#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4v s SER 829 N 0.00 2.23 0.07 1.08 1.04 -1.26 -1.47 113.70 115.38 2h4v s SER 829 Ca 0.00 1.07 -0.23 0.00 0.48 0.00 0.00 55.95 57.27 2h4v s SER 829 Cb 0.00 -1.67 -0.16 0.00 0.10 0.00 0.00 66.02 64.30 2h4v s SER 829 CO 0.00 -3.36 1.62 0.24 0.98 0.00 0.00 173.24 172.72 2h4v h MET 830 N -2.05 0.03 -0.55 4.02 0.00 -1.95 0.29 114.93 114.72 2h4v h MET 830 Ca -0.54 -0.00 0.01 0.00 0.00 0.00 0.00 59.70 59.17 2h4v h MET 830 Cb 1.33 -0.01 -0.03 0.00 0.00 0.00 0.00 31.60 32.89 2h4v h MET 830 CO 0.54 0.14 0.36 -0.22 0.00 0.00 0.00 176.91 177.73 2h4v h LYS 831 N -0.09 0.70 -0.23 1.72 3.64 -1.94 0.20 116.57 120.57 2h4v h LYS 831 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h4v h LYS 831 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2h4v h LYS 831 CO -0.00 0.47 0.12 1.96 -2.27 0.00 0.00 179.45 179.73 2h4v h GLN 832 N 0.72 0.32 -0.53 1.90 4.20 -1.89 -1.16 115.11 118.68 2h4v h GLN 832 Ca 0.21 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2h4v h GLN 832 Cb -0.06 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2h4v h GLN 832 CO -0.06 0.30 0.32 0.35 -0.67 0.00 0.00 178.83 179.06 2h4v h PHE 833 N 0.26 0.59 -0.04 2.96 3.57 -0.68 0.11 116.94 123.71 2h4v h PHE 833 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2h4v h PHE 833 Cb 0.07 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2h4v h PHE 833 CO -0.04 0.34 0.01 0.28 -2.23 0.00 0.00 178.31 176.68 2h4v h VAL 834 N 0.63 1.17 -0.79 1.41 2.07 -0.77 -0.46 116.25 119.51 2h4v h VAL 834 Ca 0.21 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.38 2h4v h VAL 834 Cb 0.02 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 2h4v h VAL 834 CO -0.09 0.14 0.32 0.11 0.02 0.00 0.00 177.57 178.06 2h4v h LYS 835 N -0.14 0.42 -0.25 1.57 1.57 -1.16 -2.65 116.57 115.93 2h4v h LYS 835 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2h4v h LYS 835 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2h4v h LYS 835 CO -0.00 0.28 0.04 1.25 -0.57 0.00 0.00 179.45 180.45 2h4v h HIS 836 N 0.44 0.36 -0.24 -1.35 2.76 0.42 -2.36 115.15 115.17 2h4v h HIS 836 Ca 0.44 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2h4v h HIS 836 Cb 0.71 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2h4v h HIS 836 CO -0.16 0.34 0.16 0.82 -1.30 0.00 0.00 177.93 177.78 2h4v h ILE 837 N 0.35 1.07 -0.98 6.26 2.04 -0.76 -1.13 117.51 124.36 2h4v h ILE 837 Ca 0.08 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2h4v h ILE 837 Cb 0.18 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2h4v h ILE 837 CO 0.00 0.07 0.65 1.23 0.00 0.00 0.00 178.15 180.10 2h4v h GLY 838 N 0.32 1.39 1.02 5.37 0.00 -1.45 -1.31 103.07 108.41 2h4v h GLY 838 Ca 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2h4v h GLY 838 CO -0.02 0.49 0.32 0.83 0.00 0.00 0.00 176.54 178.16 2h4v h GLU 839 N 1.32 1.07 -0.29 4.80 5.08 -1.12 -1.67 114.58 123.77 2h4v h GLU 839 Ca 0.36 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2h4v h GLU 839 Cb -0.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 2h4v h GLU 839 CO -0.08 0.86 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.57 2h4v h LEU 840 N 1.03 0.50 -0.89 1.33 3.38 -0.37 -2.76 115.31 117.53 2h4v h LEU 840 Ca 0.25 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2h4v h LEU 840 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2h4v h LEU 840 CO -0.02 0.67 -0.41 1.88 0.09 0.00 0.00 178.44 180.65 2h4v h TYR 841 N 0.47 0.00 -4.18 1.13 -1.99 -0.96 -2.70 116.97 108.74 2h4v h TYR 841 Ca 0.08 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.31 2h4v h TYR 841 Cb 0.53 0.00 0.15 0.00 2.00 0.00 0.00 36.73 39.41 2h4v h TYR 841 CO 0.02 0.41 0.26 -1.54 -0.00 0.00 0.00 178.16 177.31 2h4v s SER 842 N -6.50 3.72 -1.29 3.88 1.04 -0.65 -0.97 113.70 112.92 2h4v s SER 842 Ca -0.00 1.77 -0.04 0.00 0.48 0.00 0.00 55.95 58.16 2h4v s SER 842 Cb 0.11 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.81 2h4v s SER 842 CO 0.70 -2.53 0.65 -0.46 0.98 0.00 0.00 173.24 172.58 2h4v n ASN 843 N -3.84 -1.92 -3.84 7.02 0.23 -1.26 -2.04 115.26 109.61 2h4v n ASN 843 Ca 0.09 -0.90 -0.25 0.00 -0.53 0.00 0.00 54.58 52.98 2h4v n ASN 843 Cb 0.54 -3.71 0.02 0.00 -2.08 0.00 0.00 39.78 34.54 2h4v n ASN 843 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2h4v n ASN 844 N -2.98 -2.04 -1.89 0.53 5.03 -1.25 -2.17 115.26 110.49 2h4v n ASN 844 Ca -0.26 -0.86 -0.18 0.00 0.87 0.00 0.00 54.58 54.16 2h4v n ASN 844 Cb 0.66 -3.73 -0.02 0.00 -1.02 0.00 0.00 39.78 35.68 2h4v n ASN 844 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2h4v n GLN 845 N -4.42 -1.37 -0.17 3.52 6.02 -0.15 -4.92 117.38 115.90 2h4v n GLN 845 Ca -0.19 0.90 -0.02 0.00 -0.01 0.00 0.00 57.00 57.68 2h4v n GLN 845 Cb 0.63 -5.34 0.05 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 -0.19 -0.91 1.08 2.76 -1.14 -2.25 115.15 114.50 2h4v h HIS 846 Ca -0.41 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.82 2h4v h HIS 846 Cb 1.28 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 30.36 2h4v h HIS 846 CO 0.47 -0.20 0.60 0.78 -1.30 0.00 0.00 177.93 178.29 2h4v h GLY 847 N 0.04 1.27 1.00 5.26 0.00 -1.74 -0.10 103.07 108.80 2h4v h GLY 847 Ca 0.26 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.12 2h4v h GLY 847 CO -0.51 0.47 0.31 0.74 0.00 0.00 0.00 176.54 177.55 2h4v h PHE 848 N 1.23 0.59 -0.64 5.60 0.04 -1.09 0.10 116.94 122.77 2h4v h PHE 848 Ca 0.33 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 2h4v h PHE 848 Cb -0.14 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 2h4v h PHE 848 CO -0.01 0.37 0.31 0.77 -0.60 0.00 0.00 178.31 179.15 2h4v h SER 849 N 0.64 0.84 -0.50 2.17 0.02 -0.80 0.22 113.55 116.14 2h4v h SER 849 Ca 0.17 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2h4v h SER 849 Cb -0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2h4v h SER 849 CO -0.04 0.74 0.21 -0.33 -1.14 0.00 0.00 176.83 176.27 2h4v h GLU 850 N 0.89 0.74 -0.45 3.45 3.07 -0.80 -1.34 114.58 120.14 2h4v h GLU 850 Ca 0.22 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 2h4v h GLU 850 Cb 0.12 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2h4v h GLU 850 CO -0.03 0.65 0.24 -0.44 -1.40 0.00 0.00 179.01 178.03 2h4v h ASP 851 N 0.66 0.56 0.06 1.42 5.19 -0.74 -2.10 116.42 121.47 2h4v h ASP 851 Ca 0.17 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.36 2h4v h ASP 851 Cb 0.18 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2h4v h ASP 851 CO -0.02 0.50 -0.40 0.15 -3.12 0.00 0.00 179.24 176.36 2h4v h PHE 852 N 0.58 0.51 -0.89 4.55 3.57 -0.71 -0.48 116.94 124.08 2h4v h PHE 852 Ca 0.16 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2h4v h PHE 852 Cb 0.07 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 2h4v h PHE 852 CO -0.02 0.77 0.47 1.49 -2.23 0.00 0.00 178.31 178.79 2h4v h GLU 853 N 0.36 1.25 -0.83 1.11 4.57 -1.17 0.24 114.58 120.11 2h4v h GLU 853 Ca 0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2h4v h GLU 853 Cb 0.86 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 2h4v h GLU 853 CO 0.07 0.92 0.52 1.49 -1.18 0.00 0.00 179.01 180.84 2h4v h GLU 854 N 1.25 1.11 -0.43 1.92 4.81 -0.82 -1.62 114.58 120.80 2h4v h GLU 854 Ca 0.31 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2h4v h GLU 854 Cb 0.05 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2h4v h GLU 854 CO -0.05 0.76 0.12 0.28 -0.73 0.00 0.00 179.01 179.39 2h4v h VAL 855 N 1.13 1.23 0.00 0.32 2.07 -0.59 -0.48 116.25 119.92 2h4v h VAL 855 Ca 0.30 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2h4v h VAL 855 Cb -0.09 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2h4v h VAL 855 CO -0.06 0.27 -0.20 1.56 0.02 0.00 0.00 177.57 179.16 2h4v h GLN 856 N 0.55 0.00 -0.07 1.57 1.08 -0.53 -2.49 115.11 115.22 2h4v h GLN 856 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2h4v h GLN 856 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2h4v h GLN 856 CO -0.00 0.20 0.00 0.54 -0.95 0.00 0.00 178.83 178.62 2h4v n ARG 857 N -4.22 2.35 0.12 1.46 3.00 -0.65 -4.65 116.66 114.06 2h4v n ARG 857 Ca -0.02 -1.97 0.12 0.00 -0.01 0.00 0.00 57.85 55.97 2h4v n ARG 857 Cb 0.27 -1.47 0.47 0.00 0.00 0.00 0.00 32.46 31.73 2h4v n ARG 857 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h4v n THR 859 N -2.22 0.99 0.27 0.00 -2.24 -1.26 -4.50 114.28 105.32 2h4v n THR 859 Ca 0.03 -1.00 0.15 0.00 -2.27 0.00 0.00 64.05 60.96 2h4v n THR 859 Cb 0.27 0.51 0.86 0.00 -2.10 0.00 0.00 70.33 69.87 2h4v n THR 859 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4v h ALA 860 N 2.06 1.66 -0.58 6.98 0.00 -1.63 -1.68 119.26 126.08 2h4v h ALA 860 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2h4v h ALA 860 Cb 0.73 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2h4v h ALA 860 CO 0.00 -0.08 0.13 -0.40 0.00 0.00 0.00 179.25 178.90 2h4v n ASP 861 N -3.92 4.70 -4.05 0.00 5.75 -1.26 -4.87 116.55 112.90 2h4v n ASP 861 Ca -0.02 -3.16 -0.24 0.00 -0.01 0.00 0.00 54.79 51.36 2h4v n ASP 861 Cb 0.14 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.39 2h4v n ASP 861 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2h4v s MET 862 N -2.93 1.58 -0.42 0.11 -1.94 -0.63 -5.10 119.30 109.96 2h4v s MET 862 Ca 0.52 -0.44 -0.24 0.00 -1.71 0.00 0.00 55.69 53.82 2h4v s MET 862 Cb 0.41 -1.34 0.02 0.00 2.01 0.00 0.00 34.83 35.93 2h4v s MET 862 CO 0.12 0.09 0.82 1.21 -0.01 0.00 0.00 175.02 177.26 2h4v s ASN 863 N 0.43 6.49 -0.11 3.03 3.84 -1.26 -4.96 114.94 122.40 2h4v s ASN 863 Ca -0.10 0.13 0.01 0.00 0.21 0.00 0.00 52.86 53.11 2h4v s ASN 863 Cb -0.13 -2.41 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 2h4v s ASN 863 CO 0.03 -0.88 -0.12 -0.63 -2.79 0.00 0.00 177.10 172.71 2h4v s ILE 864 N 3.34 1.27 0.21 -5.21 1.01 -1.26 -5.14 121.20 115.42 2h4v s ILE 864 Ca 0.32 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2h4v s ILE 864 Cb -0.12 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2h4v s ILE 864 CO 0.21 0.40 0.38 0.42 0.00 0.00 0.00 174.94 176.35 2h4v s THR 865 N 1.22 5.23 -0.37 2.92 -4.23 -1.26 -5.01 115.64 114.14 2h4v s THR 865 Ca -0.03 -0.51 0.13 0.00 -1.18 0.00 0.00 61.69 60.10 2h4v s THR 865 Cb -0.14 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.31 2h4v s THR 865 CO -0.04 -0.21 0.83 0.00 -0.54 0.00 0.00 174.62 174.66 2h4v n ALA 866 N -0.82 2.11 -0.13 3.99 0.00 -1.26 -0.76 120.51 123.65 2h4v n ALA 866 Ca -0.06 -3.14 -0.11 0.00 0.00 0.00 0.00 53.44 50.13 2h4v n ALA 866 Cb 0.54 -0.95 0.01 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 2.97 0.93 -0.83 0.00 4.39 -1.96 -3.16 114.58 116.92 2h4v h GLU 867 Ca 0.03 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 2h4v h GLU 867 Cb 1.04 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 2h4v h GLU 867 CO 0.46 1.08 0.43 0.45 -1.16 0.00 0.00 179.01 180.27 2h4v h HIS 868 N 0.79 1.17 -0.06 4.33 3.86 -1.94 -2.52 115.15 120.78 2h4v h HIS 868 Ca 0.09 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2h4v h HIS 868 Cb 0.84 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 2h4v h HIS 868 CO 0.05 0.83 0.04 0.77 0.86 0.00 0.00 177.93 180.48 2h4v h SER 869 N 1.18 0.07 -0.48 2.45 0.02 -1.81 -2.41 113.55 112.57 2h4v h SER 869 Ca 0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2h4v h SER 869 Cb 0.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2h4v h SER 869 CO -0.04 0.05 0.00 0.59 -1.14 0.00 0.00 176.83 176.29 2h4v n ASN 870 N -4.53 3.62 -4.76 3.07 3.02 -0.98 -4.09 115.26 110.61 2h4v n ASN 870 Ca -0.02 -2.20 -0.41 0.00 -0.03 0.00 0.00 54.58 51.92 2h4v n ASN 870 Cb 0.09 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 2h4v n ASN 870 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2h4v s HIS 871 N -1.37 2.83 0.40 3.10 5.65 -0.91 -4.83 115.29 120.17 2h4v s HIS 871 Ca 0.37 1.00 0.22 0.00 0.25 0.00 0.00 55.06 56.90 2h4v s HIS 871 Cb 0.22 -3.95 1.22 0.00 -1.18 0.00 0.00 32.58 28.89 2h4v s HIS 871 CO 0.21 -3.01 1.70 -1.35 -0.65 0.00 0.00 174.74 171.64 2h4v h PRO 872 N 4.36 0.27 0.00 2.88 0.11 -1.92 0.13 132.00 137.82 2h4v h PRO 872 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2h4v h PRO 872 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2h4v h PRO 872 CO 0.74 0.18 -0.10 1.49 -0.21 0.00 0.00 178.00 180.09 2h4v h GLU 873 N 0.27 0.00 0.00 1.05 4.57 -1.94 -3.23 114.58 115.30 2h4v h GLU 873 Ca 0.69 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.87 2h4v h GLU 873 Cb 1.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.50 2h4v h GLU 873 CO -0.38 0.10 -1.40 0.09 -1.18 0.00 0.00 179.01 176.24 2h4v n ASN 874 N -3.23 0.59 -0.36 1.04 3.02 0.42 -4.54 115.26 112.20 2h4v n ASN 874 Ca 0.01 -0.57 0.07 0.00 -0.03 0.00 0.00 54.58 54.06 2h4v n ASN 874 Cb 0.38 1.39 0.24 0.00 -0.61 0.00 0.00 39.78 41.18 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 0.00 0.96 0.00 3.52 1.57 -1.44 0.51 116.57 121.69 2h4v h LYS 875 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h4v h LYS 875 Cb 0.71 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2h4v h LYS 875 CO 0.00 0.64 0.00 -2.39 -0.57 0.00 0.00 179.45 177.13 2h4v n HIS 876 N -4.61 0.65 1.49 -1.35 1.44 -1.26 -2.11 115.22 109.46 2h4v n HIS 876 Ca 0.19 0.27 0.14 0.00 -2.01 0.00 0.00 57.72 56.31 2h4v n HIS 876 Cb 0.36 -0.94 0.55 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.11 1.30 -3.85 -1.40 5.02 0.17 -4.77 118.16 112.52 2h4v n LYS 877 Ca 0.01 -0.67 -0.35 0.00 -2.02 0.00 0.00 58.31 55.28 2h4v n LYS 877 Cb 0.17 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.16 5.84 0.28 4.39 0.01 -0.90 -4.58 114.94 117.83 2h4v s ASN 878 Ca 0.35 0.11 0.08 0.00 -0.71 0.00 0.00 52.86 52.69 2h4v s ASN 878 Cb 0.21 -2.02 0.41 0.00 0.41 0.00 0.00 41.25 40.25 2h4v s ASN 878 CO 0.40 0.14 1.65 -0.09 -1.51 0.00 0.00 177.10 177.69 2h4v h ARG 879 N 6.94 0.13 -4.79 -0.60 2.43 -1.87 -3.43 114.38 113.20 2h4v h ARG 879 Ca -0.38 -0.08 -0.52 0.00 -0.81 0.00 0.00 59.98 58.19 2h4v h ARG 879 Cb 1.16 0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 30.39 2h4v h ARG 879 CO 0.70 0.62 -0.82 0.71 -1.51 0.00 0.00 179.97 179.67 2h4v s TYR 880 N -3.88 1.51 0.43 2.20 2.02 -1.26 -5.06 117.35 113.32 2h4v s TYR 880 Ca -0.03 -0.51 0.09 0.00 -0.37 0.00 0.00 57.07 56.25 2h4v s TYR 880 Cb 0.13 -1.07 0.93 0.00 -0.40 0.00 0.00 41.96 41.54 2h4v s TYR 880 CO 0.77 -0.23 2.07 0.97 -1.57 0.00 0.00 175.55 177.56 2h4v h ILE 881 N 5.70 1.09 -0.11 2.71 2.10 -1.95 -2.86 117.51 124.19 2h4v h ILE 881 Ca -0.31 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2h4v h ILE 881 Cb 1.18 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2h4v h ILE 881 CO 0.48 0.09 0.00 0.59 -1.08 0.00 0.00 178.15 178.23 2h4v n ASN 882 N -4.48 3.08 -4.29 2.19 3.02 -1.26 -4.82 115.26 108.70 2h4v n ASN 882 Ca 0.02 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 2h4v n ASN 882 Cb 0.07 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2h4v n ASN 882 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h4v s ILE 883 N -1.86 4.36 0.47 2.41 -1.09 -1.08 -5.06 121.20 119.35 2h4v s ILE 883 Ca 0.30 -1.30 0.06 0.00 -2.23 0.00 0.00 60.65 57.48 2h4v s ILE 883 Cb 0.20 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2h4v s ILE 883 CO 0.30 -0.48 0.21 -0.76 -1.23 0.00 0.00 174.94 172.98 2h4v s LEU 884 N 1.46 2.85 -0.25 2.97 1.43 -1.26 -4.70 118.68 121.18 2h4v s LEU 884 Ca 0.03 -1.23 0.03 0.00 -1.03 0.00 0.00 54.13 51.92 2h4v s LEU 884 Cb -0.23 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 44.81 2h4v s LEU 884 CO 0.03 -0.75 -0.12 0.00 0.23 0.00 0.00 176.35 175.74 2h4v s ALA 885 N -2.70 2.49 0.37 4.21 0.00 -1.26 -4.53 121.76 120.35 2h4v s ALA 885 Ca 0.32 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 2h4v s ALA 885 Cb 0.02 -1.53 -0.11 0.00 0.00 0.00 0.00 23.12 21.50 2h4v s ALA 885 CO 0.18 -1.09 1.33 0.66 0.00 0.00 0.00 175.76 176.84 2h4v n TYR 886 N 4.47 2.41 -0.19 0.00 4.01 -1.26 -4.63 117.16 121.97 2h4v n TYR 886 Ca -0.15 0.52 -0.03 0.00 -0.16 0.00 0.00 57.90 58.07 2h4v n TYR 886 Cb 0.43 -2.43 0.16 0.00 -0.31 0.00 0.00 39.34 37.19 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 2.51 0.89 1.37 7.72 3.32 -1.30 -1.35 116.42 129.59 2h4v h ASP 887 Ca -0.48 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2h4v h ASP 887 Cb 1.28 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2h4v h ASP 887 CO 0.62 0.82 0.00 1.12 -1.72 0.00 0.00 179.24 180.08 2h4v h HIS 888 N 0.94 0.00 0.00 4.55 2.07 -1.90 -3.21 115.15 117.61 2h4v h HIS 888 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2h4v h HIS 888 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2h4v h HIS 888 CO 0.02 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.75 2h4v n SER 889 N -3.03 1.29 -4.76 3.10 3.41 -1.08 -5.07 113.62 107.47 2h4v n SER 889 Ca 0.02 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.85 2h4v n SER 889 Cb 0.38 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.42 3.18 -0.06 4.33 1.70 -0.53 -1.08 118.95 126.07 2h4v s ARG 890 Ca 0.00 1.85 -0.27 0.00 -0.47 0.00 0.00 55.73 56.84 2h4v s ARG 890 Cb 0.00 -2.06 -0.03 0.00 -0.57 0.00 0.00 34.95 32.29 2h4v s ARG 890 CO 0.00 -1.05 0.85 0.08 -1.08 0.00 0.00 175.30 174.10 2h4v s VAL 891 N -1.57 4.94 -0.17 4.99 1.01 -0.57 -4.76 120.40 124.27 2h4v s VAL 891 Ca 0.74 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 64.40 2h4v s VAL 891 Cb -0.31 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2h4v s VAL 891 CO 0.34 0.16 0.04 -0.54 0.00 0.00 0.00 175.10 175.11 2h4v s LYS 892 N 1.20 3.83 0.33 2.72 1.02 -1.26 -4.24 119.74 123.34 2h4v s LYS 892 Ca 0.44 -0.37 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 2h4v s LYS 892 Cb -0.19 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 33.90 2h4v s LYS 892 CO 0.21 0.32 0.88 -0.51 -0.92 0.00 0.00 175.35 175.33 2h4v s LEU 893 N 0.22 4.22 0.29 3.17 1.43 -0.30 -5.04 118.68 122.67 2h4v s LEU 893 Ca 0.03 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.49 2h4v s LEU 893 Cb -0.13 -4.06 -0.13 0.00 0.03 0.00 0.00 46.19 41.91 2h4v s LEU 893 CO 0.01 -0.13 1.36 0.54 0.23 0.00 0.00 176.35 178.35 2h4v n ARG 894 N 0.22 2.12 -1.98 1.70 1.74 -1.26 -4.31 116.66 114.88 2h4v n ARG 894 Ca 0.02 0.75 -0.40 0.00 -0.77 0.00 0.00 57.85 57.45 2h4v n ARG 894 Cb 0.52 -2.37 -0.00 0.00 -1.02 0.00 0.00 32.46 29.58 2h4v n ARG 894 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2h4v s PRO 895 N -1.16 4.05 0.47 5.56 0.02 -1.26 -4.61 135.00 138.06 2h4v s PRO 895 Ca 0.61 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.79 2h4v s PRO 895 Cb -0.60 -2.86 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 2h4v s PRO 895 CO 0.56 -0.48 0.89 -0.51 -0.33 0.00 0.00 177.00 177.13 2h4v s LEU 896 N -2.25 3.71 0.00 -5.54 1.43 -1.26 -4.94 118.68 109.83 2h4v s LEU 896 Ca 0.55 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2h4v s LEU 896 Cb -0.41 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2h4v s LEU 896 CO 0.54 -0.51 0.00 -2.65 0.23 0.00 0.00 176.35 173.96 2h4v n PRO 897 N -1.46 0.00 -4.44 1.29 -0.02 -1.26 -4.89 135.00 124.23 2h4v n PRO 897 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 2h4v n PRO 897 Cb 0.54 -1.39 -0.09 0.00 -0.02 0.00 0.00 33.50 32.53 2h4v n PRO 897 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2h4v s SER 901 N 1.18 2.23 0.18 2.55 0.15 -1.26 -5.19 113.70 113.54 2h4v s SER 901 Ca 0.00 -1.54 -0.13 0.00 0.70 0.00 0.00 55.95 54.98 2h4v s SER 901 Cb 0.00 0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.76 2h4v s SER 901 CO 0.00 -0.81 1.74 0.50 1.20 0.00 0.00 173.24 175.87 2h4v h LYS 902 N 2.03 0.30 -0.63 5.44 1.63 -2.03 -2.13 116.57 121.18 2h4v h LYS 902 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2h4v h LYS 902 Cb 1.26 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2h4v h LYS 902 CO 0.60 0.20 0.00 0.72 -3.45 0.00 0.00 179.45 177.52 2h4v n HIS 903 N -5.04 1.70 0.68 1.91 8.25 -1.26 -4.21 115.22 117.26 2h4v n HIS 903 Ca 0.05 -0.63 0.08 0.00 -0.26 0.00 0.00 57.72 56.95 2h4v n HIS 903 Cb 0.20 -0.35 0.38 0.00 1.12 0.00 0.00 29.99 31.35 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 0.91 0.00 0.00 0.41 3.41 -0.80 -2.45 113.62 115.10 2h4v n SER 904 Ca 0.26 0.23 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 2h4v n SER 904 Cb 1.00 -0.37 0.80 0.00 -0.26 0.00 0.00 64.21 65.38 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 -1.37 0.00 -4.77 4.04 5.75 -1.26 -4.66 116.55 114.27 2h4v n ASP 905 Ca 0.06 -0.33 -0.38 0.00 -0.01 0.00 0.00 54.79 54.14 2h4v n ASP 905 Cb 0.15 -0.22 -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 -2.45 3.59 -0.04 2.11 5.04 -1.03 -1.15 117.35 123.43 2h4v s TYR 906 Ca 0.33 0.85 -0.08 0.00 -2.44 0.00 0.00 57.07 55.72 2h4v s TYR 906 Cb 0.21 -2.38 0.01 0.00 0.35 0.00 0.00 41.96 40.15 2h4v s TYR 906 CO 0.44 0.39 0.19 -1.50 -1.34 0.00 0.00 175.55 173.73 2h4v s ILE 907 N -0.12 0.04 -1.19 3.14 2.07 -1.26 -4.93 121.20 118.94 2h4v s ILE 907 Ca 0.22 -0.31 -0.20 0.00 -1.41 0.00 0.00 60.65 58.96 2h4v s ILE 907 Cb -0.15 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.13 2h4v s ILE 907 CO 0.10 -0.17 1.61 0.21 -1.91 0.00 0.00 174.94 174.78 2h4v s ASN 908 N -0.60 6.73 -0.11 4.50 3.84 -1.26 -4.65 114.94 123.38 2h4v s ASN 908 Ca -0.07 -2.12 -0.26 0.00 0.21 0.00 0.00 52.86 50.62 2h4v s ASN 908 Cb -0.04 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.16 2h4v s ASN 908 CO 0.01 -1.27 0.63 0.00 -2.79 0.00 0.00 177.10 173.68 2h4v s ALA 909 N 4.35 -1.61 0.03 1.71 0.00 -1.26 -3.12 121.76 121.86 2h4v s ALA 909 Ca 0.50 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.87 2h4v s ALA 909 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2h4v s ALA 909 CO 0.01 -0.34 -0.07 -0.80 0.00 0.00 0.00 175.76 174.56 2h4v s ASN 910 N -0.68 0.80 0.35 0.00 -0.87 -0.29 -1.51 114.94 112.74 2h4v s ASN 910 Ca -0.08 -0.44 -0.27 0.00 -1.57 0.00 0.00 52.86 50.50 2h4v s ASN 910 Cb -0.02 0.01 -0.09 0.00 -0.02 0.00 0.00 41.25 41.13 2h4v s ASN 910 CO 0.06 -0.14 1.17 -0.31 -2.57 0.00 0.00 177.10 175.32 2h4v s TYR 911 N -1.07 3.22 -0.02 2.20 2.02 -0.24 -1.03 117.35 122.43 2h4v s TYR 911 Ca -0.07 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.21 2h4v s TYR 911 Cb -0.08 -3.41 0.02 0.00 -0.40 0.00 0.00 41.96 38.08 2h4v s TYR 911 CO 0.00 -1.18 -0.02 0.08 -1.57 0.00 0.00 175.55 172.86 2h4v s VAL 912 N -1.29 0.30 0.71 0.71 1.01 -0.15 -4.76 120.40 116.93 2h4v s VAL 912 Ca 0.51 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 2h4v s VAL 912 Cb -0.33 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.75 2h4v s VAL 912 CO 0.42 0.14 1.13 -1.81 0.00 0.00 0.00 175.10 174.98 2h4v s ASP 913 N 0.61 4.70 0.28 3.32 1.01 -1.26 -1.57 116.67 123.76 2h4v s ASP 913 Ca -0.07 2.04 0.04 0.00 0.71 0.00 0.00 52.55 55.27 2h4v s ASP 913 Cb -0.10 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.32 2h4v s ASP 913 CO -0.01 -1.91 0.32 0.61 0.21 0.00 0.00 175.17 174.40 2h4v n GLY 914 N -0.45 2.27 0.20 0.21 0.00 0.11 -4.72 105.19 102.82 2h4v n GLY 914 Ca 0.11 -2.20 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 2h4v n GLY 914 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2h4v h TYR 915 N 0.23 0.19 -0.03 1.61 -0.00 -1.95 -3.29 116.97 113.73 2h4v h TYR 915 Ca -0.14 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.73 58.36 2h4v h TYR 915 Cb 0.61 -0.04 -0.38 0.00 -0.00 0.00 0.00 36.73 36.91 2h4v h TYR 915 CO 0.00 0.51 -1.03 -1.71 -0.00 0.00 0.00 178.16 175.93 2h4v n ASN 916 N -4.07 1.06 -3.56 0.10 5.15 -1.26 -5.05 115.26 107.63 2h4v n ASN 916 Ca -0.01 -2.05 -0.08 0.00 -0.60 0.00 0.00 54.58 51.83 2h4v n ASN 916 Cb 0.43 -0.32 -0.09 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.35 0.33 0.30 1.20 2.20 -1.24 -5.14 119.74 117.04 2h4v s LYS 917 Ca 0.34 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 2h4v s LYS 917 Cb 0.38 0.13 -0.11 0.00 -1.51 0.00 0.00 37.83 36.73 2h4v s LYS 917 CO -0.16 -0.36 1.50 0.00 -0.36 0.00 0.00 175.35 175.97 2h4v s ALA 918 N 2.60 3.65 -1.39 3.13 0.00 -1.26 -0.72 121.76 127.78 2h4v s ALA 918 Ca 0.03 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 2h4v s ALA 918 Cb -0.13 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2h4v s ALA 918 CO -0.14 -0.88 0.95 1.63 0.00 0.00 0.00 175.76 177.32 2h4v n LYS 919 N 1.79 -6.02 0.20 0.00 5.02 -1.25 -4.85 118.16 113.05 2h4v n LYS 919 Ca 0.06 0.68 0.07 0.00 -2.02 0.00 0.00 58.31 57.10 2h4v n LYS 919 Cb 0.39 -5.53 0.39 0.00 -0.02 0.00 0.00 35.03 30.26 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 0.94 1.05 -2.62 7.82 0.00 -1.47 -3.41 119.26 121.57 2h4v h ALA 920 Ca -0.59 -0.30 -0.46 0.00 0.00 0.00 0.00 54.91 53.56 2h4v h ALA 920 Cb 1.37 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 2h4v h ALA 920 CO 0.60 0.41 -0.76 0.71 0.00 0.00 0.00 179.25 180.21 2h4v s TYR 921 N -3.71 1.66 -0.22 0.00 2.02 -0.61 -1.51 117.35 114.99 2h4v s TYR 921 Ca -0.00 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2h4v s TYR 921 Cb 0.11 -0.82 0.00 0.00 -0.40 0.00 0.00 41.96 40.86 2h4v s TYR 921 CO 0.67 0.29 -0.06 0.42 -1.57 0.00 0.00 175.55 175.30 2h4v s ILE 922 N -2.46 3.15 -0.22 2.71 1.01 0.01 -0.97 121.20 124.42 2h4v s ILE 922 Ca 0.17 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 2h4v s ILE 922 Cb -0.03 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2h4v s ILE 922 CO 0.06 0.38 0.27 0.00 0.00 0.00 0.00 174.94 175.65 2h4v s ALA 923 N 1.43 3.59 0.08 9.38 0.00 -0.20 -0.28 121.76 135.76 2h4v s ALA 923 Ca 0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2h4v s ALA 923 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 2h4v s ALA 923 CO -0.04 -0.25 0.17 -0.08 0.00 0.00 0.00 175.76 175.55 2h4v s THR 924 N 1.20 0.15 0.87 0.00 -1.32 -0.75 -1.14 115.64 114.65 2h4v s THR 924 Ca 0.13 -1.23 -0.11 0.00 -1.21 0.00 0.00 61.69 59.26 2h4v s THR 924 Cb -0.14 -1.34 0.11 0.00 -1.51 0.00 0.00 72.50 69.62 2h4v s THR 924 CO 0.06 -0.68 1.09 0.00 -2.21 0.00 0.00 174.62 172.88 2h4v s GLN 925 N -3.83 1.47 -0.00 7.08 -2.07 -1.18 -3.79 119.66 117.33 2h4v s GLN 925 Ca 0.05 0.83 -0.30 0.00 -1.82 0.00 0.00 55.36 54.12 2h4v s GLN 925 Cb 0.05 -1.83 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 2h4v s GLN 925 CO -0.11 -2.09 1.53 0.20 -1.32 0.00 0.00 175.29 173.50 2h4v s GLY 926 N -3.49 1.68 0.65 2.60 0.00 0.41 -4.82 107.32 104.34 2h4v s GLY 926 Ca 0.63 0.97 -0.17 0.00 0.00 0.00 0.00 44.72 46.14 2h4v s GLY 926 CO 0.56 2.75 1.22 2.56 0.00 0.00 0.00 173.10 180.19 2h4v s PRO 927 N 2.95 2.65 0.35 2.90 0.04 -1.26 -4.74 135.00 137.89 2h4v s PRO 927 Ca 0.69 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 2h4v s PRO 927 Cb -0.34 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2h4v s PRO 927 CO 0.28 -1.45 0.58 -0.51 0.04 0.00 0.00 177.00 175.94 2h4v s LEU 928 N -4.48 3.98 0.28 -3.56 1.43 -1.26 -2.77 118.68 112.31 2h4v s LEU 928 Ca 0.77 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 2h4v s LEU 928 Cb -0.31 -3.44 0.66 0.00 0.03 0.00 0.00 46.19 43.14 2h4v s LEU 928 CO 0.38 -0.30 1.75 0.11 0.23 0.00 0.00 176.35 178.52 2h4v h LYS 929 N 0.96 0.60 0.00 1.70 1.57 -1.96 0.11 116.57 119.55 2h4v h LYS 929 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2h4v h LYS 929 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2h4v h LYS 929 CO 0.63 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.77 2h4v n SER 930 N -4.88 0.55 -0.10 0.86 3.41 -1.26 -2.74 113.62 109.46 2h4v n SER 930 Ca 0.21 0.68 0.01 0.00 -0.26 0.00 0.00 58.87 59.50 2h4v n SER 930 Cb 0.55 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.15 0.67 -0.16 6.66 -2.24 0.30 -4.74 114.28 112.61 2h4v n THR 931 Ca 0.01 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.92 2h4v n THR 931 Cb 0.15 0.68 0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.38 0.29 -0.48 4.78 0.04 -1.15 0.22 116.94 121.03 2h4v h PHE 932 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2h4v h PHE 932 Cb 0.39 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 2h4v h PHE 932 CO 0.03 0.09 0.31 0.93 -0.60 0.00 0.00 178.31 179.07 2h4v h GLU 933 N 0.34 0.62 -0.75 1.51 5.08 -1.85 -1.89 114.58 117.64 2h4v h GLU 933 Ca 0.24 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2h4v h GLU 933 Cb 0.26 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2h4v h GLU 933 CO -0.25 0.41 0.43 -0.44 -1.00 0.00 0.00 179.01 178.16 2h4v h ASP 934 N 0.64 0.92 0.17 1.42 3.32 -1.78 -0.75 116.42 120.36 2h4v h ASP 934 Ca 0.18 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2h4v h ASP 934 Cb -0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.26 2h4v h ASP 934 CO -0.05 0.73 -0.08 0.15 -1.72 0.00 0.00 179.24 178.27 2h4v h PHE 935 N 1.03 -0.21 -0.01 4.55 3.57 -0.63 -0.14 116.94 125.10 2h4v h PHE 935 Ca 0.27 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 2h4v h PHE 935 Cb -0.00 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2h4v h PHE 935 CO -0.01 -0.09 -0.50 -1.49 -2.23 0.00 0.00 178.31 173.99 2h4v h TRP 936 N -0.28 0.04 -0.49 0.41 4.06 -1.26 -1.46 115.95 116.97 2h4v h TRP 936 Ca -0.02 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 2h4v h TRP 936 Cb 0.22 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 2h4v h TRP 936 CO -0.05 0.53 -0.09 -0.09 -3.56 0.00 0.00 178.44 175.18 2h4v h ARG 937 N 0.02 0.89 -0.19 0.49 2.43 -0.91 -0.76 114.38 116.36 2h4v h ARG 937 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2h4v h ARG 937 Cb 0.90 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2h4v h ARG 937 CO 0.07 0.94 0.13 1.98 -1.51 0.00 0.00 179.97 181.57 2h4v h MET 938 N 0.80 0.25 -0.78 0.20 4.05 -0.64 0.15 114.93 118.97 2h4v h MET 938 Ca 0.13 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 2h4v h MET 938 Cb 0.60 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.29 2h4v h MET 938 CO 0.04 0.17 0.47 0.82 0.23 0.00 0.00 176.91 178.64 2h4v h ILE 939 N 0.26 1.02 0.38 1.77 2.04 -1.00 -0.03 117.51 121.94 2h4v h ILE 939 Ca 0.07 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2h4v h ILE 939 Cb -0.03 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2h4v h ILE 939 CO -0.02 0.16 -0.18 -0.25 0.00 0.00 0.00 178.15 177.86 2h4v h TRP 940 N 0.86 -0.48 -0.62 1.37 2.91 -0.85 -2.29 115.95 116.85 2h4v h TRP 940 Ca 0.34 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.39 2h4v h TRP 940 Cb 0.17 0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 2h4v h TRP 940 CO -0.05 -0.15 0.41 0.93 -1.03 0.00 0.00 178.44 178.55 2h4v h GLU 941 N -0.87 0.69 -0.02 2.65 5.08 -0.59 -2.29 114.58 119.23 2h4v h GLU 941 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2h4v h GLU 941 Cb 0.54 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2h4v h GLU 941 CO 0.09 0.46 -0.02 1.04 -1.00 0.00 0.00 179.01 179.57 2h4v n GLN 942 N -4.47 1.64 -3.25 2.33 1.13 -0.04 -4.95 117.38 109.78 2h4v n GLN 942 Ca 0.08 -1.00 -0.23 0.00 -1.94 0.00 0.00 57.00 53.91 2h4v n GLN 942 Cb 0.15 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.08 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 0.19 -6.23 -4.72 1.08 5.15 -0.86 -4.22 115.26 105.65 2h4v n ASN 943 Ca 0.18 -0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 53.36 2h4v n ASN 943 Cb 0.37 -4.98 -0.03 0.00 -0.53 0.00 0.00 39.78 34.61 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 -3.24 3.92 -0.29 -0.44 2.01 -0.91 -1.19 115.64 115.50 2h4v s THR 944 Ca 0.41 1.45 0.09 0.00 0.31 0.00 0.00 61.69 63.96 2h4v s THR 944 Cb -0.18 -3.93 -0.11 0.00 0.01 0.00 0.00 72.50 68.29 2h4v s THR 944 CO 0.51 0.16 0.32 0.61 -0.69 0.00 0.00 174.62 175.53 2h4v n GLY 945 N 2.86 -0.03 2.91 4.40 0.00 -1.26 -4.86 105.19 109.21 2h4v n GLY 945 Ca 0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.10 0.63 -0.13 -0.61 -1.09 -1.26 -1.35 121.20 115.29 2h4v s ILE 946 Ca 0.01 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2h4v s ILE 946 Cb 0.06 -0.63 -0.02 0.00 -1.58 0.00 0.00 42.46 40.29 2h4v s ILE 946 CO 0.37 0.24 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.61 2h4v s ILE 947 N 0.88 3.43 -0.26 2.92 1.01 -0.17 -1.31 121.20 127.69 2h4v s ILE 947 Ca -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2h4v s ILE 947 Cb -0.15 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.90 2h4v s ILE 947 CO 0.01 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.74 2h4v s VAL 948 N 0.13 2.93 -0.21 2.92 1.01 0.13 -0.22 120.40 127.09 2h4v s VAL 948 Ca -0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 2h4v s VAL 948 Cb -0.14 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2h4v s VAL 948 CO 0.04 0.13 -0.07 -0.32 0.00 0.00 0.00 175.10 174.88 2h4v s MET 949 N 1.31 3.31 -0.47 2.72 0.00 0.03 -0.79 119.30 125.43 2h4v s MET 949 Ca -0.01 -0.66 0.06 0.00 0.00 0.00 0.00 55.69 55.07 2h4v s MET 949 Cb -0.17 -2.92 0.40 0.00 0.00 0.00 0.00 34.83 32.14 2h4v s MET 949 CO -0.03 -0.19 1.07 -0.89 0.00 0.00 0.00 175.02 174.97 2h4v n ILE 950 N 4.73 2.45 -3.47 10.11 5.41 0.05 -0.47 119.36 138.17 2h4v n ILE 950 Ca -0.19 -5.01 -0.13 0.00 1.00 0.00 0.00 62.75 58.42 2h4v n ILE 950 Cb 0.51 -1.22 -0.03 0.00 -0.71 0.00 0.00 39.64 38.18 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 -5.20 0.00 0.45 1.39 -1.32 -1.24 -4.71 115.64 105.00 2h4v s THR 951 Ca 0.47 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.93 2h4v s THR 951 Cb 0.38 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.34 2h4v s THR 951 CO -0.17 0.00 0.70 0.20 -2.21 0.00 0.00 174.62 173.14 2h4v s ASN 952 N -2.18 6.09 0.15 8.08 0.01 -1.26 -4.80 114.94 121.03 2h4v s ASN 952 Ca -0.02 0.60 -0.15 0.00 -0.71 0.00 0.00 52.86 52.59 2h4v s ASN 952 Cb -0.01 -1.95 0.03 0.00 0.41 0.00 0.00 41.25 39.74 2h4v s ASN 952 CO -0.05 -0.58 1.76 -0.07 -1.51 0.00 0.00 177.10 176.65 2h4v h LEU 953 N 0.38 0.59 -7.90 0.60 3.38 -1.95 -3.39 115.31 107.02 2h4v h LEU 953 Ca -0.47 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 56.88 2h4v h LEU 953 Cb 1.23 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 41.48 2h4v h LEU 953 CO 0.60 0.52 -0.81 -0.69 0.09 0.00 0.00 178.44 178.15 2h4v s VAL 954 N -5.83 1.11 -0.35 1.22 1.01 -1.26 -0.29 120.40 116.01 2h4v s VAL 954 Ca -0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2h4v s VAL 954 Cb 0.11 -1.05 0.08 0.00 0.00 0.00 0.00 36.38 35.52 2h4v s VAL 954 CO 0.75 0.36 0.09 -1.61 0.00 0.00 0.00 175.10 174.69 2h4v s GLU 955 N 0.97 2.19 -1.41 2.72 2.02 0.03 -4.68 118.70 120.55 2h4v s GLU 955 Ca -0.09 -1.53 -0.05 0.00 0.02 0.00 0.00 54.97 53.33 2h4v s GLU 955 Cb -0.15 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.76 2h4v s GLU 955 CO 0.00 -0.82 0.73 1.63 0.02 0.00 0.00 175.26 176.81 2h4v n LYS 956 N 4.59 -4.68 -0.22 1.61 4.01 -1.26 -2.01 118.16 120.20 2h4v n LYS 956 Ca -0.07 0.56 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 2h4v n LYS 956 Cb 0.42 -5.13 0.00 0.00 -0.51 0.00 0.00 35.03 29.81 2h4v n LYS 956 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2h4v n GLY 957 N -1.68 1.05 3.55 0.72 0.00 -1.26 -5.04 105.19 102.53 2h4v n GLY 957 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.55 3.83 -0.07 1.61 0.52 -0.85 -5.06 118.95 118.37 2h4v s ARG 958 Ca 0.00 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2h4v s ARG 958 Cb 0.00 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2h4v s ARG 958 CO 0.00 0.06 1.39 0.50 0.02 0.00 0.00 175.30 177.27 2h4v s ARG 959 N 0.96 4.25 -0.07 3.54 6.06 -1.26 -0.79 118.95 131.64 2h4v s ARG 959 Ca 0.04 1.88 0.07 0.00 -2.50 0.00 0.00 55.73 55.22 2h4v s ARG 959 Cb -0.14 -3.72 -0.09 0.00 0.06 0.00 0.00 34.95 31.05 2h4v s ARG 959 CO 0.03 -0.66 0.03 1.63 -2.50 0.00 0.00 175.30 173.82 2h4v n LYS 960 N 6.14 2.77 -3.59 5.12 4.76 0.60 -4.97 118.16 128.99 2h4v n LYS 960 Ca 0.14 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.43 2h4v n LYS 960 Cb 0.44 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 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 -0.23 6.53 -0.65 0.00 1.01 -1.11 -4.56 116.67 117.65 2h4v s ASP 962 Ca -0.04 0.87 -0.28 0.00 0.71 0.00 0.00 52.55 53.82 2h4v s ASP 962 Cb -0.03 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2h4v s ASP 962 CO 0.04 -0.19 1.23 -1.58 0.21 0.00 0.00 175.17 174.87 2h4v s GLN 963 N -3.35 3.36 0.00 8.23 0.74 -1.26 -4.71 119.66 122.67 2h4v s GLN 963 Ca 0.47 0.01 0.19 0.00 0.05 0.00 0.00 55.36 56.08 2h4v s GLN 963 Cb -0.11 -4.09 0.52 0.00 1.10 0.00 0.00 33.01 30.43 2h4v s GLN 963 CO 0.27 -1.89 1.43 2.48 -0.55 0.00 0.00 175.29 177.03 2h4v n TYR 964 N 8.84 0.60 -4.27 1.67 0.18 -1.26 -4.89 117.16 118.03 2h4v n TYR 964 Ca 0.06 -0.30 -0.17 0.00 1.88 0.00 0.00 57.90 59.37 2h4v n TYR 964 Cb 0.49 0.00 -0.10 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 -1.40 1.42 0.17 -3.48 -2.14 -1.26 -5.06 118.94 107.19 2h4v s TRP 965 Ca 0.37 -0.63 -0.30 0.00 2.66 0.00 0.00 56.10 58.19 2h4v s TRP 965 Cb 0.20 -0.71 -0.08 0.00 -3.10 0.00 0.00 33.47 29.78 2h4v s TRP 965 CO 0.27 0.17 1.17 -1.25 -2.66 0.00 0.00 176.95 174.65 2h4v s PRO 966 N -3.27 4.51 0.27 3.25 0.04 -1.26 -4.93 135.00 133.61 2h4v s PRO 966 Ca 0.15 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2h4v s PRO 966 Cb -0.01 -3.26 0.37 0.00 0.04 0.00 0.00 34.50 31.63 2h4v s PRO 966 CO 0.03 -0.07 1.88 1.15 0.04 0.00 0.00 177.00 180.03 2h4v h THR 967 N 3.83 1.23 -3.37 1.26 2.02 -1.97 -3.44 112.91 112.46 2h4v h THR 967 Ca -0.44 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 2h4v h THR 967 Cb 1.21 0.29 -0.17 0.00 -1.74 0.00 0.00 68.15 67.74 2h4v h THR 967 CO 0.75 0.27 -0.28 -1.83 0.37 0.00 0.00 175.52 174.79 2h4v s GLU 968 N -5.61 0.78 5.78 6.66 4.04 -1.26 -5.04 118.70 124.05 2h4v s GLU 968 Ca -0.11 -0.54 0.00 0.00 0.04 0.00 0.00 54.97 54.36 2h4v s GLU 968 Cb 0.17 0.34 0.00 0.00 0.02 0.00 0.00 34.13 34.65 2h4v s GLU 968 CO 0.81 -0.25 0.00 0.09 -1.84 0.00 0.00 175.26 174.07 2h4v n ASN 969 N 0.59 0.00 -4.48 0.83 5.03 -1.26 -4.80 115.26 111.17 2h4v n ASN 969 Ca -0.19 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 54.99 2h4v n ASN 969 Cb 0.59 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.24 2h4v n ASN 969 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2h4v s SER 970 N -4.00 3.76 0.03 6.41 0.01 -1.26 -1.31 113.70 117.35 2h4v s SER 970 Ca 0.00 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.59 2h4v s SER 970 Cb 0.00 -0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 2h4v s SER 970 CO 0.00 0.14 -0.06 -0.70 0.41 0.00 0.00 173.24 173.03 2h4v s GLU 971 N -2.47 0.44 -0.17 12.44 2.56 -0.27 -4.95 118.70 126.29 2h4v s GLU 971 Ca 0.20 -0.64 -0.06 0.00 0.00 0.00 0.00 54.97 54.47 2h4v s GLU 971 Cb -0.09 -0.19 -0.04 0.00 2.00 0.00 0.00 34.13 35.81 2h4v s GLU 971 CO 0.11 0.03 0.05 -2.00 -0.56 0.00 0.00 175.26 172.88 2h4v s GLU 972 N -1.36 3.82 -0.52 4.30 2.12 -1.26 -1.00 118.70 124.81 2h4v s GLU 972 Ca -0.10 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.91 2h4v s GLU 972 Cb -0.09 -3.14 0.14 0.00 0.26 0.00 0.00 34.13 31.31 2h4v s GLU 972 CO -0.00 0.34 0.30 0.71 -0.54 0.00 0.00 175.26 176.07 2h4v s TYR 973 N 0.17 2.65 0.00 5.30 2.02 0.85 -5.00 117.35 123.33 2h4v s TYR 973 Ca 0.04 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 53.88 2h4v s TYR 973 Cb -0.12 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 2h4v s TYR 973 CO 0.01 -0.72 0.00 0.41 -1.57 0.00 0.00 175.55 173.67 2h4v n GLY 974 N 3.04 2.94 0.50 0.71 0.00 -1.26 -2.20 105.19 108.92 2h4v n GLY 974 Ca 0.11 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 6.79 1.53 -4.41 1.61 3.02 -1.26 -4.79 115.26 117.75 2h4v n ASN 975 Ca 0.00 -1.64 -0.36 0.00 -0.03 0.00 0.00 54.58 52.55 2h4v n ASN 975 Cb 0.00 -0.08 -0.13 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.84 4.07 -0.24 2.41 -1.09 -0.93 -0.27 121.20 123.30 2h4v s ILE 976 Ca 0.33 -0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 2h4v s ILE 976 Cb 0.18 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2h4v s ILE 976 CO 0.28 0.36 0.13 -0.63 -1.23 0.00 0.00 174.94 173.85 2h4v s ILE 977 N 1.58 5.07 -0.16 2.92 1.01 0.13 -0.11 121.20 131.64 2h4v s ILE 977 Ca 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 2h4v s ILE 977 Cb -0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2h4v s ILE 977 CO 0.02 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.53 2h4v s VAL 978 N 1.20 3.42 -0.11 2.92 1.01 -0.17 -0.99 120.40 127.67 2h4v s VAL 978 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2h4v s VAL 978 Cb -0.14 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2h4v s VAL 978 CO 0.05 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 2h4v s THR 979 N 0.57 1.67 -0.11 3.92 2.01 0.14 -1.11 115.64 122.72 2h4v s THR 979 Ca -0.05 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2h4v s THR 979 Cb -0.15 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2h4v s THR 979 CO 0.03 0.47 1.18 -0.22 -0.69 0.00 0.00 174.62 175.40 2h4v s LEU 980 N 0.87 4.23 -0.22 4.42 2.96 -0.43 -1.05 118.68 129.46 2h4v s LEU 980 Ca -0.08 1.70 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 2h4v s LEU 980 Cb -0.15 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 2h4v s LEU 980 CO -0.00 -0.63 -0.18 0.29 -1.32 0.00 0.00 176.35 174.51 2h4v n LYS 981 N 5.71 0.61 -3.47 1.98 4.76 0.50 -4.33 118.16 123.91 2h4v n LYS 981 Ca 0.12 0.12 -0.14 0.00 -2.87 0.00 0.00 58.31 55.53 2h4v n LYS 981 Cb 0.46 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.16 2h4v n LYS 981 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2h4v s SER 982 N -6.10 -0.59 -0.02 4.39 1.04 -1.10 -4.99 113.70 106.32 2h4v s SER 982 Ca -0.29 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.47 2h4v s SER 982 Cb 0.08 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 2h4v s SER 982 CO 0.54 -0.77 -0.02 -0.89 0.98 0.00 0.00 173.24 173.08 2h4v s THR 983 N -2.53 0.27 -0.12 2.02 2.01 -1.26 -0.81 115.64 115.21 2h4v s THR 983 Ca -0.04 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2h4v s THR 983 Cb -0.01 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2h4v s THR 983 CO -0.03 0.14 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.09 2h4v s LYS 984 N 0.67 2.75 -0.18 4.92 2.20 0.26 -4.99 119.74 125.37 2h4v s LYS 984 Ca -0.07 -0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 2h4v s LYS 984 Cb -0.10 -2.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2h4v s LYS 984 CO -0.01 0.00 -0.05 0.42 -0.36 0.00 0.00 175.35 175.36 2h4v s ILE 985 N 0.78 3.62 0.45 5.43 1.01 -1.26 -0.19 121.20 131.04 2h4v s ILE 985 Ca -0.09 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.18 2h4v s ILE 985 Cb -0.16 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2h4v s ILE 985 CO 0.00 0.47 0.20 -1.00 0.00 0.00 0.00 174.94 174.60 2h4v s HIS 986 N 0.77 2.31 0.25 3.97 3.76 0.46 -5.01 115.29 121.80 2h4v s HIS 986 Ca -0.02 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.15 2h4v s HIS 986 Cb -0.15 -1.90 0.29 0.00 1.11 0.00 0.00 32.58 31.93 2h4v s HIS 986 CO 0.02 0.07 1.91 0.00 -0.85 0.00 0.00 174.74 175.88 2h4v h ALA 987 N 1.29 1.26 -0.00 -1.40 0.00 -2.02 -3.23 119.26 115.15 2h4v h ALA 987 Ca -0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2h4v h ALA 987 Cb 1.27 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2h4v h ALA 987 CO 0.68 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 180.40 2h4v s TYR 989 N -0.79 -0.44 0.01 0.00 -0.85 -1.22 -0.98 117.35 113.08 2h4v s TYR 989 Ca 0.04 0.20 0.07 0.00 -0.52 0.00 0.00 57.07 56.86 2h4v s TYR 989 Cb 0.04 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 2h4v s TYR 989 CO 0.11 -0.80 -0.21 0.99 -1.52 0.00 0.00 175.55 174.12 2h4v s THR 990 N -3.73 1.68 -0.14 -3.49 2.01 0.17 -0.40 115.64 111.73 2h4v s THR 990 Ca 0.01 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.99 2h4v s THR 990 Cb -0.00 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2h4v s THR 990 CO -0.12 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.29 2h4v s VAL 991 N -0.63 2.44 -0.11 3.82 1.01 0.73 -0.33 120.40 127.33 2h4v s VAL 991 Ca 0.08 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2h4v s VAL 991 Cb -0.08 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2h4v s VAL 991 CO 0.00 0.53 -0.17 -0.13 0.00 0.00 0.00 175.10 175.33 2h4v s ARG 992 N 0.74 3.22 -0.20 2.72 0.52 -0.08 -0.58 118.95 125.29 2h4v s ARG 992 Ca -0.07 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 2h4v s ARG 992 Cb -0.16 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2h4v s ARG 992 CO 0.01 0.22 0.06 0.50 0.02 0.00 0.00 175.30 176.11 2h4v s ARG 993 N 0.30 3.88 0.24 3.54 3.52 0.01 -0.30 118.95 130.14 2h4v s ARG 993 Ca -0.13 -0.39 0.09 0.00 -0.13 0.00 0.00 55.73 55.17 2h4v s ARG 993 Cb -0.16 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2h4v s ARG 993 CO 0.07 0.14 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.60 2h4v s PHE 994 N 0.72 2.67 -0.10 5.12 0.08 0.11 -0.37 117.98 126.20 2h4v s PHE 994 Ca 0.03 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.86 2h4v s PHE 994 Cb -0.13 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 2h4v s PHE 994 CO 0.02 0.59 -0.09 0.45 -0.10 0.00 0.00 175.22 176.09 2h4v s SER 995 N -3.40 4.40 0.03 1.36 0.15 -0.22 -1.68 113.70 114.35 2h4v s SER 995 Ca 0.29 -0.16 0.09 0.00 0.70 0.00 0.00 55.95 56.87 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 0.18 0.27 -0.26 0.27 1.20 0.00 0.00 173.24 174.90 2h4v s ILE 996 N -0.23 2.05 -0.05 6.45 -4.36 0.67 -0.69 121.20 125.04 2h4v s ILE 996 Ca 0.02 -1.29 0.03 0.00 -0.26 0.00 0.00 60.65 59.15 2h4v s ILE 996 Cb -0.13 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.84 2h4v s ILE 996 CO 0.03 0.41 -0.12 -0.60 0.24 0.00 0.00 174.94 174.89 2h4v s ARG 997 N -1.06 1.52 -0.34 0.37 3.52 -0.17 -0.16 118.95 122.64 2h4v s ARG 997 Ca 0.11 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 55.10 2h4v s ARG 997 Cb -0.10 -1.30 -0.01 0.00 -1.56 0.00 0.00 34.95 31.98 2h4v s ARG 997 CO 0.01 0.10 0.52 1.21 -0.81 0.00 0.00 175.30 176.33 2h4v s ASN 998 N 0.40 6.33 0.00 -2.12 3.84 -0.80 -0.69 114.94 121.90 2h4v s ASN 998 Ca -0.09 0.04 0.30 0.00 0.21 0.00 0.00 52.86 53.32 2h4v s ASN 998 Cb -0.13 -2.27 1.39 0.00 -0.55 0.00 0.00 41.25 39.68 2h4v s ASN 998 CO 0.02 -0.46 1.99 0.35 -2.79 0.00 0.00 177.10 176.22 2h4v n THR 999 N 5.40 0.00 0.87 -5.21 -2.24 0.63 -1.23 114.28 112.50 2h4v n THR 999 Ca -0.05 -0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 2h4v n THR 999 Cb 0.49 -0.49 0.14 0.00 -2.10 0.00 0.00 70.33 68.37 2h4v n THR 999 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2h4v n LYS 1000N -1.38 1.88 -1.26 -0.78 0.00 -1.26 -5.12 118.16 110.23 2h4v n LYS 1000Ca 0.11 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.25 2h4v n LYS 1000Cb 0.29 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 2h4v n LYS 1000CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2h4v n VAL 1001N 0.40 -1.70 0.02 0.58 0.24 -0.36 -5.25 118.33 112.25 2h4v n VAL 1001Ca 0.11 0.80 0.00 0.00 -2.04 0.00 0.00 64.34 63.21 2h4v n VAL 1001Cb 0.33 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 2h4v n VAL 1001CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2h4v n ASN 1014N -1.56 0.15 -4.19 -1.34 5.15 -1.26 -4.76 115.26 107.45 2h4v n ASN 1014Ca 0.00 0.06 -0.23 0.00 -0.60 0.00 0.00 54.58 53.81 2h4v n ASN 1014Cb 0.09 -0.02 -0.14 0.00 -0.53 0.00 0.00 39.78 39.18 2h4v n ASN 1014CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2h4v s GLU 1015N -2.00 1.23 0.05 1.20 2.02 -1.26 -1.91 118.70 118.02 2h4v s GLU 1015Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2h4v s GLU 1015Cb 0.00 -1.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 2h4v s GLU 1015CO 0.00 0.33 -0.04 1.03 0.02 0.00 0.00 175.26 176.59 2h4v s ARG 1016N -0.97 0.53 -0.06 1.61 0.52 0.78 -4.95 118.95 116.40 2h4v s ARG 1016Ca 0.05 -0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 54.15 2h4v s ARG 1016Cb -0.08 0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.35 2h4v s ARG 1016CO 0.01 -0.04 0.48 0.08 0.02 0.00 0.00 175.30 175.85 2h4v s VAL 1017N -2.53 5.08 -0.07 3.52 1.01 -1.26 -0.24 120.40 125.91 2h4v s VAL 1017Ca -0.03 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2h4v s VAL 1017Cb -0.02 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2h4v s VAL 1017CO -0.04 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 2h4v s VAL 1018N -0.01 0.98 -0.16 2.92 1.01 -0.67 -4.69 120.40 119.77 2h4v s VAL 1018Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2h4v s VAL 1018Cb -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2h4v s VAL 1018CO 0.12 0.33 -0.07 -0.63 0.00 0.00 0.00 175.10 174.85 2h4v s ILE 1019N 0.97 3.48 -0.26 2.22 -1.09 -0.46 0.05 121.20 126.11 2h4v s ILE 1019Ca -0.09 -0.50 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 2h4v s ILE 1019Cb -0.15 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2h4v s ILE 1019CO 0.00 0.49 0.05 -1.58 -1.23 0.00 0.00 174.94 172.67 2h4v s GLN 1020N 0.60 3.44 -0.44 2.79 0.74 0.60 -1.00 119.66 126.38 2h4v s GLN 1020Ca -0.05 -0.62 -0.17 0.00 0.05 0.00 0.00 55.36 54.58 2h4v s GLN 1020Cb -0.15 -3.27 0.04 0.00 1.10 0.00 0.00 33.01 30.72 2h4v s GLN 1020CO 0.03 -0.26 0.43 0.71 -0.55 0.00 0.00 175.29 175.64 2h4v s TYR 1021N 1.55 3.18 -0.38 1.67 2.02 0.70 -0.91 117.35 125.19 2h4v s TYR 1021Ca 0.05 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 2h4v s TYR 1021Cb -0.15 -2.99 0.08 0.00 -0.40 0.00 0.00 41.96 38.49 2h4v s TYR 1021CO 0.02 -0.75 0.16 -1.58 -1.57 0.00 0.00 175.55 171.83 2h4v s HIS 1022N 2.02 3.43 -0.11 2.71 5.65 0.55 -0.79 115.29 128.74 2h4v s HIS 1022Ca 0.09 -2.00 -0.30 0.00 0.25 0.00 0.00 55.06 53.11 2h4v s HIS 1022Cb -0.19 -2.82 -0.02 0.00 -1.18 0.00 0.00 32.58 28.37 2h4v s HIS 1022CO 0.11 -0.88 1.20 -0.47 -0.65 0.00 0.00 174.74 174.05 2h4v s TYR 1023N 1.25 3.09 -1.36 3.88 5.04 0.37 -0.66 117.35 128.98 2h4v s TYR 1023Ca 0.03 1.18 0.11 0.00 -2.44 0.00 0.00 57.07 55.95 2h4v s TYR 1023Cb -0.22 -3.43 0.08 0.00 0.35 0.00 0.00 41.96 38.75 2h4v s TYR 1023CO -0.01 -1.32 0.84 0.25 -1.34 0.00 0.00 175.55 173.96 2h4v n THR 1024N 4.95 0.00 -1.34 4.34 -2.24 -0.15 -3.63 114.28 116.20 2h4v n THR 1024Ca 0.12 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2h4v n THR 1024Cb 0.46 1.23 0.14 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.60 1.17 -2.26 -0.78 1.13 -1.20 -4.88 117.38 111.16 2h4v n GLN 1025Ca 0.06 -2.56 -0.42 0.00 -1.94 0.00 0.00 57.00 52.14 2h4v n GLN 1025Cb 0.27 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.56 3.31 0.56 1.08 -0.11 -1.26 -4.95 118.94 115.01 2h4v s TRP 1026Ca 0.30 1.12 -0.19 0.00 1.22 0.00 0.00 56.10 58.54 2h4v s TRP 1026Cb 0.28 -3.58 -0.05 0.00 -1.50 0.00 0.00 33.47 28.61 2h4v s TRP 1026CO -0.00 -1.93 1.17 -1.25 -4.62 0.00 0.00 176.95 170.32 2h4v s PRO 1027N 0.83 3.21 0.37 5.86 0.04 -1.26 -4.92 135.00 139.12 2h4v s PRO 1027Ca 0.61 1.73 0.14 0.00 0.04 0.00 0.00 61.00 63.52 2h4v s PRO 1027Cb -0.34 -2.00 0.72 0.00 0.04 0.00 0.00 34.50 32.91 2h4v s PRO 1027CO 0.31 -0.99 1.81 0.38 0.04 0.00 0.00 177.00 178.55 2h4v h ASP 1028N 1.12 0.00 -4.11 6.66 2.03 -1.96 -3.41 116.42 116.75 2h4v h ASP 1028Ca -0.50 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.11 2h4v h ASP 1028Cb 1.28 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.52 2h4v h ASP 1028CO 0.56 0.39 -0.81 -0.04 -1.03 0.00 0.00 179.24 178.31 2h4v s MET 1029N -4.07 2.49 3.37 4.15 -1.94 -1.26 -5.07 119.30 116.97 2h4v s MET 1029Ca -0.02 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 2h4v s MET 1029Cb 0.14 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.68 2h4v s MET 1029CO 0.72 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 176.68 2h4v n GLY 1030N 2.52 0.04 3.38 -0.03 0.00 -1.26 -4.91 105.19 104.92 2h4v n GLY 1030Ca -0.17 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 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 1.96 0.30 1.61 -7.23 -1.26 -4.74 120.40 111.03 2h4v s VAL 1031Ca 0.00 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.61 2h4v s VAL 1031Cb 0.00 -2.13 -0.13 0.00 0.56 0.00 0.00 36.38 34.69 2h4v s VAL 1031CO 0.00 -0.53 1.34 -2.65 -0.31 0.00 0.00 175.10 172.95 2h4v n PRO 1032N -0.46 2.09 0.20 4.82 -0.02 -1.26 -4.80 135.00 135.58 2h4v n PRO 1032Ca -0.07 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2h4v n PRO 1032Cb 0.60 -2.35 0.39 0.00 -0.02 0.00 0.00 33.50 32.13 2h4v n PRO 1032CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2h4v h GLU 1033N 3.28 0.00 -4.56 -0.52 9.09 -1.98 -3.42 114.58 116.46 2h4v h GLU 1033Ca -0.45 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.38 2h4v h GLU 1033Cb 1.28 0.00 -0.36 0.00 -1.65 0.00 0.00 28.75 28.02 2h4v h GLU 1033CO 0.68 0.32 -0.83 0.71 0.05 0.00 0.00 179.01 179.94 2h4v s TYR 1034N -3.68 1.94 0.17 2.06 2.02 -1.26 -5.03 117.35 113.57 2h4v s TYR 1034Ca -0.00 -1.03 0.19 0.00 -0.37 0.00 0.00 57.07 55.86 2h4v s TYR 1034Cb 0.11 -1.46 0.68 0.00 -0.40 0.00 0.00 41.96 40.89 2h4v s TYR 1034CO 0.67 -0.59 1.74 0.00 -1.57 0.00 0.00 175.55 175.80 2h4v h ALA 1035N 7.94 1.00 -0.23 3.71 0.00 -1.95 -3.36 119.26 126.37 2h4v h ALA 1035Ca -0.35 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.27 2h4v h ALA 1035Cb 1.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2h4v h ALA 1035CO 0.49 0.47 -0.04 1.25 0.00 0.00 0.00 179.25 181.42 2h4v h LEU 1036N 0.00 -0.17 -1.82 0.00 5.85 -1.95 0.25 115.31 117.47 2h4v h LEU 1036Ca -0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2h4v h LEU 1036Cb 0.89 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2h4v h LEU 1036CO 0.05 -0.06 -0.10 1.55 -0.34 0.00 0.00 178.44 179.55 2h4v h PRO 1037N 0.03 0.00 -0.24 5.25 0.13 -2.01 -0.78 132.00 134.38 2h4v h PRO 1037Ca 0.11 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.10 2h4v h PRO 1037Cb 0.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 2h4v h PRO 1037CO -0.22 0.10 -0.40 0.28 -0.23 0.00 0.00 178.00 177.53 2h4v h VAL 1038N 0.00 1.31 -0.49 1.56 2.07 -1.47 -1.68 116.25 117.55 2h4v h VAL 1038Ca -0.00 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 65.95 2h4v h VAL 1038Cb 0.18 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2h4v h VAL 1038CO 0.01 0.51 0.25 -0.07 0.02 0.00 0.00 177.57 178.30 2h4v h LEU 1039N 0.41 0.38 -0.55 2.57 3.38 -0.30 0.21 115.31 121.42 2h4v h LEU 1039Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h4v h LEU 1039Cb 1.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2h4v h LEU 1039CO 0.09 0.26 0.26 0.74 0.09 0.00 0.00 178.44 179.88 2h4v h THR 1040N 0.50 1.20 -0.23 0.22 2.02 -1.10 0.19 112.91 115.72 2h4v h THR 1040Ca 0.21 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2h4v h THR 1040Cb 0.10 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2h4v h THR 1040CO -0.14 0.23 0.14 0.15 0.37 0.00 0.00 175.52 176.28 2h4v h PHE 1041N 0.74 0.27 -0.31 3.16 3.57 -0.82 -0.17 116.94 123.38 2h4v h PHE 1041Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2h4v h PHE 1041Cb 0.13 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2h4v h PHE 1041CO -0.00 0.17 0.19 0.28 -2.23 0.00 0.00 178.31 176.72 2h4v h VAL 1042N 0.30 1.10 -0.28 1.41 2.07 -0.15 -1.26 116.25 119.43 2h4v h VAL 1042Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2h4v h VAL 1042Cb -0.03 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2h4v h VAL 1042CO -0.03 0.09 0.17 0.03 0.02 0.00 0.00 177.57 177.86 2h4v h ARG 1043N 0.40 0.38 -0.30 1.57 3.08 -0.35 -0.88 114.38 118.29 2h4v h ARG 1043Ca 0.11 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2h4v h ARG 1043Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2h4v h ARG 1043CO -0.02 0.29 -0.18 0.00 -1.07 0.00 0.00 179.97 178.99 2h4v h ARG 1044N 0.36 0.65 -0.06 0.04 3.08 -0.95 -0.72 114.38 116.78 2h4v h ARG 1044Ca 0.10 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 2h4v h ARG 1044Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2h4v h ARG 1044CO -0.02 0.89 -0.45 0.66 -1.07 0.00 0.00 179.97 179.98 2h4v h SER 1045N 0.40 0.14 0.09 7.04 4.64 -1.22 -2.57 113.55 122.08 2h4v h SER 1045Ca 0.06 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2h4v h SER 1045Cb 0.71 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2h4v h SER 1045CO 0.05 0.58 -0.99 0.77 -0.87 0.00 0.00 176.83 176.36 2h4v h SER 1046N 0.11 0.80 0.03 4.97 4.64 -1.09 -3.16 113.55 119.84 2h4v h SER 1046Ca 0.01 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2h4v h SER 1046Cb 0.84 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2h4v h SER 1046CO 0.06 1.43 -0.02 0.00 -0.87 0.00 0.00 176.83 177.44 2h4v h ALA 1047N 0.52 1.68 0.00 5.18 0.00 -0.94 -2.52 119.26 123.19 2h4v h ALA 1047Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2h4v h ALA 1047Cb 1.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2h4v h ALA 1047CO 0.19 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2h4v h ALA 1048N 1.98 1.00 -2.17 0.00 0.00 -1.42 -3.43 119.26 115.22 2h4v h ALA 1048Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2h4v h ALA 1048Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2h4v h ALA 1048CO 0.00 0.00 1.03 0.50 0.00 0.00 0.00 179.25 180.78 2h4v s ARG 1049N -3.52 4.12 0.31 0.00 3.52 -0.95 -4.99 118.95 117.44 2h4v s ARG 1049Ca 0.02 1.89 0.02 0.00 -0.13 0.00 0.00 55.73 57.53 2h4v s ARG 1049Cb 0.09 -3.92 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 2h4v s ARG 1049CO 0.44 -0.89 0.49 -1.64 -0.81 0.00 0.00 175.30 172.89 2h4v s MET 1050N 3.98 3.47 0.61 5.12 -1.94 -1.26 -5.07 119.30 124.21 2h4v s MET 1050Ca 0.66 -0.46 -0.20 0.00 -1.71 0.00 0.00 55.69 53.99 2h4v s MET 1050Cb -0.27 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 2h4v s MET 1050CO 0.24 0.24 1.33 -2.14 -0.01 0.00 0.00 175.02 174.68 2h4v s PRO 1051N -4.19 2.79 -1.32 2.03 0.02 -1.26 -3.56 135.00 129.50 2h4v s PRO 1051Ca 0.38 2.16 -0.06 0.00 0.02 0.00 0.00 61.00 63.50 2h4v s PRO 1051Cb -0.09 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.41 2h4v s PRO 1051CO 0.34 -1.44 0.76 0.39 -0.33 0.00 0.00 177.00 176.72 2h4v n GLU 1052N -1.54 -5.53 -4.50 5.54 -0.58 -1.26 -5.00 120.64 107.77 2h4v n GLU 1052Ca 0.14 0.79 -0.26 0.00 -0.42 0.00 0.00 57.16 57.40 2h4v n GLU 1052Cb 0.47 -5.50 -0.10 0.00 -0.57 0.00 0.00 31.44 25.74 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 -3.19 2.24 1.15 2.62 -4.23 -1.23 -5.15 115.64 107.85 2h4v s THR 1053Ca 0.38 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.63 2h4v s THR 1053Cb -0.17 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.14 2h4v s THR 1053CO 0.47 -0.13 1.15 -0.83 -0.54 0.00 0.00 174.62 174.73 2h4v s GLY 1054N -3.68 1.62 0.65 3.99 0.00 -0.33 -4.98 107.32 104.59 2h4v s GLY 1054Ca 0.34 -0.98 -0.17 0.00 0.00 0.00 0.00 44.72 43.91 2h4v s GLY 1054CO 0.18 -0.12 1.24 -4.14 0.00 0.00 0.00 173.10 170.25 2h4v s PRO 1055N -5.49 2.58 -0.00 2.90 0.02 -1.26 -4.62 135.00 129.13 2h4v s PRO 1055Ca 0.71 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 2h4v s PRO 1055Cb -0.09 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2h4v s PRO 1055CO 0.55 -1.53 1.06 0.08 -0.33 0.00 0.00 177.00 176.84 2h4v s VAL 1056N -1.65 4.58 -0.18 3.83 1.01 -0.57 -4.40 120.40 123.02 2h4v s VAL 1056Ca 0.78 1.86 -0.22 0.00 0.00 0.00 0.00 61.98 64.40 2h4v s VAL 1056Cb -0.32 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2h4v s VAL 1056CO 0.39 0.11 0.69 -0.22 0.00 0.00 0.00 175.10 176.07 2h4v s LEU 1057N 1.28 4.17 -0.11 3.92 0.20 -0.43 -0.81 118.68 126.90 2h4v s LEU 1057Ca 0.54 0.95 0.03 0.00 0.69 0.00 0.00 54.13 56.34 2h4v s LEU 1057Cb -0.23 -3.00 0.00 0.00 -0.43 0.00 0.00 46.19 42.54 2h4v s LEU 1057CO 0.26 -0.29 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.12 2h4v s VAL 1058N 1.88 1.97 0.07 1.68 1.01 0.62 0.17 120.40 127.80 2h4v s VAL 1058Ca 0.32 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2h4v s VAL 1058Cb -0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2h4v s VAL 1058CO 0.11 0.54 0.12 -1.38 0.00 0.00 0.00 175.10 174.49 2h4v s HIS 1059N 0.50 0.25 0.00 5.22 -3.43 0.03 -1.81 115.29 116.06 2h4v s HIS 1059Ca -0.15 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 2h4v s HIS 1059Cb -0.17 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.82 2h4v s HIS 1059CO 0.06 -0.47 0.00 0.00 -2.00 0.00 0.00 174.74 172.32 2h4v h SER 1061N 0.00 0.00 1.59 0.00 4.64 -1.86 -2.60 113.55 115.32 2h4v h SER 1061Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h4v h SER 1061Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2h4v h SER 1061CO 0.00 0.41 -0.39 0.00 -0.87 0.00 0.00 176.83 175.97 2h4v h ALA 1062N -1.44 0.80 -0.53 5.18 0.00 -1.89 0.12 119.26 121.50 2h4v h ALA 1062Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2h4v h ALA 1062Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2h4v h ALA 1062CO 0.00 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.57 2h4v n GLY 1063N 1.14 0.24 0.94 0.00 0.00 -1.25 -3.93 105.19 102.34 2h4v n GLY 1063Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.97 0.00 0.00 1.61 0.24 -1.26 -4.40 118.33 110.55 2h4v n VAL 1064Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2h4v n VAL 1064Cb 0.53 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 2.45 -0.32 0.35 7.63 0.00 -1.26 -1.17 105.19 112.87 2h4v n GLY 1065Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.19 -0.20 1.61 3.08 -1.95 -1.36 114.38 116.75 2h4v h ARG 1066Ca 0.00 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 59.92 2h4v h ARG 1066Cb 0.00 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.79 2h4v h ARG 1066CO 0.00 0.92 -0.11 1.15 -1.07 0.00 0.00 179.97 180.86 2h4v h THR 1067N 1.18 0.66 -0.59 2.04 2.02 -1.87 -0.64 112.91 115.71 2h4v h THR 1067Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 2h4v h THR 1067Cb 0.13 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2h4v h THR 1067CO -0.03 0.00 0.15 1.23 0.37 0.00 0.00 175.52 177.24 2h4v h GLY 1068N -0.09 0.97 1.00 2.16 0.00 -1.00 -1.50 103.07 104.60 2h4v h GLY 1068Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2h4v h GLY 1068CO -0.26 0.53 0.32 -0.84 0.00 0.00 0.00 176.54 176.29 2h4v h THR 1069N 0.87 1.13 0.03 4.70 2.02 -0.90 -0.55 112.91 120.21 2h4v h THR 1069Ca 0.19 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2h4v h THR 1069Cb 0.30 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2h4v h THR 1069CO -0.00 0.13 -0.01 0.22 0.37 0.00 0.00 175.52 176.22 2h4v h TYR 1070N 0.67 -0.03 -0.82 3.16 3.20 -0.87 -1.50 116.97 120.78 2h4v h TYR 1070Ca 0.18 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2h4v h TYR 1070Cb -0.06 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 2h4v h TYR 1070CO -0.04 0.04 0.53 0.82 -1.64 0.00 0.00 178.16 177.87 2h4v h ILE 1071N -0.10 1.16 -0.13 1.81 2.04 -0.93 0.11 117.51 121.47 2h4v h ILE 1071Ca -0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 2h4v h ILE 1071Cb 0.09 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2h4v h ILE 1071CO 0.01 0.19 -0.13 0.58 0.00 0.00 0.00 178.15 178.80 2h4v h VAL 1072N 1.05 1.35 -0.24 1.67 2.07 -0.99 -1.01 116.25 120.15 2h4v h VAL 1072Ca 0.32 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2h4v h VAL 1072Cb -0.05 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2h4v h VAL 1072CO -0.09 0.37 0.13 0.40 0.02 0.00 0.00 177.57 178.40 2h4v h ILE 1073N -0.08 1.01 0.09 4.57 2.04 -1.09 0.10 117.51 124.15 2h4v h ILE 1073Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2h4v h ILE 1073Cb 0.66 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2h4v h ILE 1073CO 0.03 0.05 -0.09 -0.78 0.00 0.00 0.00 178.15 177.36 2h4v h ASP 1074N 0.27 -0.23 -0.75 1.72 3.58 -0.96 -0.71 116.42 119.34 2h4v h ASP 1074Ca 0.10 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 2h4v h ASP 1074Cb 0.01 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2h4v h ASP 1074CO -0.06 -0.14 0.32 0.28 -2.88 0.00 0.00 179.24 176.77 2h4v h SER 1075N -0.19 1.02 0.03 2.28 0.02 -0.97 -1.15 113.55 114.60 2h4v h SER 1075Ca 0.01 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 2h4v h SER 1075Cb 0.19 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2h4v h SER 1075CO -0.03 0.90 -0.53 0.24 -1.14 0.00 0.00 176.83 176.28 2h4v h MET 1076N 1.08 0.54 -0.76 3.45 2.86 -0.83 -0.75 114.93 120.51 2h4v h MET 1076Ca 0.25 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2h4v h MET 1076Cb 0.19 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2h4v h MET 1076CO -0.02 0.94 0.25 -0.07 1.06 0.00 0.00 176.91 179.06 2h4v h LEU 1077N 0.42 1.10 -0.57 1.22 3.38 -0.85 0.25 115.31 120.26 2h4v h LEU 1077Ca 0.01 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2h4v h LEU 1077Cb 1.07 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2h4v h LEU 1077CO 0.10 1.01 -0.12 1.56 0.09 0.00 0.00 178.44 181.08 2h4v h GLN 1078N 1.13 1.01 -0.70 1.13 4.20 -1.05 -1.63 115.11 119.21 2h4v h GLN 1078Ca 0.25 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2h4v h GLN 1078Cb 0.29 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2h4v h GLN 1078CO -0.01 1.06 0.42 0.37 -0.67 0.00 0.00 178.83 180.00 2h4v h GLN 1079N 0.90 0.96 0.19 1.46 4.15 -0.83 -1.00 115.11 120.93 2h4v h GLN 1079Ca 0.14 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2h4v h GLN 1079Cb 0.69 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2h4v h GLN 1079CO 0.05 0.69 -0.09 0.82 -1.93 0.00 0.00 178.83 178.37 2h4v h ILE 1080N 0.96 0.84 -0.40 2.39 2.04 -0.81 0.11 117.51 122.64 2h4v h ILE 1080Ca 0.25 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 66.08 2h4v h ILE 1080Cb -0.02 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2h4v h ILE 1080CO -0.05 0.03 -0.07 0.11 0.00 0.00 0.00 178.15 178.17 2h4v h LYS 1081N -0.30 0.03 0.03 2.37 1.57 -1.13 0.40 116.57 119.54 2h4v h LYS 1081Ca -0.03 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2h4v h LYS 1081Cb 0.24 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.55 2h4v h LYS 1081CO 0.04 0.02 -0.26 0.22 -0.57 0.00 0.00 179.45 178.90 2h4v h ASP 1082N 0.03 0.18 -0.00 0.86 3.58 -1.11 -3.40 116.42 116.55 2h4v h ASP 1082Ca 0.19 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.74 2h4v h ASP 1082Cb 0.29 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2h4v h ASP 1082CO -0.39 1.07 -0.27 0.29 -2.88 0.00 0.00 179.24 177.06 2h4v n LYS 1083N -4.47 3.57 -3.32 0.28 4.76 0.36 -5.00 118.16 114.34 2h4v n LYS 1083Ca -0.11 -0.22 -0.24 0.00 -2.87 0.00 0.00 58.31 54.87 2h4v n LYS 1083Cb 0.56 -0.92 0.01 0.00 -1.84 0.00 0.00 35.03 32.84 2h4v n LYS 1083CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2h4v n SER 1084N -0.81 -4.67 -4.28 4.39 7.64 0.13 -4.99 113.62 111.04 2h4v n SER 1084Ca 0.02 -0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.35 2h4v n SER 1084Cb 0.14 -3.81 -0.10 0.00 -1.01 0.00 0.00 64.21 59.43 2h4v n SER 1084CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2h4v s THR 1085N -3.06 0.60 -0.02 0.44 -4.23 -1.25 -3.88 115.64 104.25 2h4v s THR 1085Ca 0.40 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 2h4v s THR 1085Cb -0.20 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.29 2h4v s THR 1085CO 0.50 -0.24 0.31 0.54 -0.54 0.00 0.00 174.62 175.19 2h4v s VAL 1086N -3.72 0.05 -0.47 2.29 0.11 -0.54 -2.95 120.40 115.18 2h4v s VAL 1086Ca 0.31 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.97 2h4v s VAL 1086Cb 0.07 -0.61 0.23 0.00 -1.53 0.00 0.00 36.38 34.54 2h4v s VAL 1086CO 0.09 -0.25 0.75 -3.20 -3.33 0.00 0.00 175.10 169.16 2h4v n ASN 1087N 1.34 -2.18 0.24 3.54 5.15 -1.26 -1.73 115.26 120.36 2h4v n ASN 1087Ca -0.21 -3.06 -0.15 0.00 -0.60 0.00 0.00 54.58 50.55 2h4v n ASN 1087Cb 0.56 1.15 -0.08 0.00 -0.53 0.00 0.00 39.78 40.88 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 3.18 0.52 -0.38 3.44 2.07 -1.99 -1.62 116.25 121.47 2h4v h VAL 1088Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2h4v h VAL 1088Cb 1.00 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2h4v h VAL 1088CO 0.31 0.00 0.14 0.25 0.02 0.00 0.00 177.57 178.30 2h4v h LEU 1089N -0.60 0.54 -0.47 2.57 5.85 -1.99 -0.55 115.31 120.67 2h4v h LEU 1089Ca -0.05 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2h4v h LEU 1089Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2h4v h LEU 1089CO 0.05 0.57 0.15 1.23 -0.34 0.00 0.00 178.44 180.10 2h4v h GLY 1090N 0.47 0.78 0.95 3.75 0.00 -1.98 -0.62 103.07 106.41 2h4v h GLY 1090Ca 0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2h4v h GLY 1090CO -0.01 0.43 0.11 -2.75 0.00 0.00 0.00 176.54 174.32 2h4v h PHE 1091N 0.62 0.71 -0.37 5.60 3.57 -1.20 -1.51 116.94 124.36 2h4v h PHE 1091Ca 0.15 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2h4v h PHE 1091Cb 0.26 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2h4v h PHE 1091CO 0.01 0.67 0.19 1.25 -2.23 0.00 0.00 178.31 178.20 2h4v h LEU 1092N 0.55 0.48 -1.33 0.59 5.85 -0.88 -0.25 115.31 120.32 2h4v h LEU 1092Ca 0.13 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.83 2h4v h LEU 1092Cb 0.31 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2h4v h LEU 1092CO 0.00 0.46 0.52 0.11 -0.34 0.00 0.00 178.44 179.18 2h4v h LYS 1093N 0.46 0.75 0.04 1.25 1.57 -0.98 -0.52 116.57 119.14 2h4v h LYS 1093Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2h4v h LYS 1093Cb 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2h4v h LYS 1093CO -0.02 0.49 -0.02 1.25 -0.57 0.00 0.00 179.45 180.59 2h4v h HIS 1094N 0.77 -0.05 0.00 -1.35 2.76 -0.35 -3.16 115.15 113.77 2h4v h HIS 1094Ca 0.36 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 2h4v h HIS 1094Cb 0.38 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2h4v h HIS 1094CO -0.00 0.35 -0.23 -0.84 -1.30 0.00 0.00 177.93 175.91 2h4v h ILE 1095N -0.45 0.71 -0.08 6.26 3.07 -0.71 -1.25 117.51 125.05 2h4v h ILE 1095Ca -0.00 -0.97 0.02 0.00 1.55 0.00 0.00 64.86 65.46 2h4v h ILE 1095Cb 0.42 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2h4v h ILE 1095CO 0.01 0.22 0.14 0.03 -1.05 0.00 0.00 178.15 177.50 2h4v h ARG 1096N 0.00 0.00 0.00 0.16 2.47 -1.07 0.73 114.38 116.67 2h4v h ARG 1096Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2h4v h ARG 1096Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2h4v h ARG 1096CO 0.03 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.81 2h4v n THR 1097N -3.51 0.67 -0.08 2.04 -2.24 -0.47 -4.04 114.28 106.65 2h4v n THR 1097Ca -0.01 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 2h4v n THR 1097Cb 0.23 -0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.00 1.30 -3.74 -0.78 6.02 0.20 -4.94 117.38 113.44 2h4v n GLN 1098Ca 0.04 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 2h4v n GLN 1098Cb 0.29 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.35 0.27 0.26 -1.09 3.52 -0.90 -4.59 118.95 114.07 2h4v s ARG 1099Ca -0.12 0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.68 2h4v s ARG 1099Cb 0.05 0.00 -0.14 0.00 -1.56 0.00 0.00 34.95 33.30 2h4v s ARG 1099CO 0.54 -0.11 1.30 0.27 -0.81 0.00 0.00 175.30 176.49 2h4v n ASN 1100N 3.72 2.38 -0.21 -2.12 2.04 -1.26 -3.36 115.26 116.44 2h4v n ASN 1100Ca -0.20 1.16 -0.03 0.00 -0.44 0.00 0.00 54.58 55.07 2h4v n ASN 1100Cb 0.55 -1.39 -0.01 0.00 -2.53 0.00 0.00 39.78 36.40 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 1.34 0.00 -1.68 -2.53 4.01 -1.26 -4.83 117.16 112.21 2h4v n TYR 1101Ca 0.10 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.38 2h4v n TYR 1101Cb 0.31 -1.23 -0.04 0.00 -0.31 0.00 0.00 39.34 38.07 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 -0.32 3.46 -2.29 7.72 4.77 -1.21 -2.61 117.00 126.53 2h4v n LEU 1102Ca -0.03 1.01 -0.02 0.00 -0.03 0.00 0.00 56.01 56.94 2h4v n LEU 1102Cb 0.26 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2h4v n LEU 1102CO 0.04 -0.08 -0.19 0.52 -1.33 0.00 0.00 177.39 176.35 2h4v n VAL 1103N 4.51 -8.08 0.11 4.08 0.31 -0.32 -4.89 118.33 114.05 2h4v n VAL 1103Ca 0.20 0.95 0.05 0.00 -0.01 0.00 0.00 64.34 65.52 2h4v n VAL 1103Cb 0.31 -5.92 0.01 0.00 -0.91 0.00 0.00 33.84 27.33 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 1.67 0.00 -5.76 5.55 4.15 -1.69 -3.47 115.11 115.56 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 0.22 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.72 2h4v h GLN 1104CO 0.08 0.27 -0.78 0.95 -1.93 0.00 0.00 178.83 177.42 2h4v s THR 1105N -3.06 1.58 0.38 2.39 -4.23 -1.26 -5.03 115.64 106.40 2h4v s THR 1105Ca 0.01 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2h4v s THR 1105Cb 0.08 -1.62 0.27 0.00 1.34 0.00 0.00 72.50 72.57 2h4v s THR 1105CO 0.76 -0.29 2.03 -0.08 -0.54 0.00 0.00 174.62 176.51 2h4v h GLU 1106N 3.60 0.70 -0.88 3.99 4.81 -1.96 -1.82 114.58 123.00 2h4v h GLU 1106Ca -0.42 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2h4v h GLU 1106Cb 1.20 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 2h4v h GLU 1106CO 0.48 0.46 0.58 1.49 -0.73 0.00 0.00 179.01 181.29 2h4v h GLU 1107N 0.72 1.14 -0.54 1.92 4.81 -1.99 -0.09 114.58 120.54 2h4v h GLU 1107Ca 0.20 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2h4v h GLU 1107Cb -0.08 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.02 2h4v h GLU 1107CO -0.04 0.75 -0.04 1.96 -0.73 0.00 0.00 179.01 180.91 2h4v h GLN 1108N 1.17 0.96 -0.60 1.92 4.20 -1.78 -0.95 115.11 120.02 2h4v h GLN 1108Ca 0.33 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2h4v h GLN 1108Cb -0.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2h4v h GLN 1108CO -0.09 0.97 0.32 -0.92 -0.67 0.00 0.00 178.83 178.44 2h4v h TYR 1109N 0.87 0.84 -0.35 2.96 3.20 -0.56 -1.22 116.97 122.70 2h4v h TYR 1109Ca 0.15 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2h4v h TYR 1109Cb 0.56 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2h4v h TYR 1109CO 0.04 0.61 0.12 0.82 -1.64 0.00 0.00 178.16 178.10 2h4v h ILE 1110N 0.82 1.21 -0.92 1.81 2.04 -0.95 -3.08 117.51 118.44 2h4v h ILE 1110Ca 0.21 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.45 2h4v h ILE 1110Cb 0.06 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2h4v h ILE 1110CO -0.03 0.23 0.60 0.15 0.00 0.00 0.00 178.15 179.10 2h4v h PHE 1111N 0.42 1.10 -0.60 1.37 3.57 -0.61 -0.23 116.94 121.96 2h4v h PHE 1111Ca 0.11 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.75 2h4v h PHE 1111Cb 0.24 -0.37 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 2h4v h PHE 1111CO 0.01 0.62 0.16 0.82 -2.23 0.00 0.00 178.31 177.68 2h4v h ILE 1112N 1.12 0.68 -0.35 1.41 2.04 -1.15 0.20 117.51 121.46 2h4v h ILE 1112Ca 0.38 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.96 2h4v h ILE 1112Cb 0.08 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2h4v h ILE 1112CO -0.12 0.06 -0.45 0.45 0.00 0.00 0.00 178.15 178.08 2h4v h HIS 1113N 0.31 1.12 -0.22 1.37 3.86 -1.15 -0.95 115.15 119.48 2h4v h HIS 1113Ca 0.31 -0.36 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2h4v h HIS 1113Cb 0.44 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 2h4v h HIS 1113CO -0.22 1.19 0.01 0.22 0.86 0.00 0.00 177.93 179.99 2h4v h ASP 1114N 0.72 -0.07 -0.36 2.45 1.82 -0.58 0.84 116.42 121.24 2h4v h ASP 1114Ca 0.04 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2h4v h ASP 1114Cb 1.05 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2h4v h ASP 1114CO 0.11 -0.01 0.18 0.00 -1.61 0.00 0.00 179.24 177.90 2h4v h ALA 1115N 1.19 0.47 -0.68 -0.78 0.00 -0.51 -1.14 119.26 117.81 2h4v h ALA 1115Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2h4v h ALA 1115Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2h4v h ALA 1115CO -0.17 0.03 0.17 -0.07 0.00 0.00 0.00 179.25 179.21 2h4v h LEU 1116N 0.45 1.02 -0.30 0.00 3.38 -1.01 -1.25 115.31 117.60 2h4v h LEU 1116Ca 0.12 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2h4v h LEU 1116Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2h4v h LEU 1116CO -0.02 0.98 0.08 0.25 0.09 0.00 0.00 178.44 179.83 2h4v h LEU 1117N 1.01 0.07 -1.20 1.67 5.85 -0.64 -0.55 115.31 121.52 2h4v h LEU 1117Ca 0.21 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2h4v h LEU 1117Cb 0.36 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2h4v h LEU 1117CO 0.00 0.07 0.20 -0.33 -0.34 0.00 0.00 178.44 178.05 2h4v h GLU 1118N 0.20 0.76 -0.35 1.25 5.08 -1.00 -1.03 114.58 119.49 2h4v h GLU 1118Ca 0.14 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2h4v h GLU 1118Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2h4v h GLU 1118CO -0.16 0.63 0.10 0.00 -1.00 0.00 0.00 179.01 178.59 2h4v h ALA 1119N 1.47 0.46 -0.51 3.43 0.00 -0.72 -1.08 119.26 122.31 2h4v h ALA 1119Ca 0.18 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2h4v h ALA 1119Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2h4v h ALA 1119CO -0.02 0.11 -0.07 0.82 0.00 0.00 0.00 179.25 180.09 2h4v h ILE 1120N 0.42 1.26 0.00 0.00 2.04 -0.79 -2.66 117.51 117.77 2h4v h ILE 1120Ca 0.11 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2h4v h ILE 1120Cb 0.26 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2h4v h ILE 1120CO -0.00 0.41 -0.10 -0.07 0.00 0.00 0.00 178.15 178.39 2h4v h LEU 1121N 0.83 0.00 -0.88 1.44 3.38 -1.15 -3.51 115.31 115.42 2h4v h LEU 1121Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2h4v h LEU 1121Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2h4v h LEU 1121CO 0.04 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.19