#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fx2 n ASN 889 N 0.00 0.00 0.02 1.20 3.02 -1.26 -2.66 115.26 115.58 1fx2 n ASN 889 Ca 0.00 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.13 1fx2 n ASN 889 Cb 0.00 -0.48 0.56 0.00 -0.61 0.00 0.00 39.78 39.25 1fx2 n ASN 889 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1fx2 h ASN 890 N 0.00 0.23 0.50 6.41 -1.24 -2.02 -1.54 115.58 117.92 1fx2 h ASN 890 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1fx2 h ASN 890 Cb 0.20 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1fx2 h ASN 890 CO 0.00 0.14 -0.30 0.54 -1.29 0.00 0.00 177.43 176.53 1fx2 n ARG 891 N -4.47 0.30 -2.16 6.67 1.74 -1.09 -4.87 116.66 112.79 1fx2 n ARG 891 Ca 0.06 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 1fx2 n ARG 891 Cb 0.32 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1fx2 n ARG 891 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fx2 s ALA 892 N -2.80 3.60 0.13 7.54 0.00 -0.58 -4.51 121.76 125.14 1fx2 s ALA 892 Ca 0.18 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 1fx2 s ALA 892 Cb 0.19 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1fx2 s ALA 892 CO 0.59 -0.81 1.78 -2.14 0.00 0.00 0.00 175.76 175.18 1fx2 s PRO 893 N 1.89 4.15 0.00 0.00 0.02 -1.26 -4.86 135.00 134.94 1fx2 s PRO 893 Ca 0.65 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.22 1fx2 s PRO 893 Cb -0.35 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.66 1fx2 s PRO 893 CO 0.29 -0.81 0.00 1.63 -0.33 0.00 0.00 177.00 177.78 1fx2 n LYS 894 N 5.39 4.21 -3.06 5.54 5.02 -1.26 -5.01 118.16 128.99 1fx2 n LYS 894 Ca 0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 1fx2 n LYS 894 Cb 0.38 -0.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.84 1fx2 n LYS 894 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fx2 s GLU 895 N -0.91 3.91 0.55 1.97 2.56 -1.26 -4.94 118.70 120.58 1fx2 s GLU 895 Ca 0.00 0.38 0.23 0.00 0.00 0.00 0.00 54.97 55.59 1fx2 s GLU 895 Cb 0.00 -3.73 1.49 0.00 2.00 0.00 0.00 34.13 33.89 1fx2 s GLU 895 CO 0.00 -0.62 2.14 -1.00 -0.56 0.00 0.00 175.26 175.22 1fx2 h PRO 896 N 8.18 0.00 -0.03 4.30 0.13 -1.95 -1.85 132.00 140.77 1fx2 h PRO 896 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1fx2 h PRO 896 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1fx2 h PRO 896 CO 0.83 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 1fx2 n THR 897 N -4.21 0.03 -3.91 1.56 -2.24 -1.26 -4.57 114.28 99.68 1fx2 n THR 897 Ca 0.00 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1fx2 n THR 897 Cb 0.23 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1fx2 n THR 897 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fx2 s ASP 898 N -1.94 5.55 0.55 3.42 1.01 -0.70 -5.07 116.67 119.50 1fx2 s ASP 898 Ca 0.38 0.00 -0.22 0.00 0.71 0.00 0.00 52.55 53.43 1fx2 s ASP 898 Cb 0.20 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 1fx2 s ASP 898 CO 0.33 0.10 1.37 -2.84 0.21 0.00 0.00 175.17 174.34 1fx2 s PRO 899 N 0.80 3.11 -0.10 8.23 0.02 -1.26 -4.74 135.00 141.06 1fx2 s PRO 899 Ca 0.04 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 1fx2 s PRO 899 Cb -0.13 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 1fx2 s PRO 899 CO 0.02 -1.22 -0.00 0.08 -0.33 0.00 0.00 177.00 175.55 1fx2 s VAL 900 N -1.29 4.27 -0.28 3.83 1.01 -0.15 -4.85 120.40 122.95 1fx2 s VAL 900 Ca 0.72 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1fx2 s VAL 900 Cb -0.41 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1fx2 s VAL 900 CO 0.49 0.58 0.19 -0.89 0.00 0.00 0.00 175.10 175.46 1fx2 s THR 901 N -0.58 5.31 -0.07 3.92 2.01 -0.93 -1.30 115.64 124.00 1fx2 s THR 901 Ca 0.10 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1fx2 s THR 901 Cb -0.12 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1fx2 s THR 901 CO 0.02 0.26 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.40 1fx2 s LEU 902 N 1.70 3.26 -0.10 4.42 1.43 0.08 -0.69 118.68 128.79 1fx2 s LEU 902 Ca 0.07 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1fx2 s LEU 902 Cb -0.16 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1fx2 s LEU 902 CO 0.10 0.36 -0.19 -0.63 0.23 0.00 0.00 176.35 176.22 1fx2 s ILE 903 N -0.84 1.75 -0.01 -0.59 1.01 0.23 -1.82 121.20 120.93 1fx2 s ILE 903 Ca 0.13 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1fx2 s ILE 903 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1fx2 s ILE 903 CO 0.02 0.49 -0.17 -0.36 0.00 0.00 0.00 174.94 174.92 1fx2 s PHE 904 N 0.66 2.61 0.07 3.97 0.40 -0.49 -0.73 117.98 124.47 1fx2 s PHE 904 Ca -0.13 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1fx2 s PHE 904 Cb -0.16 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1fx2 s PHE 904 CO 0.03 0.19 -0.09 0.95 0.70 0.00 0.00 175.22 177.00 1fx2 s THR 905 N -0.80 0.74 -0.06 0.64 -4.23 -0.64 -1.34 115.64 109.96 1fx2 s THR 905 Ca 0.13 -1.44 -0.20 0.00 -1.18 0.00 0.00 61.69 59.00 1fx2 s THR 905 Cb -0.11 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.69 1fx2 s THR 905 CO 0.02 -0.52 0.45 -1.81 -0.54 0.00 0.00 174.62 172.23 1fx2 s ASP 906 N -2.15 -0.39 0.05 3.99 1.11 -0.72 -2.01 116.67 116.56 1fx2 s ASP 906 Ca -0.00 0.46 -0.30 0.00 0.18 0.00 0.00 52.55 52.88 1fx2 s ASP 906 Cb -0.05 0.52 -0.05 0.00 1.07 0.00 0.00 42.92 44.42 1fx2 s ASP 906 CO -0.01 -0.43 1.07 -0.63 1.18 0.00 0.00 175.17 176.35 1fx2 s ILE 907 N -0.95 4.41 0.19 0.77 1.01 -1.26 -0.41 121.20 124.96 1fx2 s ILE 907 Ca -0.10 1.79 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 1fx2 s ILE 907 Cb -0.03 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1fx2 s ILE 907 CO 0.05 0.17 1.34 -0.70 0.00 0.00 0.00 174.94 175.81 1fx2 s GLU 908 N 0.78 4.36 -1.43 2.79 2.12 0.48 -3.43 118.70 124.37 1fx2 s GLU 908 Ca 0.54 2.09 -0.04 0.00 0.36 0.00 0.00 54.97 57.92 1fx2 s GLU 908 Cb -0.25 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1fx2 s GLU 908 CO 0.29 -0.31 0.55 0.43 -0.54 0.00 0.00 175.26 175.68 1fx2 n SER 909 N 2.85 -5.76 -0.35 -1.70 7.64 -1.26 -4.80 113.62 110.24 1fx2 n SER 909 Ca 0.07 -0.26 -0.00 0.00 1.01 0.00 0.00 58.87 59.69 1fx2 n SER 909 Cb 0.42 -4.59 0.13 0.00 -1.01 0.00 0.00 64.21 59.16 1fx2 n SER 909 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1fx2 h SER 910 N -1.25 1.02 0.01 6.43 0.87 -1.97 -0.81 113.55 117.84 1fx2 h SER 910 Ca -0.49 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.09 1fx2 h SER 910 Cb 1.34 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1fx2 h SER 910 CO 0.52 0.69 -0.14 0.74 -0.53 0.00 0.00 176.83 178.12 1fx2 h THR 911 N 1.18 0.67 -0.21 2.23 2.02 -1.91 -0.46 112.91 116.42 1fx2 h THR 911 Ca 0.38 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.46 1fx2 h THR 911 Cb 0.02 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1fx2 h THR 911 CO -0.13 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.48 1fx2 h ALA 912 N 0.71 1.12 -0.46 6.16 0.00 -1.85 -1.42 119.26 123.52 1fx2 h ALA 912 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1fx2 h ALA 912 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fx2 h ALA 912 CO -0.13 0.55 -0.10 -0.07 0.00 0.00 0.00 179.25 179.50 1fx2 h LEU 913 N 0.36 0.89 -1.15 0.00 3.38 -0.84 -1.58 115.31 116.38 1fx2 h LEU 913 Ca 0.05 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1fx2 h LEU 913 Cb 0.69 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1fx2 h LEU 913 CO 0.05 1.04 -0.11 -0.50 0.09 0.00 0.00 178.44 179.02 1fx2 h TRP 914 N 0.73 0.50 -0.40 1.13 4.06 -0.92 0.13 115.95 121.18 1fx2 h TRP 914 Ca 0.12 -0.07 -0.16 0.00 2.06 0.00 0.00 58.89 60.84 1fx2 h TRP 914 Cb 0.65 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1fx2 h TRP 914 CO 0.05 0.57 -0.36 0.00 -3.56 0.00 0.00 178.44 175.14 1fx2 h ALA 915 N 1.45 0.60 0.00 1.49 0.00 -1.00 -2.94 119.26 118.86 1fx2 h ALA 915 Ca 0.08 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1fx2 h ALA 915 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1fx2 h ALA 915 CO 0.03 0.68 -0.91 0.00 0.00 0.00 0.00 179.25 179.04 1fx2 h ALA 916 N 0.80 0.41 -2.08 0.00 0.00 -1.15 -3.40 119.26 113.84 1fx2 h ALA 916 Ca 0.07 -0.83 -0.51 0.00 0.00 0.00 0.00 54.91 53.64 1fx2 h ALA 916 Cb 0.95 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.19 1fx2 h ALA 916 CO 0.09 1.14 -1.04 0.72 0.00 0.00 0.00 179.25 180.16 1fx2 n HIS 917 N -3.33 1.27 0.30 0.00 8.25 0.45 -4.92 115.22 117.24 1fx2 n HIS 917 Ca 0.00 -3.87 0.19 0.00 -0.26 0.00 0.00 57.72 53.78 1fx2 n HIS 917 Cb 0.90 -0.44 0.86 0.00 1.12 0.00 0.00 29.99 32.43 1fx2 n HIS 917 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1fx2 h PRO 918 N 3.00 0.00 -0.01 -0.41 0.13 -1.71 -1.01 132.00 131.99 1fx2 h PRO 918 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1fx2 h PRO 918 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1fx2 h PRO 918 CO 0.59 0.01 -0.24 -0.25 -0.23 0.00 0.00 178.00 177.87 1fx2 n ASP 919 N -3.11 1.22 -0.04 1.44 8.00 -1.26 -4.15 116.55 118.65 1fx2 n ASP 919 Ca -0.01 -1.05 -0.04 0.00 0.71 0.00 0.00 54.79 54.40 1fx2 n ASP 919 Cb 0.23 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 1fx2 n ASP 919 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fx2 n LEU 920 N -0.45 0.41 -0.26 0.64 4.77 -0.65 -4.73 117.00 116.73 1fx2 n LEU 920 Ca 0.13 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1fx2 n LEU 920 Cb 0.37 0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1fx2 n LEU 920 CO 0.25 0.26 0.98 0.24 -1.33 0.00 0.00 177.39 177.78 1fx2 h MET 921 N 0.00 1.14 -0.60 3.23 2.86 -1.38 -1.63 114.93 118.55 1fx2 h MET 921 Ca -0.21 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.27 1fx2 h MET 921 Cb 1.46 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.88 1fx2 h MET 921 CO 0.01 0.97 0.22 -1.35 1.06 0.00 0.00 176.91 177.82 1fx2 h PRO 922 N 1.08 0.38 -0.07 -0.22 0.11 -1.85 0.19 132.00 131.63 1fx2 h PRO 922 Ca 0.23 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.15 1fx2 h PRO 922 Cb 0.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1fx2 h PRO 922 CO -0.01 0.25 -0.68 -0.44 -0.21 0.00 0.00 178.00 176.92 1fx2 h ASP 923 N 0.40 0.37 -0.35 -2.05 3.32 -1.82 -1.25 116.42 115.03 1fx2 h ASP 923 Ca 0.30 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1fx2 h ASP 923 Cb 0.37 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1fx2 h ASP 923 CO -0.31 0.93 -0.32 0.00 -1.72 0.00 0.00 179.24 177.83 1fx2 h ALA 924 N 1.06 0.51 -0.24 3.45 0.00 -0.70 -1.11 119.26 122.23 1fx2 h ALA 924 Ca -0.02 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1fx2 h ALA 924 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1fx2 h ALA 924 CO 0.11 0.55 -0.56 0.28 0.00 0.00 0.00 179.25 179.64 1fx2 h VAL 925 N 0.61 1.29 -0.72 0.00 2.07 -0.61 -0.84 116.25 118.06 1fx2 h VAL 925 Ca 0.06 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1fx2 h VAL 925 Cb 0.90 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1fx2 h VAL 925 CO 0.08 0.57 0.48 0.00 0.02 0.00 0.00 177.57 178.71 1fx2 h ALA 926 N 0.81 1.59 -0.45 1.67 0.00 -1.07 -0.52 119.26 121.29 1fx2 h ALA 926 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1fx2 h ALA 926 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1fx2 h ALA 926 CO 0.12 0.33 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 1fx2 h ALA 927 N 1.58 0.63 -0.30 0.00 0.00 -0.73 -1.40 119.26 119.05 1fx2 h ALA 927 Ca 0.29 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1fx2 h ALA 927 Cb 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1fx2 h ALA 927 CO -0.08 0.64 -0.12 1.25 0.00 0.00 0.00 179.25 180.94 1fx2 h HIS 928 N 0.80 -0.27 -0.84 0.00 -0.00 -0.47 -0.55 115.15 113.81 1fx2 h HIS 928 Ca 0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1fx2 h HIS 928 Cb 0.82 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.36 1fx2 h HIS 928 CO 0.06 -0.18 0.38 0.45 -0.00 0.00 0.00 177.93 178.63 1fx2 h HIS 929 N -0.06 1.23 -0.69 5.26 3.86 -0.76 -0.56 115.15 123.43 1fx2 h HIS 929 Ca 0.15 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1fx2 h HIS 929 Cb 0.29 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1fx2 h HIS 929 CO -0.32 0.90 0.34 0.00 0.86 0.00 0.00 177.93 179.71 1fx2 h ARG 930 N 1.20 1.00 -0.28 2.45 3.08 -0.81 -0.32 114.38 120.70 1fx2 h ARG 930 Ca 0.28 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1fx2 h ARG 930 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1fx2 h ARG 930 CO -0.03 0.78 -0.02 0.52 -1.07 0.00 0.00 179.97 180.15 1fx2 h MET 931 N 0.96 0.51 -0.56 0.04 2.86 -0.85 -0.62 114.93 117.27 1fx2 h MET 931 Ca 0.24 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1fx2 h MET 931 Cb 0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1fx2 h MET 931 CO -0.03 0.67 0.33 0.28 1.06 0.00 0.00 176.91 179.23 1fx2 h VAL 932 N 0.29 1.17 -0.14 -2.22 2.07 -1.00 -2.08 116.25 114.35 1fx2 h VAL 932 Ca 0.08 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1fx2 h VAL 932 Cb 0.46 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1fx2 h VAL 932 CO 0.02 0.18 -0.37 0.03 0.02 0.00 0.00 177.57 177.45 1fx2 h ARG 933 N 0.76 0.29 -0.73 1.57 3.08 -0.94 0.08 114.38 118.48 1fx2 h ARG 933 Ca 0.20 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1fx2 h ARG 933 Cb -0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1fx2 h ARG 933 CO -0.04 0.63 0.43 1.03 -1.07 0.00 0.00 179.97 180.95 1fx2 h SER 934 N 0.25 0.89 -0.44 7.04 0.87 -0.81 -1.89 113.55 119.45 1fx2 h SER 934 Ca 0.03 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1fx2 h SER 934 Cb 0.77 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1fx2 h SER 934 CO 0.06 0.70 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.77 1fx2 h LEU 935 N 1.00 0.98 -0.91 2.23 3.38 -0.67 -1.05 115.31 120.27 1fx2 h LEU 935 Ca 0.26 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1fx2 h LEU 935 Cb -0.02 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 1fx2 h LEU 935 CO -0.05 1.16 0.57 0.40 0.09 0.00 0.00 178.44 180.60 1fx2 h ILE 936 N 0.83 1.02 -0.19 1.22 2.04 -0.64 -0.69 117.51 121.10 1fx2 h ILE 936 Ca 0.11 -0.34 -0.20 0.00 1.00 0.00 0.00 64.86 65.43 1fx2 h ILE 936 Cb 0.79 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1fx2 h ILE 936 CO 0.07 0.18 -0.66 1.23 0.00 0.00 0.00 178.15 178.97 1fx2 h GLY 937 N 1.00 0.86 0.86 5.37 0.00 -1.20 -1.35 103.07 108.62 1fx2 h GLY 937 Ca 0.41 -1.14 0.03 0.00 0.00 0.00 0.00 47.33 46.63 1fx2 h GLY 937 CO -0.20 1.02 0.43 -0.09 0.00 0.00 0.00 176.54 177.70 1fx2 h ARG 938 N 0.52 0.82 -0.52 4.80 2.43 -0.82 -1.97 114.38 119.64 1fx2 h ARG 938 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1fx2 h ARG 938 Cb 1.28 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1fx2 h ARG 938 CO 0.14 0.54 0.00 0.66 -1.51 0.00 0.00 179.97 179.80 1fx2 n TYR 939 N -4.67 0.70 -2.80 2.20 4.02 -0.30 -4.95 117.16 111.35 1fx2 n TYR 939 Ca 0.07 -0.35 -0.21 0.00 -0.01 0.00 0.00 57.90 57.41 1fx2 n TYR 939 Cb 0.09 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1fx2 n TYR 939 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fx2 n LYS 940 N 1.00 -3.36 -1.38 -0.72 5.02 -0.74 -4.88 118.16 113.09 1fx2 n LYS 940 Ca 0.17 0.83 -0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1fx2 n LYS 940 Cb 0.44 -5.58 0.07 0.00 -0.02 0.00 0.00 35.03 29.94 1fx2 n LYS 940 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fx2 s TYR 942 N -1.59 0.76 -0.24 0.00 5.04 -0.05 -4.72 117.35 116.56 1fx2 s TYR 942 Ca 0.32 -0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.44 1fx2 s TYR 942 Cb -0.02 -0.74 -0.00 0.00 0.35 0.00 0.00 41.96 41.55 1fx2 s TYR 942 CO 0.22 -0.25 1.20 -2.00 -1.34 0.00 0.00 175.55 173.37 1fx2 s GLU 943 N 1.31 4.13 -0.13 4.97 2.12 -1.26 -0.54 118.70 129.30 1fx2 s GLU 943 Ca -0.05 1.40 -0.13 0.00 0.36 0.00 0.00 54.97 56.56 1fx2 s GLU 943 Cb -0.14 -3.77 -0.11 0.00 0.26 0.00 0.00 34.13 30.38 1fx2 s GLU 943 CO -0.02 -0.83 0.27 0.28 -0.54 0.00 0.00 175.26 174.41 1fx2 h VAL 944 N 5.64 0.69 -2.56 3.70 2.07 -1.22 -3.48 116.25 121.10 1fx2 h VAL 944 Ca -0.24 -1.56 0.07 0.00 0.82 0.00 0.00 66.70 65.80 1fx2 h VAL 944 Cb 1.09 1.34 -0.13 0.00 -1.52 0.00 0.00 31.29 32.07 1fx2 h VAL 944 CO 1.00 0.23 0.39 -1.59 0.02 0.00 0.00 177.57 177.62 1fx2 s LYS 945 N -1.91 1.07 -0.01 1.57 -2.85 -1.11 -4.93 119.74 111.56 1fx2 s LYS 945 Ca -0.10 -0.44 0.04 0.00 -1.00 0.00 0.00 55.97 54.46 1fx2 s LYS 945 Cb -0.00 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1fx2 s LYS 945 CO 0.31 -0.47 -0.12 0.99 0.10 0.00 0.00 175.35 176.15 1fx2 s THR 946 N -3.39 0.98 -0.18 3.79 2.01 -1.26 -1.22 115.64 116.36 1fx2 s THR 946 Ca 0.05 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1fx2 s THR 946 Cb -0.01 -0.82 0.05 0.00 0.01 0.00 0.00 72.50 71.73 1fx2 s THR 946 CO -0.08 0.28 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 1fx2 s VAL 947 N -0.29 0.99 0.00 3.82 1.01 -0.32 -4.98 120.40 120.63 1fx2 s VAL 947 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1fx2 s VAL 947 Cb -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1fx2 s VAL 947 CO -0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1fx2 n GLY 948 N 4.90 2.96 1.29 4.51 0.00 -1.26 -0.84 105.19 116.75 1fx2 n GLY 948 Ca -0.11 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1fx2 n GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fx2 n ASP 949 N 5.56 3.76 -4.67 1.61 5.75 -1.26 -4.92 116.55 122.37 1fx2 n ASP 949 Ca 0.00 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 1fx2 n ASP 949 Cb 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 39.60 1fx2 n ASP 949 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1fx2 s SER 950 N -1.07 6.90 -0.03 -1.12 0.01 -0.02 -4.41 113.70 113.95 1fx2 s SER 950 Ca 0.46 1.10 -0.03 0.00 1.31 0.00 0.00 55.95 58.80 1fx2 s SER 950 Cb 0.25 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1fx2 s SER 950 CO 0.32 -0.36 0.13 -0.36 0.41 0.00 0.00 173.24 173.39 1fx2 s PHE 951 N 2.06 3.46 -0.16 2.43 0.40 -0.85 -1.18 117.98 124.14 1fx2 s PHE 951 Ca 0.36 0.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.03 1fx2 s PHE 951 Cb -0.16 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1fx2 s PHE 951 CO 0.12 0.62 -0.17 1.41 0.70 0.00 0.00 175.22 177.91 1fx2 s MET 952 N -1.68 2.58 -0.03 0.44 -2.45 -0.36 -1.61 119.30 116.19 1fx2 s MET 952 Ca 0.23 -0.67 0.04 0.00 -1.25 0.00 0.00 55.69 54.04 1fx2 s MET 952 Cb -0.12 -2.28 -0.00 0.00 1.25 0.00 0.00 34.83 33.67 1fx2 s MET 952 CO 0.14 -0.21 -0.15 0.42 1.05 0.00 0.00 175.02 176.26 1fx2 s ILE 953 N 1.37 1.28 0.12 10.11 1.01 0.09 -0.67 121.20 134.51 1fx2 s ILE 953 Ca 0.04 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1fx2 s ILE 953 Cb -0.13 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1fx2 s ILE 953 CO -0.11 0.37 -0.12 0.00 0.00 0.00 0.00 174.94 175.08 1fx2 s ALA 954 N -0.03 2.88 -0.03 9.38 0.00 0.30 -0.60 121.76 133.65 1fx2 s ALA 954 Ca -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1fx2 s ALA 954 Cb -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1fx2 s ALA 954 CO 0.01 0.60 0.07 0.45 0.00 0.00 0.00 175.76 176.89 1fx2 s SER 955 N -2.29 -0.05 0.16 0.00 0.15 0.14 -0.87 113.70 110.94 1fx2 s SER 955 Ca 0.21 0.14 0.22 0.00 0.70 0.00 0.00 55.95 57.22 1fx2 s SER 955 Cb -0.11 0.10 0.88 0.00 -1.71 0.00 0.00 66.02 65.19 1fx2 s SER 955 CO 0.13 -0.06 1.68 0.29 1.20 0.00 0.00 173.24 176.48 1fx2 n LYS 956 N 3.39 0.14 -4.61 5.44 5.02 -1.26 -2.19 118.16 124.08 1fx2 n LYS 956 Ca -0.17 0.30 -0.31 0.00 -2.02 0.00 0.00 58.31 56.12 1fx2 n LYS 956 Cb 0.57 -1.73 -0.17 0.00 -0.02 0.00 0.00 35.03 33.69 1fx2 n LYS 956 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fx2 s SER 957 N -3.84 2.85 0.19 4.39 0.15 -1.26 -4.89 113.70 111.29 1fx2 s SER 957 Ca 0.07 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 1fx2 s SER 957 Cb 0.11 -1.31 0.11 0.00 -1.71 0.00 0.00 66.02 63.22 1fx2 s SER 957 CO 0.40 0.06 1.64 -0.65 1.20 0.00 0.00 173.24 175.90 1fx2 h PRO 958 N 7.33 1.00 -0.19 5.44 0.11 -1.87 -2.83 132.00 140.98 1fx2 h PRO 958 Ca -0.31 -0.33 -0.11 0.00 0.11 0.00 0.00 66.00 65.35 1fx2 h PRO 958 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1fx2 h PRO 958 CO 0.53 1.01 -0.37 0.35 -0.21 0.00 0.00 178.00 179.31 1fx2 h PHE 959 N 0.90 0.49 -0.52 0.65 3.57 -1.95 -2.07 116.94 118.01 1fx2 h PHE 959 Ca 0.15 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1fx2 h PHE 959 Cb 0.60 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1fx2 h PHE 959 CO 0.04 0.74 0.03 0.00 -2.23 0.00 0.00 178.31 176.88 1fx2 h ALA 960 N 1.25 1.07 -0.50 2.41 0.00 -1.86 0.17 119.26 121.81 1fx2 h ALA 960 Ca 0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1fx2 h ALA 960 Cb 0.82 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1fx2 h ALA 960 CO 0.07 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1fx2 h ALA 961 N 1.22 0.67 -0.53 0.00 0.00 -1.20 -0.24 119.26 119.19 1fx2 h ALA 961 Ca 0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1fx2 h ALA 961 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1fx2 h ALA 961 CO 0.02 0.48 0.10 0.28 0.00 0.00 0.00 179.25 180.12 1fx2 h VAL 962 N 0.74 1.25 -0.69 0.00 2.07 -0.90 -1.69 116.25 117.02 1fx2 h VAL 962 Ca 0.14 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1fx2 h VAL 962 Cb 0.51 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1fx2 h VAL 962 CO 0.03 0.33 0.28 1.56 0.02 0.00 0.00 177.57 179.79 1fx2 h GLN 963 N 0.75 1.00 -0.21 1.57 4.20 -0.45 -1.07 115.11 120.91 1fx2 h GLN 963 Ca 0.16 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fx2 h GLN 963 Cb 0.39 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1fx2 h GLN 963 CO 0.01 0.81 0.12 1.25 -0.67 0.00 0.00 178.83 180.35 1fx2 h LEU 964 N 0.99 0.26 -0.77 1.46 6.46 -0.80 0.17 115.31 123.08 1fx2 h LEU 964 Ca 0.23 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1fx2 h LEU 964 Cb 0.18 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 1fx2 h LEU 964 CO -0.02 0.26 0.20 0.00 -0.62 0.00 0.00 178.44 178.26 1fx2 h ALA 965 N 1.01 1.00 -0.03 1.25 0.00 -0.95 0.60 119.26 122.14 1fx2 h ALA 965 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fx2 h ALA 965 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1fx2 h ALA 965 CO -0.01 0.66 0.01 0.37 0.00 0.00 0.00 179.25 180.28 1fx2 h GLN 966 N 1.07 0.04 -0.08 0.00 4.15 -1.03 -2.55 115.11 116.71 1fx2 h GLN 966 Ca 0.23 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1fx2 h GLN 966 Cb 0.33 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1fx2 h GLN 966 CO -0.00 0.18 -0.15 1.49 -1.93 0.00 0.00 178.83 178.42 1fx2 h GLU 967 N -0.11 0.12 -0.05 1.69 4.57 -0.68 -1.92 114.58 118.19 1fx2 h GLU 967 Ca 0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1fx2 h GLU 967 Cb 0.16 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1fx2 h GLU 967 CO -0.00 0.27 0.02 1.25 -1.18 0.00 0.00 179.01 179.37 1fx2 h LEU 968 N 0.11 0.07 -0.64 1.64 6.46 -0.65 0.76 115.31 123.06 1fx2 h LEU 968 Ca 0.02 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1fx2 h LEU 968 Cb 0.33 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1fx2 h LEU 968 CO 0.02 0.18 0.36 1.56 -0.62 0.00 0.00 178.44 179.94 1fx2 h GLN 969 N -0.05 0.89 -0.15 1.25 1.08 -1.09 -1.46 115.11 115.58 1fx2 h GLN 969 Ca 0.02 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1fx2 h GLN 969 Cb 0.13 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1fx2 h GLN 969 CO -0.00 0.66 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.42 1fx2 h LEU 970 N 0.88 0.31 -0.44 1.46 3.38 -0.68 -2.08 115.31 118.14 1fx2 h LEU 970 Ca 0.23 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1fx2 h LEU 970 Cb 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1fx2 h LEU 970 CO -0.04 0.62 0.14 0.00 0.09 0.00 0.00 178.44 179.26 1fx2 h PHE 972 N 0.30 0.85 -0.48 0.00 -1.00 -1.25 -1.11 116.94 114.25 1fx2 h PHE 972 Ca 0.21 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1fx2 h PHE 972 Cb 0.22 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1fx2 h PHE 972 CO -0.17 0.80 0.03 1.25 -1.61 0.00 0.00 178.31 178.62 1fx2 h LEU 973 N 0.73 0.73 0.00 1.54 5.85 -0.63 -2.95 115.31 120.58 1fx2 h LEU 973 Ca 0.14 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1fx2 h LEU 973 Cb 0.50 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1fx2 h LEU 973 CO 0.03 0.78 -0.16 0.45 -0.34 0.00 0.00 178.44 179.20 1fx2 h HIS 974 N 0.73 0.00 -3.95 1.25 3.86 -0.42 -3.44 115.15 113.18 1fx2 h HIS 974 Ca 0.15 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.83 1fx2 h HIS 974 Cb 0.40 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.97 1fx2 h HIS 974 CO 0.02 0.12 0.67 -1.58 0.86 0.00 0.00 177.93 178.02 1fx2 s HIS 975 N -3.16 2.72 -0.51 2.45 5.65 -0.49 -4.96 115.29 117.00 1fx2 s HIS 975 Ca 0.06 1.32 -0.21 0.00 0.25 0.00 0.00 55.06 56.48 1fx2 s HIS 975 Cb 0.06 -3.81 0.05 0.00 -1.18 0.00 0.00 32.58 27.70 1fx2 s HIS 975 CO 0.69 -2.44 0.74 0.34 -0.65 0.00 0.00 174.74 173.42 1fx2 s ASP 976 N -0.51 6.29 0.03 9.88 -1.08 -1.26 -4.89 116.67 125.12 1fx2 s ASP 976 Ca 0.56 -0.60 0.28 0.00 -0.52 0.00 0.00 52.55 52.27 1fx2 s ASP 976 Cb -0.41 -2.35 1.16 0.00 -1.46 0.00 0.00 42.92 39.85 1fx2 s ASP 976 CO 0.54 -0.99 1.89 0.79 0.52 0.00 0.00 175.17 177.93 1fx2 n TRP 977 N 6.64 0.14 -1.18 -5.34 7.02 -1.26 -4.92 117.44 118.54 1fx2 n TRP 977 Ca -0.03 0.04 -0.06 0.00 -1.02 0.00 0.00 57.50 56.43 1fx2 n TRP 977 Cb 0.47 -0.56 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 1fx2 n TRP 977 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fx2 n GLY 978 N 1.47 0.82 3.52 6.99 0.00 -1.26 -4.96 105.19 111.78 1fx2 n GLY 978 Ca 0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1fx2 n GLY 978 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fx2 s THR 979 N -2.07 0.00 -1.81 2.61 -1.32 -1.26 -5.02 115.64 106.77 1fx2 s THR 979 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 1fx2 s THR 979 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 1fx2 s THR 979 CO 0.00 0.00 1.20 0.59 -2.21 0.00 0.00 174.62 174.20 1fx2 n ASN 980 N 0.56 2.88 -0.06 8.08 3.02 -1.26 -4.65 115.26 123.84 1fx2 n ASN 980 Ca -0.15 -1.84 -0.04 0.00 -0.03 0.00 0.00 54.58 52.51 1fx2 n ASN 980 Cb 0.59 -0.16 0.18 0.00 -0.61 0.00 0.00 39.78 39.78 1fx2 n ASN 980 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fx2 h ALA 981 N 3.25 1.12 -0.45 5.41 0.00 -1.98 -0.20 119.26 126.40 1fx2 h ALA 981 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1fx2 h ALA 981 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1fx2 h ALA 981 CO 0.00 0.55 -0.27 -0.07 0.00 0.00 0.00 179.25 179.46 1fx2 h LEU 982 N 0.62 1.01 -0.57 0.00 3.38 -1.95 -1.36 115.31 116.44 1fx2 h LEU 982 Ca 0.11 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1fx2 h LEU 982 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1fx2 h LEU 982 CO 0.03 1.21 0.08 0.44 0.09 0.00 0.00 178.44 180.29 1fx2 h ASP 983 N 0.83 0.91 -0.85 -0.43 5.19 -1.75 -1.13 116.42 119.19 1fx2 h ASP 983 Ca 0.09 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1fx2 h ASP 983 Cb 0.86 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.09 1fx2 h ASP 983 CO 0.08 0.94 0.49 0.44 -3.12 0.00 0.00 179.24 178.07 1fx2 h ASP 984 N 0.84 1.04 -0.39 6.45 3.32 -0.96 -1.39 116.42 125.33 1fx2 h ASP 984 Ca 0.17 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1fx2 h ASP 984 Cb 0.43 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1fx2 h ASP 984 CO 0.01 0.82 0.16 0.28 -1.72 0.00 0.00 179.24 178.79 1fx2 h SER 985 N 1.17 0.54 -0.69 6.45 0.02 -0.74 -0.99 113.55 119.32 1fx2 h SER 985 Ca 0.30 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1fx2 h SER 985 Cb -0.01 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1fx2 h SER 985 CO -0.05 0.56 0.33 1.88 -1.14 0.00 0.00 176.83 178.41 1fx2 h TYR 986 N 0.49 0.99 -0.58 3.45 0.99 -0.95 -0.23 116.97 121.13 1fx2 h TYR 986 Ca 0.13 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1fx2 h TYR 986 Cb 0.18 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 37.58 1fx2 h TYR 986 CO -0.00 0.73 0.32 0.00 -0.00 0.00 0.00 178.16 179.21 1fx2 h ARG 987 N 0.95 0.81 -0.69 4.88 3.08 -1.09 -1.99 114.38 120.34 1fx2 h ARG 987 Ca 0.24 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1fx2 h ARG 987 Cb 0.11 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1fx2 h ARG 987 CO -0.03 0.62 0.35 0.93 -1.07 0.00 0.00 179.97 180.77 1fx2 h GLU 988 N 0.78 0.97 -0.77 0.04 5.08 -0.69 -1.85 114.58 118.13 1fx2 h GLU 988 Ca 0.20 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1fx2 h GLU 988 Cb 0.05 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1fx2 h GLU 988 CO -0.03 0.75 0.48 0.74 -1.00 0.00 0.00 179.01 179.94 1fx2 h PHE 989 N 0.95 0.88 -0.65 4.33 0.05 -0.85 -0.88 116.94 120.77 1fx2 h PHE 989 Ca 0.24 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 62.02 1fx2 h PHE 989 Cb 0.08 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 37.71 1fx2 h PHE 989 CO -0.00 0.47 0.28 0.93 -0.18 0.00 0.00 178.31 179.81 1fx2 h GLU 990 N 0.90 0.96 -0.63 1.51 5.08 -0.62 -0.28 114.58 121.50 1fx2 h GLU 990 Ca 0.33 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1fx2 h GLU 990 Cb 0.10 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1fx2 h GLU 990 CO -0.15 0.80 0.34 0.93 -1.00 0.00 0.00 179.01 179.93 1fx2 h GLU 991 N 0.91 0.87 -0.35 2.33 5.08 -0.96 -1.95 114.58 120.52 1fx2 h GLU 991 Ca 0.22 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1fx2 h GLU 991 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1fx2 h GLU 991 CO -0.02 0.67 -0.29 1.96 -1.00 0.00 0.00 179.01 180.32 1fx2 h GLN 992 N 0.85 0.74 0.00 2.33 4.20 -0.92 -2.53 115.11 119.77 1fx2 h GLN 992 Ca 0.22 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1fx2 h GLN 992 Cb 0.05 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1fx2 h GLN 992 CO -0.03 0.94 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.91 1fx2 h ARG 993 N 0.63 0.00 0.00 1.46 2.43 -0.65 -1.05 114.38 117.20 1fx2 h ARG 993 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1fx2 h ARG 993 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1fx2 h ARG 993 CO 0.07 0.06 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 1fx2 n ALA 994 N -2.37 1.67 0.03 2.80 0.00 -0.77 -1.89 120.51 119.98 1fx2 n ALA 994 Ca -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1fx2 n ALA 994 Cb 0.15 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 1fx2 n ALA 994 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fx2 h GLU 995 N 0.00 0.33 0.00 0.00 4.39 -1.28 -3.37 114.58 114.65 1fx2 h GLU 995 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1fx2 h GLU 995 Cb 0.27 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1fx2 h GLU 995 CO 0.00 1.19 -0.69 0.78 -1.16 0.00 0.00 179.01 179.13 1fx2 h GLY 996 N -0.29 0.00 -7.14 -3.84 0.00 -1.60 -3.42 103.07 86.78 1fx2 h GLY 996 Ca -0.12 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.54 1fx2 h GLY 996 CO 0.14 0.00 -0.82 -0.54 0.00 0.00 0.00 176.54 175.31 1fx2 s GLU 997 N -3.18 2.53 0.01 4.80 2.02 -0.79 -4.97 118.70 119.11 1fx2 s GLU 997 Ca 0.06 -1.13 0.25 0.00 0.02 0.00 0.00 54.97 54.17 1fx2 s GLU 997 Cb 0.13 -2.75 0.59 0.00 0.10 0.00 0.00 34.13 32.20 1fx2 s GLU 997 CO 0.73 -0.42 1.48 0.00 0.02 0.00 0.00 175.26 177.07 1fx2 n GLU 999 N -1.57 0.49 -3.57 0.00 2.13 -1.26 -4.92 120.64 111.94 1fx2 n GLU 999 Ca 0.05 -0.34 -0.36 0.00 0.66 0.00 0.00 57.16 57.17 1fx2 n GLU 999 Cb 0.35 -1.49 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 1fx2 n GLU 999 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1fx2 s TYR 1000N -2.75 3.49 -0.06 4.31 5.04 -1.22 -5.04 117.35 121.13 1fx2 s TYR 1000Ca 0.16 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.44 1fx2 s TYR 1000Cb 0.18 -2.30 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 1fx2 s TYR 1000CO 0.65 0.31 -0.21 0.99 -1.34 0.00 0.00 175.55 175.96 1fx2 s THR 1001N 0.22 1.75 0.09 4.34 2.01 -1.26 -4.70 115.64 118.08 1fx2 s THR 1001Ca 0.16 -0.88 -0.33 0.00 0.31 0.00 0.00 61.69 60.96 1fx2 s THR 1001Cb -0.13 -1.50 -0.12 0.00 0.01 0.00 0.00 72.50 70.76 1fx2 s THR 1001CO 0.04 0.49 1.75 -2.65 -0.69 0.00 0.00 174.62 173.57 1fx2 n PRO 1002N 3.23 2.41 0.10 4.92 -0.02 -1.26 -4.88 135.00 139.50 1fx2 n PRO 1002Ca -0.19 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.11 1fx2 n PRO 1002Cb 0.52 -2.71 0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1fx2 n PRO 1002CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1fx2 h PRO 1003N 7.69 0.10 0.00 0.52 0.11 -1.94 -3.40 132.00 135.09 1fx2 h PRO 1003Ca -0.46 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1fx2 h PRO 1003Cb 1.25 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1fx2 h PRO 1003CO 0.93 0.83 -0.47 0.25 -0.21 0.00 0.00 178.00 179.33 1fx2 n THR 1004N -3.68 0.00 0.28 -1.15 -2.24 -1.26 -4.80 114.28 101.43 1fx2 n THR 1004Ca -0.02 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1fx2 n THR 1004Cb 0.75 0.62 0.82 0.00 -2.10 0.00 0.00 70.33 70.42 1fx2 n THR 1004CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fx2 h ALA 1005N 0.00 1.23 -0.36 6.98 0.00 -1.85 -1.97 119.26 123.29 1fx2 h ALA 1005Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fx2 h ALA 1005Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fx2 h ALA 1005CO 0.00 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.06 1fx2 n HIS 1006N -3.51 0.67 -2.20 0.00 8.25 -1.26 -4.98 115.22 112.19 1fx2 n HIS 1006Ca -0.02 -0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 56.43 1fx2 n HIS 1006Cb 0.20 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1fx2 n HIS 1006CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1fx2 s MET 1007N -1.49 4.37 0.38 -0.41 -1.94 -0.74 -4.98 119.30 114.49 1fx2 s MET 1007Ca 0.31 2.07 -0.25 0.00 -1.71 0.00 0.00 55.69 56.11 1fx2 s MET 1007Cb 0.19 -3.19 -0.12 0.00 2.01 0.00 0.00 34.83 33.72 1fx2 s MET 1007CO 0.15 -0.28 0.94 -3.47 -0.01 0.00 0.00 175.02 172.36 1fx2 n ASP 1008N 2.69 0.97 -0.06 3.03 2.03 -1.26 -4.55 116.55 119.40 1fx2 n ASP 1008Ca 0.06 1.07 0.19 0.00 0.52 0.00 0.00 54.79 56.63 1fx2 n ASP 1008Cb 0.43 -1.30 0.64 0.00 -0.72 0.00 0.00 41.12 40.17 1fx2 n ASP 1008CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1fx2 h PRO 1009N 1.59 0.12 -0.21 -0.67 0.11 -1.98 0.80 132.00 131.75 1fx2 h PRO 1009Ca -0.42 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 1fx2 h PRO 1009Cb 1.35 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1fx2 h PRO 1009CO 0.57 0.08 -0.51 0.93 -0.21 0.00 0.00 178.00 178.86 1fx2 h GLU 1010N 0.12 0.58 0.04 1.05 4.39 -1.99 -0.30 114.58 118.47 1fx2 h GLU 1010Ca 0.30 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1fx2 h GLU 1010Cb 1.01 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1fx2 h GLU 1010CO -0.04 0.95 -0.02 0.28 -1.16 0.00 0.00 179.01 179.03 1fx2 h VAL 1011N 0.45 1.34 -0.98 3.13 2.07 -1.53 -3.21 116.25 117.53 1fx2 h VAL 1011Ca 0.02 -1.32 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1fx2 h VAL 1011Cb 1.05 2.20 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 1fx2 h VAL 1011CO 0.10 0.33 0.63 0.22 0.02 0.00 0.00 177.57 178.87 1fx2 h TYR 1012N -0.65 1.13 0.00 1.57 3.20 -0.79 -2.67 116.97 118.76 1fx2 h TYR 1012Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fx2 h TYR 1012Cb 0.58 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1fx2 h TYR 1012CO 0.12 0.54 0.00 0.43 -1.64 0.00 0.00 178.16 177.61 1fx2 n SER 1013N -4.54 0.00 0.00 -2.11 7.64 -0.13 -0.41 113.62 114.07 1fx2 n SER 1013Ca 0.16 0.36 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1fx2 n SER 1013Cb 0.26 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1fx2 n SER 1013CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fx2 n ARG 1014N -1.44 0.05 0.00 1.43 1.74 -1.01 -4.49 116.66 112.94 1fx2 n ARG 1014Ca 0.06 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1fx2 n ARG 1014Cb 0.21 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1fx2 n ARG 1014CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1fx2 n LEU 1015N -1.57 0.00 -3.80 0.55 4.77 -0.12 -4.97 117.00 111.87 1fx2 n LEU 1015Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1fx2 n LEU 1015Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1fx2 n LEU 1015CO 0.41 0.00 -0.11 0.26 -1.33 0.00 0.00 177.39 176.61 1fx2 s TRP 1016N -2.00 -0.21 -0.30 -1.77 0.52 0.45 -4.95 118.94 110.69 1fx2 s TRP 1016Ca 0.00 0.50 -0.16 0.00 0.02 0.00 0.00 56.10 56.46 1fx2 s TRP 1016Cb 0.00 0.07 0.17 0.00 -1.15 0.00 0.00 33.47 32.56 1fx2 s TRP 1016CO 0.00 -0.15 1.09 1.21 0.02 0.00 0.00 176.95 179.11 1fx2 s ASN 1017N -0.14 -0.39 0.14 2.95 2.47 -1.26 -4.40 114.94 114.31 1fx2 s ASN 1017Ca -0.02 0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1fx2 s ASN 1017Cb -0.02 1.36 0.00 0.00 -1.45 0.00 0.00 41.25 41.14 1fx2 s ASN 1017CO 0.01 -0.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 1fx2 n GLY 1018N 4.40 -0.79 3.74 1.21 0.00 -1.26 -4.45 105.19 108.05 1fx2 n GLY 1018Ca -0.11 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1fx2 n GLY 1018CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fx2 n LEU 1019N 0.00 4.31 -4.44 0.99 4.77 -1.26 -4.67 117.00 116.69 1fx2 n LEU 1019Ca 0.00 1.16 -0.38 0.00 -0.03 0.00 0.00 56.01 56.76 1fx2 n LEU 1019Cb 0.00 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 39.39 1fx2 n LEU 1019CO 0.00 0.08 -0.22 -0.13 -1.33 0.00 0.00 177.39 175.79 1fx2 s ARG 1020N -0.82 3.35 -0.18 3.23 0.52 -1.26 -4.94 118.95 118.86 1fx2 s ARG 1020Ca 0.62 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 1fx2 s ARG 1020Cb -0.51 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 1fx2 s ARG 1020CO 0.52 -0.40 0.01 0.08 0.02 0.00 0.00 175.30 175.53 1fx2 s VAL 1021N 1.61 4.27 0.11 3.52 1.01 -1.26 -0.39 120.40 129.27 1fx2 s VAL 1021Ca 0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1fx2 s VAL 1021Cb -0.17 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1fx2 s VAL 1021CO 0.06 0.47 0.50 0.00 0.00 0.00 0.00 175.10 176.12 1fx2 s ARG 1022N 0.50 3.94 -0.01 2.72 1.70 0.45 -0.64 118.95 127.62 1fx2 s ARG 1022Ca -0.00 0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.70 1fx2 s ARG 1022Cb -0.14 -3.01 -0.00 0.00 -0.57 0.00 0.00 34.95 31.23 1fx2 s ARG 1022CO 0.02 0.54 -0.04 0.08 -1.08 0.00 0.00 175.30 174.82 1fx2 s VAL 1023N -1.37 0.32 0.04 4.99 1.01 -0.72 -1.75 120.40 122.93 1fx2 s VAL 1023Ca 0.34 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1fx2 s VAL 1023Cb -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1fx2 s VAL 1023CO 0.18 0.10 -0.17 -0.83 0.00 0.00 0.00 175.10 174.38 1fx2 s GLY 1024N -0.02 0.94 -0.04 4.51 0.00 -0.45 -0.98 107.32 111.28 1fx2 s GLY 1024Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1fx2 s GLY 1024CO -0.00 -0.90 -0.03 -0.42 0.00 0.00 0.00 173.10 171.75 1fx2 s ILE 1025N -0.86 0.43 0.05 0.90 1.01 0.15 -1.39 121.20 121.48 1fx2 s ILE 1025Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1fx2 s ILE 1025Cb -0.08 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 1fx2 s ILE 1025CO 0.02 0.20 0.04 -2.28 0.00 0.00 0.00 174.94 172.91 1fx2 s HIS 1026N 0.95 0.35 -0.06 3.97 2.46 -0.75 -1.68 115.29 120.53 1fx2 s HIS 1026Ca -0.11 -0.79 0.02 0.00 0.47 0.00 0.00 55.06 54.65 1fx2 s HIS 1026Cb -0.14 -0.25 0.01 0.00 -0.13 0.00 0.00 32.58 32.07 1fx2 s HIS 1026CO -0.00 -0.38 -0.11 0.99 -2.47 0.00 0.00 174.74 172.76 1fx2 s THR 1027N -3.33 1.04 0.01 0.89 2.01 -1.26 -0.74 115.64 114.26 1fx2 s THR 1027Ca 0.01 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 1fx2 s THR 1027Cb 0.03 -0.95 0.11 0.00 0.01 0.00 0.00 72.50 71.70 1fx2 s THR 1027CO -0.08 0.33 1.25 -0.83 -0.69 0.00 0.00 174.62 174.60 1fx2 s GLY 1028N 0.60 -0.32 0.26 4.40 0.00 -0.42 -4.53 107.32 107.32 1fx2 s GLY 1028Ca -0.12 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 1fx2 s GLY 1028CO 0.03 1.29 1.26 1.08 0.00 0.00 0.00 173.10 176.76 1fx2 s LEU 1029N -3.16 4.45 0.22 0.66 1.43 -1.26 -0.97 118.68 120.04 1fx2 s LEU 1029Ca 0.17 2.48 0.09 0.00 -1.03 0.00 0.00 54.13 55.84 1fx2 s LEU 1029Cb 0.03 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1fx2 s LEU 1029CO -0.02 -0.45 -0.17 0.00 0.23 0.00 0.00 176.35 175.94 1fx2 s ASP 1031N -3.22 6.34 -0.16 0.00 2.15 -0.92 -4.88 116.67 115.98 1fx2 s ASP 1031Ca 0.23 -0.32 -0.08 0.00 0.43 0.00 0.00 52.55 52.81 1fx2 s ASP 1031Cb -0.03 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1fx2 s ASP 1031CO 0.09 -0.84 0.12 -0.63 -0.17 0.00 0.00 175.17 173.74 1fx2 s ILE 1032N 2.97 5.36 0.04 4.11 1.01 -1.26 -0.40 121.20 133.02 1fx2 s ILE 1032Ca 0.24 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1fx2 s ILE 1032Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1fx2 s ILE 1032CO 0.20 0.52 -0.06 -0.13 0.00 0.00 0.00 174.94 175.47 1fx2 s ARG 1033N -0.28 0.50 -0.06 2.79 0.52 -0.71 -5.02 118.95 116.69 1fx2 s ARG 1033Ca 0.11 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1fx2 s ARG 1033Cb -0.12 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 1fx2 s ARG 1033CO 0.01 -0.00 -0.11 -1.58 0.02 0.00 0.00 175.30 173.64 1fx2 s HIS 1034N -1.86 2.82 0.00 -0.53 5.65 -1.26 -1.19 115.29 118.92 1fx2 s HIS 1034Ca -0.08 -0.09 0.00 0.00 0.25 0.00 0.00 55.06 55.14 1fx2 s HIS 1034Cb -0.07 -1.68 0.00 0.00 -1.18 0.00 0.00 32.58 29.65 1fx2 s HIS 1034CO -0.01 0.24 0.00 -0.40 -0.65 0.00 0.00 174.74 173.92 1fx2 n ASP 1035N 2.32 0.00 0.00 9.88 5.68 0.34 -4.91 116.55 129.85 1fx2 n ASP 1035Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1fx2 n ASP 1035Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1fx2 n ASP 1035CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1fx2 n GLU 1036N 0.00 0.00 0.00 0.11 1.02 -1.26 -2.71 120.64 117.80 1fx2 n GLU 1036Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1fx2 n GLU 1036Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1fx2 n GLU 1036CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1fx2 n VAL 1037N 0.00 0.00 0.30 2.62 0.24 -1.26 -5.02 118.33 115.21 1fx2 n VAL 1037Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.47 1fx2 n VAL 1037Cb 0.00 0.00 0.80 0.00 -1.47 0.00 0.00 33.84 33.17 1fx2 n VAL 1037CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1fx2 h THR 1038N 0.00 0.00 -0.96 3.34 1.35 -1.93 -3.46 112.91 111.25 1fx2 h THR 1038Ca 0.00 -0.22 -0.26 0.00 -0.55 0.00 0.00 66.41 65.38 1fx2 h THR 1038Cb 0.00 1.08 -0.08 0.00 -1.73 0.00 0.00 68.15 67.42 1fx2 h THR 1038CO 0.00 0.00 -0.27 2.29 -0.25 0.00 0.00 175.52 177.29 1fx2 n LYS 1039N -2.79 -0.94 -4.50 4.72 2.85 -1.26 -5.01 118.16 111.23 1fx2 n LYS 1039Ca -0.01 0.87 -0.29 0.00 -1.05 0.00 0.00 58.31 57.83 1fx2 n LYS 1039Cb 0.17 -4.97 -0.07 0.00 -0.65 0.00 0.00 35.03 29.51 1fx2 n LYS 1039CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1fx2 s GLY 1040N -2.74 2.70 0.03 2.58 0.00 -1.26 -4.79 107.32 103.83 1fx2 s GLY 1040Ca 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.47 1fx2 s GLY 1040CO 0.00 -2.09 0.14 -0.19 0.00 0.00 0.00 173.10 170.96 1fx2 s TYR 1041N -2.78 3.39 0.20 1.90 1.51 -1.26 0.13 117.35 120.44 1fx2 s TYR 1041Ca 0.23 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.54 1fx2 s TYR 1041Cb 0.03 -1.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1fx2 s TYR 1041CO 0.12 0.58 -0.00 0.34 -1.11 0.00 0.00 175.55 175.48 1fx2 s ASP 1042N -2.10 1.54 -0.03 2.29 -1.08 -0.34 -4.83 116.67 112.12 1fx2 s ASP 1042Ca 0.28 -1.19 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 1fx2 s ASP 1042Cb -0.12 0.06 0.01 0.00 -1.46 0.00 0.00 42.92 41.41 1fx2 s ASP 1042CO 0.20 -0.53 -0.06 -0.31 0.52 0.00 0.00 175.17 174.98 1fx2 s TYR 1043N -3.53 0.79 0.20 -5.34 1.51 -1.26 -1.74 117.35 107.98 1fx2 s TYR 1043Ca 0.26 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1fx2 s TYR 1043Cb 0.06 -0.62 -0.05 0.00 -0.11 0.00 0.00 41.96 41.24 1fx2 s TYR 1043CO 0.06 -0.13 -0.09 0.71 -1.11 0.00 0.00 175.55 174.99 1fx2 s TYR 1044N 0.49 1.57 0.00 2.71 1.51 0.46 -4.81 117.35 119.28 1fx2 s TYR 1044Ca -0.07 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1fx2 s TYR 1044Cb -0.11 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1fx2 s TYR 1044CO 0.00 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 1fx2 n GLY 1045N -0.36 -1.13 0.31 0.71 0.00 -1.26 -2.16 105.19 101.30 1fx2 n GLY 1045Ca -0.08 -2.11 0.02 0.00 0.00 0.00 0.00 46.02 43.85 1fx2 n GLY 1045CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fx2 h ARG 1046N 0.92 0.62 0.14 1.61 3.08 -1.99 -2.65 114.38 116.12 1fx2 h ARG 1046Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1fx2 h ARG 1046Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1fx2 h ARG 1046CO 0.00 0.47 -0.07 1.15 -1.07 0.00 0.00 179.97 180.45 1fx2 h THR 1047N 0.63 0.99 -0.03 2.04 2.02 -1.82 0.07 112.91 116.81 1fx2 h THR 1047Ca 0.16 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 1fx2 h THR 1047Cb 0.04 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1fx2 h THR 1047CO -0.03 0.14 -0.42 1.55 0.37 0.00 0.00 175.52 177.14 1fx2 h PRO 1048N -0.49 0.07 -0.35 6.66 0.13 -1.83 -1.30 132.00 134.89 1fx2 h PRO 1048Ca -0.02 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1fx2 h PRO 1048Cb 0.38 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1fx2 h PRO 1048CO 0.03 0.48 0.20 -0.97 -0.23 0.00 0.00 178.00 177.51 1fx2 h ASN 1049N 0.06 0.42 -0.46 1.44 -1.24 -1.28 0.03 115.58 114.54 1fx2 h ASN 1049Ca 0.00 -0.07 -0.13 0.00 0.71 0.00 0.00 56.30 56.82 1fx2 h ASN 1049Cb 0.77 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1fx2 h ASN 1049CO 0.06 0.36 -0.21 -0.03 -1.29 0.00 0.00 177.43 176.32 1fx2 h MET 1050N 0.44 0.96 -0.73 6.67 4.05 -0.56 -0.78 114.93 124.97 1fx2 h MET 1050Ca 0.12 -0.41 0.02 0.00 -0.28 0.00 0.00 59.70 59.15 1fx2 h MET 1050Cb 0.03 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1fx2 h MET 1050CO -0.02 1.08 0.48 0.00 0.23 0.00 0.00 176.91 178.67 1fx2 h ALA 1051N 0.85 0.94 -0.14 0.39 0.00 -0.97 -0.15 119.26 120.18 1fx2 h ALA 1051Ca 0.11 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1fx2 h ALA 1051Cb 0.78 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1fx2 h ALA 1051CO 0.06 0.31 -0.68 0.00 0.00 0.00 0.00 179.25 178.95 1fx2 h ALA 1052N 1.28 0.54 -0.25 0.00 0.00 -0.75 -1.47 119.26 118.62 1fx2 h ALA 1052Ca 0.28 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1fx2 h ALA 1052Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fx2 h ALA 1052CO -0.08 0.72 -0.31 0.00 0.00 0.00 0.00 179.25 179.58 1fx2 h ARG 1053N 0.41 0.51 -0.14 0.00 2.47 -0.99 -1.62 114.38 115.03 1fx2 h ARG 1053Ca -0.02 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1fx2 h ARG 1053Cb 1.26 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1fx2 h ARG 1053CO 0.13 0.77 0.06 1.15 0.56 0.00 0.00 179.97 182.64 1fx2 h THR 1054N 0.44 1.14 -0.73 2.04 2.02 -0.88 -2.49 112.91 114.46 1fx2 h THR 1054Ca 0.06 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1fx2 h THR 1054Cb 0.76 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1fx2 h THR 1054CO 0.06 0.12 0.48 -0.08 0.37 0.00 0.00 175.52 176.48 1fx2 h GLU 1055N 0.09 0.82 0.00 6.66 4.22 -1.09 -2.94 114.58 122.34 1fx2 h GLU 1055Ca 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1fx2 h GLU 1055Cb 0.14 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1fx2 h GLU 1055CO -0.01 0.54 -0.07 0.66 -2.18 0.00 0.00 179.01 177.96 1fx2 h SER 1056N 0.84 0.00 0.11 1.04 4.64 -0.82 -1.32 113.55 118.04 1fx2 h SER 1056Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1fx2 h SER 1056Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1fx2 h SER 1056CO -0.09 0.07 -0.26 1.33 -0.87 0.00 0.00 176.83 177.01 1fx2 n VAL 1057N -3.54 0.00 -2.49 0.95 0.24 -1.11 -4.65 118.33 107.72 1fx2 n VAL 1057Ca -0.02 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.34 61.73 1fx2 n VAL 1057Cb 0.19 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 1fx2 n VAL 1057CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fx2 s ALA 1058N -2.39 2.88 0.65 2.33 0.00 -0.50 -0.61 121.76 124.12 1fx2 s ALA 1058Ca 0.25 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 1fx2 s ALA 1058Cb 0.19 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1fx2 s ALA 1058CO 0.49 -0.34 1.03 -0.80 0.00 0.00 0.00 175.76 176.14 1fx2 s ASN 1059N -2.17 5.79 0.33 0.00 0.01 -1.26 -4.77 114.94 112.87 1fx2 s ASN 1059Ca 0.66 1.16 -0.29 0.00 -0.71 0.00 0.00 52.86 53.68 1fx2 s ASN 1059Cb -0.15 -2.11 -0.11 0.00 0.41 0.00 0.00 41.25 39.29 1fx2 s ASN 1059CO 0.22 -1.09 1.40 -0.83 -1.51 0.00 0.00 177.10 175.29 1fx2 s GLY 1060N -4.27 2.83 0.00 0.66 0.00 -1.26 -1.54 107.32 103.74 1fx2 s GLY 1060Ca 0.56 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.67 1fx2 s GLY 1060CO 0.51 2.12 0.00 0.61 0.00 0.00 0.00 173.10 176.34 1fx2 n GLY 1061N 0.98 1.79 3.61 0.20 0.00 0.19 -4.79 105.19 107.18 1fx2 n GLY 1061Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1fx2 n GLY 1061CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fx2 s GLN 1062N -0.21 2.70 -0.19 1.61 0.74 -0.59 -4.95 119.66 118.77 1fx2 s GLN 1062Ca 0.00 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.81 1fx2 s GLN 1062Cb 0.00 -2.59 0.02 0.00 1.10 0.00 0.00 33.01 31.54 1fx2 s GLN 1062CO 0.00 0.64 -0.19 0.08 -0.55 0.00 0.00 175.29 175.27 1fx2 s VAL 1063N -0.94 2.12 -0.05 1.34 1.01 -1.26 -1.75 120.40 120.87 1fx2 s VAL 1063Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1fx2 s VAL 1063Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1fx2 s VAL 1063CO 0.05 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 1fx2 s LEU 1064N 1.29 3.44 -0.00 3.92 1.43 -0.15 -0.66 118.68 127.95 1fx2 s LEU 1064Ca 0.04 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1fx2 s LEU 1064Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1fx2 s LEU 1064CO -0.12 0.34 -0.19 -0.04 0.23 0.00 0.00 176.35 176.57 1fx2 s MET 1065N -1.11 1.47 0.82 1.70 -1.94 0.61 -0.68 119.30 120.18 1fx2 s MET 1065Ca 0.15 -0.73 -0.12 0.00 -1.71 0.00 0.00 55.69 53.29 1fx2 s MET 1065Cb -0.11 -1.46 0.08 0.00 2.01 0.00 0.00 34.83 35.35 1fx2 s MET 1065CO 0.05 0.39 1.10 0.95 -0.01 0.00 0.00 175.02 177.50 1fx2 s THR 1066N -0.53 2.95 0.39 2.05 -4.23 -0.68 -0.50 115.64 115.09 1fx2 s THR 1066Ca 0.07 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 1fx2 s THR 1066Cb -0.08 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 71.00 1fx2 s THR 1066CO -0.00 -0.40 2.02 -0.74 -0.54 0.00 0.00 174.62 174.96 1fx2 h HIS 1067N -1.17 0.59 -0.74 3.99 2.76 -1.60 -1.67 115.15 117.30 1fx2 h HIS 1067Ca -0.47 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 57.77 1fx2 h HIS 1067Cb 1.27 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.97 1fx2 h HIS 1067CO 0.45 0.40 0.42 0.00 -1.30 0.00 0.00 177.93 177.89 1fx2 h ALA 1068N 1.68 1.02 -0.33 5.26 0.00 -1.89 -0.11 119.26 124.88 1fx2 h ALA 1068Ca 0.17 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1fx2 h ALA 1068Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1fx2 h ALA 1068CO -0.03 0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.14 1fx2 h ALA 1069N 1.39 0.46 -0.62 0.00 0.00 -1.59 -1.91 119.26 116.99 1fx2 h ALA 1069Ca 0.34 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1fx2 h ALA 1069Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1fx2 h ALA 1069CO -0.21 0.38 0.39 -0.92 0.00 0.00 0.00 179.25 178.89 1fx2 h TYR 1070N 0.46 0.73 -0.00 0.00 3.20 -0.83 -2.13 116.97 118.40 1fx2 h TYR 1070Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1fx2 h TYR 1070Cb 0.70 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1fx2 h TYR 1070CO 0.06 0.42 -0.05 -1.33 -1.64 0.00 0.00 178.16 175.62 1fx2 n MET 1071N -4.71 0.99 0.22 1.82 2.81 -0.10 -2.50 117.12 115.65 1fx2 n MET 1071Ca 0.06 -0.31 0.12 0.00 -1.81 0.00 0.00 57.70 55.75 1fx2 n MET 1071Cb 0.08 -1.49 0.32 0.00 -0.71 0.00 0.00 33.22 31.42 1fx2 n MET 1071CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1fx2 h SER 1072N 0.77 0.00 -4.09 7.83 0.02 -0.64 -3.45 113.55 113.99 1fx2 h SER 1072Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1fx2 h SER 1072Cb 0.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.84 1fx2 h SER 1072CO 0.00 0.11 0.38 -0.76 -1.14 0.00 0.00 176.83 175.42 1fx2 s LEU 1073N -6.32 3.81 0.85 5.07 1.43 -1.04 -4.82 118.68 117.66 1fx2 s LEU 1073Ca 0.04 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 1fx2 s LEU 1073Cb 0.07 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.84 1fx2 s LEU 1073CO 0.64 -0.77 1.10 -0.94 0.23 0.00 0.00 176.35 176.61 1fx2 s SER 1074N -2.13 3.94 0.32 2.29 1.04 -1.26 -4.82 113.70 113.09 1fx2 s SER 1074Ca 0.66 1.36 0.02 0.00 0.48 0.00 0.00 55.95 58.48 1fx2 s SER 1074Cb -0.15 -2.06 0.60 0.00 0.10 0.00 0.00 66.02 64.51 1fx2 s SER 1074CO 0.21 -2.33 1.92 0.00 0.98 0.00 0.00 173.24 174.03 1fx2 h ALA 1075N -1.34 1.58 -0.34 5.32 0.00 -1.96 -0.53 119.26 122.00 1fx2 h ALA 1075Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1fx2 h ALA 1075Cb 1.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1fx2 h ALA 1075CO 0.57 0.29 -0.39 1.49 0.00 0.00 0.00 179.25 181.21 1fx2 h GLU 1076N 0.94 0.81 -0.51 0.00 4.57 -2.00 -2.51 114.58 115.88 1fx2 h GLU 1076Ca 0.37 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1fx2 h GLU 1076Cb 0.23 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1fx2 h GLU 1076CO -0.14 1.05 0.29 -0.44 -1.18 0.00 0.00 179.01 178.59 1fx2 h ASP 1077N 0.66 0.62 0.13 1.04 3.32 -1.75 -2.38 116.42 118.06 1fx2 h ASP 1077Ca 0.06 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1fx2 h ASP 1077Cb 0.95 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1fx2 h ASP 1077CO 0.09 0.52 -0.11 0.03 -1.72 0.00 0.00 179.24 178.05 1fx2 h ARG 1078N 0.67 0.00 0.00 3.56 3.08 -0.80 -1.25 114.38 119.64 1fx2 h ARG 1078Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1fx2 h ARG 1078Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1fx2 h ARG 1078CO -0.03 0.11 0.00 0.87 -1.07 0.00 0.00 179.97 179.85 1fx2 h LYS 1079N 0.00 0.00 -0.02 0.04 1.57 -1.00 -2.96 116.57 114.21 1fx2 h LYS 1079Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fx2 h LYS 1079Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1fx2 h LYS 1079CO 0.01 0.00 -0.02 1.04 -0.57 0.00 0.00 179.45 179.91 1fx2 n GLN 1080N -2.80 1.71 -4.49 3.15 1.13 -0.47 -4.92 117.38 110.69 1fx2 n GLN 1080Ca 0.00 -1.09 -0.23 0.00 -1.94 0.00 0.00 57.00 53.74 1fx2 n GLN 1080Cb 0.23 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 29.00 1fx2 n GLN 1080CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1fx2 s ILE 1081N -2.04 1.69 -0.25 5.09 -4.36 -1.12 -5.13 121.20 115.09 1fx2 s ILE 1081Ca 0.35 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1fx2 s ILE 1081Cb 0.21 -2.68 0.06 0.00 1.25 0.00 0.00 42.46 41.30 1fx2 s ILE 1081CO 0.35 -0.15 -0.05 -0.62 0.24 0.00 0.00 174.94 174.71 1fx2 s ASP 1082N -3.53 4.02 0.21 4.36 -1.08 -1.26 -4.96 116.67 114.42 1fx2 s ASP 1082Ca 0.33 -1.30 0.10 0.00 -0.52 0.00 0.00 52.55 51.16 1fx2 s ASP 1082Cb 0.06 -1.25 -0.04 0.00 -1.46 0.00 0.00 42.92 40.22 1fx2 s ASP 1082CO 0.15 -0.25 -0.14 0.68 0.52 0.00 0.00 175.17 176.13 1fx2 s VAL 1083N 1.32 2.89 -0.15 1.11 -7.23 -1.26 -0.12 120.40 116.97 1fx2 s VAL 1083Ca -0.04 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1fx2 s VAL 1083Cb -0.19 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1fx2 s VAL 1083CO -0.07 -0.18 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.49 1fx2 s THR 1084N -1.86 1.70 0.25 5.32 2.01 0.04 -4.95 115.64 118.15 1fx2 s THR 1084Ca 0.25 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1fx2 s THR 1084Cb -0.08 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 1fx2 s THR 1084CO 0.14 0.48 1.41 0.00 -0.69 0.00 0.00 174.62 175.96 1fx2 s ALA 1085N 1.30 3.60 -0.74 7.40 0.00 -1.26 -0.36 121.76 131.70 1fx2 s ALA 1085Ca 0.02 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.36 1fx2 s ALA 1085Cb -0.13 -3.54 0.25 0.00 0.00 0.00 0.00 23.12 19.70 1fx2 s ALA 1085CO -0.09 -0.71 1.21 1.28 0.00 0.00 0.00 175.76 177.45 1fx2 n LEU 1086N 2.17 2.76 0.00 0.00 4.77 -0.23 -4.91 117.00 121.56 1fx2 n LEU 1086Ca 0.06 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1fx2 n LEU 1086Cb 0.41 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1fx2 n LEU 1086CO 0.60 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 1fx2 n GLY 1087N 0.30 0.95 2.93 -0.72 0.00 -1.25 -4.80 105.19 102.60 1fx2 n GLY 1087Ca 0.09 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1fx2 n GLY 1087CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fx2 s ASP 1088N -4.00 0.30 -0.10 1.61 1.01 -1.26 -2.12 116.67 112.11 1fx2 s ASP 1088Ca 0.00 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1fx2 s ASP 1088Cb 0.00 -0.01 0.01 0.00 1.01 0.00 0.00 42.92 43.93 1fx2 s ASP 1088CO 0.00 -0.02 -0.16 -0.69 0.21 0.00 0.00 175.17 174.51 1fx2 s VAL 1089N -0.30 1.53 -0.08 -1.27 1.01 0.64 -4.83 120.40 117.10 1fx2 s VAL 1089Ca -0.02 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1fx2 s VAL 1089Cb -0.02 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1fx2 s VAL 1089CO -0.00 0.45 1.17 0.00 0.00 0.00 0.00 175.10 176.72 1fx2 s ALA 1090N 0.88 3.50 -0.10 5.51 0.00 -1.26 -0.54 121.76 129.74 1fx2 s ALA 1090Ca -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1fx2 s ALA 1090Cb -0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1fx2 s ALA 1090CO 0.00 -0.78 -0.06 -0.51 0.00 0.00 0.00 175.76 174.41 1fx2 s LEU 1091N 2.30 3.15 0.28 0.00 1.43 -1.26 -4.99 118.68 119.59 1fx2 s LEU 1091Ca 0.54 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 1fx2 s LEU 1091Cb -0.23 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 1fx2 s LEU 1091CO 0.20 0.28 1.62 -0.13 0.23 0.00 0.00 176.35 178.55 1fx2 s ARG 1092N -0.31 4.12 0.00 1.70 1.81 -1.26 -1.84 118.95 123.17 1fx2 s ARG 1092Ca 0.04 2.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.64 1fx2 s ARG 1092Cb -0.13 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1fx2 s ARG 1092CO 0.02 -0.66 0.00 0.41 -0.68 0.00 0.00 175.30 174.40 1fx2 n GLY 1093N 2.48 2.84 3.67 -3.53 0.00 -1.26 -4.99 105.19 104.40 1fx2 n GLY 1093Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1fx2 n GLY 1093CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fx2 s VAL 1094N -1.63 5.24 0.12 1.61 1.01 -0.77 -5.01 120.40 120.98 1fx2 s VAL 1094Ca 0.00 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1fx2 s VAL 1094Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1fx2 s VAL 1094CO 0.00 0.28 1.61 -1.28 0.00 0.00 0.00 175.10 175.71 1fx2 h SER 1095N 7.32 -0.98 -3.17 3.32 0.87 -1.94 -3.41 113.55 115.56 1fx2 h SER 1095Ca -0.37 0.13 -0.66 0.00 -1.23 0.00 0.00 61.79 59.66 1fx2 h SER 1095Cb 1.16 0.39 -0.11 0.00 -0.44 0.00 0.00 62.40 63.41 1fx2 h SER 1095CO 0.71 -0.39 -0.59 -1.81 -0.53 0.00 0.00 176.83 174.22 1fx2 s ASP 1096N -4.84 5.54 0.61 6.23 1.01 -1.26 -5.01 116.67 118.94 1fx2 s ASP 1096Ca -0.16 0.10 -0.19 0.00 0.71 0.00 0.00 52.55 53.01 1fx2 s ASP 1096Cb 0.09 -1.55 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 1fx2 s ASP 1096CO 0.65 0.27 1.31 -2.84 0.21 0.00 0.00 175.17 174.77 1fx2 s PRO 1097N -1.72 2.79 -0.15 8.23 0.02 -1.26 -4.75 135.00 138.16 1fx2 s PRO 1097Ca 0.22 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.33 1fx2 s PRO 1097Cb -0.12 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1fx2 s PRO 1097CO 0.13 -1.43 -0.06 0.08 -0.33 0.00 0.00 177.00 175.39 1fx2 s VAL 1098N -1.37 3.61 -0.19 3.83 1.01 0.30 -4.80 120.40 122.79 1fx2 s VAL 1098Ca 0.78 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1fx2 s VAL 1098Cb -0.38 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1fx2 s VAL 1098CO 0.42 0.50 1.03 -0.54 0.00 0.00 0.00 175.10 176.50 1fx2 s LYS 1099N 0.43 4.31 -0.02 2.72 3.01 -1.25 -0.26 119.74 128.68 1fx2 s LYS 1099Ca -0.06 1.36 0.00 0.00 -1.01 0.00 0.00 55.97 56.27 1fx2 s LYS 1099Cb -0.15 -3.61 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 1fx2 s LYS 1099CO 0.03 -0.53 0.03 -1.64 0.51 0.00 0.00 175.35 173.76 1fx2 s MET 1100N 2.82 2.93 -0.05 1.68 -1.94 -0.90 -1.41 119.30 122.42 1fx2 s MET 1100Ca 0.45 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.95 1fx2 s MET 1100Cb -0.16 -2.77 -0.00 0.00 2.01 0.00 0.00 34.83 33.91 1fx2 s MET 1100CO 0.10 0.65 -0.18 0.71 -0.01 0.00 0.00 175.02 176.28 1fx2 s TYR 1101N -1.09 1.87 -0.18 -0.03 1.51 0.35 -1.07 117.35 118.70 1fx2 s TYR 1101Ca 0.20 -0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 55.49 1fx2 s TYR 1101Cb -0.12 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1fx2 s TYR 1101CO 0.10 -0.20 0.57 -1.14 -1.11 0.00 0.00 175.55 173.77 1fx2 s GLN 1102N 0.08 4.24 -0.18 -0.62 0.74 0.51 -0.28 119.66 124.15 1fx2 s GLN 1102Ca -0.06 0.53 -0.25 0.00 0.05 0.00 0.00 55.36 55.63 1fx2 s GLN 1102Cb -0.13 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1fx2 s GLN 1102CO 0.03 -0.13 0.81 -1.17 -0.55 0.00 0.00 175.29 174.28 1fx2 s LEU 1103N 1.54 4.16 -0.21 3.68 2.96 0.17 -0.78 118.68 130.20 1fx2 s LEU 1103Ca 0.27 1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 55.09 1fx2 s LEU 1103Cb -0.16 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 1fx2 s LEU 1103CO 0.11 -0.40 0.62 0.20 -1.32 0.00 0.00 176.35 175.56 1fx2 s ASN 1104N 1.19 6.66 0.00 3.68 0.02 0.83 -4.40 114.94 122.91 1fx2 s ASN 1104Ca 0.37 0.80 0.00 0.00 -1.02 0.00 0.00 52.86 53.00 1fx2 s ASN 1104Cb -0.16 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1fx2 s ASN 1104CO 0.11 -0.29 0.00 0.35 0.02 0.00 0.00 177.10 177.30 1fx2 n THR 1105N 4.79 0.00 -2.07 1.60 -2.24 -1.26 -4.56 114.28 110.53 1fx2 n THR 1105Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1fx2 n THR 1105Cb 0.50 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1fx2 n THR 1105CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fx2 s VAL 1106N 0.00 3.68 0.32 2.28 1.01 -1.26 -4.96 120.40 121.47 1fx2 s VAL 1106Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 1fx2 s VAL 1106Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 1fx2 s VAL 1106CO 0.00 -0.11 1.51 -2.84 0.00 0.00 0.00 175.10 173.65 1fx2 s PRO 1107N 4.13 4.16 0.00 2.72 0.02 -1.26 -2.67 135.00 142.10 1fx2 s PRO 1107Ca 0.71 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1fx2 s PRO 1107Cb -0.30 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1fx2 s PRO 1107CO 0.28 -0.52 0.00 0.43 -0.33 0.00 0.00 177.00 176.85 1fx2 n SER 1108N 1.49 -3.30 -4.71 2.53 7.64 -1.26 -4.95 113.62 111.05 1fx2 n SER 1108Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1fx2 n SER 1108Cb 0.39 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 1fx2 n SER 1108CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1fx2 s ARG 1109N -0.75 4.47 0.28 1.43 3.52 -1.09 -5.03 118.95 121.79 1fx2 s ARG 1109Ca 0.00 1.67 0.10 0.00 -0.13 0.00 0.00 55.73 57.37 1fx2 s ARG 1109Cb 0.00 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1fx2 s ARG 1109CO 0.00 -0.19 -0.16 -0.80 -0.81 0.00 0.00 175.30 173.34 1fx2 s ASN 1110N 1.04 3.43 0.10 -2.12 0.01 -1.26 -5.03 114.94 111.10 1fx2 s ASN 1110Ca 0.57 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1fx2 s ASN 1110Cb -0.27 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.07 1fx2 s ASN 1110CO 0.29 -0.07 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.42 1fx2 s PHE 1111N -2.63 0.80 0.83 2.20 0.08 -1.26 -4.94 117.98 113.06 1fx2 s PHE 1111Ca 0.30 -1.03 -0.14 0.00 0.12 0.00 0.00 56.93 56.18 1fx2 s PHE 1111Cb -0.02 -0.49 0.20 0.00 -0.57 0.00 0.00 43.02 42.14 1fx2 s PHE 1111CO 0.14 -0.29 0.86 0.00 -0.10 0.00 0.00 175.22 175.83 1fx2 n ALA 1112N -0.02 -1.98 -0.71 5.36 0.00 -1.26 -5.01 120.51 116.89 1fx2 n ALA 1112Ca -0.11 -1.22 -0.31 0.00 0.00 0.00 0.00 53.44 51.80 1fx2 n ALA 1112Cb 0.62 -0.08 0.17 0.00 0.00 0.00 0.00 19.45 20.16 1fx2 n ALA 1112CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fx2 s ALA 1113N -3.38 1.43 0.65 0.00 0.00 -1.26 -4.94 121.76 114.27 1fx2 s ALA 1113Ca 0.53 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1fx2 s ALA 1113Cb -0.04 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1fx2 s ALA 1113CO 0.39 -2.77 1.28 -0.51 0.00 0.00 0.00 175.76 174.15 1fx2 s LEU 1114N -6.61 3.55 -1.13 0.00 1.43 -1.26 -4.87 118.68 109.79 1fx2 s LEU 1114Ca 0.67 2.58 -0.14 0.00 -1.03 0.00 0.00 54.13 56.20 1fx2 s LEU 1114Cb -0.23 -4.61 0.17 0.00 0.03 0.00 0.00 46.19 41.55 1fx2 s LEU 1114CO 0.58 -2.01 1.32 -0.13 0.23 0.00 0.00 176.35 176.34 1fx2 s ARG 1115N -3.43 3.98 0.55 1.70 0.52 0.22 -4.79 118.95 117.70 1fx2 s ARG 1115Ca 0.81 -2.46 0.31 0.00 -0.52 0.00 0.00 55.73 53.86 1fx2 s ARG 1115Cb -0.36 -4.96 1.60 0.00 0.52 0.00 0.00 34.95 31.74 1fx2 s ARG 1115CO 0.40 -1.70 2.11 -0.07 0.02 0.00 0.00 175.30 176.06 1fx2 h LEU 1116N 9.52 0.00 -8.88 2.53 3.38 -1.90 -3.34 115.31 116.62 1fx2 h LEU 1116Ca 0.26 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.64 1fx2 h LEU 1116Cb 0.91 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1fx2 h LEU 1116CO 1.18 0.08 0.64 -0.62 0.09 0.00 0.00 178.44 179.81 1fx2 s ASP 1117N -5.97 6.74 0.00 -0.43 2.15 -1.26 -4.99 116.67 112.91 1fx2 s ASP 1117Ca -0.03 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1fx2 s ASP 1117Cb 0.13 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1fx2 s ASP 1117CO 0.55 -0.83 0.00 0.54 -0.17 0.00 0.00 175.17 175.27 1fx2 n ARG 1118N 6.72 3.31 0.00 4.34 1.74 -1.25 -4.98 116.66 126.54 1fx2 n ARG 1118Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1fx2 n ARG 1118Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1fx2 n ARG 1118CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1fx2 n GLU 1119N 0.00 0.00 -3.79 5.56 0.00 -1.26 -5.12 120.64 116.03 1fx2 n GLU 1119Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1fx2 n GLU 1119Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1fx2 n GLU 1119CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1fx2 s TYR 1120N -1.18 -0.21 0.00 -1.84 1.13 -1.26 -4.61 117.35 109.39 1fx2 s TYR 1120Ca 0.00 0.45 0.00 0.00 -1.41 0.00 0.00 57.07 56.11 1fx2 s TYR 1120Cb 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1fx2 s TYR 1120CO 0.00 -0.24 0.00 0.34 -2.51 0.00 0.00 175.55 173.14 1fx2 n PHE 1121N 2.19 0.00 -1.43 -3.49 7.35 -1.26 -5.09 117.46 115.73 1fx2 n PHE 1121Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1fx2 n PHE 1121Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 1fx2 n PHE 1121CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60