 Ca 0.00 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2kwq n GLU 785 Cb 0.44 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.37 -2.11 -4.71 1.62 3.02 -0.88 -5.01 115.26 105.82 2kwq n ASN 786 Ca 0.11 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.68 2kwq n ASN 786 Cb 0.29 -5.05 0.10 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 -3.38 1.90 -0.05 3.10 3.76 -0.33 -5.01 115.29 115.28 2kwq s HIS 787 Ca 0.02 1.60 -0.25 0.00 -0.15 0.00 0.00 55.06 56.28 2kwq s HIS 787 Cb -0.01 -3.57 -0.04 0.00 1.11 0.00 0.00 32.58 30.08 2kwq s HIS 787 CO 0.74 -2.89 0.76 -0.51 -0.85 0.00 0.00 174.74 171.99 2kwq s ASP 788 N -1.86 7.08 0.05 1.40 1.01 -1.26 -4.93 116.67 118.15 2kwq s ASP 788 Ca 0.77 1.30 0.01 0.00 0.71 0.00 0.00 52.55 55.34 2kwq s ASP 788 Cb -0.32 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 2kwq s ASP 788 CO 0.46 -0.14 -0.06 0.72 0.21 0.00 0.00 175.17 176.36 2kwq s PHE 789 N 0.79 0.60 -0.10 4.23 -0.12 -1.26 -0.64 117.98 121.48 2kwq s PHE 789 Ca 0.40 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 2kwq s PHE 789 Cb -0.19 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.83 2kwq s PHE 789 CO 0.20 -0.14 -0.20 -1.01 -0.05 0.00 0.00 175.22 174.03 2kwq s HIS 790 N -1.88 2.64 0.05 3.49 3.76 -0.32 -4.97 115.29 118.05 2kwq s HIS 790 Ca -0.07 -0.86 -0.01 0.00 -0.15 0.00 0.00 55.06 53.97 2kwq s HIS 790 Cb -0.07 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 2kwq s HIS 790 CO -0.01 -0.31 0.21 -1.58 -0.85 0.00 0.00 174.74 172.19 2kwq s TRP 791 N 0.26 3.53 0.22 1.40 0.52 -1.26 -0.90 118.94 122.71 2kwq s TRP 791 Ca -0.14 0.28 -0.21 0.00 0.02 0.00 0.00 56.10 56.06 2kwq s TRP 791 Cb -0.17 -1.78 0.07 0.00 -1.15 0.00 0.00 33.47 30.44 2kwq s TRP 791 CO 0.07 0.60 1.00 -3.38 0.02 0.00 0.00 176.95 175.26 2kwq s HIS 792 N -1.47 0.10 0.11 -1.98 -3.43 -0.46 -5.00 115.29 103.15 2kwq s HIS 792 Ca 0.33 -0.56 -0.06 0.00 -0.80 0.00 0.00 55.06 53.97 2kwq s HIS 792 Cb -0.13 0.73 -0.06 0.00 -1.43 0.00 0.00 32.58 31.70 2kwq s HIS 792 CO 0.26 -1.05 0.37 1.21 -2.00 0.00 0.00 174.74 173.53 2kwq s ASN 793 N -3.41 6.53 0.17 7.38 3.84 -1.26 0.14 114.94 128.33 2kwq s ASN 793 Ca 0.22 0.64 -0.23 0.00 0.21 0.00 0.00 52.86 53.70 2kwq s ASN 793 Cb -0.03 -2.11 0.06 0.00 -0.55 0.00 0.00 41.25 38.61 2kwq s ASN 793 CO 0.07 0.11 0.69 -0.83 -2.79 0.00 0.00 177.10 174.35 2kwq s GLY 794 N -2.15 -0.42 -0.11 1.21 0.00 -0.27 -4.85 107.32 100.72 2kwq s GLY 794 Ca 0.37 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 2kwq s GLY 794 CO 0.22 0.10 0.36 0.14 0.00 0.00 0.00 173.10 173.91 2kwq s VAL 795 N -3.69 5.23 0.04 1.40 1.01 -1.26 -1.08 120.40 122.04 2kwq s VAL 795 Ca 0.05 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2kwq s VAL 795 Cb -0.02 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kwq s VAL 795 CO -0.06 0.42 0.12 -1.59 0.00 0.00 0.00 175.10 174.00 2kwq s LYS 796 N 0.11 3.14 0.05 2.72 -2.85 -0.53 -4.51 119.74 117.87 2kwq s LYS 796 Ca 0.20 -0.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.68 2kwq s LYS 796 Cb -0.14 -2.89 -0.02 0.00 -2.06 0.00 0.00 37.83 32.71 2kwq s LYS 796 CO 0.07 0.62 -0.10 -0.98 0.10 0.00 0.00 175.35 175.06 2kwq s ARG 797 N -2.16 0.63 0.11 1.78 3.03 -0.05 -2.48 118.95 119.81 2kwq s ARG 797 Ca 0.28 -0.79 0.05 0.00 2.03 0.00 0.00 55.73 57.30 2kwq s ARG 797 Cb -0.12 -0.49 -0.04 0.00 -1.03 0.00 0.00 34.95 33.26 2kwq s ARG 797 CO 0.21 0.10 0.02 -0.06 -1.13 0.00 0.00 175.30 174.43 2kwq s PHE 798 N -1.27 3.00 0.02 5.89 0.08 -1.21 -0.95 117.98 123.54 2kwq s PHE 798 Ca -0.06 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.96 2kwq s PHE 798 Cb -0.10 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2kwq s PHE 798 CO 0.01 0.49 -0.04 -0.06 -0.10 0.00 0.00 175.22 175.52 2kwq s PHE 799 N -1.41 0.32 -0.01 0.36 0.08 -0.17 -0.82 117.98 116.33 2kwq s PHE 799 Ca 0.27 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2kwq s PHE 799 Cb -0.11 -0.22 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2kwq s PHE 799 CO 0.19 -0.15 -0.11 0.21 -0.10 0.00 0.00 175.22 175.26 2kwq s LYS 800 N -1.34 0.93 0.03 0.44 2.20 -0.69 -1.82 119.74 119.49 2kwq s LYS 800 Ca -0.13 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2kwq s LYS 800 Cb -0.09 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.30 2kwq s LYS 800 CO -0.01 0.23 0.20 0.00 -0.36 0.00 0.00 175.35 175.41 2kwq h PRO 802 N 3.39 0.00 0.00 0.00 0.13 -1.88 -0.86 132.00 132.78 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 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2kwq n GLY 804 N 0.86 0.38 3.74 0.00 0.00 -0.33 -5.11 105.19 104.73 2kwq n GLY 804 Ca 0.05 0.00 -0.34 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 4.53 0.10 1.61 2.47 -1.25 -4.80 114.94 115.55 2kwq s ASN 805 Ca 0.00 2.29 0.06 0.00 0.42 0.00 0.00 52.86 55.63 2kwq s ASN 805 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 2kwq s ASN 805 CO 0.00 -2.03 -0.14 -0.13 -3.72 0.00 0.00 177.10 171.08 2kwq s ARG 806 N -3.85 0.96 0.34 0.43 1.81 -1.26 -1.07 118.95 116.30 2kwq s ARG 806 Ca 0.73 -1.15 -0.10 0.00 -1.72 0.00 0.00 55.73 53.49 2kwq s ARG 806 Cb -0.28 -0.89 0.04 0.00 -0.45 0.00 0.00 34.95 33.38 2kwq s ARG 806 CO 0.43 0.18 0.64 -2.37 -0.68 0.00 0.00 175.30 173.49 2kwq n THR 807 N 0.78 0.00 -4.03 0.02 5.66 -0.75 -5.01 114.28 110.95 2kwq n THR 807 Ca -0.17 -1.07 -0.12 0.00 -3.05 0.00 0.00 64.05 59.63 2kwq n THR 807 Cb 0.56 0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 70.13 2kwq n THR 807 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2kwq s ILE 808 N -2.35 0.33 0.08 1.09 1.01 -1.26 -1.00 121.20 119.09 2kwq s ILE 808 Ca 0.17 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2kwq s ILE 808 Cb -0.03 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 2kwq s ILE 808 CO 0.13 -0.26 -0.06 -0.55 0.00 0.00 0.00 174.94 174.19 2kwq s SER 809 N -1.04 0.95 0.29 3.58 0.15 -0.13 -4.91 113.70 112.59 2kwq s SER 809 Ca -0.08 -0.90 0.22 0.00 0.70 0.00 0.00 55.95 55.89 2kwq s SER 809 Cb -0.07 0.10 0.13 0.00 -1.71 0.00 0.00 66.02 64.47 2kwq s SER 809 CO -0.00 -0.43 1.28 -0.07 1.20 0.00 0.00 173.24 175.21 2kwq h LEU 810 N 3.34 0.00-10.49 3.45 3.38 -1.85 -0.10 115.31 113.04 2kwq h LEU 810 Ca -0.35 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.18 2kwq h LEU 810 Cb 1.17 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.97 2kwq h LEU 810 CO 0.60 0.08 -0.04 -0.62 0.09 0.00 0.00 178.44 178.55 2kwq s ASP 811 N -5.80 5.29 0.38 -0.43 2.15 -1.26 -4.80 116.67 112.19 2kwq s ASP 811 Ca 0.03 -0.00 0.23 0.00 0.43 0.00 0.00 52.55 53.23 2kwq s ASP 811 Cb 0.08 -0.89 1.26 0.00 -0.30 0.00 0.00 42.92 43.06 2kwq s ASP 811 CO 0.74 -1.13 1.69 0.08 -0.17 0.00 0.00 175.17 176.38 2kwq h ARG 812 N 0.08 0.00 -2.06 4.34 0.11 -1.99 -3.43 114.38 111.44 2kwq h ARG 812 Ca -0.42 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.61 2kwq h ARG 812 Cb 1.29 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.17 2kwq h ARG 812 CO 0.52 0.00 0.12 -1.17 0.10 0.00 0.00 179.97 179.54 2kwq s LEU 813 N -4.68 -0.63 0.87 0.08 2.96 -1.26 -4.94 118.68 111.08 2kwq s LEU 813 Ca -0.03 1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.99 2kwq s LEU 813 Cb 0.07 2.40 0.11 0.00 0.50 0.00 0.00 46.19 49.27 2kwq s LEU 813 CO 0.21 -0.33 1.09 -2.16 -1.32 0.00 0.00 176.35 173.84 2kwq s PRO 814 N -0.02 1.48 0.00 0.98 0.04 -1.26 -4.97 135.00 131.25 2kwq s PRO 814 Ca -0.03 0.81 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2kwq s PRO 814 Cb -0.04 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 2kwq s PRO 814 CO 0.03 -2.08 0.26 0.36 0.04 0.00 0.00 177.00 175.61 2kwq n LYS 815 N -3.77 4.94 0.07 4.56 2.85 -1.26 -4.88 118.16 120.67 2kwq n LYS 815 Ca 0.07 -0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 2kwq n LYS 815 Cb 0.55 -0.78 0.13 0.00 -0.65 0.00 0.00 35.03 34.28 2kwq n LYS 815 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2kwq h LYS 816 N 0.04 0.00 -1.63 -1.58 2.10 -1.99 -3.51 116.57 110.01 2kwq h LYS 816 Ca 0.00 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.82 2kwq h LYS 816 Cb 0.14 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.38 2kwq h LYS 816 CO 0.00 0.00 -0.56 0.72 -2.00 0.00 0.00 179.45 177.61 2kwq n HIS 817 N -2.26 -1.80 -2.06 0.07 8.25 -1.26 -4.93 115.22 111.23 2kwq n HIS 817 Ca 0.03 0.98 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 2kwq n HIS 817 Cb 0.47 -1.64 -0.02 0.00 1.12 0.00 0.00 29.99 29.91 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 2.18 0.20 -0.12 0.00 3.41 -1.26 -2.90 113.62 115.14 2kwq n SER 819 Ca 0.06 0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.59 2kwq n SER 819 Cb 0.41 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.44 1.29 0.00 6.66 -1.04 -1.26 -4.84 114.28 113.65 2kwq n THR 820 Ca 0.07 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2kwq n THR 820 Cb 0.33 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.57 1.20 0.67 0.00 0.00 -1.14 -5.03 105.19 102.46 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 -3.80 0.99 -0.00 -1.26 -4.43 117.00 108.51 2kwq n LEU 823 Ca 0.00 -0.29 -0.30 0.00 -0.00 0.00 0.00 56.01 55.42 2kwq n LEU 823 Cb 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 43.42 43.12 2kwq n LEU 823 CO 0.00 -0.64 -0.31 0.12 -0.00 0.00 0.00 177.39 176.56 2kwq s PHE 824 N -1.18 2.24 0.00 1.47 5.36 -1.26 -1.45 117.98 123.16 2kwq s PHE 824 Ca 0.13 -2.19 0.21 0.00 -0.96 0.00 0.00 56.93 54.12 2kwq s PHE 824 Cb -0.00 -2.04 0.35 0.00 -0.34 0.00 0.00 43.02 40.99 2kwq s PHE 824 CO 0.09 -0.87 1.14 1.63 -1.46 0.00 0.00 175.22 175.75 2kwq n LYS 825 N 4.39 0.00 -1.78 10.12 4.76 -1.26 -5.10 118.16 129.29 2kwq n LYS 825 Ca 0.02 -1.82 -0.42 0.00 -2.87 0.00 0.00 58.31 53.22 2kwq n LYS 825 Cb 0.40 0.04 -0.03 0.00 -1.84 0.00 0.00 35.03 33.60 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 2.74 -0.12 2.13 0.52 -1.26 -4.42 118.94 118.53 2kwq s TRP 826 Ca 0.28 0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.68 2kwq s TRP 826 Cb 0.32 -4.10 -0.03 0.00 -1.15 0.00 0.00 33.47 28.51 2kwq s TRP 826 CO -0.14 -4.24 -0.01 -2.00 0.02 0.00 0.00 176.95 170.59 2kwq s GLU 827 N 1.61 3.34 -0.06 4.98 2.56 0.02 -4.93 118.70 126.22 2kwq s GLU 827 Ca 0.75 -0.44 -0.30 0.00 0.00 0.00 0.00 54.97 54.99 2kwq s GLU 827 Cb -0.47 -2.88 -0.06 0.00 2.00 0.00 0.00 34.13 32.72 2kwq s GLU 827 CO 0.33 0.49 1.69 0.50 -0.56 0.00 0.00 175.26 177.71 2kwq s ARG 828 N -0.31 4.14 0.31 4.30 6.06 -1.26 -1.71 118.95 130.49 2kwq s ARG 828 Ca 0.06 2.20 0.03 0.00 -2.50 0.00 0.00 55.73 55.52 2kwq s ARG 828 Cb -0.12 -4.01 -0.06 0.00 0.06 0.00 0.00 34.95 30.82 2kwq s ARG 828 CO 0.02 -0.90 0.07 0.14 -2.50 0.00 0.00 175.30 172.14 2kwq s VAL 829 N 4.21 0.97 0.24 7.11 -7.23 -0.00 -4.96 120.40 120.73 2kwq s VAL 829 Ca 0.75 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2kwq s VAL 829 Cb -0.34 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2kwq s VAL 829 CO 0.31 0.00 0.04 -0.83 -0.31 0.00 0.00 175.10 174.31 2kwq s GLY 830 N -3.44 1.62 -0.19 2.32 0.00 -1.26 -3.36 107.32 103.01 2kwq s GLY 830 Ca 0.36 -1.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 2kwq s GLY 830 CO 0.15 -1.57 0.64 -0.29 0.00 0.00 0.00 173.10 172.03 2kwq s MET 831 N -3.53 0.83 0.00 2.90 1.75 -0.23 -4.96 119.30 116.06 2kwq s MET 831 Ca 0.31 0.69 0.00 0.00 -1.25 0.00 0.00 55.69 55.44 2kwq s MET 831 Cb -0.07 0.40 0.00 0.00 2.84 0.00 0.00 34.83 37.99 2kwq s MET 831 CO 0.21 -0.15 0.32 1.47 -0.65 0.00 0.00 175.02 176.21 2kwq n LEU 832 N 2.20 0.00 -4.58 4.11 -0.00 -1.26 -3.95 117.00 113.53 2kwq n LEU 832 Ca -0.15 -0.76 -0.46 0.00 -0.00 0.00 0.00 56.01 54.64 2kwq n LEU 832 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.93 2kwq n LEU 832 CO 0.11 0.81 1.76 0.29 -0.00 0.00 0.00 177.39 180.36 2kwq n LYS 833 N 0.00 1.83 0.00 1.47 5.02 -1.26 -5.00 118.16 120.22 2kwq n LYS 833 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2kwq n LYS 833 Cb 0.44 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2kwq n LYS 833 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kwq n GLU 834 N 8.18 1.18 0.00 1.97 1.02 -1.26 -4.90 120.64 126.83 2kwq n GLU 834 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2kwq n GLU 834 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2kwq n GLU 834 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2kwq n LYS 835 N 0.00 0.46 -0.80 3.49 2.85 -1.26 -4.88 118.16 118.02 2kwq n LYS 835 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2kwq n LYS 835 Cb 0.00 -1.25 0.21 0.00 -0.65 0.00 0.00 35.03 33.34 2kwq n LYS 835 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2kwq s THR 836 N -0.24 2.13 0.52 0.58 -1.32 -1.26 -4.65 115.64 111.40 2kwq s THR 836 Ca 0.00 0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.33 2kwq s THR 836 Cb 0.00 -2.26 -0.07 0.00 -1.51 0.00 0.00 72.50 68.66 2kwq s THR 836 CO 0.00 -0.06 1.05 -0.83 -2.21 0.00 0.00 174.62 172.58 2kwq s GLY 837 N -2.88 2.42 0.30 6.08 0.00 -1.26 -3.48 107.32 108.50 2kwq s GLY 837 Ca 0.67 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 2kwq s GLY 837 CO 0.61 0.89 1.43 -1.05 0.00 0.00 0.00 173.10 174.98 2kwq n PRO 838 N -1.29 2.31 -1.92 2.90 -0.02 -1.26 -5.09 135.00 130.62 2kwq n PRO 838 Ca 0.09 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 62.04 2kwq n PRO 838 Cb 0.52 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2kwq n PRO 838 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kwq s LYS 839 N -1.15 2.90 0.64 -0.52 1.02 -1.23 -5.00 119.74 116.41 2kwq s LYS 839 Ca 0.61 1.65 -0.16 0.00 0.02 0.00 0.00 55.97 58.09 2kwq s LYS 839 Cb -0.56 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2kwq s LYS 839 CO 0.55 -1.22 1.13 -0.51 -0.92 0.00 0.00 175.35 174.39 2kwq s LEU 840 N -4.36 3.46 0.73 3.17 1.43 -1.26 -5.05 118.68 116.79 2kwq s LEU 840 Ca 0.73 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 2kwq s LEU 840 Cb -0.26 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.43 2kwq s LEU 840 CO 0.35 -1.64 1.11 -0.83 0.23 0.00 0.00 176.35 175.57 2kwq s GLY 841 N -2.31 1.62 0.00 -3.19 0.00 -1.26 -5.15 107.32 97.03 2kwq s GLY 841 Ca 0.70 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2kwq s GLY 841 CO 0.39 0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.13