#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 2.80 0.84 1.61 0.04 -1.26 -5.07 135.00 133.96 2kwq s PRO -3 Ca 0.00 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 2kwq s PRO -3 Cb 0.00 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2kwq s PRO -3 CO 0.00 -1.21 1.13 0.00 0.04 0.00 0.00 177.00 176.96 2kwq s MET -2 N -4.93 1.72 1.59 4.56 0.23 -1.26 -4.93 119.30 116.29 2kwq s MET -2 Ca 0.59 0.36 0.00 0.00 -1.03 0.00 0.00 55.69 55.62 2kwq s MET -2 Cb -0.15 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.25 2kwq s MET -2 CO 0.54 -1.81 0.00 0.41 -2.03 0.00 0.00 175.02 172.13 2kwq n GLY -1 N -2.48 0.32 3.77 3.16 0.00 -1.26 -4.76 105.19 103.94 2kwq n GLY -1 Ca 0.07 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 2kwq n GLY -1 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kwq s MET 755 N 0.00 3.43 0.16 1.61 1.00 -1.26 -5.12 119.30 119.11 2kwq s MET 755 Ca 0.00 1.65 0.23 0.00 0.00 0.00 0.00 55.69 57.57 2kwq s MET 755 Cb 0.00 -2.08 0.07 0.00 0.00 0.00 0.00 34.83 32.82 2kwq s MET 755 CO 0.00 -0.79 1.09 1.04 0.00 0.00 0.00 175.02 176.35 2kwq n GLN 756 N -1.14 0.49 -3.02 2.03 1.13 -1.26 -4.95 117.38 110.66 2kwq n GLN 756 Ca 0.11 0.09 -0.25 0.00 -1.94 0.00 0.00 57.00 55.01 2kwq n GLN 756 Cb 0.50 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2kwq n GLN 756 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kwq s SER 757 N -4.87 6.11 0.01 1.08 1.04 -1.26 -5.12 113.70 110.69 2kwq s SER 757 Ca 0.01 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2kwq s SER 757 Cb 0.11 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 2kwq s SER 757 CO 0.78 -0.53 0.19 -0.63 0.98 0.00 0.00 173.24 174.03 2kwq s ILE 758 N -2.53 5.42 -1.74 -1.02 1.09 -1.26 -5.01 121.20 116.15 2kwq s ILE 758 Ca 0.45 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2kwq s ILE 758 Cb -0.10 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 2kwq s ILE 758 CO 0.39 0.29 0.08 -2.11 -0.10 0.00 0.00 174.94 173.48 2kwq n ARG 759 N 0.80 0.09 -0.78 2.79 1.85 -1.26 -4.76 116.66 115.38 2kwq n ARG 759 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.74 2kwq n ARG 759 Cb 0.52 -1.01 0.01 0.00 -1.05 0.00 0.00 32.46 30.93 2kwq n ARG 759 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kwq n GLU 760 N -0.25 0.61 -3.61 2.89 -0.58 -1.26 -3.39 120.64 115.05 2kwq n GLU 760 Ca 0.00 -0.18 -0.15 0.00 -0.42 0.00 0.00 57.16 56.41 2kwq n GLU 760 Cb 0.01 -0.04 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 2kwq n GLU 760 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2kwq s GLN 761 N -2.52 0.86 0.33 3.49 -2.07 -1.26 -5.02 119.66 113.47 2kwq s GLN 761 Ca 0.04 0.62 -0.26 0.00 -1.82 0.00 0.00 55.36 53.94 2kwq s GLN 761 Cb -0.00 0.41 -0.10 0.00 -1.09 0.00 0.00 33.01 32.23 2kwq s GLN 761 CO 0.03 -0.18 0.98 -1.12 -1.32 0.00 0.00 175.29 173.69 2kwq s SER 762 N -0.28 7.22 0.10 12.60 0.01 -1.26 -3.32 113.70 128.77 2kwq s SER 762 Ca -0.05 1.94 -0.21 0.00 1.31 0.00 0.00 55.95 58.94 2kwq s SER 762 Cb -0.03 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2kwq s SER 762 CO 0.04 -0.16 0.51 0.00 0.41 0.00 0.00 173.24 174.05 2kwq s ARG 764 N -3.15 4.59 0.34 0.00 3.52 -1.26 -0.96 118.95 122.03 2kwq s ARG 764 Ca -0.01 1.71 0.03 0.00 -0.13 0.00 0.00 55.73 57.32 2kwq s ARG 764 Cb -0.00 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2kwq s ARG 764 CO -0.07 0.07 0.12 0.14 -0.81 0.00 0.00 175.30 174.75 2kwq s VAL 765 N -0.20 0.66 -0.14 7.11 -7.23 0.11 -4.80 120.40 115.91 2kwq s VAL 765 Ca 0.49 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 2kwq s VAL 765 Cb -0.29 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.14 2kwq s VAL 765 CO 0.34 0.00 0.35 0.54 -0.31 0.00 0.00 175.10 176.03 2kwq s VAL 766 N -3.43 -0.01 -0.27 1.32 0.11 0.68 -1.29 120.40 117.52 2kwq s VAL 766 Ca 0.32 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.33 2kwq s VAL 766 Cb 0.06 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2kwq s VAL 766 CO 0.16 0.02 0.10 -0.89 -3.33 0.00 0.00 175.10 171.15 2kwq s THR 767 N 0.62 4.45 -0.12 5.04 2.01 -0.31 -0.96 115.64 126.37 2kwq s THR 767 Ca -0.04 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2kwq s THR 767 Cb -0.05 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2kwq s THR 767 CO -0.04 0.26 1.43 0.00 -0.69 0.00 0.00 174.62 175.58 2kwq h LYS 769 N 8.81 0.00 0.17 0.00 1.79 -1.23 -0.58 116.57 125.53 2kwq h LYS 769 Ca -0.32 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.81 2kwq h LYS 769 Cb 1.14 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2kwq h LYS 769 CO 0.96 0.00 -1.67 1.15 -1.08 0.00 0.00 179.45 178.82 2kwq h THR 770 N 0.00 1.03 0.00 -0.16 2.02 -1.92 -3.39 112.91 110.49 2kwq h THR 770 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2kwq h THR 770 Cb 0.81 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 2kwq h THR 770 CO 0.00 0.84 -1.51 0.00 0.37 0.00 0.00 175.52 175.23 2kwq n LYS 772 N -1.90 -0.72 -4.00 0.00 4.01 -0.23 -5.06 118.16 110.27 2kwq n LYS 772 Ca -0.01 0.62 -0.25 0.00 -0.51 0.00 0.00 58.31 58.15 2kwq n LYS 772 Cb 0.41 -4.59 -0.04 0.00 -0.51 0.00 0.00 35.03 30.30 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 -2.43 3.35 -0.05 2.13 -0.85 -1.23 -4.96 117.35 113.30 2kwq s TYR 773 Ca 0.00 0.05 0.04 0.00 -0.52 0.00 0.00 57.07 56.64 2kwq s TYR 773 Cb 0.00 -1.59 -0.02 0.00 0.38 0.00 0.00 41.96 40.73 2kwq s TYR 773 CO 0.00 0.51 -0.18 0.99 -1.52 0.00 0.00 175.55 175.35 2kwq s THR 774 N -1.79 2.68 0.39 -3.49 2.01 -1.26 -1.44 115.64 112.73 2kwq s THR 774 Ca 0.33 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 2kwq s THR 774 Cb -0.10 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.43 2kwq s THR 774 CO 0.27 0.58 0.74 -2.28 -0.69 0.00 0.00 174.62 173.23 2kwq s HIS 775 N -0.47 0.31 0.23 4.92 5.04 -0.13 -4.90 115.29 120.29 2kwq s HIS 775 Ca 0.06 -0.92 0.14 0.00 -1.54 0.00 0.00 55.06 52.79 2kwq s HIS 775 Cb -0.12 0.68 0.48 0.00 0.04 0.00 0.00 32.58 33.67 2kwq s HIS 775 CO 0.01 -1.52 1.66 0.74 -2.34 0.00 0.00 174.74 173.29 2kwq h PHE 776 N 2.01 0.00 -3.48 3.88 0.04 -1.87 0.19 116.94 117.72 2kwq h PHE 776 Ca -0.32 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.39 2kwq h PHE 776 Cb 1.25 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.27 2kwq h PHE 776 CO 1.47 0.52 -0.13 -1.59 -0.60 0.00 0.00 178.31 177.97 2kwq s LYS 777 N -3.61 1.03 0.47 1.51 -2.85 -1.26 -4.45 119.74 110.58 2kwq s LYS 777 Ca -0.01 -0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 53.98 2kwq s LYS 777 Cb 0.12 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 2kwq s LYS 777 CO 0.73 -0.39 1.11 -1.25 0.10 0.00 0.00 175.35 175.65 2kwq s PRO 778 N -3.82 3.77 0.72 1.78 0.04 -1.26 -4.93 135.00 131.29 2kwq s PRO 778 Ca 0.04 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 2kwq s PRO 778 Cb 0.02 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2kwq s PRO 778 CO -0.12 -0.50 1.13 0.15 0.04 0.00 0.00 177.00 177.70 2kwq s LYS 779 N -2.88 2.39 0.38 4.56 1.02 -1.26 -4.84 119.74 119.12 2kwq s LYS 779 Ca 0.65 1.46 0.08 0.00 0.02 0.00 0.00 55.97 58.18 2kwq s LYS 779 Cb -0.24 -1.89 0.82 0.00 -0.52 0.00 0.00 37.83 36.00 2kwq s LYS 779 CO 0.29 -1.58 1.98 0.93 -0.92 0.00 0.00 175.35 176.05 2kwq h GLU 780 N -0.40 0.63 -0.50 1.68 3.07 -1.99 -0.00 114.58 117.07 2kwq h GLU 780 Ca -0.46 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.27 2kwq h GLU 780 Cb 1.26 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 2kwq h GLU 780 CO 0.51 0.42 -0.04 1.79 -1.40 0.00 0.00 179.01 180.29 2kwq h THR 781 N 0.65 1.27 -0.27 1.13 1.35 -1.98 -0.60 112.91 114.45 2kwq h THR 781 Ca 0.27 -1.15 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 2kwq h THR 781 Cb 0.25 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2kwq h THR 781 CO -0.08 0.40 -0.20 0.00 -0.25 0.00 0.00 175.52 175.39 2kwq h VAL 783 N 0.45 1.32 -0.19 0.00 2.07 -1.00 -0.44 116.25 118.46 2kwq h VAL 783 Ca 0.07 -1.69 -0.15 0.00 0.82 0.00 0.00 66.70 65.75 2kwq h VAL 783 Cb 0.60 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2kwq h VAL 783 CO 0.04 0.53 -0.48 0.28 0.02 0.00 0.00 177.57 177.96 2kwq h SER 784 N 0.37 0.74 1.15 0.57 0.02 -0.89 -2.84 113.55 112.68 2kwq h SER 784 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2kwq h SER 784 Cb 1.07 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2kwq h SER 784 CO 0.10 1.18 0.00 -0.62 -1.14 0.00 0.00 176.83 176.36 2kwq n GLU 785 N -4.18 0.14 -2.87 3.45 -0.58 0.08 -4.97 120.64 111.71 2kwq n GLU 785 Ca -0.06 0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 2kwq n GLU 785 Cb 0.58 -1.67 0.04 0.00 -0.57 0.00 0.00 31.44 29.82 2kwq n GLU 785 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kwq n ASN 786 N -1.91 -3.07 -4.70 1.62 2.85 -0.51 -5.02 115.26 104.52 2kwq n ASN 786 Ca 0.06 -0.29 -0.34 0.00 -0.11 0.00 0.00 54.58 53.90 2kwq n ASN 786 Cb 0.36 -2.78 0.12 0.00 1.24 0.00 0.00 39.78 38.72 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2kwq s HIS 787 N -3.17 1.81 0.20 1.20 3.76 -0.29 -5.02 115.29 113.78 2kwq s HIS 787 Ca 0.14 1.67 -0.28 0.00 -0.15 0.00 0.00 55.06 56.44 2kwq s HIS 787 Cb -0.06 -3.49 -0.08 0.00 1.11 0.00 0.00 32.58 30.05 2kwq s HIS 787 CO 0.36 -2.86 0.87 -0.51 -0.85 0.00 0.00 174.74 171.76 2kwq s ASP 788 N -2.13 7.53 0.01 1.40 1.01 -1.26 -4.93 116.67 118.30 2kwq s ASP 788 Ca 0.73 1.81 -0.01 0.00 0.71 0.00 0.00 52.55 55.79 2kwq s ASP 788 Cb -0.29 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.07 2kwq s ASP 788 CO 0.50 0.17 0.01 0.72 0.21 0.00 0.00 175.17 176.78 2kwq s PHE 789 N -1.10 0.18 -0.21 4.23 -0.71 -1.26 -0.70 117.98 118.41 2kwq s PHE 789 Ca 0.39 -0.37 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 2kwq s PHE 789 Cb -0.25 -0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2kwq s PHE 789 CO 0.29 -0.18 -0.01 -1.01 -1.34 0.00 0.00 175.22 172.97 2kwq s HIS 790 N -1.21 3.01 0.20 3.49 3.76 -0.28 -4.95 115.29 119.30 2kwq s HIS 790 Ca -0.13 -0.59 -0.09 0.00 -0.15 0.00 0.00 55.06 54.10 2kwq s HIS 790 Cb -0.08 -2.09 -0.07 0.00 1.11 0.00 0.00 32.58 31.46 2kwq s HIS 790 CO -0.00 -0.33 0.50 -1.58 -0.85 0.00 0.00 174.74 172.48 2kwq s TRP 791 N 1.13 3.45 0.17 1.40 0.52 -1.26 -1.16 118.94 123.19 2kwq s TRP 791 Ca 0.02 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 56.70 2kwq s TRP 791 Cb -0.14 -2.19 0.07 0.00 -1.15 0.00 0.00 33.47 30.05 2kwq s TRP 791 CO 0.01 0.33 0.99 -3.38 0.02 0.00 0.00 176.95 174.92 2kwq s HIS 792 N -1.74 -0.05 0.24 -1.98 -3.43 -0.41 -4.99 115.29 102.94 2kwq s HIS 792 Ca 0.45 -0.30 -0.12 0.00 -0.80 0.00 0.00 55.06 54.28 2kwq s HIS 792 Cb -0.12 0.67 -0.08 0.00 -1.43 0.00 0.00 32.58 31.62 2kwq s HIS 792 CO 0.22 -0.87 0.61 1.21 -2.00 0.00 0.00 174.74 173.91 2kwq s ASN 793 N -3.11 6.72 0.26 7.38 3.84 -1.26 0.09 114.94 128.86 2kwq s ASN 793 Ca 0.16 1.08 -0.05 0.00 0.21 0.00 0.00 52.86 54.26 2kwq s ASN 793 Cb -0.02 -2.29 0.02 0.00 -0.55 0.00 0.00 41.25 38.41 2kwq s ASN 793 CO 0.03 -0.08 0.43 0.61 -2.79 0.00 0.00 177.10 175.30 2kwq n GLY 794 N -0.01 1.98 3.15 1.21 0.00 -0.13 -4.83 105.19 106.55 2kwq n GLY 794 Ca 0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.58 1.33 0.13 1.61 1.01 -1.26 -1.22 120.40 119.42 2kwq s VAL 795 Ca 0.17 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2kwq s VAL 795 Cb -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2kwq s VAL 795 CO 0.12 0.38 -0.15 -1.59 0.00 0.00 0.00 175.10 173.87 2kwq s LYS 796 N -0.31 1.91 -0.08 2.72 -2.85 -1.21 -4.68 119.74 115.24 2kwq s LYS 796 Ca 0.05 -1.19 0.04 0.00 -1.00 0.00 0.00 55.97 53.86 2kwq s LYS 796 Cb -0.07 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 2kwq s LYS 796 CO -0.00 0.47 -0.20 1.03 0.10 0.00 0.00 175.35 176.74 2kwq s ARG 797 N -2.36 2.50 -0.12 1.78 1.81 0.31 -4.33 118.95 118.54 2kwq s ARG 797 Ca 0.21 -0.73 -0.05 0.00 -1.72 0.00 0.00 55.73 53.43 2kwq s ARG 797 Cb -0.10 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 2kwq s ARG 797 CO 0.12 0.17 0.08 -0.06 -0.68 0.00 0.00 175.30 174.93 2kwq s PHE 798 N 0.34 3.38 0.10 -0.53 0.08 -1.26 -1.32 117.98 118.77 2kwq s PHE 798 Ca -0.15 0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2kwq s PHE 798 Cb -0.16 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2kwq s PHE 798 CO 0.06 0.54 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.57 2kwq s PHE 799 N -0.72 1.01 0.01 0.36 0.08 -0.31 -0.81 117.98 117.59 2kwq s PHE 799 Ca 0.12 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.47 2kwq s PHE 799 Cb -0.12 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 2kwq s PHE 799 CO 0.03 -0.03 -0.03 0.21 -0.10 0.00 0.00 175.22 175.30 2kwq s LYS 800 N -3.02 0.21 0.05 0.44 2.20 -0.29 -2.33 119.74 116.99 2kwq s LYS 800 Ca 0.07 -0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 2kwq s LYS 800 Cb -0.01 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 2kwq s LYS 800 CO -0.01 0.02 0.25 0.00 -0.36 0.00 0.00 175.35 175.25 2kwq h PRO 802 N 3.43 0.00 0.00 0.00 0.13 -1.88 -1.03 132.00 132.65 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 0.97 0.60 3.73 0.00 0.00 -0.39 -5.12 105.19 104.99 2kwq n GLY 804 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 4.56 0.13 1.61 2.47 -1.25 -4.79 114.94 115.68 2kwq s ASN 805 Ca 0.00 2.42 0.06 0.00 0.42 0.00 0.00 52.86 55.76 2kwq s ASN 805 Cb 0.00 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2kwq s ASN 805 CO 0.00 -2.02 -0.15 -0.13 -3.72 0.00 0.00 177.10 171.08 2kwq s ARG 806 N -3.65 1.09 0.32 0.43 1.81 -1.26 -0.93 118.95 116.76 2kwq s ARG 806 Ca 0.77 -1.29 -0.19 0.00 -1.72 0.00 0.00 55.73 53.29 2kwq s ARG 806 Cb -0.31 -0.98 0.03 0.00 -0.45 0.00 0.00 34.95 33.24 2kwq s ARG 806 CO 0.41 0.19 0.75 -0.08 -0.68 0.00 0.00 175.30 175.88 2kwq s THR 807 N -2.21 0.00 0.00 0.02 -1.32 -0.98 -5.00 115.64 106.15 2kwq s THR 807 Ca 0.11 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2kwq s THR 807 Cb -0.05 -2.32 -0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2kwq s THR 807 CO 0.04 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 171.83 2kwq s ILE 808 N -3.34 0.05 0.15 5.08 1.01 -1.26 -1.17 121.20 121.72 2kwq s ILE 808 Ca 0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2kwq s ILE 808 Cb -0.06 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2kwq s ILE 808 CO 0.09 -0.23 0.09 -0.55 0.00 0.00 0.00 174.94 174.33 2kwq s SER 809 N -0.70 0.26 0.19 3.58 0.15 -0.43 -4.99 113.70 111.76 2kwq s SER 809 Ca -0.08 -1.21 0.23 0.00 0.70 0.00 0.00 55.95 55.59 2kwq s SER 809 Cb -0.05 0.32 0.22 0.00 -1.71 0.00 0.00 66.02 64.80 2kwq s SER 809 CO -0.00 -0.76 1.25 -0.07 1.20 0.00 0.00 173.24 174.85 2kwq h LEU 810 N 2.80 0.00-10.40 3.45 3.38 -1.86 0.90 115.31 113.59 2kwq h LEU 810 Ca -0.35 -0.10 -0.46 0.00 0.09 0.00 0.00 57.88 57.06 2kwq h LEU 810 Cb 1.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.00 2kwq h LEU 810 CO 0.57 0.05 -0.05 -0.62 0.09 0.00 0.00 178.44 178.48 2kwq s ASP 811 N -4.87 5.69 0.03 -0.43 2.15 -1.26 -4.81 116.67 113.15 2kwq s ASP 811 Ca 0.04 0.27 0.07 0.00 0.43 0.00 0.00 52.55 53.36 2kwq s ASP 811 Cb 0.11 -1.42 0.31 0.00 -0.30 0.00 0.00 42.92 41.63 2kwq s ASP 811 CO 0.74 -0.84 1.22 -2.11 -0.17 0.00 0.00 175.17 174.02 2kwq n ARG 812 N -2.19 0.01 -3.64 4.34 -4.01 -1.26 -4.66 116.66 105.25 2kwq n ARG 812 Ca 0.03 0.42 -0.09 0.00 -1.04 0.00 0.00 57.85 57.17 2kwq n ARG 812 Cb 0.58 -1.54 -0.07 0.00 -3.04 0.00 0.00 32.46 28.39 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 -3.13 -0.61 0.63 2.89 2.96 -1.26 -4.97 118.68 115.19 2kwq s LEU 813 Ca 0.02 1.10 -0.15 0.00 -0.22 0.00 0.00 54.13 54.89 2kwq s LEU 813 Cb 0.04 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.79 2kwq s LEU 813 CO 0.12 -0.18 1.07 -2.16 -1.32 0.00 0.00 176.35 173.88 2kwq s PRO 814 N 0.66 3.10 0.11 0.98 0.04 -1.26 -5.00 135.00 133.64 2kwq s PRO 814 Ca -0.02 1.24 0.17 0.00 0.04 0.00 0.00 61.00 62.43 2kwq s PRO 814 Cb -0.05 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2kwq s PRO 814 CO -0.08 -0.99 0.95 1.57 0.04 0.00 0.00 177.00 178.49 2kwq h LYS 815 N 0.19 0.00 -7.02 4.56 2.10 -2.00 -3.49 116.57 110.91 2kwq h LYS 815 Ca -0.46 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.71 2kwq h LYS 815 Cb 1.23 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.58 2kwq h LYS 815 CO 0.56 0.31 0.40 -1.59 -2.00 0.00 0.00 179.45 177.13 2kwq s LYS 816 N -2.96 3.97 0.80 0.07 -2.85 -1.26 -5.06 119.74 112.45 2kwq s LYS 816 Ca -0.01 1.44 -0.11 0.00 -1.00 0.00 0.00 55.97 56.28 2kwq s LYS 816 Cb 0.09 -2.31 0.07 0.00 -2.06 0.00 0.00 37.83 33.62 2kwq s LYS 816 CO 0.80 -0.30 1.09 -1.01 0.10 0.00 0.00 175.35 176.03 2kwq s HIS 817 N -1.82 2.68 0.25 1.78 3.76 -1.26 -4.92 115.29 115.76 2kwq s HIS 817 Ca 0.63 1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 56.56 2kwq s HIS 817 Cb -0.19 -3.07 -0.10 0.00 1.11 0.00 0.00 32.58 30.33 2kwq s HIS 817 CO 0.24 -1.85 1.45 0.00 -0.85 0.00 0.00 174.74 173.73 2kwq h SER 819 N 5.08 0.00 0.00 0.00 0.02 -1.95 -2.75 113.55 113.95 2kwq h SER 819 Ca -0.46 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.22 2kwq h SER 819 Cb 1.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 2kwq h SER 819 CO 0.78 0.00 -2.04 0.41 -1.14 0.00 0.00 176.83 174.84 2kwq n THR 820 N -2.55 1.05 0.00 -2.27 -1.04 -1.26 -4.82 114.28 103.39 2kwq n THR 820 Ca 0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2kwq n THR 820 Cb 0.31 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 1.10 1.13 0.87 0.00 0.00 -1.04 -5.01 105.19 102.24 2kwq n GLY 822 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.87 0.99 -0.00 -1.26 -4.51 117.00 108.35 2kwq n LEU 823 Ca 0.00 -0.44 -0.30 0.00 -0.00 0.00 0.00 56.01 55.27 2kwq n LEU 823 Cb 0.00 -0.17 -0.15 0.00 -0.00 0.00 0.00 43.42 43.10 2kwq n LEU 823 CO 0.00 -0.64 -0.33 0.12 -0.00 0.00 0.00 177.39 176.54 2kwq s PHE 824 N -0.80 2.65 -0.04 1.47 5.36 -1.26 -1.11 117.98 124.26 2kwq s PHE 824 Ca 0.15 -2.30 0.19 0.00 -0.96 0.00 0.00 56.93 54.01 2kwq s PHE 824 Cb -0.01 -2.25 0.33 0.00 -0.34 0.00 0.00 43.02 40.76 2kwq s PHE 824 CO 0.10 -0.90 1.14 1.63 -1.46 0.00 0.00 175.22 175.73 2kwq n LYS 825 N 4.58 0.21 -1.72 10.12 4.76 -1.26 -5.10 118.16 129.74 2kwq n LYS 825 Ca 0.00 -1.87 -0.42 0.00 -2.87 0.00 0.00 58.31 53.15 2kwq n LYS 825 Cb 0.42 -0.01 -0.03 0.00 -1.84 0.00 0.00 35.03 33.57 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 0.21 2.76 -5.03 2.13 7.02 -1.26 -4.37 117.44 118.89 2kwq n TRP 826 Ca -0.03 0.10 -0.32 0.00 -1.02 0.00 0.00 57.50 56.23 2kwq n TRP 826 Cb 1.00 -2.65 -0.15 0.00 -2.42 0.00 0.00 31.31 27.09 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 0.73 2.64 0.05 -0.99 2.56 0.09 -4.95 118.70 118.82 2kwq s GLU 827 Ca 0.72 -0.78 -0.31 0.00 0.00 0.00 0.00 54.97 54.61 2kwq s GLU 827 Cb -0.51 -2.32 -0.06 0.00 2.00 0.00 0.00 34.13 33.23 2kwq s GLU 827 CO 0.37 0.47 1.36 0.50 -0.56 0.00 0.00 175.26 177.39 2kwq s ARG 828 N -0.35 4.32 0.29 4.30 6.06 -1.26 -1.14 118.95 131.18 2kwq s ARG 828 Ca 0.03 1.96 0.05 0.00 -2.50 0.00 0.00 55.73 55.27 2kwq s ARG 828 Cb -0.12 -3.43 -0.06 0.00 0.06 0.00 0.00 34.95 31.40 2kwq s ARG 828 CO 0.02 -0.47 -0.01 0.14 -2.50 0.00 0.00 175.30 172.48 2kwq s VAL 829 N 1.74 1.43 0.00 7.11 -7.23 0.01 -4.93 120.40 118.52 2kwq s VAL 829 Ca 0.63 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2kwq s VAL 829 Cb -0.33 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2kwq s VAL 829 CO 0.28 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 2kwq n GLY 830 N -0.61 0.12 3.77 2.32 0.00 -1.26 -4.14 105.19 105.40 2kwq n GLY 830 Ca -0.04 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 0.65 3.31 0.00 1.61 1.75 -1.22 -4.81 119.30 120.58 2kwq s MET 831 Ca 0.00 1.63 0.16 0.00 -1.25 0.00 0.00 55.69 56.23 2kwq s MET 831 Cb 0.00 -2.00 0.87 0.00 2.84 0.00 0.00 34.83 36.55 2kwq s MET 831 CO 0.00 -0.89 1.58 1.28 -0.65 0.00 0.00 175.02 176.34 2kwq n LEU 832 N -1.36 0.39 0.00 4.11 7.99 -1.26 -4.90 117.00 121.97 2kwq n LEU 832 Ca 0.12 -0.17 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 2kwq n LEU 832 Cb 0.51 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2kwq n LEU 832 CO 0.42 0.08 0.00 0.29 -1.51 0.00 0.00 177.39 176.68 2kwq n LYS 833 N -0.49 -0.51 -3.61 3.23 4.76 -1.26 -4.91 118.16 115.36 2kwq n LYS 833 Ca 0.13 0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 2kwq n LYS 833 Cb 0.12 -3.79 -0.06 0.00 -1.84 0.00 0.00 35.03 29.45 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2kwq s GLU 834 N -0.78 0.57 0.12 1.97 -1.05 -1.26 -5.08 118.70 113.19 2kwq s GLU 834 Ca 0.00 0.40 0.04 0.00 -0.15 0.00 0.00 54.97 55.26 2kwq s GLU 834 Cb 0.00 0.27 -0.17 0.00 -0.44 0.00 0.00 34.13 33.79 2kwq s GLU 834 CO 0.00 -0.12 1.28 0.87 0.95 0.00 0.00 175.26 178.24 2kwq h LYS 835 N 3.47 0.08 -1.22 -4.83 1.57 -2.03 -3.49 116.57 110.11 2kwq h LYS 835 Ca -0.24 -0.12 0.31 0.00 -1.87 0.00 0.00 60.65 58.73 2kwq h LYS 835 Cb 1.17 0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 2kwq h LYS 835 CO 0.20 1.02 0.91 -0.08 -0.57 0.00 0.00 179.45 180.94 2kwq s THR 836 N -2.80 0.00 0.00 -0.16 -1.32 -1.26 -5.15 115.64 104.94 2kwq s THR 836 Ca -0.01 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2kwq s THR 836 Cb 0.10 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2kwq s THR 836 CO 0.83 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.85 2kwq n GLY 837 N -0.14 1.16 3.75 6.08 0.00 -1.26 -5.11 105.19 109.67 2kwq n GLY 837 Ca 0.01 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2kwq n GLY 837 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kwq s PRO 838 N 2.10 1.40 0.23 1.61 0.04 -1.26 -4.99 135.00 134.13 2kwq s PRO 838 Ca 0.00 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 2kwq s PRO 838 Cb 0.00 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2kwq s PRO 838 CO 0.00 -2.10 1.63 0.15 0.04 0.00 0.00 177.00 176.72 2kwq s LYS 839 N -5.05 4.15 -0.10 4.56 1.02 -1.26 -5.00 119.74 118.07 2kwq s LYS 839 Ca 0.63 2.52 -0.30 0.00 0.02 0.00 0.00 55.97 58.84 2kwq s LYS 839 Cb -0.16 -3.08 0.08 0.00 -0.52 0.00 0.00 37.83 34.15 2kwq s LYS 839 CO 0.56 -0.66 0.76 -1.17 -0.92 0.00 0.00 175.35 173.92 2kwq s LEU 840 N 0.58 -0.59 0.00 3.17 2.96 -1.26 -5.16 118.68 118.37 2kwq s LEU 840 Ca 0.69 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2kwq s LEU 840 Cb -0.47 2.36 0.00 0.00 0.50 0.00 0.00 46.19 48.58 2kwq s LEU 840 CO 0.37 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 2kwq n GLY 841 N 1.03 -1.96 0.00 7.98 0.00 -1.26 -5.21 105.19 105.76 2kwq n GLY 841 Ca -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93