#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 -0.16 0.29 1.61 -0.02 -1.26 -4.93 135.00 130.53 2kwq n PRO -3 Ca 0.00 0.02 0.19 0.00 -2.02 0.00 0.00 63.50 61.69 2kwq n PRO -3 Cb 0.00 -2.26 0.91 0.00 -0.02 0.00 0.00 33.50 32.13 2kwq n PRO -3 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2kwq h MET -2 N -1.40 0.00 0.00 -0.52 2.86 -2.09 -2.95 114.93 110.84 2kwq h MET -2 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2kwq h MET -2 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2kwq h MET -2 CO 0.41 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.79 2kwq n GLY -1 N -0.54 -1.13 0.03 8.32 0.00 -1.26 -2.73 105.19 107.88 2kwq n GLY -1 Ca -0.01 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.71 0.67 -4.40 1.61 2.81 -1.11 -4.87 117.12 110.11 2kwq n MET 755 Ca 0.03 -0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.64 2kwq n MET 755 Cb 0.20 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.13 2kwq n MET 755 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2kwq s GLN 756 N -2.37 1.73 0.07 0.03 -2.07 -1.11 -5.15 119.66 110.79 2kwq s GLN 756 Ca 0.34 -2.01 -0.19 0.00 -1.82 0.00 0.00 55.36 51.68 2kwq s GLN 756 Cb 0.21 -0.31 0.04 0.00 -1.09 0.00 0.00 33.01 31.86 2kwq s GLN 756 CO 0.43 -0.45 0.45 0.45 -1.32 0.00 0.00 175.29 174.85 2kwq s SER 757 N -3.46 -0.33 -0.01 12.60 0.15 -1.26 -5.03 113.70 116.35 2kwq s SER 757 Ca 0.32 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2kwq s SER 757 Cb 0.04 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2kwq s SER 757 CO 0.17 -0.74 0.10 -0.63 1.20 0.00 0.00 173.24 173.34 2kwq s ILE 758 N -2.84 0.07 0.21 6.45 1.09 -1.26 -5.07 121.20 119.84 2kwq s ILE 758 Ca -0.03 -0.57 -0.09 0.00 -1.10 0.00 0.00 60.65 58.85 2kwq s ILE 758 Cb -0.00 -0.34 0.14 0.00 -1.06 0.00 0.00 42.46 41.20 2kwq s ILE 758 CO -0.05 -0.31 1.79 0.08 -0.10 0.00 0.00 174.94 176.34 2kwq h ARG 759 N 4.74 0.58 -6.81 2.79 -0.00 -1.99 -3.42 114.38 110.26 2kwq h ARG 759 Ca -0.30 -0.03 -0.50 0.00 -0.00 0.00 0.00 59.98 59.15 2kwq h ARG 759 Cb 1.20 -0.13 0.02 0.00 -0.00 0.00 0.00 29.97 31.05 2kwq h ARG 759 CO 0.41 0.38 0.47 -1.83 -0.00 0.00 0.00 179.97 179.40 2kwq s GLU 760 N -6.09 4.62 -0.24 0.08 -1.05 -1.26 -4.86 118.70 109.90 2kwq s GLU 760 Ca -0.13 1.78 -0.14 0.00 -0.15 0.00 0.00 54.97 56.33 2kwq s GLU 760 Cb 0.16 -3.16 0.07 0.00 -0.44 0.00 0.00 34.13 30.77 2kwq s GLU 760 CO 0.75 0.20 0.59 1.14 0.95 0.00 0.00 175.26 178.89 2kwq s GLN 761 N -1.50 0.60 0.30 -4.83 -2.07 -1.26 -5.02 119.66 105.89 2kwq s GLN 761 Ca 0.45 1.03 -0.28 0.00 -1.82 0.00 0.00 55.36 54.75 2kwq s GLN 761 Cb -0.31 0.11 -0.09 0.00 -1.09 0.00 0.00 33.01 31.63 2kwq s GLN 761 CO 0.40 -0.14 0.99 -1.54 -1.32 0.00 0.00 175.29 173.67 2kwq s SER 762 N 1.39 7.33 0.10 12.60 1.04 -1.26 -3.56 113.70 131.32 2kwq s SER 762 Ca -0.09 1.98 -0.23 0.00 0.48 0.00 0.00 55.95 58.09 2kwq s SER 762 Cb -0.06 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.52 2kwq s SER 762 CO -0.15 -0.08 0.57 0.00 0.98 0.00 0.00 173.24 174.56 2kwq s ARG 764 N -3.04 4.41 0.26 0.00 3.52 -1.26 -0.81 118.95 122.02 2kwq s ARG 764 Ca -0.02 1.84 0.11 0.00 -0.13 0.00 0.00 55.73 57.54 2kwq s ARG 764 Cb -0.00 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2kwq s ARG 764 CO -0.07 -0.30 -0.18 0.14 -0.81 0.00 0.00 175.30 174.09 2kwq s VAL 765 N 1.05 2.61 0.13 7.11 -7.23 0.10 -4.73 120.40 119.45 2kwq s VAL 765 Ca 0.60 -2.25 0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2kwq s VAL 765 Cb -0.31 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2kwq s VAL 765 CO 0.30 -0.34 -0.27 0.54 -0.31 0.00 0.00 175.10 175.02 2kwq s VAL 766 N -2.31 2.27 -0.22 1.32 0.11 0.60 -1.67 120.40 120.50 2kwq s VAL 766 Ca 0.28 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 57.57 2kwq s VAL 766 Cb -0.06 -2.01 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2kwq s VAL 766 CO 0.15 0.08 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.05 2kwq s THR 767 N -1.09 1.43 -0.22 5.04 2.01 -0.11 -1.26 115.64 121.45 2kwq s THR 767 Ca 0.14 -1.07 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 2kwq s THR 767 Cb -0.10 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2kwq s THR 767 CO 0.06 -0.03 1.29 0.00 -0.69 0.00 0.00 174.62 175.25 2kwq n LYS 769 N 6.90 0.28 0.06 0.00 4.76 0.38 -1.73 118.16 128.81 2kwq n LYS 769 Ca 0.14 0.16 -0.21 0.00 -2.87 0.00 0.00 58.31 55.53 2kwq n LYS 769 Cb 0.45 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 31.74 2kwq n LYS 769 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2kwq h THR 770 N 0.00 1.36 0.00 -0.18 2.02 -1.92 -3.39 112.91 110.80 2kwq h THR 770 Ca 0.00 -2.54 -0.15 0.00 0.77 0.00 0.00 66.41 64.50 2kwq h THR 770 Cb 0.75 3.06 -0.03 0.00 -1.74 0.00 0.00 68.15 70.19 2kwq h THR 770 CO 0.00 0.73 -1.95 0.00 0.37 0.00 0.00 175.52 174.68 2kwq n LYS 772 N -2.56 -0.68 -3.85 0.00 4.76 -0.71 -5.10 118.16 110.03 2kwq n LYS 772 Ca -0.14 0.66 -0.10 0.00 -2.87 0.00 0.00 58.31 55.87 2kwq n LYS 772 Cb 0.80 -3.20 -0.08 0.00 -1.84 0.00 0.00 35.03 30.71 2kwq n LYS 772 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2kwq s TYR 773 N -3.07 0.10 -0.07 2.13 -0.85 -1.16 -5.03 117.35 109.40 2kwq s TYR 773 Ca 0.08 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2kwq s TYR 773 Cb -0.01 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 2kwq s TYR 773 CO 0.30 -0.48 -0.12 0.99 -1.52 0.00 0.00 175.55 174.72 2kwq s THR 774 N -3.13 3.22 0.29 -3.49 2.01 -1.26 -1.48 115.64 111.81 2kwq s THR 774 Ca -0.01 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 2kwq s THR 774 Cb 0.02 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.24 2kwq s THR 774 CO -0.07 0.57 0.64 -2.28 -0.69 0.00 0.00 174.62 172.80 2kwq s HIS 775 N -0.47 0.12 0.16 4.92 5.04 -0.39 -4.94 115.29 119.72 2kwq s HIS 775 Ca 0.06 -0.57 -0.11 0.00 -1.54 0.00 0.00 55.06 52.90 2kwq s HIS 775 Cb -0.12 0.52 0.04 0.00 0.04 0.00 0.00 32.58 33.06 2kwq s HIS 775 CO 0.02 -1.22 1.61 0.74 -2.34 0.00 0.00 174.74 173.55 2kwq h PHE 776 N 2.08 1.07 -3.02 3.88 0.04 -1.87 0.17 116.94 119.29 2kwq h PHE 776 Ca -0.24 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.23 2kwq h PHE 776 Cb 1.25 -0.28 -0.19 0.00 2.20 0.00 0.00 35.95 38.93 2kwq h PHE 776 CO 0.66 0.98 -0.22 0.15 -0.60 0.00 0.00 178.31 179.28 2kwq s LYS 777 N -4.98 0.75 0.70 1.51 3.01 -1.26 -3.99 119.74 115.48 2kwq s LYS 777 Ca -0.12 -0.25 -0.11 0.00 -1.01 0.00 0.00 55.97 54.48 2kwq s LYS 777 Cb 0.12 0.33 0.01 0.00 -1.01 0.00 0.00 37.83 37.29 2kwq s LYS 777 CO 0.84 -0.22 1.06 -1.25 0.51 0.00 0.00 175.35 176.30 2kwq s PRO 778 N -1.69 2.92 0.69 -1.68 0.04 -1.26 -4.96 135.00 129.06 2kwq s PRO 778 Ca -0.11 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 2kwq s PRO 778 Cb -0.04 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2kwq s PRO 778 CO 0.02 -1.07 1.11 0.15 0.04 0.00 0.00 177.00 177.25 2kwq s LYS 779 N -5.13 2.62 0.31 4.56 1.02 -1.26 -4.89 119.74 116.97 2kwq s LYS 779 Ca 0.58 1.33 -0.00 0.00 0.02 0.00 0.00 55.97 57.90 2kwq s LYS 779 Cb -0.13 -1.93 0.49 0.00 -0.52 0.00 0.00 37.83 35.73 2kwq s LYS 779 CO 0.54 -1.38 1.92 0.93 -0.92 0.00 0.00 175.35 176.45 2kwq h GLU 780 N -0.32 0.90 -0.58 1.68 5.08 -1.99 -1.28 114.58 118.06 2kwq h GLU 780 Ca -0.46 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 2kwq h GLU 780 Cb 1.24 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2kwq h GLU 780 CO 0.53 0.68 0.31 1.79 -1.00 0.00 0.00 179.01 181.31 2kwq h THR 781 N 0.90 1.20 -0.81 1.13 1.35 -1.98 -0.02 112.91 114.68 2kwq h THR 781 Ca 0.23 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 2kwq h THR 781 Cb 0.06 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 66.92 2kwq h THR 781 CO -0.03 0.22 0.35 0.00 -0.25 0.00 0.00 175.52 175.81 2kwq h VAL 783 N 1.16 1.34 -0.25 0.00 2.07 -1.09 -1.24 116.25 118.24 2kwq h VAL 783 Ca 0.27 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.34 2kwq h VAL 783 Cb 0.17 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2kwq h VAL 783 CO -0.03 0.39 -0.43 0.28 0.02 0.00 0.00 177.57 177.80 2kwq h SER 784 N 0.06 0.65 0.71 0.57 0.02 -0.84 -2.53 113.55 112.19 2kwq h SER 784 Ca 0.03 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2kwq h SER 784 Cb 0.69 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2kwq h SER 784 CO 0.04 0.99 0.00 -0.62 -1.14 0.00 0.00 176.83 176.10 2kwq n GLU 785 N -4.02 0.27 -3.55 3.45 -0.58 -0.01 -4.96 120.64 111.23 2kwq n GLU 785 Ca -0.02 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.52 2kwq n GLU 785 Cb 0.54 -1.50 0.05 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 -1.36 -2.82 -4.69 1.62 3.02 -0.87 -4.99 115.26 105.16 2kwq n ASN 786 Ca 0.11 -0.78 -0.33 0.00 -0.03 0.00 0.00 54.58 53.56 2kwq n ASN 786 Cb 0.27 -4.44 0.14 0.00 -0.61 0.00 0.00 39.78 35.14 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 -3.52 1.77 0.01 3.10 3.76 -0.53 -5.01 115.29 114.88 2kwq s HIS 787 Ca 0.14 1.71 -0.29 0.00 -0.15 0.00 0.00 55.06 56.47 2kwq s HIS 787 Cb -0.03 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.20 2kwq s HIS 787 CO 0.79 -2.80 0.92 0.34 -0.85 0.00 0.00 174.74 173.14 2kwq s ASP 788 N -2.35 7.32 0.00 1.40 2.15 -1.26 -4.97 116.67 118.96 2kwq s ASP 788 Ca 0.71 1.59 -0.12 0.00 0.43 0.00 0.00 52.55 55.16 2kwq s ASP 788 Cb -0.26 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.83 2kwq s ASP 788 CO 0.53 -0.19 0.24 0.72 -0.17 0.00 0.00 175.17 176.29 2kwq s PHE 789 N 0.77 -0.07 -0.03 -5.34 -0.12 -1.26 -0.47 117.98 111.46 2kwq s PHE 789 Ca 0.48 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.41 2kwq s PHE 789 Cb -0.21 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 2kwq s PHE 789 CO 0.26 -0.37 -0.03 -1.01 -0.05 0.00 0.00 175.22 174.02 2kwq s HIS 790 N -1.61 3.02 0.06 3.49 3.76 -0.74 -4.97 115.29 118.30 2kwq s HIS 790 Ca -0.12 0.06 0.07 0.00 -0.15 0.00 0.00 55.06 54.92 2kwq s HIS 790 Cb -0.05 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 2kwq s HIS 790 CO 0.02 0.41 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.57 2kwq s TRP 791 N -0.97 2.59 0.21 1.40 0.52 -1.26 -0.93 118.94 120.50 2kwq s TRP 791 Ca 0.16 -0.24 -0.23 0.00 0.02 0.00 0.00 56.10 55.82 2kwq s TRP 791 Cb -0.11 -1.45 0.05 0.00 -1.15 0.00 0.00 33.47 30.81 2kwq s TRP 791 CO 0.06 0.30 0.87 -3.38 0.02 0.00 0.00 176.95 174.83 2kwq s HIS 792 N -0.99 -0.12 0.23 -1.98 -3.43 -0.67 -5.02 115.29 103.32 2kwq s HIS 792 Ca 0.16 -0.28 -0.27 0.00 -0.80 0.00 0.00 55.06 53.87 2kwq s HIS 792 Cb -0.11 0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 31.64 2kwq s HIS 792 CO 0.07 -1.03 0.88 1.21 -2.00 0.00 0.00 174.74 173.87 2kwq s ASN 793 N -2.98 7.48 0.00 7.38 3.84 -1.26 0.02 114.94 129.42 2kwq s ASN 793 Ca 0.13 1.81 0.00 0.00 0.21 0.00 0.00 52.86 55.01 2kwq s ASN 793 Cb -0.03 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2kwq s ASN 793 CO 0.05 0.12 0.00 0.61 -2.79 0.00 0.00 177.10 175.09 2kwq n GLY 794 N 1.29 3.89 3.18 1.21 0.00 0.01 -4.85 105.19 109.92 2kwq n GLY 794 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.05 -0.00 0.09 1.61 0.11 -1.26 -1.35 120.40 117.55 2kwq s VAL 795 Ca 0.00 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2kwq s VAL 795 Cb 0.00 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2kwq s VAL 795 CO 0.00 0.01 0.05 -1.59 -3.33 0.00 0.00 175.10 170.23 2kwq s LYS 796 N 0.28 2.72 0.07 1.54 -2.85 -1.23 -4.70 119.74 115.57 2kwq s LYS 796 Ca -0.01 -0.78 0.10 0.00 -1.00 0.00 0.00 55.97 54.27 2kwq s LYS 796 Cb -0.03 -2.63 -0.03 0.00 -2.06 0.00 0.00 37.83 33.08 2kwq s LYS 796 CO -0.01 0.54 -0.26 1.03 0.10 0.00 0.00 175.35 176.75 2kwq s ARG 797 N -2.43 1.67 -0.05 1.78 1.81 0.47 -4.36 118.95 117.84 2kwq s ARG 797 Ca 0.28 -1.17 0.06 0.00 -1.72 0.00 0.00 55.73 53.18 2kwq s ARG 797 Cb -0.12 -1.94 -0.01 0.00 -0.45 0.00 0.00 34.95 32.43 2kwq s ARG 797 CO 0.20 0.49 -0.25 -0.06 -0.68 0.00 0.00 175.30 175.00 2kwq s PHE 798 N -0.88 2.42 0.08 -0.53 0.40 -1.26 -1.38 117.98 116.83 2kwq s PHE 798 Ca 0.12 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 2kwq s PHE 798 Cb -0.10 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2kwq s PHE 798 CO 0.03 -0.17 -0.06 -0.06 0.70 0.00 0.00 175.22 175.66 2kwq s PHE 799 N -0.27 0.75 0.02 0.36 0.40 -0.36 -1.10 117.98 117.78 2kwq s PHE 799 Ca -0.00 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 55.47 2kwq s PHE 799 Cb -0.13 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 2kwq s PHE 799 CO 0.03 -0.19 -0.03 0.21 0.70 0.00 0.00 175.22 175.94 2kwq s LYS 800 N -3.38 0.28 0.04 0.44 2.20 -0.23 -1.84 119.74 117.24 2kwq s LYS 800 Ca 0.06 -0.43 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2kwq s LYS 800 Cb 0.03 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2kwq s LYS 800 CO -0.05 -0.00 0.17 0.00 -0.36 0.00 0.00 175.35 175.11 2kwq h PRO 802 N 3.36 0.00 0.00 0.00 0.13 -1.88 -0.89 132.00 132.72 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 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 0.86 0.51 3.73 0.00 0.00 -0.34 -5.11 105.19 104.85 2kwq n GLY 804 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.20 0.20 1.61 2.47 -1.25 -4.79 114.94 115.37 2kwq s ASN 805 Ca 0.00 2.11 0.08 0.00 0.42 0.00 0.00 52.86 55.47 2kwq s ASN 805 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 2kwq s ASN 805 CO 0.00 -2.25 -0.16 -0.13 -3.72 0.00 0.00 177.10 170.84 2kwq s ARG 806 N -4.36 1.34 0.26 0.43 1.81 -1.26 -0.95 118.95 116.22 2kwq s ARG 806 Ca 0.68 -1.55 -0.18 0.00 -1.72 0.00 0.00 55.73 52.96 2kwq s ARG 806 Cb -0.23 -1.22 0.01 0.00 -0.45 0.00 0.00 34.95 33.06 2kwq s ARG 806 CO 0.50 0.22 0.62 -0.08 -0.68 0.00 0.00 175.30 175.87 2kwq s THR 807 N -2.68 0.00 -0.03 0.02 -1.32 -0.77 -4.98 115.64 105.88 2kwq s THR 807 Ca 0.21 -1.15 -0.05 0.00 -1.21 0.00 0.00 61.69 59.49 2kwq s THR 807 Cb -0.02 -2.06 0.01 0.00 -1.51 0.00 0.00 72.50 68.91 2kwq s THR 807 CO 0.07 -0.00 0.13 -0.63 -2.21 0.00 0.00 174.62 171.98 2kwq s ILE 808 N -3.96 0.03 0.25 5.08 1.01 -1.26 -1.22 121.20 121.13 2kwq s ILE 808 Ca 0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2kwq s ILE 808 Cb -0.04 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.17 2kwq s ILE 808 CO 0.07 -0.13 0.56 -0.55 0.00 0.00 0.00 174.94 174.90 2kwq s SER 809 N -0.39 -0.17 0.00 3.58 0.15 -0.48 -5.00 113.70 111.40 2kwq s SER 809 Ca -0.05 -0.77 0.22 0.00 0.70 0.00 0.00 55.95 56.05 2kwq s SER 809 Cb -0.03 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.85 2kwq s SER 809 CO 0.01 -1.20 1.01 0.18 1.20 0.00 0.00 173.24 174.43 2kwq n LEU 810 N -0.40 0.87 -4.99 3.45 7.99 -1.26 -0.40 117.00 122.25 2kwq n LEU 810 Ca -0.03 -0.37 -0.19 0.00 -0.01 0.00 0.00 56.01 55.41 2kwq n LEU 810 Cb 0.61 -0.06 0.02 0.00 -0.11 0.00 0.00 43.42 43.88 2kwq n LEU 810 CO 0.19 0.22 0.23 -0.62 -1.51 0.00 0.00 177.39 175.90 2kwq s ASP 811 N -3.04 5.54 0.13 -1.43 2.15 -1.26 -4.89 116.67 113.87 2kwq s ASP 811 Ca 0.08 -0.25 0.16 0.00 0.43 0.00 0.00 52.55 52.98 2kwq s ASP 811 Cb 0.16 -0.78 0.71 0.00 -0.30 0.00 0.00 42.92 42.71 2kwq s ASP 811 CO 0.83 -0.88 1.49 -2.11 -0.17 0.00 0.00 175.17 174.33 2kwq n ARG 812 N -2.02 0.08 -3.68 4.34 -4.01 -1.26 -4.66 116.66 105.45 2kwq n ARG 812 Ca 0.07 0.41 -0.13 0.00 -1.04 0.00 0.00 57.85 57.16 2kwq n ARG 812 Cb 0.59 -1.69 -0.09 0.00 -3.04 0.00 0.00 32.46 28.24 2kwq n ARG 812 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kwq s LEU 813 N -3.70 -0.23 0.58 2.89 2.96 -1.26 -4.98 118.68 114.94 2kwq s LEU 813 Ca 0.03 1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.93 2kwq s LEU 813 Cb 0.07 1.95 -0.04 0.00 0.50 0.00 0.00 46.19 48.67 2kwq s LEU 813 CO 0.25 -0.20 1.11 -2.16 -1.32 0.00 0.00 176.35 174.03 2kwq s PRO 814 N 0.47 3.20 0.25 0.98 0.04 -1.26 -4.99 135.00 133.69 2kwq s PRO 814 Ca -0.01 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.70 2kwq s PRO 814 Cb -0.04 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.57 2kwq s PRO 814 CO -0.02 -0.95 1.23 1.57 0.04 0.00 0.00 177.00 178.88 2kwq h LYS 815 N 0.75 0.00 -6.19 4.56 -0.00 -1.98 -3.49 116.57 110.22 2kwq h LYS 815 Ca -0.49 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 59.61 2kwq h LYS 815 Cb 1.25 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.39 2kwq h LYS 815 CO 0.56 0.17 -0.62 -1.59 -0.00 0.00 0.00 179.45 177.97 2kwq s LYS 816 N -3.14 2.36 0.74 0.07 0.00 -1.26 -5.14 119.74 113.37 2kwq s LYS 816 Ca 0.02 -1.40 -0.11 0.00 0.00 0.00 0.00 55.97 54.48 2kwq s LYS 816 Cb 0.08 -2.20 0.03 0.00 0.00 0.00 0.00 37.83 35.74 2kwq s LYS 816 CO 0.75 0.34 1.09 -1.01 0.00 0.00 0.00 175.35 176.52 2kwq s HIS 817 N -2.32 3.08 0.26 1.78 3.76 -1.26 -4.97 115.29 115.63 2kwq s HIS 817 Ca 0.32 1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 56.10 2kwq s HIS 817 Cb -0.06 -3.03 -0.11 0.00 1.11 0.00 0.00 32.58 30.48 2kwq s HIS 817 CO 0.21 -1.42 1.59 0.00 -0.85 0.00 0.00 174.74 174.26 2kwq n SER 819 N 2.63 0.08 -0.10 0.00 3.41 -1.26 -2.54 113.62 115.85 2kwq n SER 819 Ca 0.10 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.79 2kwq n SER 819 Cb 0.38 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.42 1.09 0.00 6.66 -1.04 -1.26 -4.85 114.28 113.45 2kwq n THR 820 Ca 0.09 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2kwq n THR 820 Cb 0.32 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 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 0.97 0.91 0.09 0.00 0.00 -1.05 -5.02 105.19 101.10 2kwq n GLY 822 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.72 0.99 -0.00 -1.26 -4.44 117.00 108.56 2kwq n LEU 823 Ca 0.00 -0.04 -0.29 0.00 -0.00 0.00 0.00 56.01 55.67 2kwq n LEU 823 Cb 0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.25 2kwq n LEU 823 CO 0.00 -0.52 -0.34 0.12 -0.00 0.00 0.00 177.39 176.66 2kwq s PHE 824 N -0.33 1.52 -0.03 1.47 2.19 -1.26 -1.25 117.98 120.29 2kwq s PHE 824 Ca 0.02 -1.55 0.19 0.00 0.33 0.00 0.00 56.93 55.92 2kwq s PHE 824 Cb -0.00 -1.55 0.33 0.00 -1.31 0.00 0.00 43.02 40.48 2kwq s PHE 824 CO 0.01 -0.84 1.13 1.63 1.83 0.00 0.00 175.22 178.99 2kwq n LYS 825 N 4.90 0.15 -1.90 10.12 4.76 -1.26 -5.10 118.16 129.83 2kwq n LYS 825 Ca -0.04 -1.83 -0.41 0.00 -2.87 0.00 0.00 58.31 53.16 2kwq n LYS 825 Cb 0.43 0.03 -0.01 0.00 -1.84 0.00 0.00 35.03 33.63 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 -0.25 2.80 -0.02 2.13 0.52 -1.26 -4.44 118.94 118.42 2kwq s TRP 826 Ca 0.24 1.11 0.06 0.00 0.02 0.00 0.00 56.10 57.53 2kwq s TRP 826 Cb 0.29 -3.93 -0.01 0.00 -1.15 0.00 0.00 33.47 28.67 2kwq s TRP 826 CO -0.12 -2.84 -0.20 -2.00 0.02 0.00 0.00 176.95 171.82 2kwq s GLU 827 N -1.36 1.64 0.17 4.98 2.56 -0.16 -4.95 118.70 121.58 2kwq s GLU 827 Ca 0.55 -0.71 -0.31 0.00 0.00 0.00 0.00 54.97 54.50 2kwq s GLU 827 Cb -0.45 -1.57 -0.10 0.00 2.00 0.00 0.00 34.13 34.02 2kwq s GLU 827 CO 0.54 0.42 1.51 0.50 -0.56 0.00 0.00 175.26 177.68 2kwq s ARG 828 N -0.45 4.24 0.11 4.30 6.06 -1.26 -1.07 118.95 130.89 2kwq s ARG 828 Ca 0.07 2.30 0.02 0.00 -2.50 0.00 0.00 55.73 55.62 2kwq s ARG 828 Cb -0.08 -3.16 -0.01 0.00 0.06 0.00 0.00 34.95 31.76 2kwq s ARG 828 CO -0.01 -0.55 0.11 1.33 -2.50 0.00 0.00 175.30 173.69 2kwq n VAL 829 N 3.68 0.00 -0.40 7.11 0.24 -0.26 -4.91 118.33 123.80 2kwq n VAL 829 Ca 0.12 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2kwq n VAL 829 Cb 0.39 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2kwq n VAL 829 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kwq n GLY 830 N -0.20 -1.24 0.12 7.63 0.00 -1.26 -4.43 105.19 105.81 2kwq n GLY 830 Ca 0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 2kwq n GLY 830 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kwq n MET 831 N -0.51 -1.00 -2.93 1.61 1.56 -1.26 -4.67 117.12 109.93 2kwq n MET 831 Ca 0.00 -0.06 -0.39 0.00 -0.27 0.00 0.00 57.70 56.97 2kwq n MET 831 Cb 0.00 -0.06 -0.06 0.00 2.15 0.00 0.00 33.22 35.25 2kwq n MET 831 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kwq s LEU 832 N 0.00 4.60 -0.23 -0.89 2.01 -1.26 -5.06 118.68 117.84 2kwq s LEU 832 Ca 0.02 1.71 -0.09 0.00 0.01 0.00 0.00 54.13 55.79 2kwq s LEU 832 Cb -0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 2kwq s LEU 832 CO 0.02 0.19 0.11 -0.54 1.01 0.00 0.00 176.35 177.13 2kwq s LYS 833 N -1.20 3.89 -0.02 1.70 -0.14 -1.26 -5.09 119.74 117.61 2kwq s LYS 833 Ca 0.37 -0.37 -0.07 0.00 -1.36 0.00 0.00 55.97 54.54 2kwq s LYS 833 Cb -0.23 -3.40 0.01 0.00 -1.68 0.00 0.00 37.83 32.53 2kwq s LYS 833 CO 0.27 0.00 0.16 -1.21 -0.76 0.00 0.00 175.35 173.82 2kwq s GLU 834 N 1.15 0.40 0.35 1.68 2.02 -1.26 -5.16 118.70 117.88 2kwq s GLU 834 Ca 0.06 -0.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.61 2kwq s GLU 834 Cb -0.14 0.17 -0.10 0.00 0.10 0.00 0.00 34.13 34.16 2kwq s GLU 834 CO 0.04 -0.09 1.27 -1.59 0.02 0.00 0.00 175.26 174.91 2kwq s LYS 835 N -0.87 4.29 0.11 1.61 -2.85 -1.26 -5.02 119.74 115.76 2kwq s LYS 835 Ca -0.10 2.12 -0.25 0.00 -1.00 0.00 0.00 55.97 56.74 2kwq s LYS 835 Cb -0.05 -2.99 0.08 0.00 -2.06 0.00 0.00 37.83 32.81 2kwq s LYS 835 CO 0.01 -0.21 1.10 -0.08 0.10 0.00 0.00 175.35 176.27 2kwq s THR 836 N -1.19 0.00 0.00 3.79 -1.32 -1.26 -5.20 115.64 110.46 2kwq s THR 836 Ca 0.51 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 2kwq s THR 836 Cb -0.38 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 2kwq s THR 836 CO 0.49 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 2kwq n GLY 837 N -0.63 -0.80 0.00 6.08 0.00 -1.26 -4.97 105.19 103.61 2kwq n GLY 837 Ca -0.04 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.40 2kwq n GLY 837 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kwq n PRO 838 N -0.70 0.35 -3.79 1.61 -0.04 -1.26 -4.79 135.00 126.37 2kwq n PRO 838 Ca 0.00 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 2kwq n PRO 838 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2kwq n PRO 838 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kwq s LYS 839 N -2.51 0.74 0.76 0.54 0.00 -1.26 -5.18 119.74 112.83 2kwq s LYS 839 Ca 0.22 -0.51 -0.11 0.00 0.00 0.00 0.00 55.97 55.56 2kwq s LYS 839 Cb 0.15 0.32 0.05 0.00 0.00 0.00 0.00 37.83 38.34 2kwq s LYS 839 CO 0.32 -0.23 1.09 -0.48 0.00 0.00 0.00 175.35 176.05 2kwq s LEU 840 N -1.97 2.76 0.00 2.77 -0.00 -1.26 -4.95 118.68 116.03 2kwq s LEU 840 Ca -0.06 1.32 0.00 0.00 -0.00 0.00 0.00 54.13 55.39 2kwq s LEU 840 Cb -0.02 -4.03 0.00 0.00 -0.00 0.00 0.00 46.19 42.15 2kwq s LEU 840 CO -0.03 -1.73 0.00 0.61 -0.00 0.00 0.00 176.35 175.21 2kwq n GLY 841 N -2.28 -1.69 0.00 -3.48 0.00 -1.26 -5.13 105.19 91.35 2kwq n GLY 841 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93