#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4v h PHE 827 N 0.00 0.75 -0.18 2.98 3.04 -2.00 -2.91 116.94 118.63 2h4v h PHE 827 Ca 0.00 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.80 2h4v h PHE 827 Cb 0.00 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.28 2h4v h PHE 827 CO 0.00 0.14 -0.61 0.37 -2.02 0.00 0.00 178.31 176.19 2h4v h GLN 828 N 0.52 0.63 0.00 1.11 5.75 -1.99 -0.23 115.11 120.90 2h4v h GLN 828 Ca 0.55 -0.43 -0.13 0.00 -0.15 0.00 0.00 58.65 58.49 2h4v h GLN 828 Cb 1.21 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 2h4v h GLN 828 CO -0.29 1.05 -0.62 0.66 -2.65 0.00 0.00 178.83 176.99 2h4v h SER 829 N 0.47 0.00 -0.39 -0.69 4.64 -1.79 -1.79 113.55 113.99 2h4v h SER 829 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2h4v h SER 829 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2h4v h SER 829 CO 0.12 0.62 -0.11 -0.03 -0.87 0.00 0.00 176.83 176.56 2h4v h MET 830 N 0.00 0.77 -0.67 4.77 1.85 -1.30 -1.24 114.93 119.10 2h4v h MET 830 Ca -0.01 -0.30 0.04 0.00 -0.61 0.00 0.00 59.70 58.82 2h4v h MET 830 Cb 1.19 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 33.13 2h4v h MET 830 CO 0.08 0.91 0.41 -0.22 -0.40 0.00 0.00 176.91 177.69 2h4v h LYS 831 N 0.58 0.76 -0.39 0.39 3.64 -0.92 -1.37 116.57 119.25 2h4v h LYS 831 Ca 0.10 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2h4v h LYS 831 Cb 0.64 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2h4v h LYS 831 CO 0.04 0.50 -0.26 1.96 -2.27 0.00 0.00 179.45 179.42 2h4v h GLN 832 N 0.78 0.83 -0.12 1.90 1.08 -1.16 -1.35 115.11 117.07 2h4v h GLN 832 Ca 0.28 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2h4v h GLN 832 Cb 0.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2h4v h GLN 832 CO -0.13 0.99 0.06 0.35 -0.95 0.00 0.00 178.83 179.15 2h4v h PHE 833 N 0.71 0.18 -0.40 2.96 3.57 -1.02 0.17 116.94 123.11 2h4v h PHE 833 Ca 0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2h4v h PHE 833 Cb 0.80 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2h4v h PHE 833 CO 0.04 0.23 0.16 0.28 -2.23 0.00 0.00 178.31 176.80 2h4v h VAL 834 N 0.07 0.91 -0.79 1.41 2.07 -1.19 0.08 116.25 118.81 2h4v h VAL 834 Ca 0.04 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2h4v h VAL 834 Cb 0.12 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2h4v h VAL 834 CO -0.01 0.06 0.51 0.11 0.02 0.00 0.00 177.57 178.27 2h4v h LYS 835 N 0.33 1.05 -0.56 1.57 1.57 -1.15 -2.73 116.57 116.65 2h4v h LYS 835 Ca 0.18 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2h4v h LYS 835 Cb 0.13 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2h4v h LYS 835 CO -0.16 0.70 0.18 1.25 -0.57 0.00 0.00 179.45 180.85 2h4v h HIS 836 N 1.07 0.85 -0.28 -1.35 2.76 0.80 -1.36 115.15 117.65 2h4v h HIS 836 Ca 0.29 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 2h4v h HIS 836 Cb -0.11 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.57 2h4v h HIS 836 CO 0.00 0.68 0.10 0.82 -1.30 0.00 0.00 177.93 178.23 2h4v h ILE 837 N 0.81 0.93 -0.81 6.26 2.04 -0.74 -0.62 117.51 125.38 2h4v h ILE 837 Ca 0.19 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2h4v h ILE 837 Cb 0.22 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2h4v h ILE 837 CO -0.01 0.04 0.41 1.23 0.00 0.00 0.00 178.15 179.82 2h4v h GLY 838 N 0.22 1.23 0.50 5.37 0.00 -1.28 -2.07 103.07 107.04 2h4v h GLY 838 Ca 0.12 -0.58 0.08 0.00 0.00 0.00 0.00 47.33 46.94 2h4v h GLY 838 CO -0.13 0.56 0.24 -2.09 0.00 0.00 0.00 176.54 175.12 2h4v h GLU 839 N 1.14 0.43 -0.32 4.80 4.81 -0.48 -2.01 114.58 122.95 2h4v h GLU 839 Ca 0.28 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2h4v h GLU 839 Cb 0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2h4v h GLU 839 CO -0.04 0.28 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.44 2h4v h LEU 840 N 0.44 0.46 -0.88 1.64 3.38 -0.48 -2.51 115.31 117.36 2h4v h LEU 840 Ca 0.28 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2h4v h LEU 840 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2h4v h LEU 840 CO -0.25 0.54 -0.48 1.88 0.09 0.00 0.00 178.44 180.21 2h4v h TYR 841 N 0.47 0.00 -4.21 1.13 -1.99 -1.00 -2.75 116.97 108.63 2h4v h TYR 841 Ca 0.10 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.31 2h4v h TYR 841 Cb 0.33 0.00 0.15 0.00 2.00 0.00 0.00 36.73 39.21 2h4v h TYR 841 CO 0.01 0.48 0.36 -1.54 -0.00 0.00 0.00 178.16 177.47 2h4v s SER 842 N -6.64 4.27 -1.18 3.88 1.04 -0.80 -1.26 113.70 113.01 2h4v s SER 842 Ca -0.01 2.21 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 2h4v s SER 842 Cb 0.12 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2h4v s SER 842 CO 0.72 -2.21 0.85 0.59 0.98 0.00 0.00 173.24 174.18 2h4v n ASN 843 N -2.91 -3.50 -3.76 7.02 4.13 -1.26 -2.29 115.26 112.69 2h4v n ASN 843 Ca 0.12 -0.77 -0.24 0.00 1.68 0.00 0.00 54.58 55.37 2h4v n ASN 843 Cb 0.51 -4.56 0.03 0.00 -1.54 0.00 0.00 39.78 34.23 2h4v n ASN 843 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h4v n ASN 844 N -3.07 -2.52 -2.01 6.41 4.13 -1.25 -2.53 115.26 114.42 2h4v n ASN 844 Ca -0.20 -0.79 -0.18 0.00 1.68 0.00 0.00 54.58 55.09 2h4v n ASN 844 Cb 0.65 -4.07 -0.01 0.00 -1.54 0.00 0.00 39.78 34.81 2h4v n ASN 844 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h4v n GLN 845 N -4.43 -1.42 -0.17 3.52 6.02 -0.39 -4.91 117.38 115.61 2h4v n GLN 845 Ca -0.18 0.87 -0.02 0.00 -0.01 0.00 0.00 57.00 57.66 2h4v n GLN 845 Cb 0.63 -5.35 0.08 0.00 1.02 0.00 0.00 30.24 26.61 2h4v n GLN 845 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2h4v h HIS 846 N 0.00 0.31 -0.71 1.08 2.76 -1.19 -1.90 115.15 115.50 2h4v h HIS 846 Ca -0.42 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.72 2h4v h HIS 846 Cb 1.31 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 2h4v h HIS 846 CO 0.47 0.08 0.22 0.78 -1.30 0.00 0.00 177.93 178.19 2h4v h GLY 847 N 0.35 1.18 1.00 5.26 0.00 -1.73 -0.37 103.07 108.75 2h4v h GLY 847 Ca 0.26 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2h4v h GLY 847 CO -0.28 0.65 0.52 0.74 0.00 0.00 0.00 176.54 178.18 2h4v h PHE 848 N 1.04 0.98 -0.40 5.60 0.04 -1.14 -0.22 116.94 122.84 2h4v h PHE 848 Ca 0.23 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 2h4v h PHE 848 Cb 0.30 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2h4v h PHE 848 CO 0.02 0.62 -0.02 0.77 -0.60 0.00 0.00 178.31 179.10 2h4v h SER 849 N 1.06 0.72 -0.02 2.17 0.02 -0.95 -0.31 113.55 116.23 2h4v h SER 849 Ca 0.29 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2h4v h SER 849 Cb -0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 2h4v h SER 849 CO -0.07 0.87 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.11 2h4v h GLU 850 N 0.55 -0.08 -0.29 3.45 5.08 -0.85 0.84 114.58 123.27 2h4v h GLU 850 Ca 0.11 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2h4v h GLU 850 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2h4v h GLU 850 CO 0.03 -0.06 0.04 -0.44 -1.00 0.00 0.00 179.01 177.58 2h4v h ASP 851 N -0.09 -0.03 0.11 1.42 5.19 -0.85 -1.72 116.42 120.46 2h4v h ASP 851 Ca 0.03 0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 56.30 2h4v h ASP 851 Cb 0.13 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2h4v h ASP 851 CO -0.08 0.02 -0.73 0.15 -3.12 0.00 0.00 179.24 175.48 2h4v h PHE 852 N 0.14 0.73 -0.88 4.55 3.57 -0.78 -1.96 116.94 122.32 2h4v h PHE 852 Ca 0.14 -0.32 0.07 0.00 3.53 0.00 0.00 57.97 61.39 2h4v h PHE 852 Cb 0.16 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 2h4v h PHE 852 CO -0.18 1.10 0.54 0.93 -2.23 0.00 0.00 178.31 178.46 2h4v h GLU 853 N 0.37 0.92 -0.39 1.11 5.08 -0.76 -0.44 114.58 120.47 2h4v h GLU 853 Ca -0.03 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2h4v h GLU 853 Cb 1.32 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2h4v h GLU 853 CO 0.14 0.61 0.20 0.93 -1.00 0.00 0.00 179.01 179.89 2h4v h GLU 854 N 0.95 0.40 -0.23 2.33 5.08 -0.86 -0.40 114.58 121.85 2h4v h GLU 854 Ca 0.40 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2h4v h GLU 854 Cb 0.24 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2h4v h GLU 854 CO -0.20 0.27 0.06 0.28 -1.00 0.00 0.00 179.01 178.42 2h4v h VAL 855 N 0.42 0.91 -0.71 3.13 2.07 -0.69 -0.57 116.25 120.81 2h4v h VAL 855 Ca 0.16 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2h4v h VAL 855 Cb 0.06 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2h4v h VAL 855 CO -0.10 0.03 0.29 1.56 0.02 0.00 0.00 177.57 179.36 2h4v h GLN 856 N 0.16 1.06 -0.59 1.57 4.20 -0.73 -2.16 115.11 118.62 2h4v h GLN 856 Ca 0.10 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2h4v h GLN 856 Cb 0.09 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2h4v h GLN 856 CO -0.12 0.88 0.12 0.00 -0.67 0.00 0.00 178.83 179.03 2h4v h ARG 857 N 1.02 0.94 -0.36 1.46 3.08 -0.70 -0.77 114.38 119.05 2h4v h ARG 857 Ca 0.24 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2h4v h ARG 857 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2h4v h ARG 857 CO -0.02 0.86 0.23 0.00 -1.07 0.00 0.00 179.97 179.97 2h4v h THR 859 N 0.47 1.04 -0.73 0.00 2.02 -1.16 -2.41 112.91 112.14 2h4v h THR 859 Ca 0.13 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2h4v h THR 859 Cb -0.04 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2h4v h THR 859 CO -0.04 0.07 0.31 0.00 0.37 0.00 0.00 175.52 176.24 2h4v h ALA 860 N 1.15 1.17 0.00 6.16 0.00 -0.67 -3.14 119.26 123.93 2h4v h ALA 860 Ca 0.13 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2h4v h ALA 860 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2h4v h ALA 860 CO -0.06 0.61 -0.77 -0.44 0.00 0.00 0.00 179.25 178.59 2h4v h ASP 861 N 1.05 0.00 -3.43 0.00 3.32 -0.91 -3.45 116.42 113.00 2h4v h ASP 861 Ca 0.25 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.76 2h4v h ASP 861 Cb 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2h4v h ASP 861 CO -0.03 0.64 0.12 -0.32 -1.72 0.00 0.00 179.24 177.94 2h4v s MET 862 N -2.89 4.46 -0.38 3.56 1.75 -0.92 -5.03 119.30 119.86 2h4v s MET 862 Ca 0.02 1.03 -0.11 0.00 -1.25 0.00 0.00 55.69 55.38 2h4v s MET 862 Cb 0.08 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.51 2h4v s MET 862 CO 0.77 0.56 0.22 1.21 -0.65 0.00 0.00 175.02 177.13 2h4v s ASN 863 N -1.02 5.78 -0.18 1.11 3.84 -1.26 -4.94 114.94 118.26 2h4v s ASN 863 Ca 0.34 -0.98 0.01 0.00 0.21 0.00 0.00 52.86 52.44 2h4v s ASN 863 Cb -0.22 -2.04 0.03 0.00 -0.55 0.00 0.00 41.25 38.47 2h4v s ASN 863 CO 0.24 -0.39 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.37 2h4v s ILE 864 N 1.57 1.86 0.49 -5.21 1.01 -1.26 -5.12 121.20 114.54 2h4v s ILE 864 Ca 0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 2h4v s ILE 864 Cb -0.19 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 2h4v s ILE 864 CO 0.07 0.41 1.12 0.42 0.00 0.00 0.00 174.94 176.96 2h4v s THR 865 N 1.35 3.27 -0.36 2.92 -4.23 -1.26 -4.91 115.64 112.42 2h4v s THR 865 Ca 0.03 0.87 0.14 0.00 -1.18 0.00 0.00 61.69 61.54 2h4v s THR 865 Cb -0.14 -3.40 0.40 0.00 1.34 0.00 0.00 72.50 70.70 2h4v s THR 865 CO -0.11 -0.10 0.93 0.00 -0.54 0.00 0.00 174.62 174.81 2h4v n ALA 866 N -0.84 2.21 -0.32 3.99 0.00 -1.26 -0.75 120.51 123.54 2h4v n ALA 866 Ca 0.09 -2.85 -0.04 0.00 0.00 0.00 0.00 53.44 50.64 2h4v n ALA 866 Cb 0.50 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 19.06 2h4v n ALA 866 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2h4v h GLU 867 N 2.89 1.20 -0.68 0.00 4.39 -1.93 -2.90 114.58 117.55 2h4v h GLU 867 Ca -0.05 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 2h4v h GLU 867 Cb 1.11 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 2h4v h GLU 867 CO 0.40 0.88 0.16 0.45 -1.16 0.00 0.00 179.01 179.73 2h4v h HIS 868 N 1.20 1.15 -0.12 4.33 3.86 -1.94 -2.42 115.15 121.20 2h4v h HIS 868 Ca 0.30 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2h4v h HIS 868 Cb 0.03 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 2h4v h HIS 868 CO 0.01 0.94 0.02 0.77 0.86 0.00 0.00 177.93 180.53 2h4v h SER 869 N 1.02 0.15 0.00 2.45 0.02 -1.77 -2.35 113.55 113.07 2h4v h SER 869 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2h4v h SER 869 Cb 0.38 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2h4v h SER 869 CO 0.00 0.17 -0.02 0.59 -1.14 0.00 0.00 176.83 176.44 2h4v n ASN 870 N -4.45 1.51 -4.75 3.07 5.03 -0.95 -4.45 115.26 110.26 2h4v n ASN 870 Ca -0.01 -1.48 -0.41 0.00 0.87 0.00 0.00 54.58 53.56 2h4v n ASN 870 Cb 0.13 0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 2h4v n ASN 870 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2h4v s HIS 871 N -2.03 3.33 0.37 3.10 2.46 -0.89 -4.90 115.29 116.73 2h4v s HIS 871 Ca 0.37 1.47 0.14 0.00 0.47 0.00 0.00 55.06 57.52 2h4v s HIS 871 Cb 0.21 -3.49 1.00 0.00 -0.13 0.00 0.00 32.58 30.16 2h4v s HIS 871 CO 0.35 -1.32 1.78 -1.35 -2.47 0.00 0.00 174.74 171.73 2h4v h PRO 872 N 4.22 0.49 0.00 2.88 0.11 -1.92 0.02 132.00 137.80 2h4v h PRO 872 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2h4v h PRO 872 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2h4v h PRO 872 CO 0.70 0.32 -0.08 0.93 -0.21 0.00 0.00 178.00 179.66 2h4v h GLU 873 N 0.50 0.00 -0.02 1.05 3.07 -1.94 -3.02 114.58 114.22 2h4v h GLU 873 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2h4v h GLU 873 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2h4v h GLU 873 CO -0.32 0.08 -0.37 0.09 -1.40 0.00 0.00 179.01 177.09 2h4v n ASN 874 N -3.25 2.11 -0.31 1.42 3.02 -0.03 -4.57 115.26 113.65 2h4v n ASN 874 Ca -0.00 -1.55 0.01 0.00 -0.03 0.00 0.00 54.58 53.01 2h4v n ASN 874 Cb 0.31 0.39 0.20 0.00 -0.61 0.00 0.00 39.78 40.07 2h4v n ASN 874 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2h4v h LYS 875 N 2.67 1.11 0.00 3.52 1.79 -1.36 -0.71 116.57 123.59 2h4v h LYS 875 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2h4v h LYS 875 Cb 0.75 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2h4v h LYS 875 CO 0.00 0.74 0.00 -2.39 -1.08 0.00 0.00 179.45 176.72 2h4v n HIS 876 N -4.44 0.49 1.46 -1.35 1.44 -1.26 -2.58 115.22 108.98 2h4v n HIS 876 Ca 0.12 0.19 0.14 0.00 -2.01 0.00 0.00 57.72 56.16 2h4v n HIS 876 Cb 0.10 -0.80 0.55 0.00 0.12 0.00 0.00 29.99 29.96 2h4v n HIS 876 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2h4v n LYS 877 N -1.94 1.14 -4.01 -1.40 5.02 -0.28 -4.79 118.16 111.91 2h4v n LYS 877 Ca 0.03 -0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 55.41 2h4v n LYS 877 Cb 0.22 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 2h4v n LYS 877 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2h4v s ASN 878 N -2.25 5.37 0.18 4.39 0.01 -1.07 -4.55 114.94 117.03 2h4v s ASN 878 Ca 0.33 -0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 52.35 2h4v s ASN 878 Cb 0.20 -1.93 0.08 0.00 0.41 0.00 0.00 41.25 40.02 2h4v s ASN 878 CO 0.42 0.12 1.69 -0.09 -1.51 0.00 0.00 177.10 177.73 2h4v h ARG 879 N 7.11 1.02 -5.59 -0.60 2.43 -1.88 -3.42 114.38 113.44 2h4v h ARG 879 Ca -0.36 -0.24 -0.65 0.00 -0.81 0.00 0.00 59.98 57.91 2h4v h ARG 879 Cb 1.17 -0.13 -0.32 0.00 -0.42 0.00 0.00 29.97 30.27 2h4v h ARG 879 CO 0.65 0.92 -0.87 0.71 -1.51 0.00 0.00 179.97 179.87 2h4v s TYR 880 N -5.31 2.29 0.54 2.20 2.02 -1.26 -5.03 117.35 112.80 2h4v s TYR 880 Ca -0.12 -0.77 0.25 0.00 -0.37 0.00 0.00 57.07 56.05 2h4v s TYR 880 Cb 0.14 -1.52 1.57 0.00 -0.40 0.00 0.00 41.96 41.74 2h4v s TYR 880 CO 0.83 -0.27 2.18 -0.84 -1.57 0.00 0.00 175.55 175.88 2h4v h ILE 881 N 5.35 0.70 -0.43 2.71 3.07 -1.94 -2.66 117.51 124.30 2h4v h ILE 881 Ca -0.28 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2h4v h ILE 881 Cb 1.20 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2h4v h ILE 881 CO 0.47 0.03 0.00 -0.46 -1.05 0.00 0.00 178.15 177.15 2h4v n ASN 882 N -4.02 3.82 -4.01 2.16 6.94 -1.26 -4.81 115.26 114.08 2h4v n ASN 882 Ca -0.03 -2.42 -0.31 0.00 -0.02 0.00 0.00 54.58 51.80 2h4v n ASN 882 Cb 0.12 -0.44 -0.15 0.00 -2.36 0.00 0.00 39.78 36.95 2h4v n ASN 882 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2h4v s ILE 883 N -1.77 2.10 0.49 1.53 -1.09 -1.00 -5.10 121.20 116.36 2h4v s ILE 883 Ca 0.38 -2.03 0.06 0.00 -2.23 0.00 0.00 60.65 56.83 2h4v s ILE 883 Cb 0.25 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 2h4v s ILE 883 CO 0.17 -0.43 0.33 -0.76 -1.23 0.00 0.00 174.94 173.02 2h4v s LEU 884 N 1.03 2.90 -0.32 2.97 1.43 -1.26 -4.64 118.68 120.80 2h4v s LEU 884 Ca 0.05 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2h4v s LEU 884 Cb -0.19 -1.38 0.07 0.00 0.03 0.00 0.00 46.19 44.71 2h4v s LEU 884 CO -0.08 -0.89 0.02 0.00 0.23 0.00 0.00 176.35 175.63 2h4v s ALA 885 N -2.68 2.84 0.26 4.21 0.00 -1.26 -4.45 121.76 120.67 2h4v s ALA 885 Ca 0.37 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 2h4v s ALA 885 Cb -0.01 -1.96 -0.14 0.00 0.00 0.00 0.00 23.12 21.01 2h4v s ALA 885 CO 0.22 -1.41 1.22 0.66 0.00 0.00 0.00 175.76 176.44 2h4v n TYR 886 N 4.53 1.74 -0.22 0.00 4.01 -1.26 -4.62 117.16 121.34 2h4v n TYR 886 Ca -0.09 0.59 -0.05 0.00 -0.16 0.00 0.00 57.90 58.19 2h4v n TYR 886 Cb 0.43 -2.35 0.05 0.00 -0.31 0.00 0.00 39.34 37.16 2h4v n TYR 886 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2h4v h ASP 887 N 3.07 0.67 0.38 7.72 3.32 -1.29 -1.69 116.42 128.60 2h4v h ASP 887 Ca -0.43 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 2h4v h ASP 887 Cb 1.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2h4v h ASP 887 CO 0.68 0.47 -0.22 1.12 -1.72 0.00 0.00 179.24 179.57 2h4v h HIS 888 N 0.79 0.00 -0.03 4.55 2.07 -1.90 -3.02 115.15 117.62 2h4v h HIS 888 Ca 0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 2h4v h HIS 888 Cb -0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.95 2h4v h HIS 888 CO -0.04 0.22 0.00 -1.13 -3.07 0.00 0.00 177.93 173.91 2h4v n SER 889 N -3.88 1.67 -4.76 3.10 3.41 -1.15 -5.04 113.62 106.97 2h4v n SER 889 Ca -0.02 -1.36 -0.38 0.00 -0.26 0.00 0.00 58.87 56.85 2h4v n SER 889 Cb 0.31 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 2h4v n SER 889 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h4v s ARG 890 N -0.60 3.56 -0.09 4.33 1.70 -0.65 -0.51 118.95 126.70 2h4v s ARG 890 Ca 0.08 2.05 -0.30 0.00 -0.47 0.00 0.00 55.73 57.10 2h4v s ARG 890 Cb 0.06 -2.43 -0.01 0.00 -0.57 0.00 0.00 34.95 31.99 2h4v s ARG 890 CO 0.08 -0.79 1.02 0.08 -1.08 0.00 0.00 175.30 174.61 2h4v s VAL 891 N -1.38 4.75 -0.16 4.99 1.01 -0.47 -4.76 120.40 124.37 2h4v s VAL 891 Ca 0.65 2.01 -0.10 0.00 0.00 0.00 0.00 61.98 64.54 2h4v s VAL 891 Cb -0.35 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 2h4v s VAL 891 CO 0.43 0.02 0.18 -0.54 0.00 0.00 0.00 175.10 175.19 2h4v s LYS 892 N 1.95 4.02 0.35 2.72 1.02 -1.26 -4.20 119.74 124.33 2h4v s LYS 892 Ca 0.49 -0.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 2h4v s LYS 892 Cb -0.19 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 2h4v s LYS 892 CO 0.19 0.41 0.79 -0.51 -0.92 0.00 0.00 175.35 175.31 2h4v s LEU 893 N -0.00 4.04 0.32 3.17 1.43 -0.17 -5.03 118.68 122.44 2h4v s LEU 893 Ca 0.12 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.31 2h4v s LEU 893 Cb -0.12 -4.18 -0.11 0.00 0.03 0.00 0.00 46.19 41.81 2h4v s LEU 893 CO 0.01 -0.24 1.57 -0.13 0.23 0.00 0.00 176.35 177.80 2h4v s ARG 894 N -3.01 4.11 0.57 1.70 0.52 -1.26 -4.39 118.95 117.19 2h4v s ARG 894 Ca 0.56 2.59 -0.21 0.00 -0.52 0.00 0.00 55.73 58.15 2h4v s ARG 894 Cb -0.10 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 2h4v s ARG 894 CO 0.16 -0.62 1.33 -2.14 0.02 0.00 0.00 175.30 174.06 2h4v s PRO 895 N -0.96 3.03 -0.15 3.54 0.02 -1.26 -4.66 135.00 134.56 2h4v s PRO 895 Ca 0.60 2.17 -0.06 0.00 0.02 0.00 0.00 61.00 63.73 2h4v s PRO 895 Cb -0.48 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 2h4v s PRO 895 CO 0.53 -1.25 0.07 -0.51 -0.33 0.00 0.00 177.00 175.51 2h4v s LEU 896 N -3.71 3.94 0.00 -5.54 1.43 -1.26 -5.04 118.68 108.50 2h4v s LEU 896 Ca 0.74 0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.99 2h4v s LEU 896 Cb -0.39 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 2h4v s LEU 896 CO 0.45 0.28 1.01 -0.81 0.23 0.00 0.00 176.35 177.51 2h4v n PRO 897 N 2.82 0.00 0.00 1.29 -0.04 -1.26 -4.96 135.00 132.85 2h4v n PRO 897 Ca -0.18 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 2h4v n PRO 897 Cb 0.53 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2h4v n PRO 897 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2h4v n HIS 903 N 5.45 0.00 0.46 0.54 8.25 -1.26 -5.27 115.22 123.39 2h4v n HIS 903 Ca 0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.60 2h4v n HIS 903 Cb 0.08 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.46 2h4v n HIS 903 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2h4v n SER 904 N 0.00 0.00 -0.04 0.41 3.41 -1.26 -2.40 113.62 113.74 2h4v n SER 904 Ca 0.00 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.13 2h4v n SER 904 Cb 0.00 -0.43 0.68 0.00 -0.26 0.00 0.00 64.21 64.20 2h4v n SER 904 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2h4v n ASP 905 N -1.43 0.20 -4.75 4.04 5.75 -1.26 -4.70 116.55 114.40 2h4v n ASP 905 Ca 0.04 -0.30 -0.37 0.00 -0.01 0.00 0.00 54.79 54.15 2h4v n ASP 905 Cb 0.12 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 2h4v n ASP 905 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2h4v s TYR 906 N -2.56 3.54 -0.02 2.11 5.04 -1.01 -0.99 117.35 123.46 2h4v s TYR 906 Ca 0.28 0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 55.66 2h4v s TYR 906 Cb 0.20 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 40.10 2h4v s TYR 906 CO 0.48 0.30 0.11 -1.50 -1.34 0.00 0.00 175.55 173.59 2h4v s ILE 907 N 0.19 0.04 -1.17 3.14 2.07 -1.26 -4.93 121.20 119.27 2h4v s ILE 907 Ca 0.22 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.96 2h4v s ILE 907 Cb -0.15 -0.26 0.08 0.00 0.13 0.00 0.00 42.46 42.26 2h4v s ILE 907 CO 0.09 -0.17 1.58 0.21 -1.91 0.00 0.00 174.94 174.73 2h4v s ASN 908 N -0.53 6.73 -0.15 4.50 3.84 -1.26 -4.65 114.94 123.43 2h4v s ASN 908 Ca -0.06 -2.14 -0.26 0.00 0.21 0.00 0.00 52.86 50.61 2h4v s ASN 908 Cb -0.04 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.18 2h4v s ASN 908 CO 0.00 -1.24 0.65 0.00 -2.79 0.00 0.00 177.10 173.72 2h4v s ALA 909 N 4.14 -1.64 0.03 1.71 0.00 -1.26 -3.15 121.76 121.58 2h4v s ALA 909 Ca 0.49 1.52 0.03 0.00 0.00 0.00 0.00 51.96 54.00 2h4v s ALA 909 Cb 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2h4v s ALA 909 CO 0.00 -0.34 -0.10 -0.80 0.00 0.00 0.00 175.76 174.53 2h4v s ASN 910 N -0.45 1.17 0.33 0.00 -0.87 0.07 -1.37 114.94 113.83 2h4v s ASN 910 Ca -0.06 -0.38 -0.28 0.00 -1.57 0.00 0.00 52.86 50.57 2h4v s ASN 910 Cb -0.03 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.25 41.05 2h4v s ASN 910 CO 0.05 -0.02 1.22 -0.31 -2.57 0.00 0.00 177.10 175.47 2h4v s TYR 911 N -0.80 3.19 -0.02 2.20 2.02 0.34 -0.64 117.35 123.64 2h4v s TYR 911 Ca -0.01 1.52 0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2h4v s TYR 911 Cb -0.07 -3.51 0.01 0.00 -0.40 0.00 0.00 41.96 37.99 2h4v s TYR 911 CO 0.01 -1.39 -0.02 0.08 -1.57 0.00 0.00 175.55 172.65 2h4v s VAL 912 N -1.21 0.28 0.69 0.71 1.01 -0.11 -4.76 120.40 117.03 2h4v s VAL 912 Ca 0.50 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 2h4v s VAL 912 Cb -0.36 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2h4v s VAL 912 CO 0.47 0.13 1.14 -1.81 0.00 0.00 0.00 175.10 175.03 2h4v s ASP 913 N 0.55 4.74 0.00 3.32 1.01 -1.26 -1.40 116.67 123.63 2h4v s ASP 913 Ca -0.06 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.31 2h4v s ASP 913 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2h4v s ASP 913 CO -0.01 -1.88 0.00 0.61 0.21 0.00 0.00 175.17 174.10 2h4v n GLY 914 N -0.23 3.40 3.57 0.21 0.00 0.25 -4.74 105.19 107.66 2h4v n GLY 914 Ca 0.11 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2h4v n GLY 914 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2h4v n TYR 915 N -0.39 1.82 0.00 1.61 -0.00 -1.26 -3.59 117.16 115.34 2h4v n TYR 915 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2h4v n TYR 915 Cb 0.00 -2.69 0.00 0.00 -0.00 0.00 0.00 39.34 36.65 2h4v n TYR 915 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2h4v n ASN 916 N 12.25 0.00 -4.20 2.98 5.15 -1.26 -4.92 115.26 125.27 2h4v n ASN 916 Ca 0.33 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.97 2h4v n ASN 916 Cb 0.44 -0.32 -0.16 0.00 -0.53 0.00 0.00 39.78 39.21 2h4v n ASN 916 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2h4v s LYS 917 N 0.00 3.12 0.38 1.20 2.20 -1.24 -5.10 119.74 120.31 2h4v s LYS 917 Ca 0.00 -0.78 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 2h4v s LYS 917 Cb 0.00 -2.65 -0.10 0.00 -1.51 0.00 0.00 37.83 33.57 2h4v s LYS 917 CO 0.00 -0.13 1.36 0.00 -0.36 0.00 0.00 175.35 176.22 2h4v s ALA 918 N 1.15 3.40 -1.46 3.13 0.00 -1.26 -0.58 121.76 126.14 2h4v s ALA 918 Ca 0.01 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 2h4v s ALA 918 Cb -0.14 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2h4v s ALA 918 CO -0.07 -0.87 0.84 1.63 0.00 0.00 0.00 175.76 177.29 2h4v n LYS 919 N 0.36 -5.67 0.23 0.00 5.02 -1.25 -4.86 118.16 112.00 2h4v n LYS 919 Ca 0.02 0.74 0.08 0.00 -2.02 0.00 0.00 58.31 57.13 2h4v n LYS 919 Cb 0.42 -5.65 0.54 0.00 -0.02 0.00 0.00 35.03 30.32 2h4v n LYS 919 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h4v h ALA 920 N 1.00 1.36 -2.50 7.82 0.00 -1.40 -3.40 119.26 122.14 2h4v h ALA 920 Ca -0.54 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 53.80 2h4v h ALA 920 Cb 1.36 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2h4v h ALA 920 CO 0.59 0.28 -0.73 0.71 0.00 0.00 0.00 179.25 180.10 2h4v s TYR 921 N -4.22 1.30 -0.24 0.00 2.02 -0.49 -1.82 117.35 113.90 2h4v s TYR 921 Ca -0.03 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.98 2h4v s TYR 921 Cb 0.14 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 41.04 2h4v s TYR 921 CO 0.66 0.11 -0.04 0.42 -1.57 0.00 0.00 175.55 175.12 2h4v s ILE 922 N -2.80 3.17 -0.22 2.71 1.01 -0.12 -0.93 121.20 124.02 2h4v s ILE 922 Ca 0.13 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2h4v s ILE 922 Cb -0.01 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2h4v s ILE 922 CO 0.02 0.30 0.31 0.00 0.00 0.00 0.00 174.94 175.56 2h4v s ALA 923 N 1.41 3.58 0.12 9.38 0.00 0.19 -0.42 121.76 136.01 2h4v s ALA 923 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 2h4v s ALA 923 Cb -0.15 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 2h4v s ALA 923 CO -0.04 -0.31 0.18 -0.08 0.00 0.00 0.00 175.76 175.51 2h4v s THR 924 N 1.32 0.12 0.78 0.00 -1.32 -0.55 -0.75 115.64 115.25 2h4v s THR 924 Ca 0.14 -1.42 -0.11 0.00 -1.21 0.00 0.00 61.69 59.09 2h4v s THR 924 Cb -0.14 -1.63 0.06 0.00 -1.51 0.00 0.00 72.50 69.28 2h4v s THR 924 CO 0.07 -0.55 1.09 0.00 -2.21 0.00 0.00 174.62 173.02 2h4v s GLN 925 N -3.93 2.21 0.10 7.08 -2.07 -1.19 -3.72 119.66 118.13 2h4v s GLN 925 Ca 0.12 0.82 -0.31 0.00 -1.82 0.00 0.00 55.36 54.17 2h4v s GLN 925 Cb 0.05 -1.92 -0.10 0.00 -1.09 0.00 0.00 33.01 29.96 2h4v s GLN 925 CO -0.05 -1.58 1.81 0.20 -1.32 0.00 0.00 175.29 174.34 2h4v s GLY 926 N -3.74 1.41 0.68 2.60 0.00 0.63 -4.81 107.32 104.09 2h4v s GLY 926 Ca 0.60 1.37 -0.16 0.00 0.00 0.00 0.00 44.72 46.53 2h4v s GLY 926 CO 0.55 3.13 1.20 2.56 0.00 0.00 0.00 173.10 180.54 2h4v s PRO 927 N 2.98 2.48 0.25 2.90 0.04 -1.26 -4.73 135.00 137.66 2h4v s PRO 927 Ca 0.80 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.60 2h4v s PRO 927 Cb -0.44 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2h4v s PRO 927 CO 0.36 -1.57 0.43 -0.51 0.04 0.00 0.00 177.00 175.74 2h4v s LEU 928 N -4.77 4.19 0.30 -3.56 1.43 -1.26 -2.69 118.68 112.32 2h4v s LEU 928 Ca 0.75 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.23 2h4v s LEU 928 Cb -0.29 -3.13 0.73 0.00 0.03 0.00 0.00 46.19 43.54 2h4v s LEU 928 CO 0.41 -0.12 1.77 0.11 0.23 0.00 0.00 176.35 178.75 2h4v h LYS 929 N 1.43 0.72 0.00 1.70 1.57 -1.95 0.19 116.57 120.23 2h4v h LYS 929 Ca -0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2h4v h LYS 929 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2h4v h LYS 929 CO 0.64 0.48 0.00 -1.13 -0.57 0.00 0.00 179.45 178.87 2h4v n SER 930 N -4.78 0.06 -0.13 0.86 3.41 -1.26 -2.98 113.62 108.79 2h4v n SER 930 Ca 0.23 0.51 0.01 0.00 -0.26 0.00 0.00 58.87 59.37 2h4v n SER 930 Cb 0.57 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2h4v n SER 930 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h4v n THR 931 N -1.56 0.78 -0.23 6.66 -2.24 0.58 -4.75 114.28 113.52 2h4v n THR 931 Ca 0.04 -0.89 -0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2h4v n THR 931 Cb 0.20 0.62 0.11 0.00 -2.10 0.00 0.00 70.33 69.17 2h4v n THR 931 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2h4v h PHE 932 N 0.45 0.58 -0.35 4.78 0.04 -1.19 0.94 116.94 122.20 2h4v h PHE 932 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2h4v h PHE 932 Cb 0.45 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2h4v h PHE 932 CO 0.04 0.23 0.20 0.93 -0.60 0.00 0.00 178.31 179.11 2h4v h GLU 933 N 0.57 0.48 -0.45 1.51 5.08 -1.85 -1.56 114.58 118.36 2h4v h GLU 933 Ca 0.32 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2h4v h GLU 933 Cb 0.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2h4v h GLU 933 CO -0.24 0.38 0.28 -0.44 -1.00 0.00 0.00 179.01 177.98 2h4v h ASP 934 N 0.45 0.48 0.15 1.42 3.32 -1.77 -0.89 116.42 119.57 2h4v h ASP 934 Ca 0.12 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2h4v h ASP 934 Cb 0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2h4v h ASP 934 CO -0.02 0.34 -0.19 0.15 -1.72 0.00 0.00 179.24 177.80 2h4v h PHE 935 N 0.57 -0.50 -0.11 4.55 3.57 -0.54 0.21 116.94 124.69 2h4v h PHE 935 Ca 0.17 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 2h4v h PHE 935 Cb -0.03 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2h4v h PHE 935 CO -0.06 -0.28 -0.37 -1.49 -2.23 0.00 0.00 178.31 173.88 2h4v h TRP 936 N -0.39 0.27 -0.63 0.41 4.06 -1.23 -1.70 115.95 116.75 2h4v h TRP 936 Ca 0.01 -0.07 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 2h4v h TRP 936 Cb 0.39 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2h4v h TRP 936 CO -0.17 0.58 0.07 -0.09 -3.56 0.00 0.00 178.44 175.27 2h4v h ARG 937 N 0.20 1.06 -0.32 0.49 2.43 -0.94 -0.67 114.38 116.63 2h4v h ARG 937 Ca 0.02 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 2h4v h ARG 937 Cb 0.75 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2h4v h ARG 937 CO 0.06 1.00 0.14 1.98 -1.51 0.00 0.00 179.97 181.63 2h4v h MET 938 N 0.96 0.29 -0.96 0.20 4.05 -0.60 0.18 114.93 119.05 2h4v h MET 938 Ca 0.19 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2h4v h MET 938 Cb 0.47 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 2h4v h MET 938 CO 0.02 0.19 0.63 0.82 0.23 0.00 0.00 176.91 178.80 2h4v h ILE 939 N 0.29 1.21 0.48 1.77 2.04 -0.99 0.39 117.51 122.71 2h4v h ILE 939 Ca 0.14 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2h4v h ILE 939 Cb 0.08 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 2h4v h ILE 939 CO -0.12 0.23 -0.23 -0.25 0.00 0.00 0.00 178.15 177.78 2h4v h TRP 940 N 1.26 -0.60 -0.20 1.37 2.91 -0.69 -2.41 115.95 117.57 2h4v h TRP 940 Ca 0.37 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.35 2h4v h TRP 940 Cb -0.07 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 2h4v h TRP 940 CO -0.00 -0.29 0.04 0.93 -1.03 0.00 0.00 178.44 178.09 2h4v h GLU 941 N -0.89 0.29 -0.00 2.65 5.08 -0.37 -2.51 114.58 118.83 2h4v h GLU 941 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2h4v h GLU 941 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2h4v h GLU 941 CO 0.11 0.28 -0.23 1.04 -1.00 0.00 0.00 179.01 179.21 2h4v n GLN 942 N -4.41 0.58 -2.54 2.33 1.13 0.10 -4.95 117.38 109.63 2h4v n GLN 942 Ca 0.00 -0.28 -0.18 0.00 -1.94 0.00 0.00 57.00 54.60 2h4v n GLN 942 Cb 0.15 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.02 2h4v n GLN 942 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2h4v n ASN 943 N -0.97 -5.25 -4.74 1.08 5.15 -0.95 -3.90 115.26 105.69 2h4v n ASN 943 Ca 0.11 -0.10 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 2h4v n ASN 943 Cb 0.32 -4.25 -0.03 0.00 -0.53 0.00 0.00 39.78 35.29 2h4v n ASN 943 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2h4v s THR 944 N -2.95 3.50 -0.20 -0.44 2.01 -0.93 -0.19 115.64 116.44 2h4v s THR 944 Ca 0.09 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.40 2h4v s THR 944 Cb -0.04 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 2h4v s THR 944 CO 0.11 0.19 0.21 0.61 -0.69 0.00 0.00 174.62 175.06 2h4v n GLY 945 N 2.25 0.32 2.89 4.40 0.00 -1.26 -4.85 105.19 108.93 2h4v n GLY 945 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2h4v n GLY 945 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h4v s ILE 946 N -1.71 0.36 -0.12 -0.61 -1.09 -1.26 -1.18 121.20 115.58 2h4v s ILE 946 Ca 0.01 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2h4v s ILE 946 Cb 0.04 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.53 2h4v s ILE 946 CO 0.23 0.16 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.32 2h4v s ILE 947 N 0.60 2.89 -0.26 2.92 1.01 -0.13 -1.73 121.20 126.50 2h4v s ILE 947 Ca -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 2h4v s ILE 947 Cb -0.10 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2h4v s ILE 947 CO -0.01 0.53 -0.01 -0.69 0.00 0.00 0.00 174.94 174.76 2h4v s VAL 948 N 0.34 3.25 -0.16 2.92 1.01 0.15 0.07 120.40 127.97 2h4v s VAL 948 Ca -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2h4v s VAL 948 Cb -0.16 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2h4v s VAL 948 CO 0.06 0.15 -0.11 -0.32 0.00 0.00 0.00 175.10 174.89 2h4v s MET 949 N 1.38 3.36 -0.40 2.72 0.00 0.40 -0.90 119.30 125.86 2h4v s MET 949 Ca 0.01 -0.67 0.09 0.00 0.00 0.00 0.00 55.69 55.11 2h4v s MET 949 Cb -0.17 -2.75 0.43 0.00 0.00 0.00 0.00 34.83 32.35 2h4v s MET 949 CO -0.02 0.06 1.07 -0.89 0.00 0.00 0.00 175.02 175.24 2h4v n ILE 950 N 3.99 2.00 -3.56 10.11 5.41 -0.04 -0.75 119.36 136.52 2h4v n ILE 950 Ca -0.18 -4.41 -0.14 0.00 1.00 0.00 0.00 62.75 59.02 2h4v n ILE 950 Cb 0.52 -0.73 -0.05 0.00 -0.71 0.00 0.00 39.64 38.67 2h4v n ILE 950 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2h4v s THR 951 N -4.87 0.03 0.51 1.39 -1.32 -1.25 -4.72 115.64 105.41 2h4v s THR 951 Ca 0.42 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.61 2h4v s THR 951 Cb 0.42 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 2h4v s THR 951 CO -0.12 -0.12 0.86 0.20 -2.21 0.00 0.00 174.62 173.23 2h4v s ASN 952 N -2.01 6.32 0.22 8.08 -0.87 -1.26 -4.83 114.94 120.58 2h4v s ASN 952 Ca -0.05 1.13 -0.09 0.00 -1.57 0.00 0.00 52.86 52.27 2h4v s ASN 952 Cb -0.01 -2.33 0.17 0.00 -0.02 0.00 0.00 41.25 39.06 2h4v s ASN 952 CO -0.02 -0.62 1.87 -0.07 -2.57 0.00 0.00 177.10 175.68 2h4v h LEU 953 N 0.30 0.95 -8.19 0.60 3.38 -1.96 -3.40 115.31 106.99 2h4v h LEU 953 Ca -0.46 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 56.89 2h4v h LEU 953 Cb 1.20 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.39 2h4v h LEU 953 CO 0.62 0.72 -0.84 -0.69 0.09 0.00 0.00 178.44 178.34 2h4v s VAL 954 N -6.03 1.46 -0.08 1.22 1.01 -1.26 -0.30 120.40 116.41 2h4v s VAL 954 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2h4v s VAL 954 Cb 0.15 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2h4v s VAL 954 CO 0.79 0.42 -0.10 -1.61 0.00 0.00 0.00 175.10 174.61 2h4v s GLU 955 N 0.23 1.59 -1.61 2.72 2.02 -0.19 -4.78 118.70 118.67 2h4v s GLU 955 Ca -0.09 -0.33 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 2h4v s GLU 955 Cb -0.13 -1.45 0.11 0.00 0.10 0.00 0.00 34.13 32.75 2h4v s GLU 955 CO 0.04 -0.10 0.67 1.17 0.02 0.00 0.00 175.26 177.06 2h4v n LYS 956 N 4.29 -3.26 -0.97 1.61 4.81 -1.26 -1.01 118.16 122.36 2h4v n LYS 956 Ca -0.19 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2h4v n LYS 956 Cb 0.51 -4.91 0.00 0.00 0.02 0.00 0.00 35.03 30.65 2h4v n LYS 956 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2h4v n GLY 957 N -1.62 0.80 3.54 3.14 0.00 -1.26 -5.00 105.19 104.78 2h4v n GLY 957 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2h4v n GLY 957 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h4v s ARG 958 N -0.10 3.52 -0.02 1.61 0.52 -0.18 -5.08 118.95 119.22 2h4v s ARG 958 Ca 0.00 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 2h4v s ARG 958 Cb 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 2h4v s ARG 958 CO 0.00 0.34 1.40 0.50 0.02 0.00 0.00 175.30 177.57 2h4v s ARG 959 N 0.10 4.27 -0.04 3.54 6.06 -1.26 -1.03 118.95 130.59 2h4v s ARG 959 Ca -0.00 1.95 0.09 0.00 -2.50 0.00 0.00 55.73 55.26 2h4v s ARG 959 Cb -0.13 -3.62 -0.13 0.00 0.06 0.00 0.00 34.95 31.13 2h4v s ARG 959 CO 0.03 -0.60 0.13 1.63 -2.50 0.00 0.00 175.30 173.98 2h4v n LYS 960 N 5.61 1.30 -3.60 5.12 4.76 0.58 -4.95 118.16 126.98 2h4v n LYS 960 Ca 0.13 -0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 2h4v n LYS 960 Cb 0.44 -1.22 -0.07 0.00 -1.84 0.00 0.00 35.03 32.34 2h4v n LYS 960 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h4v s ASP 962 N -0.19 6.51 -0.65 0.00 1.11 -1.10 -4.62 116.67 117.75 2h4v s ASP 962 Ca -0.02 0.69 -0.27 0.00 0.18 0.00 0.00 52.55 53.12 2h4v s ASP 962 Cb -0.03 -2.13 0.03 0.00 1.07 0.00 0.00 42.92 41.86 2h4v s ASP 962 CO 0.02 -0.03 1.19 -1.58 1.18 0.00 0.00 175.17 175.95 2h4v s GLN 963 N -2.89 3.35 0.00 8.23 0.74 -1.26 -4.71 119.66 123.11 2h4v s GLN 963 Ca 0.43 -0.05 0.16 0.00 0.05 0.00 0.00 55.36 55.96 2h4v s GLN 963 Cb -0.12 -4.10 0.55 0.00 1.10 0.00 0.00 33.01 30.45 2h4v s GLN 963 CO 0.25 -1.86 1.42 2.48 -0.55 0.00 0.00 175.29 177.03 2h4v n TYR 964 N 8.69 0.34 -4.25 1.67 0.18 -1.26 -4.88 117.16 117.65 2h4v n TYR 964 Ca 0.05 -0.17 -0.18 0.00 1.88 0.00 0.00 57.90 59.48 2h4v n TYR 964 Cb 0.49 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 2h4v n TYR 964 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2h4v s TRP 965 N -1.66 1.42 0.20 -3.48 -2.14 -1.26 -5.05 118.94 106.97 2h4v s TRP 965 Ca 0.29 -0.57 -0.30 0.00 2.66 0.00 0.00 56.10 58.18 2h4v s TRP 965 Cb 0.15 -0.73 -0.08 0.00 -3.10 0.00 0.00 33.47 29.71 2h4v s TRP 965 CO 0.22 0.16 1.22 -1.25 -2.66 0.00 0.00 176.95 174.64 2h4v s PRO 966 N -2.80 4.47 0.33 3.25 0.04 -1.26 -4.93 135.00 134.10 2h4v s PRO 966 Ca 0.10 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2h4v s PRO 966 Cb -0.04 -3.21 0.59 0.00 0.04 0.00 0.00 34.50 31.88 2h4v s PRO 966 CO 0.03 -0.11 1.90 1.15 0.04 0.00 0.00 177.00 180.01 2h4v h THR 967 N 3.65 1.19 -3.01 1.26 2.02 -1.97 -3.45 112.91 112.61 2h4v h THR 967 Ca -0.45 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 2h4v h THR 967 Cb 1.21 0.78 -0.20 0.00 -1.74 0.00 0.00 68.15 68.21 2h4v h THR 967 CO 0.74 0.25 -0.25 -0.70 0.37 0.00 0.00 175.52 175.93 2h4v s GLU 968 N -5.14 0.71 5.31 6.66 2.12 -1.26 -5.04 118.70 122.05 2h4v s GLU 968 Ca -0.08 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2h4v s GLU 968 Cb 0.16 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2h4v s GLU 968 CO 0.77 -0.20 0.00 0.09 -0.54 0.00 0.00 175.26 175.38 2h4v n ASN 969 N 1.16 0.00 -4.54 -1.70 3.02 -1.26 -4.79 115.26 107.15 2h4v n ASN 969 Ca -0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.10 2h4v n ASN 969 Cb 0.56 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.64 2h4v n ASN 969 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2h4v s SER 970 N -4.00 3.97 -0.03 6.41 0.01 -1.26 -0.79 113.70 118.00 2h4v s SER 970 Ca 0.00 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 2h4v s SER 970 Cb 0.00 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.72 2h4v s SER 970 CO 0.00 0.04 0.15 -1.61 0.41 0.00 0.00 173.24 172.23 2h4v s GLU 971 N -3.43 0.33 -0.19 12.44 0.41 0.04 -4.95 118.70 123.36 2h4v s GLU 971 Ca 0.29 -0.07 -0.08 0.00 -0.41 0.00 0.00 54.97 54.70 2h4v s GLU 971 Cb -0.06 0.14 -0.04 0.00 -1.78 0.00 0.00 34.13 32.39 2h4v s GLU 971 CO 0.16 -0.07 0.08 -2.00 -0.49 0.00 0.00 175.26 172.95 2h4v s GLU 972 N -0.61 4.03 -0.48 1.61 2.12 -1.26 -0.55 118.70 123.56 2h4v s GLU 972 Ca -0.07 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2h4v s GLU 972 Cb -0.04 -3.27 0.14 0.00 0.26 0.00 0.00 34.13 31.22 2h4v s GLU 972 CO 0.01 0.28 0.27 0.71 -0.54 0.00 0.00 175.26 175.99 2h4v s TYR 973 N 0.36 2.43 0.00 5.30 2.02 0.11 -5.00 117.35 122.57 2h4v s TYR 973 Ca 0.04 -2.71 0.00 0.00 -0.37 0.00 0.00 57.07 54.03 2h4v s TYR 973 Cb -0.12 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2h4v s TYR 973 CO -0.00 -0.75 0.00 0.41 -1.57 0.00 0.00 175.55 173.63 2h4v n GLY 974 N 3.27 4.06 0.21 0.71 0.00 -1.26 -2.07 105.19 110.11 2h4v n GLY 974 Ca 0.09 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.30 2h4v n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h4v n ASN 975 N 7.25 0.67 -4.45 1.61 3.02 -1.26 -4.76 115.26 117.34 2h4v n ASN 975 Ca 0.00 -1.23 -0.35 0.00 -0.03 0.00 0.00 54.58 52.97 2h4v n ASN 975 Cb 0.00 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 2h4v n ASN 975 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h4v s ILE 976 N -2.00 4.09 -0.20 2.41 -1.09 -0.88 -0.42 121.20 123.11 2h4v s ILE 976 Ca 0.43 -0.26 -0.08 0.00 -2.23 0.00 0.00 60.65 58.51 2h4v s ILE 976 Cb 0.21 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2h4v s ILE 976 CO 0.35 0.40 0.08 -0.63 -1.23 0.00 0.00 174.94 173.91 2h4v s ILE 977 N 1.20 4.85 -0.17 2.92 1.01 -0.19 0.07 121.20 130.89 2h4v s ILE 977 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2h4v s ILE 977 Cb -0.14 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 2h4v s ILE 977 CO 0.02 0.43 -0.11 -0.69 0.00 0.00 0.00 174.94 174.59 2h4v s VAL 978 N 0.62 3.04 -0.14 2.92 1.01 0.29 -1.55 120.40 126.60 2h4v s VAL 978 Ca 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2h4v s VAL 978 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2h4v s VAL 978 CO 0.01 0.49 -0.16 -0.89 0.00 0.00 0.00 175.10 174.55 2h4v s THR 979 N 0.91 2.71 -0.33 3.92 2.01 -0.18 -0.78 115.64 123.89 2h4v s THR 979 Ca -0.02 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 2h4v s THR 979 Cb -0.15 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.25 2h4v s THR 979 CO -0.00 0.53 0.94 -0.22 -0.69 0.00 0.00 174.62 175.17 2h4v s LEU 980 N 0.54 4.00 -0.12 4.42 2.96 0.03 -1.37 118.68 129.14 2h4v s LEU 980 Ca -0.10 0.77 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 2h4v s LEU 980 Cb -0.16 -3.31 -0.26 0.00 0.50 0.00 0.00 46.19 42.96 2h4v s LEU 980 CO 0.04 -0.80 0.52 0.11 -1.32 0.00 0.00 176.35 174.90 2h4v h LYS 981 N 8.24 0.20 -2.38 1.98 1.79 -0.89 -3.39 116.57 122.13 2h4v h LYS 981 Ca -0.23 -0.34 0.06 0.00 -2.18 0.00 0.00 60.65 57.96 2h4v h LYS 981 Cb 1.08 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 31.70 2h4v h LYS 981 CO 0.97 1.16 0.39 -1.54 -1.08 0.00 0.00 179.45 179.36 2h4v s SER 982 N -6.95 -0.45 -0.01 0.86 1.04 -1.16 -5.01 113.70 102.01 2h4v s SER 982 Ca -0.21 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2h4v s SER 982 Cb 0.04 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2h4v s SER 982 CO 0.74 -0.69 -0.02 -0.89 0.98 0.00 0.00 173.24 173.36 2h4v s THR 983 N -2.91 0.23 -0.11 2.02 2.01 -1.26 -1.27 115.64 114.35 2h4v s THR 983 Ca 0.02 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2h4v s THR 983 Cb -0.01 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.29 2h4v s THR 983 CO -0.07 0.09 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.07 2h4v s LYS 984 N 0.23 2.03 -0.41 4.92 2.20 -0.18 -5.00 119.74 123.53 2h4v s LYS 984 Ca -0.02 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 55.03 2h4v s LYS 984 Cb -0.05 -1.82 0.08 0.00 -1.51 0.00 0.00 37.83 34.53 2h4v s LYS 984 CO -0.01 -0.14 0.24 0.42 -0.36 0.00 0.00 175.35 175.51 2h4v s ILE 985 N 1.22 4.09 0.74 5.43 1.01 -1.26 -0.68 121.20 131.74 2h4v s ILE 985 Ca -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 60.65 59.12 2h4v s ILE 985 Cb -0.14 -3.52 0.12 0.00 0.01 0.00 0.00 42.46 38.92 2h4v s ILE 985 CO -0.05 -0.51 1.02 -1.00 0.00 0.00 0.00 174.94 174.41 2h4v s HIS 986 N 1.39 1.95 0.20 3.97 3.76 0.82 -5.00 115.29 122.38 2h4v s HIS 986 Ca 0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 54.81 2h4v s HIS 986 Cb -0.23 -3.18 0.25 0.00 1.11 0.00 0.00 32.58 30.53 2h4v s HIS 986 CO 0.01 -1.72 1.76 0.00 -0.85 0.00 0.00 174.74 173.95 2h4v h ALA 987 N -0.65 0.78 -0.00 -1.40 0.00 -2.03 -3.29 119.26 112.67 2h4v h ALA 987 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2h4v h ALA 987 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2h4v h ALA 987 CO 0.44 -0.14 -0.18 0.00 0.00 0.00 0.00 179.25 179.38 2h4v s TYR 989 N -1.20 -0.21 -0.02 0.00 -0.85 -1.24 -1.14 117.35 112.70 2h4v s TYR 989 Ca 0.03 0.01 0.08 0.00 -0.52 0.00 0.00 57.07 56.67 2h4v s TYR 989 Cb 0.04 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 2h4v s TYR 989 CO 0.17 -0.63 -0.25 0.99 -1.52 0.00 0.00 175.55 174.32 2h4v s THR 990 N -3.18 1.97 -0.18 -3.49 2.01 0.46 -0.13 115.64 113.11 2h4v s THR 990 Ca -0.01 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2h4v s THR 990 Cb 0.01 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 2h4v s THR 990 CO -0.07 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 2h4v s VAL 991 N -0.59 2.94 -0.15 3.82 1.01 0.14 -0.19 120.40 127.38 2h4v s VAL 991 Ca 0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2h4v s VAL 991 Cb -0.10 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2h4v s VAL 991 CO -0.01 0.49 -0.13 -0.13 0.00 0.00 0.00 175.10 175.32 2h4v s ARG 992 N 1.01 3.32 -0.24 2.72 0.52 -0.05 -1.01 118.95 125.22 2h4v s ARG 992 Ca -0.01 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 54.41 2h4v s ARG 992 Cb -0.15 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2h4v s ARG 992 CO -0.02 0.09 0.13 0.50 0.02 0.00 0.00 175.30 176.02 2h4v s ARG 993 N 0.66 3.91 0.22 3.54 3.52 -0.40 -0.25 118.95 130.16 2h4v s ARG 993 Ca -0.07 -0.35 0.11 0.00 -0.13 0.00 0.00 55.73 55.29 2h4v s ARG 993 Cb -0.15 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2h4v s ARG 993 CO 0.02 -0.04 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.25 2h4v s PHE 994 N 1.29 2.42 -0.10 5.12 0.08 0.37 -0.16 117.98 127.00 2h4v s PHE 994 Ca 0.06 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2h4v s PHE 994 Cb -0.14 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2h4v s PHE 994 CO 0.06 0.57 -0.09 0.45 -0.10 0.00 0.00 175.22 176.10 2h4v s SER 995 N -3.02 4.41 0.07 1.36 0.15 -0.47 -1.13 113.70 115.07 2h4v s SER 995 Ca 0.25 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.84 2h4v s SER 995 Cb -0.07 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 2h4v s SER 995 CO 0.13 0.27 -0.24 0.27 1.20 0.00 0.00 173.24 174.87 2h4v s ILE 996 N -0.25 1.98 -0.01 6.45 -4.36 0.95 -1.01 121.20 124.95 2h4v s ILE 996 Ca 0.03 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 2h4v s ILE 996 Cb -0.13 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 41.86 2h4v s ILE 996 CO 0.03 0.20 -0.04 -0.60 0.24 0.00 0.00 174.94 174.77 2h4v s ARG 997 N -1.51 0.42 -0.27 0.37 3.52 -0.59 -0.58 118.95 120.30 2h4v s ARG 997 Ca 0.10 -0.10 -0.13 0.00 -0.13 0.00 0.00 55.73 55.47 2h4v s ARG 997 Cb -0.10 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.80 2h4v s ARG 997 CO 0.03 0.02 0.30 1.21 -0.81 0.00 0.00 175.30 176.05 2h4v s ASN 998 N 0.29 6.15 0.00 -2.12 3.84 -1.26 -1.02 114.94 120.82 2h4v s ASN 998 Ca -0.03 0.16 0.28 0.00 0.21 0.00 0.00 52.86 53.48 2h4v s ASN 998 Cb -0.06 -2.17 1.07 0.00 -0.55 0.00 0.00 41.25 39.54 2h4v s ASN 998 CO -0.00 -0.13 1.76 0.35 -2.79 0.00 0.00 177.10 176.29 2h4v n THR 999 N 5.09 0.00 0.61 -5.21 -2.24 0.44 -5.00 114.28 107.97 2h4v n THR 999 Ca -0.11 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2h4v n THR 999 Cb 0.51 0.05 0.32 0.00 -2.10 0.00 0.00 70.33 69.10 2h4v n THR 999 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2h4v n LYS 1000N -0.89 0.27 -4.30 -0.78 4.01 -1.26 -5.13 118.16 110.08 2h4v n LYS 1000Ca 0.13 0.16 -0.18 0.00 -0.51 0.00 0.00 58.31 57.92 2h4v n LYS 1000Cb 0.30 -1.76 -0.15 0.00 -0.51 0.00 0.00 35.03 32.92 2h4v n LYS 1000CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2h4v s GLU 1015N -3.12 0.64 0.02 1.97 2.02 -1.26 -5.20 118.70 113.76 2h4v s GLU 1015Ca 0.09 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.81 2h4v s GLU 1015Cb 0.13 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 2h4v s GLU 1015CO 0.64 0.17 -0.06 1.03 0.02 0.00 0.00 175.26 177.06 2h4v s ARG 1016N -0.20 0.45 0.03 1.61 0.52 0.25 -4.96 118.95 116.64 2h4v s ARG 1016Ca 0.03 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 2h4v s ARG 1016Cb -0.03 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 2h4v s ARG 1016CO -0.00 0.07 0.95 0.08 0.02 0.00 0.00 175.30 176.42 2h4v s VAL 1017N -0.71 4.78 -0.08 3.52 1.01 -1.26 -0.04 120.40 127.62 2h4v s VAL 1017Ca -0.04 2.01 0.02 0.00 0.00 0.00 0.00 61.98 63.97 2h4v s VAL 1017Cb -0.06 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2h4v s VAL 1017CO 0.00 0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 2h4v s VAL 1018N 0.70 1.24 -0.15 2.92 1.01 -0.29 -4.73 120.40 121.09 2h4v s VAL 1018Ca 0.49 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2h4v s VAL 1018Cb -0.21 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2h4v s VAL 1018CO 0.28 0.38 -0.05 -0.63 0.00 0.00 0.00 175.10 175.08 2h4v s ILE 1019N 0.83 3.73 -0.22 2.22 1.01 -0.32 -0.48 121.20 127.97 2h4v s ILE 1019Ca -0.11 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2h4v s ILE 1019Cb -0.15 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 2h4v s ILE 1019CO 0.02 0.49 0.06 -1.58 0.00 0.00 0.00 174.94 173.93 2h4v s GLN 1020N 0.42 3.75 -0.37 2.79 0.74 0.66 -0.95 119.66 126.70 2h4v s GLN 1020Ca -0.05 -0.44 -0.12 0.00 0.05 0.00 0.00 55.36 54.80 2h4v s GLN 1020Cb -0.15 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.73 2h4v s GLN 1020CO 0.03 -0.01 0.23 0.71 -0.55 0.00 0.00 175.29 175.70 2h4v s TYR 1021N 1.12 3.23 -0.31 1.67 2.02 0.11 -0.87 117.35 124.32 2h4v s TYR 1021Ca 0.04 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 2h4v s TYR 1021Cb -0.14 -2.47 0.07 0.00 -0.40 0.00 0.00 41.96 39.02 2h4v s TYR 1021CO 0.03 -0.58 0.00 -1.58 -1.57 0.00 0.00 175.55 171.85 2h4v s HIS 1022N 1.61 3.44 -0.09 2.71 5.65 0.74 -0.45 115.29 128.89 2h4v s HIS 1022Ca 0.03 -2.40 -0.30 0.00 0.25 0.00 0.00 55.06 52.65 2h4v s HIS 1022Cb -0.19 -2.41 -0.02 0.00 -1.18 0.00 0.00 32.58 28.79 2h4v s HIS 1022CO 0.08 -0.89 1.05 -0.47 -0.65 0.00 0.00 174.74 173.86 2h4v s TYR 1023N 1.09 3.45 -0.80 3.88 5.04 0.07 -0.40 117.35 129.67 2h4v s TYR 1023Ca -0.01 1.51 0.08 0.00 -2.44 0.00 0.00 57.07 56.22 2h4v s TYR 1023Cb -0.20 -3.24 0.03 0.00 0.35 0.00 0.00 41.96 38.90 2h4v s TYR 1023CO -0.05 -0.46 0.63 0.25 -1.34 0.00 0.00 175.55 174.58 2h4v n THR 1024N 4.55 0.00 -0.27 4.34 -2.24 -0.29 -3.80 114.28 116.57 2h4v n THR 1024Ca 0.09 -0.46 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 2h4v n THR 1024Cb 0.48 1.12 0.18 0.00 -2.10 0.00 0.00 70.33 70.01 2h4v n THR 1024CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4v n GLN 1025N 0.01 2.89 -1.89 -0.78 1.13 -1.22 -4.88 117.38 112.64 2h4v n GLN 1025Ca 0.04 -2.18 -0.42 0.00 -1.94 0.00 0.00 57.00 52.49 2h4v n GLN 1025Cb 0.17 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 2h4v n GLN 1025CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2h4v s TRP 1026N -1.17 3.00 0.75 1.08 -0.11 -1.26 -4.93 118.94 116.30 2h4v s TRP 1026Ca 0.27 0.62 -0.13 0.00 1.22 0.00 0.00 56.10 58.09 2h4v s TRP 1026Cb 0.15 -3.97 0.05 0.00 -1.50 0.00 0.00 33.47 28.20 2h4v s TRP 1026CO 0.17 -3.54 1.12 -1.25 -4.62 0.00 0.00 176.95 168.83 2h4v s PRO 1027N 0.85 2.24 0.28 5.86 0.04 -1.26 -4.91 135.00 138.10 2h4v s PRO 1027Ca 0.69 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2h4v s PRO 1027Cb -0.45 -1.88 0.37 0.00 0.04 0.00 0.00 34.50 32.58 2h4v s PRO 1027CO 0.34 -1.68 1.94 -0.44 0.04 0.00 0.00 177.00 177.20 2h4v h ASP 1028N -0.73 1.04 -4.08 6.66 3.32 -1.99 -3.41 116.42 117.23 2h4v h ASP 1028Ca -0.45 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.00 2h4v h ASP 1028Cb 1.25 -0.25 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 2h4v h ASP 1028CO 0.51 0.74 -0.84 -0.04 -1.72 0.00 0.00 179.24 177.88 2h4v s MET 1029N -6.01 1.76 2.20 3.56 -1.94 -1.26 -5.03 119.30 112.57 2h4v s MET 1029Ca -0.12 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 2h4v s MET 1029Cb 0.18 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 35.44 2h4v s MET 1029CO 0.81 0.32 0.00 0.41 -0.01 0.00 0.00 175.02 176.54 2h4v n GLY 1030N 2.93 -1.13 3.72 -0.03 0.00 -1.26 -4.93 105.19 104.50 2h4v n GLY 1030Ca -0.17 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 2h4v n GLY 1030CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h4v s VAL 1031N 0.00 2.92 0.34 1.61 -7.23 -1.26 -4.66 120.40 112.12 2h4v s VAL 1031Ca 0.00 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2h4v s VAL 1031Cb 0.00 -2.95 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 2h4v s VAL 1031CO 0.00 -0.17 1.44 -2.65 -0.31 0.00 0.00 175.10 173.41 2h4v n PRO 1032N -1.13 2.46 -0.14 4.82 -0.02 -1.26 -4.81 135.00 134.92 2h4v n PRO 1032Ca -0.03 0.87 -0.01 0.00 -2.02 0.00 0.00 63.50 62.31 2h4v n PRO 1032Cb 0.62 -2.55 0.24 0.00 -0.02 0.00 0.00 33.50 31.78 2h4v n PRO 1032CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2h4v h GLU 1033N 3.22 0.84 -5.09 -0.52 4.81 -1.98 -3.41 114.58 112.45 2h4v h GLU 1033Ca -0.48 -0.11 -0.65 0.00 -0.13 0.00 0.00 59.36 57.99 2h4v h GLU 1033Cb 1.25 -0.16 -0.34 0.00 0.63 0.00 0.00 28.75 30.14 2h4v h GLU 1033CO 0.67 0.66 -0.86 0.71 -0.73 0.00 0.00 179.01 179.46 2h4v s TYR 1034N -5.47 2.44 0.03 0.92 2.02 -1.26 -5.02 117.35 111.01 2h4v s TYR 1034Ca -0.10 -1.17 0.20 0.00 -0.37 0.00 0.00 57.07 55.63 2h4v s TYR 1034Cb 0.17 -1.68 0.57 0.00 -0.40 0.00 0.00 41.96 40.62 2h4v s TYR 1034CO 0.78 -0.53 1.67 0.00 -1.57 0.00 0.00 175.55 175.90 2h4v h ALA 1035N 7.22 0.90 -0.43 3.71 0.00 -1.94 -3.37 119.26 125.36 2h4v h ALA 1035Ca -0.30 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.38 2h4v h ALA 1035Cb 1.20 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2h4v h ALA 1035CO 0.52 0.43 -0.03 1.25 0.00 0.00 0.00 179.25 181.42 2h4v h LEU 1036N 0.00 -0.25 -1.15 0.00 5.85 -1.95 0.08 115.31 117.89 2h4v h LEU 1036Ca -0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2h4v h LEU 1036Cb 1.00 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2h4v h LEU 1036CO 0.04 -0.08 0.58 -0.65 -0.34 0.00 0.00 178.44 178.00 2h4v h PRO 1037N 0.07 0.99 -0.36 5.25 0.11 -2.01 0.08 132.00 136.14 2h4v h PRO 1037Ca 0.21 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 2h4v h PRO 1037Cb 0.31 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2h4v h PRO 1037CO -0.38 0.66 -0.14 0.28 -0.21 0.00 0.00 178.00 178.21 2h4v h VAL 1038N 1.02 1.28 -0.62 3.15 2.07 -1.55 -1.64 116.25 119.98 2h4v h VAL 1038Ca 0.38 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.70 2h4v h VAL 1038Cb 0.19 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2h4v h VAL 1038CO -0.14 0.41 0.37 0.25 0.02 0.00 0.00 177.57 178.48 2h4v h LEU 1039N 0.52 0.60 -0.54 2.57 5.85 -0.37 0.16 115.31 124.09 2h4v h LEU 1039Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2h4v h LEU 1039Cb 0.67 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2h4v h LEU 1039CO 0.05 0.41 0.28 0.74 -0.34 0.00 0.00 178.44 179.58 2h4v h THR 1040N 0.73 1.19 -0.43 1.05 2.02 -0.88 0.17 112.91 116.75 2h4v h THR 1040Ca 0.25 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2h4v h THR 1040Cb 0.05 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2h4v h THR 1040CO -0.12 0.21 0.28 0.15 0.37 0.00 0.00 175.52 176.42 2h4v h PHE 1041N 0.73 0.53 -0.29 3.16 3.57 -0.76 -0.54 116.94 123.34 2h4v h PHE 1041Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2h4v h PHE 1041Cb 0.08 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2h4v h PHE 1041CO -0.01 0.33 0.15 0.28 -2.23 0.00 0.00 178.31 176.83 2h4v h VAL 1042N 0.58 1.14 -0.66 1.41 2.07 -0.38 -0.94 116.25 119.46 2h4v h VAL 1042Ca 0.16 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2h4v h VAL 1042Cb -0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2h4v h VAL 1042CO -0.04 0.14 0.41 0.03 0.02 0.00 0.00 177.57 178.13 2h4v h ARG 1043N 0.35 0.89 -0.09 1.57 3.08 -0.69 -0.43 114.38 119.06 2h4v h ARG 1043Ca 0.10 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 2h4v h ARG 1043Cb 0.09 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.96 2h4v h ARG 1043CO -0.01 0.62 -0.74 0.00 -1.07 0.00 0.00 179.97 178.77 2h4v h ARG 1044N 0.90 0.66 -0.16 0.04 3.08 -1.01 -1.68 114.38 116.21 2h4v h ARG 1044Ca 0.24 -0.59 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 2h4v h ARG 1044Cb -0.05 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2h4v h ARG 1044CO -0.05 1.20 -0.44 0.66 -1.07 0.00 0.00 179.97 180.27 2h4v h SER 1045N 0.32 0.42 -0.19 7.04 4.64 -1.10 -2.72 113.55 121.94 2h4v h SER 1045Ca -0.07 -0.19 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 2h4v h SER 1045Cb 1.39 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2h4v h SER 1045CO 0.15 0.81 -0.52 -1.28 -0.87 0.00 0.00 176.83 175.11 2h4v h SER 1046N 0.32 0.86 0.59 4.97 0.87 -1.05 -2.99 113.55 117.11 2h4v h SER 1046Ca 0.02 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2h4v h SER 1046Cb 0.91 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2h4v h SER 1046CO 0.08 1.22 -0.10 0.00 -0.53 0.00 0.00 176.83 177.50 2h4v h ALA 1047N 0.80 1.13 0.00 6.23 0.00 -1.14 -2.78 119.26 123.49 2h4v h ALA 1047Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2h4v h ALA 1047Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2h4v h ALA 1047CO 0.11 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2h4v h ALA 1048N 1.90 1.00 -2.23 0.00 0.00 -1.33 -3.44 119.26 115.17 2h4v h ALA 1048Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2h4v h ALA 1048Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2h4v h ALA 1048CO 0.01 0.00 1.12 0.50 0.00 0.00 0.00 179.25 180.89 2h4v s ARG 1049N -3.31 4.08 0.23 0.00 3.52 -1.05 -4.98 118.95 117.43 2h4v s ARG 1049Ca 0.05 2.15 -0.02 0.00 -0.13 0.00 0.00 55.73 57.78 2h4v s ARG 1049Cb 0.10 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 2h4v s ARG 1049CO 0.45 -0.97 0.44 -1.64 -0.81 0.00 0.00 175.30 172.77 2h4v s MET 1050N 4.27 3.54 0.66 5.12 -1.94 -1.26 -5.08 119.30 124.60 2h4v s MET 1050Ca 0.76 -0.27 -0.18 0.00 -1.71 0.00 0.00 55.69 54.29 2h4v s MET 1050Cb -0.33 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 2h4v s MET 1050CO 0.31 0.34 1.29 -2.14 -0.01 0.00 0.00 175.02 174.81 2h4v s PRO 1051N -3.45 2.50 -1.40 2.03 0.02 -1.26 -3.53 135.00 129.91 2h4v s PRO 1051Ca 0.40 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 63.38 2h4v s PRO 1051Cb -0.11 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.59 2h4v s PRO 1051CO 0.30 -1.64 1.12 0.39 -0.33 0.00 0.00 177.00 176.84 2h4v n GLU 1052N -1.98 -7.43 -4.50 5.54 -0.58 -1.26 -4.99 120.64 105.44 2h4v n GLU 1052Ca 0.16 0.80 -0.24 0.00 -0.42 0.00 0.00 57.16 57.46 2h4v n GLU 1052Cb 0.48 -5.82 -0.11 0.00 -0.57 0.00 0.00 31.44 25.43 2h4v n GLU 1052CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2h4v s THR 1053N -3.31 1.75 0.48 2.62 -4.23 -1.23 -5.14 115.64 106.58 2h4v s THR 1053Ca 0.58 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 2h4v s THR 1053Cb -0.26 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 70.99 2h4v s THR 1053CO 0.72 -0.14 0.60 0.61 -0.54 0.00 0.00 174.62 175.87 2h4v n GLY 1054N -0.74 -1.52 3.73 3.99 0.00 0.74 -4.99 105.19 106.40 2h4v n GLY 1054Ca -0.05 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2h4v n GLY 1054CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2h4v s PRO 1055N -4.33 2.59 0.02 1.61 0.02 -1.26 -4.62 135.00 129.03 2h4v s PRO 1055Ca 0.35 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 2h4v s PRO 1055Cb -0.01 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2h4v s PRO 1055CO 0.25 -1.57 1.14 0.08 -0.33 0.00 0.00 177.00 176.56 2h4v s VAL 1056N -1.39 4.31 -0.16 3.83 1.01 -0.75 -4.48 120.40 122.77 2h4v s VAL 1056Ca 0.82 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 64.24 2h4v s VAL 1056Cb -0.38 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2h4v s VAL 1056CO 0.40 0.10 0.65 -0.22 0.00 0.00 0.00 175.10 176.03 2h4v s LEU 1057N 1.29 4.19 -0.09 3.92 0.20 -0.70 -0.94 118.68 126.54 2h4v s LEU 1057Ca 0.56 0.93 0.04 0.00 0.69 0.00 0.00 54.13 56.35 2h4v s LEU 1057Cb -0.26 -2.94 0.00 0.00 -0.43 0.00 0.00 46.19 42.56 2h4v s LEU 1057CO 0.27 -0.23 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.19 2h4v s VAL 1058N 1.62 1.91 0.08 1.68 1.01 0.44 0.32 120.40 127.46 2h4v s VAL 1058Ca 0.31 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 2h4v s VAL 1058Cb -0.16 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2h4v s VAL 1058CO 0.12 0.53 0.26 -1.38 0.00 0.00 0.00 175.10 174.63 2h4v s HIS 1059N 0.29 0.00 0.00 5.22 -0.00 -0.08 -1.48 115.29 119.25 2h4v s HIS 1059Ca -0.15 -0.30 0.00 0.00 -0.00 0.00 0.00 55.06 54.60 2h4v s HIS 1059Cb -0.17 0.04 0.00 0.00 -0.00 0.00 0.00 32.58 32.46 2h4v s HIS 1059CO 0.07 -0.54 0.00 0.00 -0.00 0.00 0.00 174.74 174.27 2h4v n SER 1061N 0.00 0.00 0.20 0.00 3.41 -1.26 -2.13 113.62 113.84 2h4v n SER 1061Ca 0.00 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 2h4v n SER 1061Cb 0.00 -0.46 0.18 0.00 -0.26 0.00 0.00 64.21 63.67 2h4v n SER 1061CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h4v h ALA 1062N -2.00 0.97 -0.84 7.33 0.00 -1.89 0.18 119.26 123.00 2h4v h ALA 1062Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2h4v h ALA 1062Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2h4v h ALA 1062CO 0.00 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.50 2h4v n GLY 1063N 1.13 0.18 1.24 0.00 0.00 -1.24 -4.09 105.19 102.40 2h4v n GLY 1063Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2h4v n GLY 1063CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2h4v n VAL 1064N -3.90 0.05 0.00 1.61 0.24 -1.26 -4.41 118.33 110.66 2h4v n VAL 1064Ca -0.07 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2h4v n VAL 1064Cb 0.53 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 2h4v n VAL 1064CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h4v n GLY 1065N 2.67 0.07 0.35 7.63 0.00 -1.26 -1.38 105.19 113.26 2h4v n GLY 1065Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2h4v n GLY 1065CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2h4v h ARG 1066N 0.00 0.99 -0.26 1.61 3.08 -1.95 -1.41 114.38 116.43 2h4v h ARG 1066Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2h4v h ARG 1066Cb 0.00 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 2h4v h ARG 1066CO 0.00 0.68 0.10 1.15 -1.07 0.00 0.00 179.97 180.83 2h4v h THR 1067N 1.01 0.95 -0.56 2.04 2.02 -1.87 -0.96 112.91 115.54 2h4v h THR 1067Ca 0.27 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 2h4v h THR 1067Cb -0.08 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2h4v h THR 1067CO -0.05 0.04 0.09 1.23 0.37 0.00 0.00 175.52 177.20 2h4v h GLY 1068N 0.23 0.96 0.99 2.16 0.00 -0.99 -2.09 103.07 104.33 2h4v h GLY 1068Ca 0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2h4v h GLY 1068CO -0.10 0.56 0.32 -0.84 0.00 0.00 0.00 176.54 176.47 2h4v h THR 1069N 0.85 1.18 0.08 4.70 2.02 -0.85 -0.24 112.91 120.64 2h4v h THR 1069Ca 0.18 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2h4v h THR 1069Cb 0.37 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2h4v h THR 1069CO 0.01 0.19 -0.07 0.22 0.37 0.00 0.00 175.52 176.24 2h4v h TYR 1070N 0.75 -0.18 -0.69 3.16 3.20 -1.00 -1.07 116.97 121.15 2h4v h TYR 1070Ca 0.20 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2h4v h TYR 1070Cb 0.02 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2h4v h TYR 1070CO -0.02 -0.11 0.46 0.82 -1.64 0.00 0.00 178.16 177.67 2h4v h ILE 1071N -0.16 1.17 -0.17 1.81 2.04 -1.02 0.14 117.51 121.33 2h4v h ILE 1071Ca 0.00 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2h4v h ILE 1071Cb 0.15 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2h4v h ILE 1071CO -0.02 0.17 -0.06 0.58 0.00 0.00 0.00 178.15 178.82 2h4v h VAL 1072N 0.93 1.30 -0.23 1.67 2.07 -0.94 -1.10 116.25 119.95 2h4v h VAL 1072Ca 0.25 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2h4v h VAL 1072Cb -0.10 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2h4v h VAL 1072CO -0.06 0.32 -0.00 0.40 0.02 0.00 0.00 177.57 178.25 2h4v h ILE 1073N 0.03 0.84 -0.10 4.57 2.04 -0.98 0.10 117.51 124.00 2h4v h ILE 1073Ca 0.04 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2h4v h ILE 1073Cb 0.53 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2h4v h ILE 1073CO 0.02 0.01 0.00 -0.78 0.00 0.00 0.00 178.15 177.40 2h4v h ASP 1074N 0.07 -0.04 -0.57 1.72 3.58 -0.94 -0.03 116.42 120.21 2h4v h ASP 1074Ca 0.11 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 2h4v h ASP 1074Cb 0.14 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2h4v h ASP 1074CO -0.18 -0.00 -0.02 0.28 -2.88 0.00 0.00 179.24 176.43 2h4v h SER 1075N 0.04 1.01 0.12 2.28 0.02 -1.02 -0.76 113.55 115.24 2h4v h SER 1075Ca 0.05 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.52 2h4v h SER 1075Cb 0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2h4v h SER 1075CO -0.08 1.08 -0.60 0.24 -1.14 0.00 0.00 176.83 176.33 2h4v h MET 1076N 0.91 0.48 -0.68 3.45 2.86 -0.82 -1.05 114.93 120.08 2h4v h MET 1076Ca 0.16 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2h4v h MET 1076Cb 0.57 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 2h4v h MET 1076CO 0.03 0.93 0.42 -0.07 1.06 0.00 0.00 176.91 179.29 2h4v h LEU 1077N 0.36 0.82 -0.97 1.22 3.38 -0.68 -0.51 115.31 118.92 2h4v h LEU 1077Ca -0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2h4v h LEU 1077Cb 1.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2h4v h LEU 1077CO 0.11 0.63 -0.32 1.56 0.09 0.00 0.00 178.44 180.51 2h4v h GLN 1078N 0.93 0.36 -0.33 1.13 4.20 -0.91 -0.96 115.11 119.52 2h4v h GLN 1078Ca 0.25 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2h4v h GLN 1078Cb -0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2h4v h GLN 1078CO -0.05 0.64 -0.06 0.37 -0.67 0.00 0.00 178.83 179.07 2h4v h GLN 1079N 0.31 0.62 -0.42 1.46 4.15 -0.92 -1.54 115.11 118.78 2h4v h GLN 1079Ca 0.04 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2h4v h GLN 1079Cb 0.72 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 2h4v h GLN 1079CO 0.05 0.79 0.27 0.82 -1.93 0.00 0.00 178.83 178.83 2h4v h ILE 1080N 0.41 1.12 -0.70 2.39 2.04 -0.87 0.28 117.51 122.19 2h4v h ILE 1080Ca 0.09 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2h4v h ILE 1080Cb 0.54 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2h4v h ILE 1080CO 0.03 0.12 0.46 0.11 0.00 0.00 0.00 178.15 178.87 2h4v h LYS 1081N 0.56 0.90 0.00 2.37 6.56 -1.09 -3.33 116.57 122.55 2h4v h LYS 1081Ca 0.15 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.59 2h4v h LYS 1081Cb -0.03 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.41 2h4v h LYS 1081CO -0.03 0.60 -0.71 0.22 -2.06 0.00 0.00 179.45 177.47 2h4v h ASP 1082N 0.93 0.00 -0.01 0.86 3.58 -1.06 -3.46 116.42 117.26 2h4v h ASP 1082Ca 0.26 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2h4v h ASP 1082Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2h4v h ASP 1082CO -0.06 1.09 0.00 0.29 -2.88 0.00 0.00 179.24 177.68 2h4v n LYS 1083N -4.55 2.69 -2.74 0.28 5.02 0.97 -5.02 118.16 114.80 2h4v n LYS 1083Ca -0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.06 2h4v n LYS 1083Cb 0.45 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.51 2h4v n LYS 1083CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2h4v n SER 1084N 0.00 1.21 -4.39 4.39 2.88 -1.25 -4.69 113.62 111.77 2h4v n SER 1084Ca 0.00 -2.38 -0.19 0.00 -1.33 0.00 0.00 58.87 54.97 2h4v n SER 1084Cb 0.00 -0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 62.97 2h4v n SER 1084CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2h4v s THR 1085N -3.12 1.34 -0.09 2.46 -4.23 -1.26 -3.74 115.64 107.00 2h4v s THR 1085Ca 0.26 -2.07 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 2h4v s THR 1085Cb 0.40 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.86 2h4v s THR 1085CO -0.01 -0.29 0.50 0.54 -0.54 0.00 0.00 174.62 174.81 2h4v s VAL 1086N -3.21 0.02 -0.42 2.29 0.11 -1.26 -3.62 120.40 114.32 2h4v s VAL 1086Ca 0.29 -0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 2h4v s VAL 1086Cb 0.05 -0.76 0.17 0.00 -1.53 0.00 0.00 36.38 34.31 2h4v s VAL 1086CO 0.11 -0.09 0.36 -3.20 -3.33 0.00 0.00 175.10 168.95 2h4v n ASN 1087N 1.77 -0.64 -0.08 3.54 5.15 -1.26 -5.02 115.26 118.72 2h4v n ASN 1087Ca -0.18 -2.40 -0.10 0.00 -0.60 0.00 0.00 54.58 51.30 2h4v n ASN 1087Cb 0.56 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 2h4v n ASN 1087CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2h4v h VAL 1088N 4.61 1.13 -0.48 3.44 2.07 -1.99 -1.57 116.25 123.46 2h4v h VAL 1088Ca 0.26 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2h4v h VAL 1088Cb 0.92 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2h4v h VAL 1088CO 0.35 0.13 0.11 0.25 0.02 0.00 0.00 177.57 178.43 2h4v h LEU 1089N 0.34 0.74 -0.52 2.57 5.85 -1.99 -0.16 115.31 122.13 2h4v h LEU 1089Ca 0.10 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 2h4v h LEU 1089Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2h4v h LEU 1089CO -0.02 0.78 -0.35 1.23 -0.34 0.00 0.00 178.44 179.74 2h4v h GLY 1090N 0.66 0.89 0.94 3.75 0.00 -1.97 -1.08 103.07 106.26 2h4v h GLY 1090Ca 0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 2h4v h GLY 1090CO 0.00 0.78 0.17 -2.75 0.00 0.00 0.00 176.54 174.74 2h4v h PHE 1091N 0.68 0.56 -0.38 5.60 3.57 -1.09 -1.76 116.94 124.12 2h4v h PHE 1091Ca 0.06 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2h4v h PHE 1091Cb 0.91 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2h4v h PHE 1091CO 0.05 0.49 0.24 1.25 -2.23 0.00 0.00 178.31 178.11 2h4v h LEU 1092N 0.47 0.45 -1.25 0.59 5.85 -0.83 -0.14 115.31 120.45 2h4v h LEU 1092Ca 0.13 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2h4v h LEU 1092Cb 0.15 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2h4v h LEU 1092CO -0.01 0.35 0.54 0.11 -0.34 0.00 0.00 178.44 179.09 2h4v h LYS 1093N 0.51 0.87 0.16 1.25 1.57 -1.05 -0.71 116.57 119.17 2h4v h LYS 1093Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2h4v h LYS 1093Cb -0.03 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.09 2h4v h LYS 1093CO -0.03 0.57 -0.08 1.25 -0.57 0.00 0.00 179.45 180.60 2h4v h HIS 1094N 0.89 -0.20 0.00 -1.35 2.76 -0.63 -3.08 115.15 113.54 2h4v h HIS 1094Ca 0.36 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 2h4v h HIS 1094Cb 0.25 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2h4v h HIS 1094CO -0.00 0.16 -0.17 -0.84 -1.30 0.00 0.00 177.93 175.78 2h4v h ILE 1095N -0.60 0.84 0.00 6.26 3.07 -0.77 -0.95 117.51 125.35 2h4v h ILE 1095Ca -0.02 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.75 2h4v h ILE 1095Cb 0.45 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 2h4v h ILE 1095CO 0.04 0.16 0.00 0.03 -1.05 0.00 0.00 178.15 177.33 2h4v h ARG 1096N 0.00 0.00 -0.00 0.16 3.08 -1.04 0.11 114.38 116.69 2h4v h ARG 1096Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h4v h ARG 1096Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2h4v h ARG 1096CO 0.02 0.00 -0.16 0.25 -1.07 0.00 0.00 179.97 179.01 2h4v n THR 1097N -2.41 0.00 -0.10 2.04 -2.24 -0.36 -4.22 114.28 106.98 2h4v n THR 1097Ca -0.00 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2h4v n THR 1097Cb 0.13 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 67.97 2h4v n THR 1097CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4v n GLN 1098N -1.49 0.86 -3.77 -0.78 6.02 0.34 -4.96 117.38 113.60 2h4v n GLN 1098Ca 0.07 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.97 2h4v n GLN 1098Cb 0.34 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 2h4v n GLN 1098CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2h4v s ARG 1099N -2.46 0.21 0.27 -1.09 3.52 -0.91 -4.61 118.95 113.88 2h4v s ARG 1099Ca -0.16 0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.51 2h4v s ARG 1099Cb 0.06 -0.00 -0.12 0.00 -1.56 0.00 0.00 34.95 33.33 2h4v s ARG 1099CO 0.69 -0.09 1.61 0.27 -0.81 0.00 0.00 175.30 176.96 2h4v n ASN 1100N 3.57 3.79 -0.40 -2.12 2.04 -1.26 -3.23 115.26 117.66 2h4v n ASN 1100Ca -0.19 1.13 -0.05 0.00 -0.44 0.00 0.00 54.58 55.03 2h4v n ASN 1100Cb 0.56 -1.58 -0.02 0.00 -2.53 0.00 0.00 39.78 36.21 2h4v n ASN 1100CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 2h4v n TYR 1101N 2.49 0.00 -1.66 -2.53 4.01 -1.26 -4.80 117.16 113.41 2h4v n TYR 1101Ca 0.10 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.35 2h4v n TYR 1101Cb 0.36 -1.43 -0.05 0.00 -0.31 0.00 0.00 39.34 37.91 2h4v n TYR 1101CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2h4v n LEU 1102N -0.59 2.75 -2.44 7.72 4.77 -1.20 -2.64 117.00 125.37 2h4v n LEU 1102Ca -0.05 1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.98 2h4v n LEU 1102Cb 0.28 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2h4v n LEU 1102CO 0.08 -0.43 -0.29 0.52 -1.33 0.00 0.00 177.39 175.93 2h4v n VAL 1103N 3.73 -9.49 0.07 4.08 0.31 -0.48 -4.84 118.33 111.71 2h4v n VAL 1103Ca 0.20 1.26 -0.03 0.00 -0.01 0.00 0.00 64.34 65.76 2h4v n VAL 1103Cb 0.25 -6.29 -0.07 0.00 -0.91 0.00 0.00 33.84 26.82 2h4v n VAL 1103CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2h4v h GLN 1104N 2.15 0.00 -5.77 5.55 4.15 -1.69 -3.47 115.11 116.04 2h4v h GLN 1104Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.93 2h4v h GLN 1104Cb 0.15 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.63 2h4v h GLN 1104CO 0.09 0.66 -0.80 0.95 -1.93 0.00 0.00 178.83 177.80 2h4v s THR 1105N -2.81 1.47 0.31 2.39 -4.23 -1.26 -5.03 115.64 106.49 2h4v s THR 1105Ca 0.01 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2h4v s THR 1105Cb 0.09 -1.43 0.28 0.00 1.34 0.00 0.00 72.50 72.78 2h4v s THR 1105CO 0.80 -0.19 1.92 -0.08 -0.54 0.00 0.00 174.62 176.53 2h4v h GLU 1106N 3.97 0.99 -0.96 3.99 4.81 -1.97 -1.45 114.58 123.96 2h4v h GLU 1106Ca -0.43 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2h4v h GLU 1106Cb 1.19 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2h4v h GLU 1106CO 0.43 0.65 0.63 1.49 -0.73 0.00 0.00 179.01 181.48 2h4v h GLU 1107N 1.02 1.12 -0.57 1.92 4.81 -1.99 -0.06 114.58 120.82 2h4v h GLU 1107Ca 0.37 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2h4v h GLU 1107Cb 0.15 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2h4v h GLU 1107CO -0.13 0.74 -0.02 1.96 -0.73 0.00 0.00 179.01 180.83 2h4v h GLN 1108N 1.16 1.03 -0.70 1.92 4.20 -1.75 -0.50 115.11 120.47 2h4v h GLN 1108Ca 0.40 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2h4v h GLN 1108Cb 0.10 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2h4v h GLN 1108CO -0.14 1.03 0.46 -0.92 -0.67 0.00 0.00 178.83 178.59 2h4v h TYR 1109N 0.92 0.87 -0.42 2.96 3.20 -0.27 -0.48 116.97 123.74 2h4v h TYR 1109Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 2h4v h TYR 1109Cb 0.58 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2h4v h TYR 1109CO 0.04 0.54 -0.05 0.82 -1.64 0.00 0.00 178.16 177.87 2h4v h ILE 1110N 0.93 1.27 -0.96 1.81 2.04 -0.89 -3.03 117.51 118.68 2h4v h ILE 1110Ca 0.26 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2h4v h ILE 1110Cb -0.09 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2h4v h ILE 1110CO -0.06 0.38 0.62 0.15 0.00 0.00 0.00 178.15 179.23 2h4v h PHE 1111N 0.60 1.11 -0.61 1.37 3.57 -0.55 -0.20 116.94 122.23 2h4v h PHE 1111Ca 0.11 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2h4v h PHE 1111Cb 0.55 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 2h4v h PHE 1111CO 0.04 0.55 0.27 0.82 -2.23 0.00 0.00 178.31 177.77 2h4v h ILE 1112N 1.06 0.85 -0.39 1.41 2.04 -0.98 0.57 117.51 122.07 2h4v h ILE 1112Ca 0.42 -0.17 -0.15 0.00 1.00 0.00 0.00 64.86 65.97 2h4v h ILE 1112Cb 0.25 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2h4v h ILE 1112CO -0.18 0.09 -0.34 0.45 0.00 0.00 0.00 178.15 178.18 2h4v h HIS 1113N 0.50 1.06 -0.53 1.37 3.86 -1.19 -0.42 115.15 119.80 2h4v h HIS 1113Ca 0.29 -0.30 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2h4v h HIS 1113Cb 0.29 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 2h4v h HIS 1113CO -0.13 1.10 0.31 -0.44 0.86 0.00 0.00 177.93 179.63 2h4v h ASP 1114N 0.75 0.49 -0.29 2.45 3.32 -0.54 -0.09 116.42 122.50 2h4v h ASP 1114Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2h4v h ASP 1114Cb 0.91 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2h4v h ASP 1114CO 0.08 0.34 0.12 0.00 -1.72 0.00 0.00 179.24 178.06 2h4v h ALA 1115N 1.24 0.38 -0.63 3.45 0.00 -0.70 -0.61 119.26 122.39 2h4v h ALA 1115Ca 0.22 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2h4v h ALA 1115Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2h4v h ALA 1115CO -0.11 -0.02 0.05 -0.07 0.00 0.00 0.00 179.25 179.10 2h4v h LEU 1116N 0.32 1.05 -0.47 0.00 3.38 -0.87 -1.31 115.31 117.43 2h4v h LEU 1116Ca 0.10 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2h4v h LEU 1116Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2h4v h LEU 1116CO -0.01 1.08 0.31 0.25 0.09 0.00 0.00 178.44 180.15 2h4v h LEU 1117N 1.00 0.52 -0.94 1.67 5.85 -0.83 -1.04 115.31 121.54 2h4v h LEU 1117Ca 0.19 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2h4v h LEU 1117Cb 0.51 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2h4v h LEU 1117CO 0.02 0.38 0.62 -0.08 -0.34 0.00 0.00 178.44 179.04 2h4v h GLU 1118N 0.62 1.21 -0.45 1.25 4.81 -0.82 -0.26 114.58 120.94 2h4v h GLU 1118Ca 0.17 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2h4v h GLU 1118Cb -0.06 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.02 2h4v h GLU 1118CO -0.05 0.80 0.27 0.00 -0.73 0.00 0.00 179.01 179.31 2h4v h ALA 1119N 1.36 0.57 -0.36 2.92 0.00 -0.89 0.54 119.26 123.40 2h4v h ALA 1119Ca 0.36 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2h4v h ALA 1119Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2h4v h ALA 1119CO -0.09 -0.04 -0.05 0.82 0.00 0.00 0.00 179.25 179.89 2h4v h ILE 1120N 0.54 1.27 0.00 0.00 2.04 -0.77 -3.00 117.51 117.60 2h4v h ILE 1120Ca 0.18 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.82 2h4v h ILE 1120Cb 0.01 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2h4v h ILE 1120CO -0.08 0.36 -0.58 -0.07 0.00 0.00 0.00 178.15 177.78 2h4v h LEU 1121N 0.48 0.00 0.00 1.44 3.38 -0.94 -3.51 115.31 116.15 2h4v h LEU 1121Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2h4v h LEU 1121Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2h4v h LEU 1121CO 0.03 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.75