#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fx4 n ASN 877 N 0.00 0.85 0.12 -1.12 3.02 -1.26 -4.77 115.26 112.10 1fx4 n ASN 877 Ca 0.00 -0.94 0.15 0.00 -0.03 0.00 0.00 54.58 53.75 1fx4 n ASN 877 Cb 0.00 0.10 0.67 0.00 -0.61 0.00 0.00 39.78 39.94 1fx4 n ASN 877 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1fx4 h ASP 878 N 0.00 0.00 0.26 6.41 3.58 -1.99 -0.88 116.42 123.80 1fx4 h ASP 878 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1fx4 h ASP 878 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1fx4 h ASP 878 CO 0.00 0.00 -0.11 -1.54 -2.88 0.00 0.00 179.24 174.71 1fx4 n SER 879 N -4.44 0.65 -4.70 2.28 3.41 -1.26 -4.86 113.62 104.69 1fx4 n SER 879 Ca 0.04 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 1fx4 n SER 879 Cb 0.38 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1fx4 n SER 879 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fx4 s ALA 880 N -2.37 3.33 0.13 7.33 0.00 -0.34 -4.36 121.76 125.48 1fx4 s ALA 880 Ca 0.31 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.49 1fx4 s ALA 880 Cb 0.20 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1fx4 s ALA 880 CO 0.45 -0.47 1.74 -2.14 0.00 0.00 0.00 175.76 175.34 1fx4 s PRO 881 N 1.55 4.16 0.00 0.00 0.02 -1.26 -4.88 135.00 134.59 1fx4 s PRO 881 Ca 0.52 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.05 1fx4 s PRO 881 Cb -0.22 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1fx4 s PRO 881 CO 0.24 -0.77 0.39 1.63 -0.33 0.00 0.00 177.00 178.15 1fx4 n LYS 882 N 5.19 0.78 -3.65 5.54 5.02 -1.26 -5.01 118.16 124.76 1fx4 n LYS 882 Ca 0.17 -0.39 -0.38 0.00 -2.02 0.00 0.00 58.31 55.69 1fx4 n LYS 882 Cb 0.38 -0.89 -0.12 0.00 -0.02 0.00 0.00 35.03 34.39 1fx4 n LYS 882 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fx4 s GLU 883 N -0.22 3.62 0.58 1.97 2.02 -1.26 -4.97 118.70 120.44 1fx4 s GLU 883 Ca 0.00 -0.53 0.28 0.00 0.02 0.00 0.00 54.97 54.74 1fx4 s GLU 883 Cb 0.00 -3.55 1.57 0.00 0.10 0.00 0.00 34.13 32.25 1fx4 s GLU 883 CO 0.00 -0.29 2.02 -1.00 0.02 0.00 0.00 175.26 176.02 1fx4 h PRO 884 N 8.34 0.00 0.00 0.39 0.13 -1.95 0.14 132.00 139.05 1fx4 h PRO 884 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1fx4 h PRO 884 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1fx4 h PRO 884 CO 0.59 0.00 -0.48 1.79 -0.23 0.00 0.00 178.00 179.67 1fx4 h THR 885 N 0.00 0.00 -3.38 1.56 1.35 -1.93 -3.42 112.91 107.09 1fx4 h THR 885 Ca 0.14 -0.65 -0.59 0.00 -0.55 0.00 0.00 66.41 64.76 1fx4 h THR 885 Cb 0.75 1.36 -0.08 0.00 -1.73 0.00 0.00 68.15 68.45 1fx4 h THR 885 CO -0.00 0.00 0.17 -0.83 -0.25 0.00 0.00 175.52 174.61 1fx4 s GLY 886 N -3.85 2.15 0.45 5.82 0.00 0.04 -5.02 107.32 106.91 1fx4 s GLY 886 Ca 0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 1fx4 s GLY 886 CO 0.70 1.36 1.34 -1.05 0.00 0.00 0.00 173.10 175.45 1fx4 n PRO 887 N 4.88 2.01 -4.91 2.90 -0.02 -1.26 -4.65 135.00 133.96 1fx4 n PRO 887 Ca -0.00 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 1fx4 n PRO 887 Cb 0.50 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 1fx4 n PRO 887 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fx4 s VAL 888 N -1.21 2.61 -0.23 -1.45 1.01 0.68 -4.88 120.40 116.93 1fx4 s VAL 888 Ca 0.63 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1fx4 s VAL 888 Cb -0.47 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1fx4 s VAL 888 CO 0.57 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 175.31 1fx4 s THR 889 N -0.78 4.36 -0.06 3.92 2.01 -0.89 -1.17 115.64 123.02 1fx4 s THR 889 Ca 0.12 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1fx4 s THR 889 Cb -0.10 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1fx4 s THR 889 CO 0.02 0.37 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.52 1fx4 s LEU 890 N 1.34 3.32 -0.12 4.42 1.43 0.34 -0.74 118.68 128.68 1fx4 s LEU 890 Ca 0.05 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1fx4 s LEU 890 Cb -0.15 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1fx4 s LEU 890 CO 0.03 0.35 -0.18 -0.63 0.23 0.00 0.00 176.35 176.15 1fx4 s ILE 891 N -0.88 1.73 -0.06 -0.59 1.01 0.87 -1.84 121.20 121.42 1fx4 s ILE 891 Ca 0.14 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1fx4 s ILE 891 Cb -0.11 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1fx4 s ILE 891 CO 0.03 0.49 -0.15 -0.36 0.00 0.00 0.00 174.94 174.95 1fx4 s PHE 892 N 0.84 2.71 0.13 3.97 0.40 -0.36 -0.48 117.98 125.19 1fx4 s PHE 892 Ca -0.09 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1fx4 s PHE 892 Cb -0.15 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 1fx4 s PHE 892 CO -0.00 0.10 -0.11 0.95 0.70 0.00 0.00 175.22 176.85 1fx4 s THR 893 N -0.51 1.16 -0.01 0.64 -4.23 -0.44 -1.36 115.64 110.90 1fx4 s THR 893 Ca 0.07 -1.83 -0.27 0.00 -1.18 0.00 0.00 61.69 58.48 1fx4 s THR 893 Cb -0.12 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.18 1fx4 s THR 893 CO 0.02 -0.59 0.61 -0.62 -0.54 0.00 0.00 174.62 173.50 1fx4 s ASP 894 N -2.73 -0.56 -0.19 3.99 -1.08 -0.84 -2.21 116.67 113.04 1fx4 s ASP 894 Ca 0.11 0.49 -0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1fx4 s ASP 894 Cb -0.01 0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 41.94 1fx4 s ASP 894 CO 0.01 -0.65 0.79 -0.63 0.52 0.00 0.00 175.17 175.21 1fx4 s ILE 895 N -1.68 4.90 0.23 4.11 1.01 -1.26 -0.74 121.20 127.78 1fx4 s ILE 895 Ca -0.09 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.79 1fx4 s ILE 895 Cb -0.01 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 1fx4 s ILE 895 CO 0.05 0.03 1.43 -0.70 0.00 0.00 0.00 174.94 175.74 1fx4 s GLU 896 N 2.22 4.28 -1.43 2.79 2.12 0.12 -2.91 118.70 125.89 1fx4 s GLU 896 Ca 0.36 2.26 -0.01 0.00 0.36 0.00 0.00 54.97 57.94 1fx4 s GLU 896 Cb -0.16 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.10 1fx4 s GLU 896 CO 0.11 -0.41 0.10 0.43 -0.54 0.00 0.00 175.26 174.95 1fx4 n SER 897 N 2.55 -4.98 -0.09 -1.70 7.64 -1.26 -4.72 113.62 111.06 1fx4 n SER 897 Ca 0.07 0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 1fx4 n SER 897 Cb 0.41 -4.16 0.26 0.00 -1.01 0.00 0.00 64.21 59.71 1fx4 n SER 897 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1fx4 h SER 898 N -0.22 0.66 -0.09 6.43 4.64 -1.92 -1.01 113.55 122.04 1fx4 h SER 898 Ca -0.41 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1fx4 h SER 898 Cb 1.30 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1fx4 h SER 898 CO 0.48 0.62 0.04 0.74 -0.87 0.00 0.00 176.83 177.84 1fx4 h THR 899 N 0.71 0.99 -0.22 2.95 2.02 -1.89 0.15 112.91 117.62 1fx4 h THR 899 Ca 0.17 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1fx4 h THR 899 Cb 0.19 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1fx4 h THR 899 CO -0.01 0.02 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 1fx4 h ALA 900 N 1.05 1.37 -0.36 6.16 0.00 -1.88 -1.84 119.26 123.76 1fx4 h ALA 900 Ca 0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1fx4 h ALA 900 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fx4 h ALA 900 CO -0.03 0.43 -0.39 -0.07 0.00 0.00 0.00 179.25 179.19 1fx4 h LEU 901 N 0.34 0.94 -1.03 0.00 3.38 -0.66 -1.11 115.31 117.17 1fx4 h LEU 901 Ca 0.07 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1fx4 h LEU 901 Cb 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1fx4 h LEU 901 CO 0.03 1.22 0.23 -0.50 0.09 0.00 0.00 178.44 179.50 1fx4 h TRP 902 N 0.72 0.94 -0.24 1.13 4.06 -0.20 0.52 115.95 122.87 1fx4 h TRP 902 Ca 0.06 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1fx4 h TRP 902 Cb 0.98 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1fx4 h TRP 902 CO 0.06 0.73 -0.23 0.00 -3.56 0.00 0.00 178.44 175.45 1fx4 h ALA 903 N 1.34 0.36 0.00 1.49 0.00 -1.20 -2.94 119.26 118.31 1fx4 h ALA 903 Ca 0.21 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1fx4 h ALA 903 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1fx4 h ALA 903 CO -0.02 0.32 -0.78 0.00 0.00 0.00 0.00 179.25 178.77 1fx4 h ALA 904 N 0.68 0.54 -2.05 0.00 0.00 -0.92 -3.40 119.26 114.11 1fx4 h ALA 904 Ca 0.04 -0.71 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1fx4 h ALA 904 Cb 0.78 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.05 1fx4 h ALA 904 CO 0.06 0.97 -1.06 0.72 0.00 0.00 0.00 179.25 179.94 1fx4 n HIS 905 N -3.36 0.78 0.34 0.00 8.25 0.18 -4.91 115.22 116.50 1fx4 n HIS 905 Ca 0.01 -3.79 0.22 0.00 -0.26 0.00 0.00 57.72 53.89 1fx4 n HIS 905 Cb 0.82 -0.42 1.20 0.00 1.12 0.00 0.00 29.99 32.71 1fx4 n HIS 905 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1fx4 h PRO 906 N 3.37 0.00 0.00 -0.41 0.13 -1.71 -0.07 132.00 133.31 1fx4 h PRO 906 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1fx4 h PRO 906 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1fx4 h PRO 906 CO 0.56 0.00 -0.69 0.38 -0.23 0.00 0.00 178.00 178.02 1fx4 h ASP 907 N 0.00 0.00 0.00 1.44 2.03 -1.91 -3.39 116.42 114.59 1fx4 h ASP 907 Ca -0.00 -0.12 -0.22 0.00 -0.73 0.00 0.00 57.03 55.96 1fx4 h ASP 907 Cb 0.01 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 1fx4 h ASP 907 CO 0.00 0.06 -1.83 0.18 -1.03 0.00 0.00 179.24 176.62 1fx4 n LEU 908 N -2.38 1.13 -0.35 0.15 4.77 -0.19 -4.76 117.00 115.36 1fx4 n LEU 908 Ca 0.02 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1fx4 n LEU 908 Cb 0.48 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1fx4 n LEU 908 CO 0.37 0.47 1.27 0.24 -1.33 0.00 0.00 177.39 178.41 1fx4 h MET 909 N 0.00 1.23 -0.61 3.23 2.86 -1.35 -1.81 114.93 118.49 1fx4 h MET 909 Ca -0.33 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1fx4 h MET 909 Cb 1.65 -0.28 -0.06 0.00 0.06 0.00 0.00 31.60 32.98 1fx4 h MET 909 CO -0.01 0.81 0.30 -1.35 1.06 0.00 0.00 176.91 177.72 1fx4 h PRO 910 N 1.27 0.53 -0.22 -0.22 0.11 -1.84 0.82 132.00 132.45 1fx4 h PRO 910 Ca 0.35 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 1fx4 h PRO 910 Cb -0.12 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.87 1fx4 h PRO 910 CO -0.09 0.35 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.27 1fx4 h ASP 911 N 0.55 0.69 -0.58 -2.05 3.32 -1.86 -1.72 116.42 114.77 1fx4 h ASP 911 Ca 0.28 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1fx4 h ASP 911 Cb 0.23 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1fx4 h ASP 911 CO -0.21 1.08 0.27 0.00 -1.72 0.00 0.00 179.24 178.65 1fx4 h ALA 912 N 0.63 0.75 -0.23 3.45 0.00 -1.05 -0.29 119.26 122.53 1fx4 h ALA 912 Ca 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1fx4 h ALA 912 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fx4 h ALA 912 CO 0.08 0.33 -0.42 0.28 0.00 0.00 0.00 179.25 179.52 1fx4 h VAL 913 N 0.80 1.30 -0.67 0.00 2.07 -0.86 -0.11 116.25 118.78 1fx4 h VAL 913 Ca 0.20 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 1fx4 h VAL 913 Cb 0.14 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1fx4 h VAL 913 CO -0.02 0.50 0.15 0.00 0.02 0.00 0.00 177.57 178.22 1fx4 h ALA 914 N 1.10 1.01 -0.37 1.67 0.00 -0.98 -0.11 119.26 121.58 1fx4 h ALA 914 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1fx4 h ALA 914 Cb 0.92 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1fx4 h ALA 914 CO 0.08 0.64 0.05 1.15 0.00 0.00 0.00 179.25 181.17 1fx4 h THR 915 N 1.01 1.24 -0.41 0.00 2.02 -0.69 -1.74 112.91 114.33 1fx4 h THR 915 Ca 0.21 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.59 1fx4 h THR 915 Cb 0.37 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1fx4 h THR 915 CO 0.00 0.30 0.04 -0.74 0.37 0.00 0.00 175.52 175.49 1fx4 h HIS 916 N 0.46 0.05 -0.70 3.16 -0.00 -0.51 0.60 115.15 118.20 1fx4 h HIS 916 Ca 0.11 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1fx4 h HIS 916 Cb 0.38 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 1fx4 h HIS 916 CO 0.03 -0.04 0.29 0.45 -0.00 0.00 0.00 177.93 178.65 1fx4 h HIS 917 N 0.15 1.07 -0.47 5.26 3.86 -0.77 -1.28 115.15 122.97 1fx4 h HIS 917 Ca 0.20 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1fx4 h HIS 917 Cb 0.28 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1fx4 h HIS 917 CO -0.24 0.82 0.13 0.00 0.86 0.00 0.00 177.93 179.50 1fx4 h ARG 918 N 1.00 0.75 -0.09 2.45 3.08 -0.48 -0.74 114.38 120.35 1fx4 h ARG 918 Ca 0.24 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1fx4 h ARG 918 Cb 0.20 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1fx4 h ARG 918 CO -0.02 0.73 0.05 -0.07 -1.07 0.00 0.00 179.97 179.58 1fx4 h LEU 919 N 0.64 0.12 -0.73 3.04 3.38 -0.69 -1.84 115.31 119.23 1fx4 h LEU 919 Ca 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1fx4 h LEU 919 Cb 0.31 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1fx4 h LEU 919 CO -0.00 0.20 0.33 0.40 0.09 0.00 0.00 178.44 179.46 1fx4 h ILE 920 N 0.03 1.24 -0.05 1.22 2.04 -1.17 -2.33 117.51 118.49 1fx4 h ILE 920 Ca 0.03 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 1fx4 h ILE 920 Cb 0.11 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1fx4 h ILE 920 CO -0.00 0.29 -0.26 0.03 0.00 0.00 0.00 178.15 178.21 1fx4 h ARG 921 N 1.03 0.09 -0.47 2.37 3.08 -1.02 -0.16 114.38 119.29 1fx4 h ARG 921 Ca 0.25 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 1fx4 h ARG 921 Cb 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1fx4 h ARG 921 CO -0.03 0.34 -0.15 0.77 -1.07 0.00 0.00 179.97 179.83 1fx4 h SER 922 N 0.08 0.91 -0.32 7.04 0.02 -0.96 -2.04 113.55 118.28 1fx4 h SER 922 Ca 0.01 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 1fx4 h SER 922 Cb 0.51 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1fx4 h SER 922 CO 0.04 1.05 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.41 1fx4 h LEU 923 N 0.80 0.81 -0.50 5.07 3.38 -0.87 -0.09 115.31 123.90 1fx4 h LEU 923 Ca 0.12 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1fx4 h LEU 923 Cb 0.69 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1fx4 h LEU 923 CO 0.05 1.11 0.19 0.40 0.09 0.00 0.00 178.44 180.28 1fx4 h ILE 924 N 0.53 0.85 -0.20 1.22 2.04 -0.91 0.36 117.51 121.41 1fx4 h ILE 924 Ca 0.05 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1fx4 h ILE 924 Cb 0.88 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1fx4 h ILE 924 CO 0.08 0.07 -0.01 0.74 0.00 0.00 0.00 178.15 179.02 1fx4 h THR 925 N 0.38 1.26 -0.92 -0.27 2.02 -1.26 -0.23 112.91 113.89 1fx4 h THR 925 Ca 0.24 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1fx4 h THR 925 Cb 0.24 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1fx4 h THR 925 CO -0.23 0.28 0.60 -0.09 0.37 0.00 0.00 175.52 176.45 1fx4 h ARG 926 N 0.10 1.09 -0.65 6.66 2.43 -0.60 -2.27 114.38 121.14 1fx4 h ARG 926 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fx4 h ARG 926 Cb 0.42 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1fx4 h ARG 926 CO 0.01 0.72 0.00 0.66 -1.51 0.00 0.00 179.97 179.85 1fx4 n TYR 927 N -4.46 1.53 -3.41 2.20 4.02 0.08 -4.94 117.16 112.18 1fx4 n TYR 927 Ca 0.13 -0.60 -0.24 0.00 -0.01 0.00 0.00 57.90 57.18 1fx4 n TYR 927 Cb 0.14 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1fx4 n TYR 927 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1fx4 n GLU 928 N 1.04 -3.76 -1.80 -0.72 1.02 -0.85 -4.86 120.64 110.73 1fx4 n GLU 928 Ca 0.25 0.53 -0.18 0.00 -0.02 0.00 0.00 57.16 57.74 1fx4 n GLU 928 Cb 0.91 -5.28 0.11 0.00 -0.02 0.00 0.00 31.44 27.16 1fx4 n GLU 928 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fx4 s TYR 930 N -2.49 1.22 -0.44 0.00 5.04 0.70 -4.72 117.35 116.67 1fx4 s TYR 930 Ca 0.50 -0.50 -0.29 0.00 -2.44 0.00 0.00 57.07 54.34 1fx4 s TYR 930 Cb -0.02 -1.02 0.02 0.00 0.35 0.00 0.00 41.96 41.29 1fx4 s TYR 930 CO 0.34 -0.36 1.23 -2.00 -1.34 0.00 0.00 175.55 173.42 1fx4 s GLU 931 N 1.32 3.70 -0.09 4.97 2.12 -1.26 -0.59 118.70 128.87 1fx4 s GLU 931 Ca -0.03 0.74 -0.24 0.00 0.36 0.00 0.00 54.97 55.80 1fx4 s GLU 931 Cb -0.14 -3.94 -0.20 0.00 0.26 0.00 0.00 34.13 30.12 1fx4 s GLU 931 CO -0.03 -1.41 0.82 0.28 -0.54 0.00 0.00 175.26 174.38 1fx4 h VAL 932 N 6.27 1.31 -2.29 3.70 2.07 -1.31 -3.49 116.25 122.51 1fx4 h VAL 932 Ca -0.24 -1.68 0.17 0.00 0.82 0.00 0.00 66.70 65.77 1fx4 h VAL 932 Cb 1.08 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 33.08 1fx4 h VAL 932 CO 1.11 0.39 0.50 -1.59 0.02 0.00 0.00 177.57 178.00 1fx4 s LYS 933 N -2.85 1.08 -0.07 1.57 -2.85 -1.18 -4.92 119.74 110.53 1fx4 s LYS 933 Ca -0.15 -0.57 0.03 0.00 -1.00 0.00 0.00 55.97 54.29 1fx4 s LYS 933 Cb -0.01 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1fx4 s LYS 933 CO 0.57 -0.49 -0.16 0.99 0.10 0.00 0.00 175.35 176.35 1fx4 s THR 934 N -3.22 1.43 -0.29 3.79 2.01 -1.26 -1.46 115.64 116.64 1fx4 s THR 934 Ca 0.11 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1fx4 s THR 934 Cb -0.01 -1.26 0.09 0.00 0.01 0.00 0.00 72.50 71.33 1fx4 s THR 934 CO -0.00 0.42 0.08 -0.69 -0.69 0.00 0.00 174.62 173.73 1fx4 s VAL 935 N 0.39 0.92 0.00 3.82 1.01 -0.21 -4.97 120.40 121.35 1fx4 s VAL 935 Ca -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1fx4 s VAL 935 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1fx4 s VAL 935 CO 0.04 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1fx4 n GLY 936 N 4.84 2.31 1.77 4.51 0.00 -1.26 -1.03 105.19 116.32 1fx4 n GLY 936 Ca -0.04 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1fx4 n GLY 936 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fx4 n ASP 937 N 6.00 5.31 -4.83 1.61 5.68 -1.26 -4.92 116.55 124.14 1fx4 n ASP 937 Ca 0.00 -2.76 -0.38 0.00 -0.50 0.00 0.00 54.79 51.16 1fx4 n ASP 937 Cb 0.00 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.27 1fx4 n ASP 937 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1fx4 s SER 938 N -0.79 6.69 0.02 -1.12 0.15 -0.20 -4.16 113.70 114.30 1fx4 s SER 938 Ca 0.52 0.83 0.05 0.00 0.70 0.00 0.00 55.95 58.05 1fx4 s SER 938 Cb 0.38 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 1fx4 s SER 938 CO 0.18 0.30 -0.13 -0.36 1.20 0.00 0.00 173.24 174.43 1fx4 s PHE 939 N -0.82 2.70 -0.17 3.44 0.40 -0.94 -1.05 117.98 121.54 1fx4 s PHE 939 Ca 0.22 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1fx4 s PHE 939 Cb -0.15 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1fx4 s PHE 939 CO 0.11 0.29 -0.17 1.41 0.70 0.00 0.00 175.22 177.56 1fx4 s MET 940 N -1.38 2.71 -0.02 0.44 -2.45 -0.53 -1.32 119.30 116.75 1fx4 s MET 940 Ca 0.15 -0.77 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 1fx4 s MET 940 Cb -0.11 -2.44 -0.02 0.00 1.25 0.00 0.00 34.83 33.52 1fx4 s MET 940 CO 0.06 -0.24 -0.20 0.42 1.05 0.00 0.00 175.02 176.10 1fx4 s ILE 941 N 1.34 1.61 0.11 10.11 1.01 0.37 -0.85 121.20 134.91 1fx4 s ILE 941 Ca 0.04 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.91 1fx4 s ILE 941 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1fx4 s ILE 941 CO -0.12 0.46 -0.21 0.00 0.00 0.00 0.00 174.94 175.07 1fx4 s ALA 942 N -0.47 2.56 -0.04 9.38 0.00 0.24 -0.09 121.76 133.34 1fx4 s ALA 942 Ca 0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1fx4 s ALA 942 Cb -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1fx4 s ALA 942 CO -0.01 0.57 0.10 0.45 0.00 0.00 0.00 175.76 176.88 1fx4 s SER 943 N -2.01 -0.10 0.26 0.00 0.15 0.09 -0.21 113.70 111.87 1fx4 s SER 943 Ca 0.16 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.26 1fx4 s SER 943 Cb -0.10 0.21 0.75 0.00 -1.71 0.00 0.00 66.02 65.17 1fx4 s SER 943 CO 0.08 -0.05 1.75 0.11 1.20 0.00 0.00 173.24 176.33 1fx4 h LYS 944 N 5.93 0.00 -5.08 5.44 1.57 -1.86 -2.37 116.57 120.21 1fx4 h LYS 944 Ca -0.25 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 1fx4 h LYS 944 Cb 1.20 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.16 1fx4 h LYS 944 CO 0.44 0.00 -0.86 0.45 -0.57 0.00 0.00 179.45 178.91 1fx4 s SER 945 N -4.82 3.12 0.23 0.86 0.15 -1.26 -4.90 113.70 107.08 1fx4 s SER 945 Ca 0.09 -0.64 -0.09 0.00 0.70 0.00 0.00 55.95 56.02 1fx4 s SER 945 Cb 0.11 -1.47 0.20 0.00 -1.71 0.00 0.00 66.02 63.15 1fx4 s SER 945 CO 0.59 0.01 1.90 -0.65 1.20 0.00 0.00 173.24 176.30 1fx4 h PRO 946 N 7.83 1.12 -0.56 5.44 0.11 -1.90 -2.48 132.00 141.56 1fx4 h PRO 946 Ca -0.43 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1fx4 h PRO 946 Cb 1.15 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1fx4 h PRO 946 CO 0.62 0.74 -0.01 0.35 -0.21 0.00 0.00 178.00 179.49 1fx4 h PHE 947 N 1.15 1.06 -0.40 0.65 3.57 -1.95 -2.21 116.94 118.81 1fx4 h PHE 947 Ca 0.31 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1fx4 h PHE 947 Cb -0.13 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.31 1fx4 h PHE 947 CO -0.01 0.95 0.04 0.00 -2.23 0.00 0.00 178.31 177.06 1fx4 h ALA 948 N 1.08 1.32 -0.51 2.41 0.00 -1.83 -0.20 119.26 121.53 1fx4 h ALA 948 Ca 0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1fx4 h ALA 948 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1fx4 h ALA 948 CO 0.03 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.78 1fx4 h ALA 949 N 1.45 0.69 -0.43 0.00 0.00 -1.03 -0.65 119.26 119.28 1fx4 h ALA 949 Ca 0.13 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1fx4 h ALA 949 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fx4 h ALA 949 CO 0.01 0.47 -0.26 0.28 0.00 0.00 0.00 179.25 179.75 1fx4 h VAL 950 N 0.75 1.27 -0.57 0.00 2.07 -0.98 -1.82 116.25 116.98 1fx4 h VAL 950 Ca 0.15 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1fx4 h VAL 950 Cb 0.48 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1fx4 h VAL 950 CO 0.02 0.48 0.28 1.56 0.02 0.00 0.00 177.57 179.94 1fx4 h GLN 951 N 0.78 0.81 -0.25 1.57 4.20 -0.91 -0.96 115.11 120.35 1fx4 h GLN 951 Ca 0.09 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1fx4 h GLN 951 Cb 0.84 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1fx4 h GLN 951 CO 0.07 0.65 0.14 1.25 -0.67 0.00 0.00 178.83 180.27 1fx4 h LEU 952 N 0.77 0.22 -0.84 1.46 6.46 -0.94 0.38 115.31 122.81 1fx4 h LEU 952 Ca 0.20 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1fx4 h LEU 952 Cb 0.10 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1fx4 h LEU 952 CO -0.03 0.16 0.48 0.00 -0.62 0.00 0.00 178.44 178.43 1fx4 h ALA 953 N 1.12 1.07 -0.30 1.25 0.00 -1.02 0.20 119.26 121.58 1fx4 h ALA 953 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1fx4 h ALA 953 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1fx4 h ALA 953 CO -0.05 0.57 -0.05 0.37 0.00 0.00 0.00 179.25 180.08 1fx4 h GLN 954 N 1.16 0.57 -0.02 0.00 4.15 -0.89 -2.58 115.11 117.50 1fx4 h GLN 954 Ca 0.30 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1fx4 h GLN 954 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1fx4 h GLN 954 CO -0.05 0.75 -0.39 1.49 -1.93 0.00 0.00 178.83 178.69 1fx4 h GLU 955 N 0.35 0.05 0.38 1.69 4.57 -0.64 -2.40 114.58 118.58 1fx4 h GLU 955 Ca 0.08 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1fx4 h GLU 955 Cb 0.52 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1fx4 h GLU 955 CO 0.03 0.44 -0.21 1.25 -1.18 0.00 0.00 179.01 179.33 1fx4 h LEU 956 N 0.04 -0.52 -0.76 1.64 6.46 -0.35 0.22 115.31 122.04 1fx4 h LEU 956 Ca 0.00 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1fx4 h LEU 956 Cb 0.72 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.74 1fx4 h LEU 956 CO 0.05 -0.34 0.47 1.56 -0.62 0.00 0.00 178.44 179.56 1fx4 h GLN 957 N -0.55 0.86 -0.43 1.25 1.08 -1.23 -1.49 115.11 114.60 1fx4 h GLN 957 Ca -0.05 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1fx4 h GLN 957 Cb 0.44 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1fx4 h GLN 957 CO 0.06 0.57 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.38 1fx4 h LEU 958 N 0.89 0.80 -0.23 1.46 3.38 -1.20 -1.56 115.31 118.84 1fx4 h LEU 958 Ca 0.32 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1fx4 h LEU 958 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1fx4 h LEU 958 CO -0.14 0.95 0.09 0.00 0.09 0.00 0.00 178.44 179.44 1fx4 h PHE 960 N 0.22 0.70 -0.39 0.00 -1.00 -1.25 -1.11 116.94 114.11 1fx4 h PHE 960 Ca 0.08 -0.05 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1fx4 h PHE 960 Cb 0.17 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1fx4 h PHE 960 CO -0.01 0.59 -0.28 1.25 -1.61 0.00 0.00 178.31 178.25 1fx4 h LEU 961 N 0.68 0.92 -0.10 1.54 5.85 -0.96 -3.26 115.31 119.97 1fx4 h LEU 961 Ca 0.16 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1fx4 h LEU 961 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1fx4 h LEU 961 CO -0.01 1.16 -0.29 0.03 -0.34 0.00 0.00 178.44 178.99 1fx4 h ARG 962 N 0.69 0.00 -6.94 1.25 3.08 -0.78 -3.42 114.38 108.26 1fx4 h ARG 962 Ca 0.08 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.60 1fx4 h ARG 962 Cb 0.86 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.99 1fx4 h ARG 962 CO 0.08 0.29 0.66 -1.17 -1.07 0.00 0.00 179.97 178.76 1fx4 s LEU 963 N -6.39 4.27 -0.50 3.04 2.96 -0.45 -4.96 118.68 116.65 1fx4 s LEU 963 Ca 0.05 2.76 -0.23 0.00 -0.22 0.00 0.00 54.13 56.49 1fx4 s LEU 963 Cb 0.07 -3.81 0.04 0.00 0.50 0.00 0.00 46.19 42.99 1fx4 s LEU 963 CO 0.71 -0.82 0.82 -0.62 -1.32 0.00 0.00 176.35 175.12 1fx4 s ASP 964 N -0.55 6.35 0.00 3.68 2.15 -1.26 -4.88 116.67 122.16 1fx4 s ASP 964 Ca 0.55 -0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.43 1fx4 s ASP 964 Cb -0.41 -2.39 1.22 0.00 -0.30 0.00 0.00 42.92 41.04 1fx4 s ASP 964 CO 0.53 -1.05 1.87 0.79 -0.17 0.00 0.00 175.17 177.14 1fx4 n TRP 965 N 6.95 0.00 -2.30 -5.34 7.02 -1.26 -4.91 117.44 117.60 1fx4 n TRP 965 Ca 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.32 1fx4 n TRP 965 Cb 0.47 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 28.95 1fx4 n TRP 965 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1fx4 n GLU 966 N -1.40 -1.34 -3.59 -0.99 1.02 -1.26 -4.97 120.64 108.11 1fx4 n GLU 966 Ca 0.09 0.82 -0.10 0.00 -0.02 0.00 0.00 57.16 57.96 1fx4 n GLU 966 Cb 0.26 -5.26 -0.06 0.00 -0.02 0.00 0.00 31.44 26.37 1fx4 n GLU 966 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1fx4 s THR 967 N -2.84 0.00 -1.50 2.62 -1.32 -1.26 -5.01 115.64 106.33 1fx4 s THR 967 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1fx4 s THR 967 Cb 0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1fx4 s THR 967 CO 0.00 0.00 0.88 -3.20 -2.21 0.00 0.00 174.62 170.09 1fx4 n ASN 968 N 1.06 1.98 -0.11 8.08 5.15 -1.26 -4.64 115.26 125.52 1fx4 n ASN 968 Ca -0.10 -1.49 0.04 0.00 -0.60 0.00 0.00 54.58 52.43 1fx4 n ASN 968 Cb 0.57 0.02 0.37 0.00 -0.53 0.00 0.00 39.78 40.22 1fx4 n ASN 968 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fx4 h ALA 969 N 2.37 1.67 -0.34 5.20 0.00 -1.99 -1.40 119.26 124.76 1fx4 h ALA 969 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1fx4 h ALA 969 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1fx4 h ALA 969 CO 0.00 0.28 -0.17 0.28 0.00 0.00 0.00 179.25 179.64 1fx4 h VAL 970 N 0.71 1.29 -0.50 0.00 2.07 -1.95 -1.58 116.25 116.30 1fx4 h VAL 970 Ca 0.23 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1fx4 h VAL 970 Cb 0.04 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1fx4 h VAL 970 CO -0.06 0.42 -0.14 0.44 0.02 0.00 0.00 177.57 178.25 1fx4 h ASP 971 N 0.49 0.95 -0.58 0.57 3.32 -1.74 -0.42 116.42 119.02 1fx4 h ASP 971 Ca 0.08 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1fx4 h ASP 971 Cb 0.70 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1fx4 h ASP 971 CO 0.05 1.09 0.33 -0.33 -1.72 0.00 0.00 179.24 178.65 1fx4 h GLU 972 N 0.84 0.80 -0.36 3.56 5.08 -1.18 -0.91 114.58 122.40 1fx4 h GLU 972 Ca 0.13 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1fx4 h GLU 972 Cb 0.69 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1fx4 h GLU 972 CO 0.05 0.60 0.15 0.77 -1.00 0.00 0.00 179.01 179.59 1fx4 h SER 973 N 0.78 0.50 -0.87 1.42 0.02 -0.99 -0.69 113.55 113.71 1fx4 h SER 973 Ca 0.20 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1fx4 h SER 973 Cb 0.03 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 1fx4 h SER 973 CO -0.03 0.52 0.55 1.88 -1.14 0.00 0.00 176.83 178.60 1fx4 h TYR 974 N 0.45 1.02 -0.64 3.45 0.99 -0.61 0.45 116.97 122.08 1fx4 h TYR 974 Ca 0.12 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 1fx4 h TYR 974 Cb 0.17 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 37.54 1fx4 h TYR 974 CO -0.01 0.54 0.03 0.00 -0.00 0.00 0.00 178.16 178.73 1fx4 h ARG 975 N 1.03 1.10 -0.48 4.88 3.08 -0.82 -2.50 114.38 120.66 1fx4 h ARG 975 Ca 0.37 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1fx4 h ARG 975 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1fx4 h ARG 975 CO -0.15 1.05 0.28 0.93 -1.07 0.00 0.00 179.97 181.00 1fx4 h GLU 976 N 1.01 0.66 -0.96 0.04 5.08 -0.14 -1.75 114.58 118.52 1fx4 h GLU 976 Ca 0.18 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1fx4 h GLU 976 Cb 0.53 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1fx4 h GLU 976 CO 0.03 0.50 0.62 0.74 -1.00 0.00 0.00 179.01 179.90 1fx4 h PHE 977 N 0.64 1.15 -0.39 4.33 0.05 -0.73 0.18 116.94 122.17 1fx4 h PHE 977 Ca 0.17 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.95 1fx4 h PHE 977 Cb 0.02 -0.38 -0.02 0.00 2.00 0.00 0.00 35.95 37.58 1fx4 h PHE 977 CO -0.02 0.62 0.07 0.93 -0.18 0.00 0.00 178.31 179.73 1fx4 h GLU 978 N 1.16 0.65 -0.65 1.51 5.08 -1.01 -0.78 114.58 120.53 1fx4 h GLU 978 Ca 0.40 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1fx4 h GLU 978 Cb 0.10 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1fx4 h GLU 978 CO -0.15 0.69 0.25 0.93 -1.00 0.00 0.00 179.01 179.73 1fx4 h GLU 979 N 0.50 0.98 -0.76 2.33 5.08 -0.61 0.55 114.58 122.65 1fx4 h GLU 979 Ca 0.12 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1fx4 h GLU 979 Cb 0.35 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1fx4 h GLU 979 CO 0.01 0.83 0.26 1.96 -1.00 0.00 0.00 179.01 181.06 1fx4 h GLN 980 N 0.92 1.16 -0.11 2.33 4.20 -0.52 -2.58 115.11 120.51 1fx4 h GLN 980 Ca 0.22 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 1fx4 h GLN 980 Cb 0.22 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1fx4 h GLN 980 CO -0.02 0.97 -0.56 -0.09 -0.67 0.00 0.00 178.83 178.47 1fx4 h ARG 981 N 1.12 0.34 -0.29 1.46 2.43 -0.79 -3.19 114.38 115.47 1fx4 h ARG 981 Ca 0.25 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1fx4 h ARG 981 Cb 0.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1fx4 h ARG 981 CO -0.01 0.81 -0.02 0.00 -1.51 0.00 0.00 179.97 179.24 1fx4 h ALA 982 N 1.15 0.39 -0.37 2.80 0.00 -0.52 -2.01 119.26 120.70 1fx4 h ALA 982 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1fx4 h ALA 982 Cb 1.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1fx4 h ALA 982 CO 0.09 0.15 -0.04 1.05 0.00 0.00 0.00 179.25 180.51 1fx4 h GLU 983 N 0.30 0.60 -0.01 0.00 4.11 -1.54 -3.12 114.58 114.93 1fx4 h GLU 983 Ca 0.08 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1fx4 h GLU 983 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1fx4 h GLU 983 CO 0.02 0.65 -0.26 0.41 0.07 0.00 0.00 179.01 179.90 1fx4 n GLY 984 N -0.73 -0.50 3.04 1.06 0.00 -1.19 -4.84 105.19 102.04 1fx4 n GLY 984 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1fx4 n GLY 984 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fx4 s GLU 985 N -2.46 1.95 0.23 1.61 2.02 -0.76 -5.09 118.70 116.20 1fx4 s GLU 985 Ca 0.25 -0.49 -0.19 0.00 0.02 0.00 0.00 54.97 54.56 1fx4 s GLU 985 Cb 0.19 -1.62 -0.08 0.00 0.10 0.00 0.00 34.13 32.72 1fx4 s GLU 985 CO 0.51 0.00 0.73 0.00 0.02 0.00 0.00 175.26 176.52 1fx4 n GLU 987 N 0.64 -1.01 -3.65 0.00 -0.00 -1.26 -5.06 120.64 110.30 1fx4 n GLU 987 Ca -0.02 1.26 0.01 0.00 -0.00 0.00 0.00 57.16 58.41 1fx4 n GLU 987 Cb 0.51 -4.66 -0.06 0.00 -0.00 0.00 0.00 31.44 27.23 1fx4 n GLU 987 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1fx4 s TYR 988 N -2.96 -0.05 0.01 -1.84 5.04 -1.26 -5.09 117.35 111.19 1fx4 s TYR 988 Ca 0.01 0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.78 1fx4 s TYR 988 Cb -0.00 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 1fx4 s TYR 988 CO 0.56 -0.03 -0.11 0.95 -1.34 0.00 0.00 175.55 175.58 1fx4 s THR 989 N 0.73 0.86 0.01 4.34 -4.23 -1.26 -4.79 115.64 111.29 1fx4 s THR 989 Ca -0.03 -0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 1fx4 s THR 989 Cb -0.03 -0.74 -0.08 0.00 1.34 0.00 0.00 72.50 72.99 1fx4 s THR 989 CO -0.12 0.14 1.94 -2.16 -0.54 0.00 0.00 174.62 173.89 1fx4 s PRO 990 N -0.51 4.10 0.00 3.99 0.04 -1.26 -4.88 135.00 136.48 1fx4 s PRO 990 Ca 0.03 2.53 0.24 0.00 0.04 0.00 0.00 61.00 63.84 1fx4 s PRO 990 Cb -0.05 -4.15 1.05 0.00 0.04 0.00 0.00 34.50 31.38 1fx4 s PRO 990 CO 0.00 -1.00 1.78 -0.35 0.04 0.00 0.00 177.00 177.47 1fx4 n PRO 991 N 7.56 0.02 0.00 0.56 -0.04 -1.26 -4.34 135.00 137.49 1fx4 n PRO 991 Ca 0.20 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1fx4 n PRO 991 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1fx4 n PRO 991 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fx4 n THR 992 N -1.49 0.00 0.31 0.52 -2.24 -1.26 -4.54 114.28 105.57 1fx4 n THR 992 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1fx4 n THR 992 Cb 0.28 -0.09 0.50 0.00 -2.10 0.00 0.00 70.33 68.92 1fx4 n THR 992 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fx4 n ALA 993 N -0.60 1.43 0.66 6.98 0.00 -1.26 -1.88 120.51 125.84 1fx4 n ALA 993 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1fx4 n ALA 993 Cb 0.06 -1.34 0.22 0.00 0.00 0.00 0.00 19.45 18.38 1fx4 n ALA 993 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fx4 n SER 994 N -2.19 3.04 -4.81 0.00 7.64 -1.26 -4.95 113.62 111.10 1fx4 n SER 994 Ca 0.01 -1.94 -0.34 0.00 1.01 0.00 0.00 58.87 57.60 1fx4 n SER 994 Cb 0.15 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1fx4 n SER 994 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fx4 s LEU 995 N -1.66 4.04 0.55 -3.43 1.43 -0.79 -5.03 118.68 113.79 1fx4 s LEU 995 Ca 0.35 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 55.03 1fx4 s LEU 995 Cb 0.21 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 1fx4 s LEU 995 CO 0.31 -0.35 1.15 -1.81 0.23 0.00 0.00 176.35 175.88 1fx4 s ASP 996 N -1.98 5.59 0.21 2.29 -0.00 -1.26 -4.73 116.67 116.79 1fx4 s ASP 996 Ca 0.60 2.25 -0.19 0.00 -0.00 0.00 0.00 52.55 55.20 1fx4 s ASP 996 Cb -0.13 -2.59 0.19 0.00 -0.00 0.00 0.00 42.92 40.39 1fx4 s ASP 996 CO 0.17 -1.31 1.57 -0.65 -0.00 0.00 0.00 175.17 174.95 1fx4 h PRO 997 N 1.15 -0.08 -0.30 8.23 0.11 -1.97 0.16 132.00 139.29 1fx4 h PRO 997 Ca -0.50 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1fx4 h PRO 997 Cb 1.27 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1fx4 h PRO 997 CO 0.57 -0.05 -0.14 0.93 -0.21 0.00 0.00 178.00 179.09 1fx4 h GLU 998 N -0.08 0.52 -0.29 1.05 3.07 -2.00 -2.43 114.58 114.41 1fx4 h GLU 998 Ca 0.29 -0.16 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 1fx4 h GLU 998 Cb 0.57 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1fx4 h GLU 998 CO -0.83 0.65 -0.46 0.28 -1.40 0.00 0.00 179.01 177.25 1fx4 h VAL 999 N 0.48 1.28 -0.24 3.13 2.07 -1.61 -3.13 116.25 118.23 1fx4 h VAL 999 Ca 0.09 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1fx4 h VAL 999 Cb 0.52 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1fx4 h VAL 999 CO 0.03 0.54 0.15 0.22 0.02 0.00 0.00 177.57 178.53 1fx4 h TYR 1000N 0.60 0.29 0.00 1.57 3.20 -0.52 -2.71 116.97 119.41 1fx4 h TYR 1000Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fx4 h TYR 1000Cb 1.07 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1fx4 h TYR 1000CO 0.07 0.18 0.00 -1.13 -1.64 0.00 0.00 178.16 175.65 1fx4 n SER 1001N -4.93 0.43 0.12 -2.11 3.41 -0.94 -0.08 113.62 109.53 1fx4 n SER 1001Ca -0.02 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1fx4 n SER 1001Cb 0.03 -0.70 0.20 0.00 -0.26 0.00 0.00 64.21 63.48 1fx4 n SER 1001CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1fx4 h ARG 1002N 0.00 0.00 0.00 4.33 9.65 -1.43 -3.38 114.38 123.56 1fx4 h ARG 1002Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1fx4 h ARG 1002Cb 0.31 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1fx4 h ARG 1002CO 0.00 0.00 -1.09 1.28 2.80 0.00 0.00 179.97 182.96 1fx4 n LEU 1003N -2.53 0.00 -3.93 3.80 4.77 -0.45 -5.04 117.00 113.61 1fx4 n LEU 1003Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1fx4 n LEU 1003Cb 0.48 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1fx4 n LEU 1003CO 0.35 0.01 -0.39 0.26 -1.33 0.00 0.00 177.39 176.28 1fx4 s TRP 1004N -2.11 0.37 -0.30 -1.77 0.52 0.89 -4.96 118.94 111.58 1fx4 s TRP 1004Ca -0.01 -0.07 -0.14 0.00 0.02 0.00 0.00 56.10 55.90 1fx4 s TRP 1004Cb 0.01 -0.24 0.17 0.00 -1.15 0.00 0.00 33.47 32.26 1fx4 s TRP 1004CO 0.07 -0.01 1.02 1.21 0.02 0.00 0.00 176.95 179.26 1fx4 s ASN 1005N -0.05 -0.53 0.00 2.95 2.47 -1.26 -4.20 114.94 114.32 1fx4 s ASN 1005Ca 0.01 0.60 0.00 0.00 0.42 0.00 0.00 52.86 53.89 1fx4 s ASN 1005Cb -0.02 1.55 0.00 0.00 -1.45 0.00 0.00 41.25 41.33 1fx4 s ASN 1005CO -0.00 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 1fx4 n GLY 1006N 5.06 -1.39 3.75 1.21 0.00 -1.26 -4.31 105.19 108.25 1fx4 n GLY 1006Ca -0.08 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1fx4 n GLY 1006CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fx4 n LEU 1007N 0.00 4.42 -4.52 0.99 4.77 -1.26 -4.70 117.00 116.69 1fx4 n LEU 1007Ca 0.00 1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 56.75 1fx4 n LEU 1007Cb 0.00 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 39.37 1fx4 n LEU 1007CO 0.00 0.18 -0.20 -0.13 -1.33 0.00 0.00 177.39 175.91 1fx4 s ARG 1008N -0.53 3.75 -0.19 3.23 0.52 -1.26 -4.92 118.95 119.56 1fx4 s ARG 1008Ca 0.64 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 55.34 1fx4 s ARG 1008Cb -0.49 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.38 1fx4 s ARG 1008CO 0.49 -0.23 0.05 0.08 0.02 0.00 0.00 175.30 175.71 1fx4 s VAL 1009N 1.70 4.59 0.03 3.52 1.01 -1.26 0.13 120.40 130.12 1fx4 s VAL 1009Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1fx4 s VAL 1009Cb -0.16 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1fx4 s VAL 1009CO 0.08 0.44 0.41 0.00 0.00 0.00 0.00 175.10 176.03 1fx4 s ARG 1010N 0.62 3.85 -0.02 2.72 1.70 0.08 -0.84 118.95 127.06 1fx4 s ARG 1010Ca 0.03 0.32 0.01 0.00 -0.47 0.00 0.00 55.73 55.62 1fx4 s ARG 1010Cb -0.13 -3.12 0.01 0.00 -0.57 0.00 0.00 34.95 31.14 1fx4 s ARG 1010CO 0.02 0.63 -0.05 0.08 -1.08 0.00 0.00 175.30 174.90 1fx4 s VAL 1011N -1.22 0.46 -0.02 4.99 1.01 -0.32 -1.99 120.40 123.32 1fx4 s VAL 1011Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1fx4 s VAL 1011Cb -0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1fx4 s VAL 1011CO 0.15 0.17 -0.18 -0.83 0.00 0.00 0.00 175.10 174.41 1fx4 s GLY 1012N 0.40 0.88 -0.03 4.51 0.00 -0.47 -0.78 107.32 111.83 1fx4 s GLY 1012Ca -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1fx4 s GLY 1012CO -0.00 -0.62 -0.08 -0.42 0.00 0.00 0.00 173.10 171.97 1fx4 s ILE 1013N -0.39 0.73 -0.02 0.90 1.01 0.53 -1.23 121.20 122.74 1fx4 s ILE 1013Ca 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1fx4 s ILE 1013Cb -0.07 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.74 1fx4 s ILE 1013CO -0.00 0.24 0.21 -2.28 0.00 0.00 0.00 174.94 173.10 1fx4 s HIS 1014N 0.33 -0.08 -0.03 3.97 2.46 -0.77 -1.77 115.29 119.40 1fx4 s HIS 1014Ca -0.05 0.13 0.06 0.00 0.47 0.00 0.00 55.06 55.67 1fx4 s HIS 1014Cb -0.10 0.02 -0.01 0.00 -0.13 0.00 0.00 32.58 32.36 1fx4 s HIS 1014CO 0.01 -0.29 -0.21 0.99 -2.47 0.00 0.00 174.74 172.77 1fx4 s THR 1015N -1.09 1.69 0.00 0.89 2.01 -1.26 -0.50 115.64 117.38 1fx4 s THR 1015Ca -0.12 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1fx4 s THR 1015Cb -0.06 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.03 1fx4 s THR 1015CO 0.02 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1fx4 n GLY 1016N 2.72 0.61 3.76 4.40 0.00 -0.32 -4.54 105.19 111.83 1fx4 n GLY 1016Ca -0.16 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1fx4 n GLY 1016CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fx4 s LEU 1017N 0.00 4.50 0.21 0.99 2.01 -1.26 -0.23 118.68 124.90 1fx4 s LEU 1017Ca 0.00 2.40 0.09 0.00 0.01 0.00 0.00 54.13 56.63 1fx4 s LEU 1017Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 46.19 42.50 1fx4 s LEU 1017CO 0.00 -0.28 -0.16 0.00 1.01 0.00 0.00 176.35 176.91 1fx4 s ASP 1019N -3.20 6.40 -0.11 0.00 1.01 -0.80 -4.81 116.67 115.17 1fx4 s ASP 1019Ca 0.22 -0.13 -0.19 0.00 0.71 0.00 0.00 52.55 53.16 1fx4 s ASP 1019Cb -0.03 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1fx4 s ASP 1019CO 0.08 -0.89 0.53 -0.63 0.21 0.00 0.00 175.17 174.47 1fx4 s ILE 1020N 3.21 5.16 -0.07 0.77 1.01 -1.26 -1.23 121.20 128.78 1fx4 s ILE 1020Ca 0.29 1.06 0.05 0.00 0.00 0.00 0.00 60.65 62.05 1fx4 s ILE 1020Cb -0.12 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1fx4 s ILE 1020CO 0.22 0.30 -0.24 -0.13 0.00 0.00 0.00 174.94 175.09 1fx4 s ARG 1021N 0.70 2.72 -0.09 2.79 0.52 0.18 -4.97 118.95 120.80 1fx4 s ARG 1021Ca 0.28 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1fx4 s ARG 1021Cb -0.16 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 1fx4 s ARG 1021CO 0.12 0.29 0.07 -0.47 0.02 0.00 0.00 175.30 175.33 1fx4 s TYR 1022N 0.06 3.36 -0.22 -0.53 6.14 -1.26 0.04 117.35 124.94 1fx4 s TYR 1022Ca -0.10 0.34 -0.05 0.00 0.64 0.00 0.00 57.07 57.90 1fx4 s TYR 1022Cb -0.15 -1.85 -0.02 0.00 0.42 0.00 0.00 41.96 40.36 1fx4 s TYR 1022CO 0.06 0.59 -0.01 0.34 0.64 0.00 0.00 175.55 177.17 1fx4 s ASP 1023N -1.04 4.59 0.18 4.32 2.15 0.76 -4.99 116.67 122.64 1fx4 s ASP 1023Ca 0.15 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.78 1fx4 s ASP 1023Cb -0.12 -1.79 0.07 0.00 -0.30 0.00 0.00 42.92 40.78 1fx4 s ASP 1023CO 0.04 0.01 1.50 -0.08 -0.17 0.00 0.00 175.17 176.47 1fx4 h GLU 1024N 7.90 0.68 -0.32 4.34 4.81 -1.94 -0.21 114.58 129.85 1fx4 h GLU 1024Ca -0.39 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.29 1fx4 h GLU 1024Cb 1.17 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1fx4 h GLU 1024CO 0.60 1.02 -0.41 -0.24 -0.73 0.00 0.00 179.01 179.25 1fx4 h VAL 1025N 0.53 1.28 0.00 0.32 3.04 -1.97 -3.28 116.25 116.18 1fx4 h VAL 1025Ca 0.02 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1fx4 h VAL 1025Cb 1.05 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1fx4 h VAL 1025CO 0.10 0.52 -1.38 0.35 -1.01 0.00 0.00 177.57 176.15 1fx4 n THR 1026N -4.11 0.04 -1.16 3.17 -2.24 -1.25 -4.95 114.28 103.78 1fx4 n THR 1026Ca -0.04 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1fx4 n THR 1026Cb 0.55 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1fx4 n THR 1026CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fx4 n LYS 1027N -1.89 -0.91 -2.84 -0.78 0.00 -0.10 -4.99 118.16 106.65 1fx4 n LYS 1027Ca 0.01 0.57 -0.23 0.00 -0.00 0.00 0.00 58.31 58.65 1fx4 n LYS 1027Cb 0.44 -4.44 0.02 0.00 -0.00 0.00 0.00 35.03 31.05 1fx4 n LYS 1027CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1fx4 s GLY 1028N -2.43 1.61 0.01 2.58 0.00 -1.16 -4.80 107.32 103.13 1fx4 s GLY 1028Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1fx4 s GLY 1028CO 0.00 -0.82 -0.20 -0.19 0.00 0.00 0.00 173.10 171.89 1fx4 s TYR 1029N -2.66 2.52 0.19 1.90 1.51 -1.26 -0.17 117.35 119.39 1fx4 s TYR 1029Ca 0.50 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.33 1fx4 s TYR 1029Cb -0.10 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1fx4 s TYR 1029CO 0.39 0.16 -0.07 0.34 -1.11 0.00 0.00 175.55 175.27 1fx4 s ASP 1030N -1.07 1.98 -0.09 2.29 3.68 0.11 -4.81 116.67 118.76 1fx4 s ASP 1030Ca 0.13 -1.10 -0.00 0.00 2.13 0.00 0.00 52.55 53.70 1fx4 s ASP 1030Cb -0.10 -0.03 0.02 0.00 -1.45 0.00 0.00 42.92 41.36 1fx4 s ASP 1030CO 0.02 -0.37 -0.06 -0.31 0.13 0.00 0.00 175.17 174.58 1fx4 s TYR 1031N -3.29 1.20 0.40 -5.34 1.51 -1.26 -0.65 117.35 109.93 1fx4 s TYR 1031Ca 0.22 -0.53 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1fx4 s TYR 1031Cb 0.03 -1.06 -0.07 0.00 -0.11 0.00 0.00 41.96 40.75 1fx4 s TYR 1031CO 0.05 -0.42 0.03 0.71 -1.11 0.00 0.00 175.55 174.80 1fx4 s TYR 1032N 1.66 2.28 0.00 2.71 1.51 -0.37 -4.76 117.35 120.38 1fx4 s TYR 1032Ca 0.03 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1fx4 s TYR 1032Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1fx4 s TYR 1032CO -0.06 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 1fx4 n GLY 1033N -0.93 0.86 0.33 0.71 0.00 -1.26 -1.90 105.19 103.00 1fx4 n GLY 1033Ca -0.06 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.90 1fx4 n GLY 1033CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fx4 h ARG 1034N 0.00 0.20 -0.29 1.61 3.08 -1.98 -2.14 114.38 114.85 1fx4 h ARG 1034Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1fx4 h ARG 1034Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1fx4 h ARG 1034CO 0.00 0.13 0.12 1.15 -1.07 0.00 0.00 179.97 180.30 1fx4 h THR 1035N 0.20 1.17 -0.51 2.04 2.02 -1.84 0.31 112.91 116.30 1fx4 h THR 1035Ca 0.18 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 1fx4 h THR 1035Cb 0.45 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1fx4 h THR 1035CO -0.03 0.17 0.02 -1.28 0.37 0.00 0.00 175.52 174.78 1fx4 h SER 1036N 0.32 0.87 -0.08 4.18 0.87 -1.68 -1.84 113.55 116.19 1fx4 h SER 1036Ca 0.10 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1fx4 h SER 1036Cb 0.16 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1fx4 h SER 1036CO -0.01 0.95 -0.16 0.78 -0.53 0.00 0.00 176.83 177.86 1fx4 h ASN 1037N 0.76 0.43 -0.35 6.23 2.35 -1.09 -1.32 115.58 122.59 1fx4 h ASN 1037Ca 0.15 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1fx4 h ASN 1037Cb 0.49 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1fx4 h ASN 1037CO 0.02 0.61 -0.08 -0.03 -1.65 0.00 0.00 177.43 176.31 1fx4 h MET 1038N 0.41 0.67 -0.64 0.81 4.05 -0.14 -0.71 114.93 119.37 1fx4 h MET 1038Ca 0.07 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.21 1fx4 h MET 1038Cb 0.52 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 1fx4 h MET 1038CO 0.03 0.83 0.28 0.00 0.23 0.00 0.00 176.91 178.28 1fx4 h ALA 1039N 0.82 0.83 -0.35 0.39 0.00 -0.99 -1.44 119.26 118.52 1fx4 h ALA 1039Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1fx4 h ALA 1039Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1fx4 h ALA 1039CO 0.03 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.81 1fx4 h ALA 1040N 1.12 0.46 0.00 0.00 0.00 -1.10 -1.97 119.26 117.77 1fx4 h ALA 1040Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1fx4 h ALA 1040Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fx4 h ALA 1040CO -0.02 0.11 -0.25 0.00 0.00 0.00 0.00 179.25 179.09 1fx4 h ARG 1041N 0.42 0.00 -0.27 0.00 3.08 -1.00 -1.01 114.38 115.59 1fx4 h ARG 1041Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1fx4 h ARG 1041Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1fx4 h ARG 1041CO -0.00 0.25 -0.30 1.15 -1.07 0.00 0.00 179.97 180.00 1fx4 h THR 1042N 0.00 1.31 -0.67 2.04 2.02 -0.97 -2.73 112.91 113.92 1fx4 h THR 1042Ca -0.00 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 1fx4 h THR 1042Cb 0.72 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 1fx4 h THR 1042CO 0.03 0.47 0.20 -0.08 0.37 0.00 0.00 175.52 176.52 1fx4 h GLU 1043N 0.41 1.04 -0.09 6.66 4.22 -1.06 -2.79 114.58 122.96 1fx4 h GLU 1043Ca 0.04 -0.23 0.02 0.00 0.08 0.00 0.00 59.36 59.28 1fx4 h GLU 1043Cb 0.87 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1fx4 h GLU 1043CO 0.07 0.91 0.06 0.66 -2.18 0.00 0.00 179.01 178.53 1fx4 h SER 1044N 0.97 0.01 0.54 1.04 4.64 -0.90 -1.53 113.55 118.32 1fx4 h SER 1044Ca 0.21 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1fx4 h SER 1044Cb 0.30 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1fx4 h SER 1044CO -0.01 0.01 -0.50 1.33 -0.87 0.00 0.00 176.83 176.79 1fx4 n VAL 1045N -4.51 0.03 -2.67 0.95 0.24 -1.05 -4.67 118.33 106.64 1fx4 n VAL 1045Ca -0.01 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.34 61.91 1fx4 n VAL 1045Cb 0.17 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 1fx4 n VAL 1045CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fx4 s ALA 1046N -3.02 3.07 0.63 2.33 0.00 -0.58 -0.66 121.76 123.54 1fx4 s ALA 1046Ca 0.11 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1fx4 s ALA 1046Cb 0.17 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 20.12 1fx4 s ALA 1046CO 0.70 -0.05 0.89 -0.80 0.00 0.00 0.00 175.76 176.50 1fx4 s ASN 1047N -1.79 5.05 0.22 0.00 0.01 -1.26 -4.79 114.94 112.38 1fx4 s ASN 1047Ca 0.58 0.21 -0.31 0.00 -0.71 0.00 0.00 52.86 52.64 1fx4 s ASN 1047Cb -0.17 -0.98 -0.10 0.00 0.41 0.00 0.00 41.25 40.41 1fx4 s ASN 1047CO 0.22 -1.37 1.48 -0.83 -1.51 0.00 0.00 177.10 175.10 1fx4 s GLY 1048N -4.47 2.07 0.00 0.66 0.00 -1.26 -1.68 107.32 102.64 1fx4 s GLY 1048Ca 0.59 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.65 1fx4 s GLY 1048CO 0.41 2.40 0.00 0.61 0.00 0.00 0.00 173.10 176.53 1fx4 n GLY 1049N 2.72 0.88 3.73 0.20 0.00 -0.02 -4.82 105.19 107.88 1fx4 n GLY 1049Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1fx4 n GLY 1049CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fx4 s GLN 1050N -0.15 2.99 -0.18 1.61 0.74 -0.68 -4.92 119.66 119.07 1fx4 s GLN 1050Ca 0.00 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.94 1fx4 s GLN 1050Cb 0.00 -2.81 0.02 0.00 1.10 0.00 0.00 33.01 31.33 1fx4 s GLN 1050CO 0.00 0.67 -0.18 0.08 -0.55 0.00 0.00 175.29 175.31 1fx4 s VAL 1051N -1.07 1.92 -0.07 1.34 1.01 -1.26 -1.17 120.40 121.10 1fx4 s VAL 1051Ca 0.19 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1fx4 s VAL 1051Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1fx4 s VAL 1051CO 0.09 0.48 -0.11 -0.76 0.00 0.00 0.00 175.10 174.80 1fx4 s LEU 1052N 1.34 2.93 -0.03 3.92 1.43 0.04 -1.38 118.68 126.92 1fx4 s LEU 1052Ca 0.04 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1fx4 s LEU 1052Cb -0.13 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1fx4 s LEU 1052CO -0.12 0.33 -0.21 -0.04 0.23 0.00 0.00 176.35 176.54 1fx4 s MET 1053N -0.61 1.87 0.79 1.70 -1.94 0.63 -0.34 119.30 121.40 1fx4 s MET 1053Ca 0.09 -0.74 -0.12 0.00 -1.71 0.00 0.00 55.69 53.22 1fx4 s MET 1053Cb -0.11 -1.71 0.07 0.00 2.01 0.00 0.00 34.83 35.09 1fx4 s MET 1053CO 0.01 0.38 1.11 0.95 -0.01 0.00 0.00 175.02 177.47 1fx4 s THR 1054N -0.29 2.89 0.25 2.05 -4.23 -0.73 -0.46 115.64 115.13 1fx4 s THR 1054Ca 0.03 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1fx4 s THR 1054Cb -0.10 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.84 1fx4 s THR 1054CO 0.01 -0.38 1.85 -0.74 -0.54 0.00 0.00 174.62 174.82 1fx4 h HIS 1055N -1.03 1.03 -0.72 3.99 2.76 -1.60 -0.34 115.15 119.24 1fx4 h HIS 1055Ca -0.47 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 1fx4 h HIS 1055Cb 1.28 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1fx4 h HIS 1055CO 0.43 0.49 0.47 0.00 -1.30 0.00 0.00 177.93 178.03 1fx4 h ALA 1056N 1.44 0.93 -0.00 5.26 0.00 -1.89 0.20 119.26 125.20 1fx4 h ALA 1056Ca 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1fx4 h ALA 1056Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fx4 h ALA 1056CO -0.20 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.35 1fx4 h ALA 1057N 1.28 0.01 -0.56 0.00 0.00 -1.64 -1.89 119.26 116.46 1fx4 h ALA 1057Ca 0.27 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1fx4 h ALA 1057Cb -0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1fx4 h ALA 1057CO -0.07 -0.28 0.25 -0.92 0.00 0.00 0.00 179.25 178.23 1fx4 h TYR 1058N -0.41 0.45 0.00 0.00 3.20 -0.83 -1.11 116.97 118.27 1fx4 h TYR 1058Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fx4 h TYR 1058Cb 0.43 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1fx4 h TYR 1058CO 0.07 0.18 0.00 -1.33 -1.64 0.00 0.00 178.16 175.44 1fx4 n MET 1059N -4.93 0.36 0.19 1.82 2.81 0.68 -2.65 117.12 115.40 1fx4 n MET 1059Ca 0.07 0.01 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 1fx4 n MET 1059Cb 0.20 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.39 1fx4 n MET 1059CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1fx4 h SER 1060N 0.00 0.00 -4.21 7.83 0.02 -0.34 -3.44 113.55 113.41 1fx4 h SER 1060Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1fx4 h SER 1060Cb 0.30 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.90 1fx4 h SER 1060CO 0.00 0.27 0.38 -0.76 -1.14 0.00 0.00 176.83 175.58 1fx4 s LEU 1061N -6.43 3.45 0.75 5.07 1.43 -1.08 -4.88 118.68 116.99 1fx4 s LEU 1061Ca 0.04 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 1fx4 s LEU 1061Cb 0.07 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.81 1fx4 s LEU 1061CO 0.69 -1.18 1.08 -0.94 0.23 0.00 0.00 176.35 176.23 1fx4 s SER 1062N -2.93 4.95 0.33 2.29 1.04 -1.26 -4.85 113.70 113.27 1fx4 s SER 1062Ca 0.63 1.39 0.01 0.00 0.48 0.00 0.00 55.95 58.47 1fx4 s SER 1062Cb -0.16 -2.19 0.58 0.00 0.10 0.00 0.00 66.02 64.35 1fx4 s SER 1062CO 0.39 -1.69 1.96 1.23 0.98 0.00 0.00 173.24 176.11 1fx4 h GLY 1063N -0.89 1.09 0.97 7.32 0.00 -1.96 -1.48 103.07 108.12 1fx4 h GLY 1063Ca -0.46 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 1fx4 h GLY 1063CO 0.59 0.33 0.10 -2.09 0.00 0.00 0.00 176.54 175.47 1fx4 h GLU 1064N 0.96 0.77 -0.72 4.80 4.81 -1.99 -2.54 114.58 120.66 1fx4 h GLU 1064Ca 0.31 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1fx4 h GLU 1064Cb 0.05 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1fx4 h GLU 1064CO -0.09 0.76 0.30 -0.44 -0.73 0.00 0.00 179.01 178.81 1fx4 h ASP 1065N 0.65 0.98 -0.29 1.04 3.32 -1.74 -2.69 116.42 117.69 1fx4 h ASP 1065Ca 0.15 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1fx4 h ASP 1065Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1fx4 h ASP 1065CO 0.00 0.88 0.07 0.03 -1.72 0.00 0.00 179.24 178.51 1fx4 h ARG 1066N 1.02 0.54 0.00 3.56 3.08 -1.10 -2.10 114.38 119.38 1fx4 h ARG 1066Ca 0.24 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1fx4 h ARG 1066Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1fx4 h ARG 1066CO -0.02 0.51 0.00 -0.91 -1.07 0.00 0.00 179.97 178.48 1fx4 h ASN 1067N 0.53 0.00 0.43 7.04 2.35 -1.13 -2.57 115.58 122.23 1fx4 h ASN 1067Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1fx4 h ASN 1067Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1fx4 h ASN 1067CO -0.00 0.00 -0.21 0.00 -1.65 0.00 0.00 177.43 175.57 1fx4 n GLN 1068N -2.34 0.51 -4.11 0.81 6.02 -0.79 -4.89 117.38 112.60 1fx4 n GLN 1068Ca 0.03 -0.22 -0.27 0.00 -0.01 0.00 0.00 57.00 56.53 1fx4 n GLN 1068Cb 0.33 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1fx4 n GLN 1068CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fx4 s LEU 1069N -2.64 3.66 -0.38 1.08 1.43 -0.97 -5.09 118.68 115.78 1fx4 s LEU 1069Ca 0.23 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1fx4 s LEU 1069Cb 0.19 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1fx4 s LEU 1069CO 0.54 0.10 0.21 -0.62 0.23 0.00 0.00 176.35 176.81 1fx4 s ASP 1070N -2.85 5.75 0.06 2.29 -1.08 -1.26 -5.01 116.67 114.57 1fx4 s ASP 1070Ca 0.29 -0.99 0.06 0.00 -0.52 0.00 0.00 52.55 51.39 1fx4 s ASP 1070Cb -0.10 -2.03 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 1fx4 s ASP 1070CO 0.22 -0.39 -0.16 -0.69 0.52 0.00 0.00 175.17 174.67 1fx4 s VAL 1071N 1.56 1.27 -0.11 1.11 1.01 -1.26 -0.34 120.40 123.64 1fx4 s VAL 1071Ca 0.02 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1fx4 s VAL 1071Cb -0.19 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1fx4 s VAL 1071CO 0.07 -0.09 -0.19 -0.89 0.00 0.00 0.00 175.10 174.00 1fx4 s THR 1072N -1.08 1.80 0.05 3.92 2.01 0.76 -4.94 115.64 118.16 1fx4 s THR 1072Ca 0.01 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1fx4 s THR 1072Cb -0.09 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1fx4 s THR 1072CO 0.02 0.50 1.11 0.42 -0.69 0.00 0.00 174.62 175.98 1fx4 s THR 1073N 0.73 4.32 -0.51 -0.82 -4.23 -1.26 0.18 115.64 114.05 1fx4 s THR 1073Ca -0.11 1.70 0.18 0.00 -1.18 0.00 0.00 61.69 62.28 1fx4 s THR 1073Cb -0.16 -4.09 -0.23 0.00 1.34 0.00 0.00 72.50 69.36 1fx4 s THR 1073CO 0.02 0.15 0.61 0.18 -0.54 0.00 0.00 174.62 175.04 1fx4 n LEU 1074N 3.72 0.50 0.00 4.79 4.32 -0.18 -4.91 117.00 125.25 1fx4 n LEU 1074Ca 0.07 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 1fx4 n LEU 1074Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1fx4 n LEU 1074CO 0.54 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1fx4 n GLY 1075N 1.44 -2.61 3.74 -0.72 0.00 -1.18 -4.86 105.19 101.00 1fx4 n GLY 1075Ca 0.01 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1fx4 n GLY 1075CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx4 s ALA 1076N -1.08 3.76 -0.02 4.61 0.00 -1.26 -1.57 121.76 126.20 1fx4 s ALA 1076Ca 0.00 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1fx4 s ALA 1076Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1fx4 s ALA 1076CO 0.00 -0.93 -0.10 0.99 0.00 0.00 0.00 175.76 175.72 1fx4 s THR 1077N 0.25 0.81 -0.23 0.00 2.01 0.95 -4.86 115.64 114.57 1fx4 s THR 1077Ca 0.65 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 62.02 1fx4 s THR 1077Cb -0.47 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1fx4 s THR 1077CO 0.44 0.24 0.66 -0.69 -0.69 0.00 0.00 174.62 174.58 1fx4 s VAL 1078N -0.06 4.97 -0.09 3.82 1.01 -1.26 0.17 120.40 128.96 1fx4 s VAL 1078Ca 0.01 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 1fx4 s VAL 1078Cb -0.06 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1fx4 s VAL 1078CO -0.00 0.04 -0.06 -0.76 0.00 0.00 0.00 175.10 174.32 1fx4 s LEU 1079N 2.35 3.20 0.23 3.92 1.02 -1.26 -4.83 118.68 123.29 1fx4 s LEU 1079Ca 0.28 -0.04 -0.31 0.00 0.02 0.00 0.00 54.13 54.08 1fx4 s LEU 1079Cb -0.16 -1.71 -0.12 0.00 0.02 0.00 0.00 46.19 44.23 1fx4 s LEU 1079CO 0.09 0.33 1.68 -0.60 0.02 0.00 0.00 176.35 177.87 1fx4 s ARG 1080N -0.59 4.13 0.00 1.70 3.00 -1.26 -1.73 118.95 124.21 1fx4 s ARG 1080Ca 0.09 2.59 0.00 0.00 -1.00 0.00 0.00 55.73 57.41 1fx4 s ARG 1080Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.77 1fx4 s ARG 1080CO 0.02 -0.72 0.00 0.41 0.00 0.00 0.00 175.30 175.01 1fx4 n GLY 1081N 3.52 0.55 3.26 8.12 0.00 -1.26 -5.00 105.19 114.38 1fx4 n GLY 1081Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1fx4 n GLY 1081CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fx4 s VAL 1082N -2.34 2.86 0.11 1.61 1.01 -0.70 -5.04 120.40 117.91 1fx4 s VAL 1082Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1fx4 s VAL 1082Cb 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1fx4 s VAL 1082CO 0.00 0.48 1.72 -0.65 0.00 0.00 0.00 175.10 176.65 1fx4 h PRO 1083N 7.74 -0.02 -6.22 2.72 0.11 -1.95 -3.42 132.00 130.97 1fx4 h PRO 1083Ca -0.39 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.12 1fx4 h PRO 1083Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1fx4 h PRO 1083CO 0.60 -0.01 -0.59 -1.21 -0.21 0.00 0.00 178.00 176.57 1fx4 s GLU 1084N -6.19 2.82 0.54 1.05 2.02 -1.26 -5.07 118.70 112.60 1fx4 s GLU 1084Ca -0.13 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 53.81 1fx4 s GLU 1084Cb 0.08 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 1fx4 s GLU 1084CO 0.67 0.51 1.36 -2.14 0.02 0.00 0.00 175.26 175.68 1fx4 s PRO 1085N -2.78 3.16 -0.18 0.39 0.02 -1.26 -4.76 135.00 129.59 1fx4 s PRO 1085Ca 0.30 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 1fx4 s PRO 1085Cb -0.11 -2.27 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 1fx4 s PRO 1085CO 0.22 -1.17 -0.06 0.08 -0.33 0.00 0.00 177.00 175.73 1fx4 s VAL 1086N -1.30 3.42 -0.01 3.83 1.01 0.13 -4.76 120.40 122.71 1fx4 s VAL 1086Ca 0.71 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1fx4 s VAL 1086Cb -0.40 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1fx4 s VAL 1086CO 0.48 0.47 1.34 -0.13 0.00 0.00 0.00 175.10 177.25 1fx4 s ARG 1087N 0.92 4.30 -0.05 2.72 0.52 -1.26 -0.03 118.95 126.07 1fx4 s ARG 1087Ca -0.01 1.88 -0.00 0.00 -0.52 0.00 0.00 55.73 57.07 1fx4 s ARG 1087Cb -0.15 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 1fx4 s ARG 1087CO 0.01 -0.53 0.00 1.41 0.02 0.00 0.00 175.30 176.20 1fx4 s MET 1088N 2.32 2.91 -0.11 3.54 1.75 -0.61 -1.41 119.30 127.70 1fx4 s MET 1088Ca 0.61 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 54.58 1fx4 s MET 1088Cb -0.29 -2.74 0.01 0.00 2.84 0.00 0.00 34.83 34.65 1fx4 s MET 1088CO 0.25 0.67 -0.16 0.71 -0.65 0.00 0.00 175.02 175.84 1fx4 s TYR 1089N -0.97 2.01 -0.26 4.11 1.51 0.39 -1.01 117.35 123.13 1fx4 s TYR 1089Ca 0.16 -0.93 -0.17 0.00 -1.01 0.00 0.00 57.07 55.11 1fx4 s TYR 1089Cb -0.11 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1fx4 s TYR 1089CO 0.06 -0.47 0.49 -1.14 -1.11 0.00 0.00 175.55 173.37 1fx4 s GLN 1090N 0.93 4.06 -0.37 -0.62 0.74 0.13 -0.27 119.66 124.26 1fx4 s GLN 1090Ca -0.08 0.27 -0.26 0.00 0.05 0.00 0.00 55.36 55.34 1fx4 s GLN 1090Cb -0.15 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.32 1fx4 s GLN 1090CO -0.01 -0.33 0.91 -1.17 -0.55 0.00 0.00 175.29 174.14 1fx4 s LEU 1091N 2.25 4.01 -1.46 3.68 2.96 -0.48 -0.17 118.68 129.48 1fx4 s LEU 1091Ca 0.20 0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 54.53 1fx4 s LEU 1091Cb -0.16 -3.23 0.04 0.00 0.50 0.00 0.00 46.19 43.34 1fx4 s LEU 1091CO 0.09 -0.85 2.25 0.59 -1.32 0.00 0.00 176.35 177.12 1fx4 n ASN 1092N 6.74 4.29 -0.08 3.68 5.03 0.54 -4.34 115.26 131.12 1fx4 n ASN 1092Ca 0.07 -2.84 0.01 0.00 0.87 0.00 0.00 54.58 52.68 1fx4 n ASN 1092Cb 0.48 -1.64 0.30 0.00 -1.02 0.00 0.00 39.78 37.91 1fx4 n ASN 1092CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fx4 h ALA 1093N 5.91 1.48 -3.13 5.41 0.00 -1.91 -3.28 119.26 123.74 1fx4 h ALA 1093Ca 0.58 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.76 1fx4 h ALA 1093Cb 0.61 -0.21 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 1fx4 h ALA 1093CO 1.86 0.42 -0.68 0.08 0.00 0.00 0.00 179.25 180.93 1fx4 s VAL 1094N -5.43 2.03 0.21 0.00 1.01 -1.26 -4.75 120.40 112.20 1fx4 s VAL 1094Ca -0.09 -3.10 -0.32 0.00 0.00 0.00 0.00 61.98 58.47 1fx4 s VAL 1094Cb 0.17 -2.40 -0.15 0.00 0.00 0.00 0.00 36.38 34.00 1fx4 s VAL 1094CO 0.76 -0.89 1.24 -2.65 0.00 0.00 0.00 175.10 173.56 1fx4 n PRO 1095N 3.12 1.49 0.00 2.72 -0.02 -1.24 -2.71 135.00 138.36 1fx4 n PRO 1095Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1fx4 n PRO 1095Cb 0.34 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1fx4 n PRO 1095CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fx4 n GLY 1096N 1.98 2.49 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.92 1fx4 n GLY 1096Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1fx4 n GLY 1096CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fx4 s ARG 1097N -0.52 3.99 0.13 1.61 0.52 -1.10 -5.05 118.95 118.53 1fx4 s ARG 1097Ca 0.00 1.89 0.10 0.00 -0.52 0.00 0.00 55.73 57.20 1fx4 s ARG 1097Cb 0.00 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1fx4 s ARG 1097CO 0.00 -0.39 -0.20 -0.80 0.02 0.00 0.00 175.30 173.93 1fx4 s ASN 1098N -1.09 3.76 0.17 0.23 0.02 -1.26 -5.12 114.94 111.64 1fx4 s ASN 1098Ca 0.58 -0.63 0.03 0.00 -1.02 0.00 0.00 52.86 51.82 1fx4 s ASN 1098Cb -0.32 -0.46 -0.05 0.00 0.02 0.00 0.00 41.25 40.44 1fx4 s ASN 1098CO 0.40 0.17 -0.04 -0.36 0.02 0.00 0.00 177.10 177.28 1fx4 s PHE 1099N -1.23 1.28 0.95 2.20 0.40 -1.26 -4.78 117.98 115.54 1fx4 s PHE 1099Ca 0.18 -0.89 -0.16 0.00 -0.60 0.00 0.00 56.93 55.46 1fx4 s PHE 1099Cb -0.10 -0.71 0.23 0.00 0.51 0.00 0.00 43.02 42.95 1fx4 s PHE 1099CO 0.10 -0.06 1.09 0.00 0.70 0.00 0.00 175.22 177.04 1fx4 n ALA 1100N -0.25 -2.01 -0.95 5.36 0.00 -1.26 -4.91 120.51 116.49 1fx4 n ALA 1100Ca -0.08 -1.49 -0.31 0.00 0.00 0.00 0.00 53.44 51.57 1fx4 n ALA 1100Cb 0.62 -0.09 0.14 0.00 0.00 0.00 0.00 19.45 20.12 1fx4 n ALA 1100CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fx4 s ALA 1101N -3.59 1.71 0.54 0.00 0.00 -1.26 -4.93 121.76 114.23 1fx4 s ALA 1101Ca 0.65 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1fx4 s ALA 1101Cb -0.03 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1fx4 s ALA 1101CO 0.47 -2.39 1.32 -0.51 0.00 0.00 0.00 175.76 174.66 1fx4 s LEU 1102N -6.33 3.85 -0.68 0.00 1.43 -1.26 -4.83 118.68 110.85 1fx4 s LEU 1102Ca 0.64 2.68 -0.05 0.00 -1.03 0.00 0.00 54.13 56.38 1fx4 s LEU 1102Cb -0.20 -4.30 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 1fx4 s LEU 1102CO 0.57 -1.51 2.03 0.54 0.23 0.00 0.00 176.35 178.22 1fx4 n ARG 1103N -1.03 1.74 -1.62 1.70 1.74 0.17 -4.92 116.66 114.44 1fx4 n ARG 1103Ca 0.10 -1.21 -0.31 0.00 -0.77 0.00 0.00 57.85 55.66 1fx4 n ARG 1103Cb 0.46 -2.29 0.05 0.00 -1.02 0.00 0.00 32.46 29.66 1fx4 n ARG 1103CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1fx4 s LEU 1104N 0.07 3.19 0.20 0.55 1.02 -1.26 -4.47 118.68 117.98 1fx4 s LEU 1104Ca 0.36 1.68 -0.10 0.00 0.02 0.00 0.00 54.13 56.09 1fx4 s LEU 1104Cb 0.11 -4.51 0.24 0.00 0.02 0.00 0.00 46.19 42.05 1fx4 s LEU 1104CO -0.02 -1.47 1.75 -2.24 0.02 0.00 0.00 176.35 174.39 1fx4 h ASP 1105N -0.55 0.24 0.00 2.29 2.03 -1.91 -3.52 116.42 115.01 1fx4 h ASP 1105Ca -0.44 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1fx4 h ASP 1105Cb 1.21 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1fx4 h ASP 1105CO 0.56 0.15 0.00 -2.11 -1.03 0.00 0.00 179.24 176.82