#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 2.88 -0.16 1.61 0.04 -1.26 -5.03 135.00 133.09 2kwq s PRO -3 Ca 0.00 1.08 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 2kwq s PRO -3 Cb 0.00 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.32 2kwq s PRO -3 CO 0.00 -1.15 0.63 0.52 0.04 0.00 0.00 177.00 177.04 2kwq h MET -2 N -0.49 0.00 0.00 4.56 2.86 -2.07 -3.42 114.93 116.38 2kwq h MET -2 Ca -0.45 -0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 56.84 2kwq h MET -2 Cb 1.22 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.81 2kwq h MET -2 CO 0.56 1.00 -2.25 0.41 1.06 0.00 0.00 176.91 177.68 2kwq n GLY -1 N 1.57 -1.00 1.39 8.32 0.00 -1.26 -4.62 105.19 109.59 2kwq n GLY -1 Ca -0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.81 1.31 0.00 1.61 2.81 -1.26 -4.35 117.12 114.43 2kwq n MET 755 Ca -0.30 -0.69 0.13 0.00 -1.81 0.00 0.00 57.70 55.03 2kwq n MET 755 Cb 1.14 -1.27 0.45 0.00 -0.71 0.00 0.00 33.22 32.82 2kwq n MET 755 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2kwq n GLN 756 N 0.36 0.03 0.00 0.03 6.02 -1.26 -4.72 117.38 117.84 2kwq n GLN 756 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2kwq n GLN 756 Cb 0.70 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2kwq n GLN 756 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kwq n SER 757 N -1.48 0.00 -4.96 1.08 3.41 -1.26 -5.09 113.62 105.33 2kwq n SER 757 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.45 2kwq n SER 757 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2kwq n SER 757 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kwq s ILE 758 N 0.51 4.40 -0.60 -1.33 -1.09 -1.26 -4.99 121.20 116.84 2kwq s ILE 758 Ca 0.00 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 57.79 2kwq s ILE 758 Cb 0.00 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2kwq s ILE 758 CO 0.00 -0.38 2.33 -2.11 -1.23 0.00 0.00 174.94 173.55 2kwq n ARG 759 N -1.90 1.88 -3.62 2.79 1.85 -1.26 -4.73 116.66 111.67 2kwq n ARG 759 Ca -0.01 -1.18 -0.06 0.00 -1.00 0.00 0.00 57.85 55.60 2kwq n ARG 759 Cb 0.57 -2.22 -0.02 0.00 -1.05 0.00 0.00 32.46 29.75 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 2.61 0.94 -0.14 2.89 -1.05 -1.26 -4.34 118.70 118.35 2kwq s GLU 760 Ca 0.43 -0.45 -0.17 0.00 -0.15 0.00 0.00 54.97 54.64 2kwq s GLU 760 Cb 0.15 0.37 0.04 0.00 -0.44 0.00 0.00 34.13 34.25 2kwq s GLU 760 CO -0.02 -0.42 0.45 1.14 0.95 0.00 0.00 175.26 177.36 2kwq s GLN 761 N -3.13 0.59 0.36 -4.83 -2.07 -1.24 -4.89 119.66 104.46 2kwq s GLN 761 Ca 0.09 0.48 -0.27 0.00 -1.82 0.00 0.00 55.36 53.84 2kwq s GLN 761 Cb -0.01 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 32.10 2kwq s GLN 761 CO -0.04 -0.10 1.19 -1.54 -1.32 0.00 0.00 175.29 173.49 2kwq s SER 762 N -0.10 6.69 0.06 12.60 1.04 -1.26 -2.41 113.70 130.32 2kwq s SER 762 Ca -0.03 2.43 -0.19 0.00 0.48 0.00 0.00 55.95 58.63 2kwq s SER 762 Cb -0.03 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.50 2kwq s SER 762 CO 0.02 -0.56 0.45 0.00 0.98 0.00 0.00 173.24 174.12 2kwq s ARG 764 N -2.65 4.47 0.10 0.00 3.52 -1.26 -0.84 118.95 122.29 2kwq s ARG 764 Ca -0.04 1.78 -0.01 0.00 -0.13 0.00 0.00 55.73 57.33 2kwq s ARG 764 Cb -0.00 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2kwq s ARG 764 CO -0.04 0.06 0.02 0.14 -0.81 0.00 0.00 175.30 174.67 2kwq s VAL 765 N -1.28 0.21 0.00 7.11 -7.23 0.74 -4.63 120.40 115.31 2kwq s VAL 765 Ca 0.49 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2kwq s VAL 765 Cb -0.31 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 2kwq s VAL 765 CO 0.39 -0.68 -0.08 0.54 -0.31 0.00 0.00 175.10 174.97 2kwq s VAL 766 N -3.96 0.58 -0.24 1.32 0.11 0.89 -1.13 120.40 117.97 2kwq s VAL 766 Ca 0.17 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.75 2kwq s VAL 766 Cb 0.07 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2kwq s VAL 766 CO -0.03 0.08 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.91 2kwq s THR 767 N -0.35 3.34 -0.09 5.04 2.01 -0.07 -1.49 115.64 124.03 2kwq s THR 767 Ca 0.01 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2kwq s THR 767 Cb -0.04 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2kwq s THR 767 CO -0.00 0.29 1.27 0.00 -0.69 0.00 0.00 174.62 175.48 2kwq h LYS 769 N 7.87 0.00 0.23 0.00 1.79 -1.23 -1.03 116.57 124.20 2kwq h LYS 769 Ca -0.32 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.82 2kwq h LYS 769 Cb 1.14 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.82 2kwq h LYS 769 CO 0.92 0.00 -1.52 1.15 -1.08 0.00 0.00 179.45 178.92 2kwq h THR 770 N 0.00 1.19 0.00 -0.16 2.02 -1.93 -3.38 112.91 110.65 2kwq h THR 770 Ca 0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.55 2kwq h THR 770 Cb 0.89 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 2kwq h THR 770 CO 0.00 0.82 -1.58 0.00 0.37 0.00 0.00 175.52 175.12 2kwq n LYS 772 N -1.95 -0.59 -3.88 0.00 4.01 -0.39 -5.05 118.16 110.31 2kwq n LYS 772 Ca -0.01 0.70 -0.25 0.00 -0.51 0.00 0.00 58.31 58.24 2kwq n LYS 772 Cb 0.45 -4.58 -0.03 0.00 -0.51 0.00 0.00 35.03 30.36 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 -2.33 3.48 -0.08 2.13 -0.85 -1.23 -4.95 117.35 113.52 2kwq s TYR 773 Ca 0.00 0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.74 2kwq s TYR 773 Cb 0.00 -1.69 -0.00 0.00 0.38 0.00 0.00 41.96 40.65 2kwq s TYR 773 CO 0.00 0.46 -0.24 0.99 -1.52 0.00 0.00 175.55 175.24 2kwq s THR 774 N -1.84 2.00 0.32 -3.49 2.01 -1.26 -1.66 115.64 111.73 2kwq s THR 774 Ca 0.35 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2kwq s THR 774 Cb -0.11 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.72 2kwq s THR 774 CO 0.29 0.55 0.57 1.41 -0.69 0.00 0.00 174.62 176.75 2kwq n HIS 775 N 3.31 -1.82 0.11 4.92 8.25 -0.55 -4.92 115.22 124.51 2kwq n HIS 775 Ca -0.19 -1.76 -0.01 0.00 -0.26 0.00 0.00 57.72 55.50 2kwq n HIS 775 Cb 0.53 0.66 0.26 0.00 1.12 0.00 0.00 29.99 32.55 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 1.85 0.24 -2.50 4.41 0.04 -1.84 0.25 116.94 119.40 2kwq h PHE 776 Ca -0.26 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.40 2kwq h PHE 776 Cb 1.04 -0.06 -0.16 0.00 2.20 0.00 0.00 35.95 38.98 2kwq h PHE 776 CO 0.00 0.56 0.19 -1.59 -0.60 0.00 0.00 178.31 176.87 2kwq s LYS 777 N -4.20 1.15 0.47 1.51 -2.85 -1.26 -4.19 119.74 110.37 2kwq s LYS 777 Ca -0.04 -0.10 -0.20 0.00 -1.00 0.00 0.00 55.97 54.63 2kwq s LYS 777 Cb 0.14 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.35 2kwq s LYS 777 CO 0.76 -0.43 0.99 -1.25 0.10 0.00 0.00 175.35 175.52 2kwq s PRO 778 N -2.40 3.99 0.73 1.78 0.04 -1.26 -4.95 135.00 132.94 2kwq s PRO 778 Ca -0.05 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 2kwq s PRO 778 Cb -0.00 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2kwq s PRO 778 CO -0.01 -0.24 1.12 0.15 0.04 0.00 0.00 177.00 178.06 2kwq s LYS 779 N -3.39 2.36 0.46 4.56 1.02 -1.26 -4.83 119.74 118.66 2kwq s LYS 779 Ca 0.63 1.36 0.12 0.00 0.02 0.00 0.00 55.97 58.11 2kwq s LYS 779 Cb -0.12 -1.90 1.05 0.00 -0.52 0.00 0.00 37.83 36.34 2kwq s LYS 779 CO 0.19 -1.59 2.07 1.05 -0.92 0.00 0.00 175.35 176.16 2kwq h GLU 780 N -0.61 0.19 -0.28 1.68 4.11 -1.99 -0.32 114.58 117.37 2kwq h GLU 780 Ca -0.45 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 2kwq h GLU 780 Cb 1.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kwq h GLU 780 CO 0.51 0.18 0.00 1.79 0.07 0.00 0.00 179.01 181.57 2kwq h THR 781 N 0.19 1.26 -0.65 -1.06 1.35 -1.98 -0.27 112.91 111.75 2kwq h THR 781 Ca 0.05 -0.92 -0.05 0.00 -0.55 0.00 0.00 66.41 64.94 2kwq h THR 781 Cb 0.07 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 2kwq h THR 781 CO -0.00 0.29 0.21 0.00 -0.25 0.00 0.00 175.52 175.77 2kwq h VAL 783 N 0.94 1.29 -0.24 0.00 2.07 -1.09 -0.63 116.25 118.59 2kwq h VAL 783 Ca 0.21 -1.32 -0.20 0.00 0.82 0.00 0.00 66.70 66.22 2kwq h VAL 783 Cb 0.29 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kwq h VAL 783 CO -0.01 0.42 -0.62 -1.28 0.02 0.00 0.00 177.57 176.11 2kwq h SER 784 N 0.43 0.94 0.30 0.57 0.87 -0.87 -2.93 113.55 112.86 2kwq h SER 784 Ca 0.06 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kwq h SER 784 Cb 0.73 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kwq h SER 784 CO 0.05 1.34 -0.00 -0.62 -0.53 0.00 0.00 176.83 177.07 2kwq n GLU 785 N -3.98 0.71 -3.35 2.24 -0.58 -0.11 -4.95 120.64 110.62 2kwq n GLU 785 Ca -0.05 -0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.50 2kwq n GLU 785 Cb 0.66 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.13 -3.77 -4.71 1.62 5.03 -0.91 -5.00 115.26 106.39 2kwq n ASN 786 Ca 0.19 -0.51 -0.34 0.00 0.87 0.00 0.00 54.58 54.78 2kwq n ASN 786 Cb 0.18 -4.52 0.11 0.00 -1.02 0.00 0.00 39.78 34.53 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2kwq s HIS 787 N -3.30 1.86 0.11 3.10 3.76 -0.29 -5.02 115.29 115.51 2kwq s HIS 787 Ca 0.23 1.62 -0.24 0.00 -0.15 0.00 0.00 55.06 56.52 2kwq s HIS 787 Cb -0.10 -3.56 -0.07 0.00 1.11 0.00 0.00 32.58 29.96 2kwq s HIS 787 CO 0.64 -2.91 0.75 0.34 -0.85 0.00 0.00 174.74 172.71 2kwq s ASP 788 N -1.91 7.29 0.01 1.40 2.15 -1.26 -4.93 116.67 119.43 2kwq s ASP 788 Ca 0.76 1.53 -0.11 0.00 0.43 0.00 0.00 52.55 55.16 2kwq s ASP 788 Cb -0.32 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 39.84 2kwq s ASP 788 CO 0.47 0.15 0.23 0.72 -0.17 0.00 0.00 175.17 176.57 2kwq s PHE 789 N -0.75 -0.04 -0.06 -5.34 -0.12 -1.26 -0.68 117.98 109.73 2kwq s PHE 789 Ca 0.36 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.24 2kwq s PHE 789 Cb -0.22 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2kwq s PHE 789 CO 0.24 -0.39 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.82 2kwq s HIS 790 N -1.90 2.58 0.09 3.49 3.76 -0.61 -4.97 115.29 117.73 2kwq s HIS 790 Ca -0.10 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.41 2kwq s HIS 790 Cb -0.04 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2kwq s HIS 790 CO 0.00 -0.02 0.13 -1.58 -0.85 0.00 0.00 174.74 172.42 2kwq s TRP 791 N -0.41 3.27 0.00 1.40 0.52 -1.26 -0.89 118.94 121.57 2kwq s TRP 791 Ca 0.04 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.27 2kwq s TRP 791 Cb -0.12 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 2kwq s TRP 791 CO 0.02 0.54 0.00 -2.39 0.02 0.00 0.00 176.95 175.13 2kwq n HIS 792 N 0.28 -0.53 -4.30 -1.98 1.44 -0.28 -4.99 115.22 104.85 2kwq n HIS 792 Ca -0.08 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.35 2kwq n HIS 792 Cb 0.52 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.52 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 -0.11 3.96 0.00 4.39 -0.87 -1.26 -0.19 114.94 120.87 2kwq s ASN 793 Ca 0.00 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 2kwq s ASN 793 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.25 40.65 2kwq s ASN 793 CO 0.00 0.16 0.00 0.61 -2.57 0.00 0.00 177.10 175.30 2kwq n GLY 794 N 0.60 4.20 3.25 0.66 0.00 -0.02 -4.88 105.19 109.00 2kwq n GLY 794 Ca -0.14 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.59 -0.01 0.00 1.61 0.11 -1.26 -1.59 120.40 118.68 2kwq s VAL 795 Ca 0.00 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2kwq s VAL 795 Cb 0.00 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kwq s VAL 795 CO 0.00 0.01 -0.03 -1.59 -3.33 0.00 0.00 175.10 170.16 2kwq s LYS 796 N 0.60 2.67 0.07 1.54 -2.85 -1.01 -4.54 119.74 116.22 2kwq s LYS 796 Ca -0.03 -0.67 0.09 0.00 -1.00 0.00 0.00 55.97 54.36 2kwq s LYS 796 Cb -0.05 -2.58 -0.03 0.00 -2.06 0.00 0.00 37.83 33.10 2kwq s LYS 796 CO -0.04 0.61 -0.24 1.03 0.10 0.00 0.00 175.35 176.82 2kwq s ARG 797 N -1.50 1.79 -0.07 1.78 1.81 0.53 -3.66 118.95 119.63 2kwq s ARG 797 Ca 0.18 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.08 2kwq s ARG 797 Cb -0.11 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.33 2kwq s ARG 797 CO 0.09 0.50 -0.10 -0.06 -0.68 0.00 0.00 175.30 175.05 2kwq s PHE 798 N -0.92 2.84 0.05 -0.53 0.08 -1.26 -1.90 117.98 116.35 2kwq s PHE 798 Ca 0.14 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.09 2kwq s PHE 798 Cb -0.10 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2kwq s PHE 798 CO 0.04 0.20 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.19 2kwq s PHE 799 N -0.59 0.95 0.01 0.36 0.08 -0.36 -0.93 117.98 117.50 2kwq s PHE 799 Ca 0.09 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2kwq s PHE 799 Cb -0.12 -0.55 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 2kwq s PHE 799 CO 0.02 -0.01 -0.16 0.21 -0.10 0.00 0.00 175.22 175.18 2kwq s LYS 800 N -1.48 1.23 0.10 0.44 2.20 -0.34 -1.90 119.74 119.98 2kwq s LYS 800 Ca -0.04 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 2kwq s LYS 800 Cb -0.09 -1.22 -0.05 0.00 -1.51 0.00 0.00 37.83 34.96 2kwq s LYS 800 CO 0.01 0.32 0.32 0.00 -0.36 0.00 0.00 175.35 175.65 2kwq h PRO 802 N 3.09 0.00 0.00 0.00 0.13 -1.88 -0.44 132.00 132.89 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 1.04 1.70 3.72 0.00 0.00 -0.17 -5.11 105.19 106.35 2kwq n GLY 804 Ca 0.06 0.00 -0.34 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 -1.71 4.03 0.14 1.61 2.47 -1.25 -4.74 114.94 115.49 2kwq s ASN 805 Ca 0.00 2.35 0.06 0.00 0.42 0.00 0.00 52.86 55.69 2kwq s ASN 805 Cb 0.00 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 2kwq s ASN 805 CO 0.00 -2.37 -0.14 -0.13 -3.72 0.00 0.00 177.10 170.74 2kwq s ARG 806 N -3.99 1.09 0.29 0.43 1.81 -1.26 -0.87 118.95 116.45 2kwq s ARG 806 Ca 0.74 -1.34 -0.15 0.00 -1.72 0.00 0.00 55.73 53.26 2kwq s ARG 806 Cb -0.29 -0.91 0.01 0.00 -0.45 0.00 0.00 34.95 33.32 2kwq s ARG 806 CO 0.47 0.16 0.61 -0.08 -0.68 0.00 0.00 175.30 175.78 2kwq s THR 807 N -2.47 0.00 -0.00 0.02 -1.32 -0.80 -5.00 115.64 106.07 2kwq s THR 807 Ca 0.13 -1.24 -0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2kwq s THR 807 Cb -0.03 -2.32 -0.00 0.00 -1.51 0.00 0.00 72.50 68.64 2kwq s THR 807 CO 0.03 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 171.82 2kwq s ILE 808 N -3.57 0.02 0.28 5.08 1.01 -1.26 -1.22 121.20 121.54 2kwq s ILE 808 Ca 0.19 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 2kwq s ILE 808 Cb -0.03 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.38 2kwq s ILE 808 CO 0.10 -0.08 0.56 -0.55 0.00 0.00 0.00 174.94 174.97 2kwq s SER 809 N -0.24 0.02 0.03 3.58 0.15 -0.80 -4.99 113.70 111.45 2kwq s SER 809 Ca -0.03 -0.96 0.18 0.00 0.70 0.00 0.00 55.95 55.84 2kwq s SER 809 Cb -0.02 0.65 -0.16 0.00 -1.71 0.00 0.00 66.02 64.78 2kwq s SER 809 CO -0.00 -1.26 0.70 0.18 1.20 0.00 0.00 173.24 174.06 2kwq n LEU 810 N -0.44 0.63 -4.95 3.45 7.99 -1.26 -0.35 117.00 122.08 2kwq n LEU 810 Ca -0.02 0.27 -0.24 0.00 -0.01 0.00 0.00 56.01 56.01 2kwq n LEU 810 Cb 0.61 0.11 0.03 0.00 -0.11 0.00 0.00 43.42 44.05 2kwq n LEU 810 CO 0.22 0.14 0.39 -0.62 -1.51 0.00 0.00 177.39 176.01 2kwq s ASP 811 N -5.53 5.56 0.00 -1.43 2.15 -1.26 -4.75 116.67 111.41 2kwq s ASP 811 Ca -0.04 0.32 0.06 0.00 0.43 0.00 0.00 52.55 53.32 2kwq s ASP 811 Cb 0.09 -1.38 0.25 0.00 -0.30 0.00 0.00 42.92 41.58 2kwq s ASP 811 CO 0.82 -0.96 1.17 -2.11 -0.17 0.00 0.00 175.17 173.92 2kwq n ARG 812 N -2.33 0.01 -3.68 4.34 1.85 -1.26 -4.56 116.66 111.03 2kwq n ARG 812 Ca 0.04 0.38 -0.13 0.00 -1.00 0.00 0.00 57.85 57.15 2kwq n ARG 812 Cb 0.58 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.41 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 -2.96 -0.16 0.72 2.89 2.96 -1.26 -4.90 118.68 115.98 2kwq s LEU 813 Ca 0.03 1.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.95 2kwq s LEU 813 Cb 0.04 1.87 0.03 0.00 0.50 0.00 0.00 46.19 48.62 2kwq s LEU 813 CO 0.10 -0.19 1.07 -2.16 -1.32 0.00 0.00 176.35 173.85 2kwq s PRO 814 N 0.50 2.69 0.03 0.98 0.04 -1.26 -4.98 135.00 132.99 2kwq s PRO 814 Ca -0.02 0.98 0.22 0.00 0.04 0.00 0.00 61.00 62.23 2kwq s PRO 814 Cb -0.04 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 2kwq s PRO 814 CO -0.02 -1.28 0.83 0.36 0.04 0.00 0.00 177.00 176.93 2kwq n LYS 815 N -3.26 0.39 -3.37 4.56 0.00 -1.26 -5.01 118.16 110.22 2kwq n LYS 815 Ca 0.08 -0.05 -0.30 0.00 -0.00 0.00 0.00 58.31 58.04 2kwq n LYS 815 Cb 0.54 -1.58 -0.04 0.00 -0.00 0.00 0.00 35.03 33.95 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 -3.28 3.68 0.70 -1.58 0.00 -1.26 -5.11 119.74 112.88 2kwq s LYS 816 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 55.97 55.94 2kwq s LYS 816 Cb 0.14 -2.65 0.02 0.00 0.00 0.00 0.00 37.83 35.33 2kwq s LYS 816 CO 0.85 0.25 1.08 -1.01 0.00 0.00 0.00 175.35 176.52 2kwq s HIS 817 N -1.99 3.31 0.31 1.78 3.76 -1.26 -4.95 115.29 116.24 2kwq s HIS 817 Ca 0.45 1.00 -0.30 0.00 -0.15 0.00 0.00 55.06 56.06 2kwq s HIS 817 Cb -0.11 -3.05 -0.11 0.00 1.11 0.00 0.00 32.58 30.42 2kwq s HIS 817 CO 0.27 -1.16 1.58 0.00 -0.85 0.00 0.00 174.74 174.58 2kwq n SER 819 N 1.91 0.16 -0.09 0.00 3.41 -1.26 -2.74 113.62 115.02 2kwq n SER 819 Ca 0.07 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 2kwq n SER 819 Cb 0.38 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.41 1.02 0.00 6.66 -1.04 -1.26 -4.85 114.28 113.41 2kwq n THR 820 Ca 0.08 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2kwq n THR 820 Cb 0.32 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 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 1.09 0.81 1.19 0.00 0.00 -1.11 -5.02 105.19 102.14 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 -3.82 0.99 -0.00 -1.26 -4.48 117.00 108.43 2kwq n LEU 823 Ca 0.00 -0.56 -0.30 0.00 -0.00 0.00 0.00 56.01 55.15 2kwq n LEU 823 Cb 0.00 -0.25 -0.15 0.00 -0.00 0.00 0.00 43.42 43.02 2kwq n LEU 823 CO 0.00 -0.71 -0.34 0.12 -0.00 0.00 0.00 177.39 176.46 2kwq s PHE 824 N -1.25 2.23 0.00 1.47 5.36 -1.26 -1.05 117.98 123.48 2kwq s PHE 824 Ca 0.21 -2.02 0.18 0.00 -0.96 0.00 0.00 56.93 54.35 2kwq s PHE 824 Cb -0.01 -1.98 0.31 0.00 -0.34 0.00 0.00 43.02 40.99 2kwq s PHE 824 CO 0.15 -0.88 1.11 1.63 -1.46 0.00 0.00 175.22 175.77 2kwq n LYS 825 N 4.70 0.00 -1.80 10.12 4.76 -1.26 -5.09 118.16 129.58 2kwq n LYS 825 Ca -0.01 -1.69 -0.40 0.00 -2.87 0.00 0.00 58.31 53.33 2kwq n LYS 825 Cb 0.42 0.09 0.01 0.00 -1.84 0.00 0.00 35.03 33.71 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 2.53 -0.02 2.13 0.52 -1.26 -4.43 118.94 118.41 2kwq s TRP 826 Ca 0.24 1.21 0.03 0.00 0.02 0.00 0.00 56.10 57.61 2kwq s TRP 826 Cb 0.28 -3.97 -0.00 0.00 -1.15 0.00 0.00 33.47 28.62 2kwq s TRP 826 CO -0.12 -2.96 -0.11 -2.00 0.02 0.00 0.00 176.95 171.78 2kwq s GLU 827 N -2.26 1.05 -0.05 4.98 2.56 -0.29 -4.96 118.70 119.74 2kwq s GLU 827 Ca 0.57 -0.39 -0.30 0.00 0.00 0.00 0.00 54.97 54.85 2kwq s GLU 827 Cb -0.45 -0.98 -0.06 0.00 2.00 0.00 0.00 34.13 34.63 2kwq s GLU 827 CO 0.60 0.19 1.77 0.50 -0.56 0.00 0.00 175.26 177.75 2kwq s ARG 828 N -0.02 4.09 0.38 4.30 6.06 -1.26 -1.20 118.95 131.30 2kwq s ARG 828 Ca 0.00 2.27 0.08 0.00 -2.50 0.00 0.00 55.73 55.58 2kwq s ARG 828 Cb -0.07 -4.06 -0.07 0.00 0.06 0.00 0.00 34.95 30.81 2kwq s ARG 828 CO 0.00 -0.97 -0.01 0.14 -2.50 0.00 0.00 175.30 171.97 2kwq s VAL 829 N 4.44 2.15 0.97 7.11 -7.23 -0.10 -4.94 120.40 122.80 2kwq s VAL 829 Ca 0.79 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 2kwq s VAL 829 Cb -0.35 -2.88 0.18 0.00 0.56 0.00 0.00 36.38 33.89 2kwq s VAL 829 CO 0.33 -0.08 1.22 -0.83 -0.31 0.00 0.00 175.10 175.43 2kwq s GLY 830 N -3.70 1.67 0.51 2.32 0.00 -1.26 -4.27 107.32 102.59 2kwq s GLY 830 Ca 0.35 -0.91 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 2kwq s GLY 830 CO 0.18 -0.21 1.17 -0.29 0.00 0.00 0.00 173.10 173.95 2kwq s MET 831 N -5.61 3.50 -0.40 2.90 1.75 -1.26 -4.86 119.30 115.33 2kwq s MET 831 Ca 0.69 1.74 -0.29 0.00 -1.25 0.00 0.00 55.69 56.59 2kwq s MET 831 Cb -0.09 -2.20 0.02 0.00 2.84 0.00 0.00 34.83 35.40 2kwq s MET 831 CO 0.53 -0.76 1.25 -0.51 -0.65 0.00 0.00 175.02 174.88 2kwq s LEU 832 N -3.44 3.71 0.39 4.11 2.01 -1.26 -4.90 118.68 119.31 2kwq s LEU 832 Ca 0.69 0.82 0.25 0.00 0.01 0.00 0.00 54.13 55.90 2kwq s LEU 832 Cb -0.28 -3.54 0.65 0.00 0.01 0.00 0.00 46.19 43.03 2kwq s LEU 832 CO 0.32 -1.22 1.71 0.11 1.01 0.00 0.00 176.35 178.28 2kwq h LYS 833 N 9.54 0.00 -2.60 1.70 1.57 -2.06 -3.45 116.57 121.27 2kwq h LYS 833 Ca -0.25 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 2kwq h LYS 833 Cb 1.08 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.19 2kwq h LYS 833 CO 1.08 0.00 -0.10 -1.83 -0.57 0.00 0.00 179.45 178.03 2kwq s GLU 834 N -3.26 0.76 0.42 3.15 -1.05 -1.26 -5.17 118.70 112.29 2kwq s GLU 834 Ca 0.07 0.18 -0.23 0.00 -0.15 0.00 0.00 54.97 54.83 2kwq s GLU 834 Cb 0.08 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 2kwq s GLU 834 CO 0.62 -0.19 1.08 0.15 0.95 0.00 0.00 175.26 177.86 2kwq s LYS 835 N -0.85 4.01 0.30 -4.83 3.01 -1.26 -5.01 119.74 115.11 2kwq s LYS 835 Ca -0.09 1.57 -0.29 0.00 -1.01 0.00 0.00 55.97 56.15 2kwq s LYS 835 Cb -0.03 -2.46 -0.10 0.00 -1.01 0.00 0.00 37.83 34.23 2kwq s LYS 835 CO 0.05 -0.29 1.33 0.99 0.51 0.00 0.00 175.35 177.94 2kwq s THR 836 N -1.66 2.78 0.53 2.17 2.01 -1.26 -5.05 115.64 115.17 2kwq s THR 836 Ca 0.60 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.27 2kwq s THR 836 Cb -0.23 -3.47 0.12 0.00 0.01 0.00 0.00 72.50 68.92 2kwq s THR 836 CO 0.29 0.16 0.73 0.61 -0.69 0.00 0.00 174.62 175.71 2kwq n GLY 837 N 1.26 -0.73 3.72 4.40 0.00 -1.26 -5.03 105.19 107.54 2kwq n GLY 837 Ca 0.02 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.49 2.28 -2.41 1.61 -0.02 -1.26 -5.01 135.00 127.70 2kwq n PRO 838 Ca 0.10 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.10 2kwq n PRO 838 Cb 0.34 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.88 3.35 0.38 -0.52 1.02 -1.26 -5.01 119.74 115.82 2kwq s LYS 839 Ca 0.55 0.25 0.20 0.00 0.02 0.00 0.00 55.97 56.99 2kwq s LYS 839 Cb -0.54 -2.28 0.64 0.00 -0.52 0.00 0.00 37.83 35.12 2kwq s LYS 839 CO 0.62 -0.44 1.71 -0.07 -0.92 0.00 0.00 175.35 176.25 2kwq h LEU 840 N -0.02 0.00 0.00 3.17 -0.00 -2.04 -3.49 115.31 112.93 2kwq h LEU 840 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2kwq h LEU 840 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2kwq h LEU 840 CO 0.62 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 180.00 2kwq n GLY 841 N 0.43 -1.37 0.00 0.83 0.00 -1.26 -5.26 105.19 98.57 2kwq n GLY 841 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93