#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfq s ASP 876 N 0.00 6.46 0.13 1.62 2.15 -1.26 -4.96 116.67 120.81 1dfq s ASP 876 Ca 0.00 0.59 -0.22 0.00 0.43 0.00 0.00 52.55 53.35 1dfq s ASP 876 Cb 0.00 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1dfq s ASP 876 CO 0.00 -0.03 1.68 0.40 -0.17 0.00 0.00 175.17 177.05 1dfq h ILE 877 N 1.76 0.69 -0.66 4.11 2.04 -2.01 0.32 117.51 123.76 1dfq h ILE 877 Ca -0.47 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1dfq h ILE 877 Cb 1.18 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1dfq h ILE 877 CO 0.70 0.00 0.44 0.44 0.00 0.00 0.00 178.15 179.73 1dfq h ASP 878 N -0.13 0.56 0.66 1.72 3.32 -1.98 0.29 116.42 120.86 1dfq h ASP 878 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1dfq h ASP 878 Cb 0.25 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.69 1dfq h ASP 878 CO -0.20 0.36 -0.32 0.58 -1.72 0.00 0.00 179.24 177.94 1dfq h VAL 879 N 0.63 0.10 -0.10 -1.35 2.07 -1.76 -2.29 116.25 113.56 1dfq h VAL 879 Ca 0.29 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1dfq h VAL 879 Cb 0.32 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1dfq h VAL 879 CO -0.09 0.01 -0.51 0.40 0.02 0.00 0.00 177.57 177.40 1dfq h ILE 880 N -1.18 0.04 -0.61 4.57 2.04 0.91 0.29 117.51 123.56 1dfq h ILE 880 Ca -0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.85 1dfq h ILE 880 Cb 0.70 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1dfq h ILE 880 CO 0.15 0.00 -0.48 -0.07 0.00 0.00 0.00 178.15 177.75 1dfq h LEU 881 N -0.59 -1.66 0.00 1.44 3.38 -0.57 -1.85 115.31 115.46 1dfq h LEU 881 Ca 0.04 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1dfq h LEU 881 Cb 0.68 0.74 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1dfq h LEU 881 CO -0.41 -0.34 0.00 1.17 0.09 0.00 0.00 178.44 178.96 1dfq n LYS 882 N -5.38 0.00 0.15 1.13 4.81 -0.04 -2.26 118.16 116.57 1dfq n LYS 882 Ca 0.01 0.74 0.08 0.00 -0.87 0.00 0.00 58.31 58.27 1dfq n LYS 882 Cb 0.34 -1.44 0.44 0.00 0.02 0.00 0.00 35.03 34.39 1dfq n LYS 882 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1dfq n LYS 883 N -2.38 0.11 -0.22 1.64 5.02 -0.43 0.15 118.16 122.05 1dfq n LYS 883 Ca 0.00 0.59 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1dfq n LYS 883 Cb 0.00 -2.01 0.22 0.00 -0.02 0.00 0.00 35.03 33.22 1dfq n LYS 883 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1dfq n SER 884 N -2.11 3.38 -4.70 4.39 3.41 -0.72 -4.94 113.62 112.34 1dfq n SER 884 Ca -0.01 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.23 1dfq n SER 884 Cb 0.18 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1dfq n SER 884 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1dfq s THR 885 N -1.22 4.83 -0.11 6.66 2.01 0.12 -0.46 115.64 127.47 1dfq s THR 885 Ca 0.37 2.03 0.01 0.00 0.31 0.00 0.00 61.69 64.41 1dfq s THR 885 Cb 0.20 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1dfq s THR 885 CO 0.28 0.08 0.45 2.30 -0.69 0.00 0.00 174.62 177.05 1dfq n ILE 886 N 4.23 0.00 -3.62 1.82 -5.35 0.51 -4.90 119.36 112.04 1dfq n ILE 886 Ca 0.07 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 62.03 1dfq n ILE 886 Cb 0.50 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 1dfq n ILE 886 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1dfq s LEU 887 N -0.39 -0.56 -0.20 7.28 2.96 -1.13 -4.79 118.68 121.85 1dfq s LEU 887 Ca 0.01 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1dfq s LEU 887 Cb 0.01 1.79 0.10 0.00 0.50 0.00 0.00 46.19 48.60 1dfq s LEU 887 CO 0.02 -0.14 0.33 0.21 -1.32 0.00 0.00 176.35 175.45 1dfq s ASN 888 N 1.48 0.40 -0.61 3.68 3.84 -1.26 -1.10 114.94 121.37 1dfq s ASN 888 Ca -0.09 0.35 -0.20 0.00 0.21 0.00 0.00 52.86 53.14 1dfq s ASN 888 Cb -0.04 0.93 0.10 0.00 -0.55 0.00 0.00 41.25 41.68 1dfq s ASN 888 CO -0.16 -0.28 0.77 -0.76 -2.79 0.00 0.00 177.10 173.88 1dfq s LEU 889 N 2.49 5.15 -0.05 3.21 1.43 -0.44 -0.52 118.68 129.94 1dfq s LEU 889 Ca 0.07 -1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 51.77 1dfq s LEU 889 Cb -0.14 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1dfq s LEU 889 CO -0.13 -1.19 0.22 -0.62 0.23 0.00 0.00 176.35 174.86 1dfq s ASP 890 N 3.64 6.48 -0.41 2.29 2.15 0.10 -4.20 116.67 126.72 1dfq s ASP 890 Ca 0.14 0.55 -0.06 0.00 0.43 0.00 0.00 52.55 53.61 1dfq s ASP 890 Cb -0.22 -2.09 0.09 0.00 -0.30 0.00 0.00 42.92 40.40 1dfq s ASP 890 CO 0.07 0.34 0.23 -0.63 -0.17 0.00 0.00 175.17 175.01 1dfq s ILE 891 N -1.15 3.81 -0.10 4.11 1.01 -1.26 -1.21 121.20 126.40 1dfq s ILE 891 Ca 0.21 -1.68 0.01 0.00 0.00 0.00 0.00 60.65 59.19 1dfq s ILE 891 Cb -0.13 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1dfq s ILE 891 CO 0.10 -0.58 -0.11 0.20 0.00 0.00 0.00 174.94 174.56 1dfq s ASN 892 N 2.05 2.17 -0.57 3.58 0.01 -1.08 -4.77 114.94 116.33 1dfq s ASN 892 Ca 0.04 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1dfq s ASN 892 Cb -0.23 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.50 1dfq s ASN 892 CO -0.01 -0.04 0.00 0.59 -1.51 0.00 0.00 177.10 176.13 1dfq n ASN 893 N 4.44 -2.69 -1.92 -1.22 3.02 -1.26 -3.00 115.26 112.64 1dfq n ASN 893 Ca -0.17 0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 1dfq n ASN 893 Cb 0.51 -1.87 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 1dfq n ASN 893 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dfq n ASP 894 N 0.79 -5.20 -3.96 6.41 8.00 -1.26 -4.99 116.55 116.34 1dfq n ASP 894 Ca -0.08 0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.27 1dfq n ASP 894 Cb 0.51 -4.27 -0.16 0.00 -0.02 0.00 0.00 41.12 37.18 1dfq n ASP 894 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1dfq s ILE 895 N -2.85 0.80 -0.21 0.53 -1.09 -1.16 -5.13 121.20 112.09 1dfq s ILE 895 Ca 0.00 -0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 57.89 1dfq s ILE 895 Cb 0.00 -0.77 -0.01 0.00 -1.58 0.00 0.00 42.46 40.10 1dfq s ILE 895 CO 0.00 0.28 0.78 -0.63 -1.23 0.00 0.00 174.94 174.14 1dfq s ILE 896 N 0.71 4.89 0.35 2.92 1.01 -1.26 -2.62 121.20 127.20 1dfq s ILE 896 Ca -0.12 1.48 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1dfq s ILE 896 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1dfq s ILE 896 CO 0.02 -0.00 0.23 -0.94 0.00 0.00 0.00 174.94 174.25 1dfq s SER 897 N 1.27 1.93 -0.51 3.58 1.04 -0.35 -4.76 113.70 115.91 1dfq s SER 897 Ca 0.34 -1.73 -0.15 0.00 0.48 0.00 0.00 55.95 54.89 1dfq s SER 897 Cb -0.16 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.62 1dfq s SER 897 CO 0.09 -1.02 0.44 -0.62 0.98 0.00 0.00 173.24 173.11 1dfq s ASP 898 N -3.43 6.10 0.00 7.02 2.15 -1.25 -0.72 116.67 126.54 1dfq s ASP 898 Ca 0.36 -1.64 0.17 0.00 0.43 0.00 0.00 52.55 51.87 1dfq s ASP 898 Cb 0.02 -2.17 0.60 0.00 -0.30 0.00 0.00 42.92 41.07 1dfq s ASP 898 CO 0.23 -0.76 1.45 2.30 -0.17 0.00 0.00 175.17 178.22 1dfq n ILE 899 N 5.19 0.30 0.34 4.11 -5.35 0.32 -4.37 119.36 119.89 1dfq n ILE 899 Ca -0.13 -0.39 0.23 0.00 -0.27 0.00 0.00 62.75 62.19 1dfq n ILE 899 Cb 0.41 0.32 1.22 0.00 -1.74 0.00 0.00 39.64 39.84 1dfq n ILE 899 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1dfq h SER 900 N 2.14 0.00 0.00 7.28 4.64 -1.90 -3.45 113.55 122.25 1dfq h SER 900 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dfq h SER 900 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1dfq h SER 900 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1dfq n GLY 901 N -1.09 2.58 0.19 -0.77 0.00 -1.26 -4.85 105.19 99.99 1dfq n GLY 901 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1dfq n GLY 901 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1dfq h PHE 902 N 0.00 0.00 -4.86 1.61 0.04 -1.86 -3.48 116.94 108.39 1dfq h PHE 902 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1dfq h PHE 902 Cb 0.00 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.26 1dfq h PHE 902 CO 0.00 0.21 -0.48 0.09 -0.60 0.00 0.00 178.31 177.53 1dfq n ASN 903 N -3.16 -5.80 -4.77 2.17 3.02 -1.26 -4.85 115.26 100.61 1dfq n ASN 903 Ca 0.03 -0.41 -0.39 0.00 -0.03 0.00 0.00 54.58 53.78 1dfq n ASN 903 Cb 0.61 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 35.56 1dfq n ASN 903 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1dfq s SER 904 N -3.15 7.18 -0.27 6.41 0.01 -1.26 -4.72 113.70 117.90 1dfq s SER 904 Ca 0.26 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.63 1dfq s SER 904 Cb -0.03 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1dfq s SER 904 CO 0.57 0.14 1.36 -0.94 0.41 0.00 0.00 173.24 174.78 1dfq s SER 905 N -0.62 6.65 -0.11 2.44 1.04 -1.18 -4.22 113.70 117.70 1dfq s SER 905 Ca 0.34 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 1dfq s SER 905 Cb -0.21 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1dfq s SER 905 CO 0.22 -1.07 0.13 -0.69 0.98 0.00 0.00 173.24 172.80 1dfq s VAL 906 N 4.42 5.39 -0.35 5.02 1.01 -1.26 -1.17 120.40 133.45 1dfq s VAL 906 Ca 0.59 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1dfq s VAL 906 Cb -0.19 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 32.95 1dfq s VAL 906 CO 0.23 0.61 0.13 -0.63 0.00 0.00 0.00 175.10 175.44 1dfq s ILE 907 N -1.03 1.19 -0.15 2.22 -1.09 -0.47 -5.00 121.20 116.87 1dfq s ILE 907 Ca 0.15 -1.84 -0.25 0.00 -2.23 0.00 0.00 60.65 56.49 1dfq s ILE 907 Cb -0.12 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1dfq s ILE 907 CO 0.04 -0.73 0.81 -0.89 -1.23 0.00 0.00 174.94 172.94 1dfq s THR 908 N 1.18 4.91 0.64 2.92 2.01 -1.26 -2.51 115.64 123.52 1dfq s THR 908 Ca 0.12 1.60 -0.11 0.00 0.31 0.00 0.00 61.69 63.61 1dfq s THR 908 Cb -0.20 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1dfq s THR 908 CO -0.16 0.06 1.04 -0.31 -0.69 0.00 0.00 174.62 174.57 1dfq s TYR 909 N 1.92 3.57 0.51 4.92 1.51 -0.81 -4.94 117.35 124.03 1dfq s TYR 909 Ca 0.38 1.25 0.39 0.00 -1.01 0.00 0.00 57.07 58.08 1dfq s TYR 909 Cb -0.17 -2.78 1.56 0.00 -0.11 0.00 0.00 41.96 40.46 1dfq s TYR 909 CO 0.14 -0.78 1.66 -1.00 -1.11 0.00 0.00 175.55 174.45 1dfq h PRO 910 N -0.38 0.05 -0.31 -1.71 0.13 -1.89 -2.64 132.00 125.25 1dfq h PRO 910 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1dfq h PRO 910 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dfq h PRO 910 CO 0.62 0.03 0.00 -3.47 -0.23 0.00 0.00 178.00 174.96 1dfq n ASP 911 N -4.28 3.30 -4.65 1.44 2.03 -0.88 -4.90 116.55 108.61 1dfq n ASP 911 Ca 0.36 -2.40 -0.43 0.00 0.52 0.00 0.00 54.79 52.85 1dfq n ASP 911 Cb 1.57 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 41.60 1dfq n ASP 911 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfq s ALA 912 N -1.72 3.58 0.69 -1.67 0.00 -1.00 -4.33 121.76 117.31 1dfq s ALA 912 Ca 0.30 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1dfq s ALA 912 Cb 0.21 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1dfq s ALA 912 CO 0.13 -1.40 0.98 -0.65 0.00 0.00 0.00 175.76 174.82 1dfq s GLN 913 N 3.92 2.21 -0.12 0.00 -0.21 0.69 -4.88 119.66 121.27 1dfq s GLN 913 Ca 0.65 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.68 1dfq s GLN 913 Cb -0.27 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.55 1dfq s GLN 913 CO 0.23 -1.19 -0.13 -0.51 -2.12 0.00 0.00 175.29 171.58 1dfq s LEU 914 N -5.18 1.56 0.00 2.90 1.43 -1.26 -2.62 118.68 115.50 1dfq s LEU 914 Ca 0.60 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1dfq s LEU 914 Cb -0.10 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1dfq s LEU 914 CO 0.44 -0.05 0.09 1.33 0.23 0.00 0.00 176.35 178.39 1dfq n VAL 915 N 4.60 0.00 -1.77 -1.59 0.24 -0.17 -4.90 118.33 114.73 1dfq n VAL 915 Ca -0.17 -1.41 -0.40 0.00 -2.04 0.00 0.00 64.34 60.33 1dfq n VAL 915 Cb 0.50 0.52 0.02 0.00 -1.47 0.00 0.00 33.84 33.41 1dfq n VAL 915 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1dfq n PRO 916 N -0.53 2.30 -1.42 7.34 -0.02 -1.26 0.64 135.00 142.04 1dfq n PRO 916 Ca -0.03 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1dfq n PRO 916 Cb 0.36 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1dfq n PRO 916 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dfq n GLY 917 N 0.56 4.91 0.08 -1.23 0.00 0.13 -4.44 105.19 105.21 1dfq n GLY 917 Ca 0.05 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1dfq n GLY 917 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1dfq h ILE 918 N 0.71 0.98 -2.60 -0.61 6.09 -1.89 -3.40 117.51 116.78 1dfq h ILE 918 Ca 0.00 -1.60 -0.60 0.00 -1.37 0.00 0.00 64.86 61.29 1dfq h ILE 918 Cb 0.00 1.80 -0.39 0.00 0.47 0.00 0.00 36.82 38.70 1dfq h ILE 918 CO 0.00 0.31 -0.85 0.21 -3.07 0.00 0.00 178.15 174.75 1dfq s ASN 919 N -5.81 2.51 0.00 2.19 2.47 -1.26 -4.95 114.94 110.09 1dfq s ASN 919 Ca -0.11 -3.15 0.00 0.00 0.42 0.00 0.00 52.86 50.01 1dfq s ASN 919 Cb -0.01 -0.76 0.00 0.00 -1.45 0.00 0.00 41.25 39.03 1dfq s ASN 919 CO 0.41 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.24 1dfq n GLY 920 N 2.78 0.31 3.85 1.21 0.00 -1.26 -5.04 105.19 107.04 1dfq n GLY 920 Ca 0.24 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1dfq n GLY 920 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfq s LYS 921 N -0.61 2.97 0.15 1.61 1.02 -1.26 0.20 119.74 123.82 1dfq s LYS 921 Ca 0.00 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 54.95 1dfq s LYS 921 Cb 0.00 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1dfq s LYS 921 CO 0.00 0.36 0.01 0.00 -0.92 0.00 0.00 175.35 174.80 1dfq s ALA 922 N -2.14 1.13 0.09 5.17 0.00 0.21 -4.64 121.76 121.57 1dfq s ALA 922 Ca 0.34 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 1dfq s ALA 922 Cb -0.08 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.56 1dfq s ALA 922 CO 0.26 -0.36 0.76 0.42 0.00 0.00 0.00 175.76 176.84 1dfq s ILE 923 N -3.78 4.61 -0.22 0.00 1.01 -0.21 -1.00 121.20 121.61 1dfq s ILE 923 Ca 0.22 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1dfq s ILE 923 Cb 0.06 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1dfq s ILE 923 CO 0.02 0.42 -0.04 -2.28 0.00 0.00 0.00 174.94 173.06 1dfq s HIS 924 N -0.44 2.15 -0.17 3.97 2.46 -1.08 0.01 115.29 122.19 1dfq s HIS 924 Ca 0.37 -1.58 -0.07 0.00 0.47 0.00 0.00 55.06 54.25 1dfq s HIS 924 Cb -0.21 -1.48 -0.04 0.00 -0.13 0.00 0.00 32.58 30.71 1dfq s HIS 924 CO 0.24 -0.74 0.07 -0.51 -2.47 0.00 0.00 174.74 171.33 1dfq s LEU 925 N 1.48 3.91 0.57 8.88 1.43 -0.48 -0.22 118.68 134.24 1dfq s LEU 925 Ca -0.05 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1dfq s LEU 925 Cb -0.18 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.12 1dfq s LEU 925 CO -0.07 0.22 0.56 0.68 0.23 0.00 0.00 176.35 177.97 1dfq s VAL 926 N 0.09 1.76 -1.11 -1.59 -7.23 -1.26 -2.35 120.40 108.71 1dfq s VAL 926 Ca 0.06 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.77 1dfq s VAL 926 Cb -0.12 -2.07 0.18 0.00 0.56 0.00 0.00 36.38 34.93 1dfq s VAL 926 CO 0.00 0.00 1.29 0.21 -0.31 0.00 0.00 175.10 176.29 1dfq s ASN 927 N -4.44 6.98 -0.07 4.85 2.47 -1.21 -4.65 114.94 118.87 1dfq s ASN 927 Ca 0.44 -2.82 -0.30 0.00 0.42 0.00 0.00 52.86 50.60 1dfq s ASN 927 Cb -0.03 -2.37 0.11 0.00 -1.45 0.00 0.00 41.25 37.51 1dfq s ASN 927 CO 0.28 -0.76 0.95 0.54 -3.72 0.00 0.00 177.10 174.38 1dfq s ASN 928 N 2.82 -0.34 0.56 -4.21 2.20 -1.26 -4.95 114.94 109.75 1dfq s ASN 928 Ca 0.38 0.11 0.23 0.00 -0.94 0.00 0.00 52.86 52.64 1dfq s ASN 928 Cb -0.04 0.34 1.55 0.00 -2.00 0.00 0.00 41.25 41.10 1dfq s ASN 928 CO -0.04 -0.51 2.20 -0.33 -2.94 0.00 0.00 177.10 175.49 1dfq h GLU 929 N 2.15 0.00 0.00 3.55 4.39 -1.94 -1.78 114.58 120.95 1dfq h GLU 929 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1dfq h GLU 929 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1dfq h GLU 929 CO 0.30 0.00 -0.68 0.66 -1.16 0.00 0.00 179.01 178.13 1dfq h SER 930 N 0.00 0.00 -3.25 1.42 4.64 -1.96 -3.44 113.55 110.97 1dfq h SER 930 Ca -0.00 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.67 1dfq h SER 930 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1dfq h SER 930 CO 0.00 0.04 1.07 -0.55 -0.87 0.00 0.00 176.83 176.52 1dfq s SER 931 N -5.02 6.35 -0.27 4.97 0.15 -0.67 -2.06 113.70 117.15 1dfq s SER 931 Ca 0.04 0.88 -0.29 0.00 0.70 0.00 0.00 55.95 57.28 1dfq s SER 931 Cb 0.10 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.06 1dfq s SER 931 CO 0.74 -1.41 1.32 -0.70 1.20 0.00 0.00 173.24 174.39 1dfq s GLU 932 N 4.89 0.14 -0.07 5.44 2.12 -1.26 -4.69 118.70 125.26 1dfq s GLU 932 Ca 0.61 0.05 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1dfq s GLU 932 Cb -0.14 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.33 1dfq s GLU 932 CO 0.32 -0.04 -0.12 0.08 -0.54 0.00 0.00 175.26 174.96 1dfq s VAL 933 N -0.83 1.13 -0.04 3.70 1.01 -0.52 -1.92 120.40 122.92 1dfq s VAL 933 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1dfq s VAL 933 Cb -0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1dfq s VAL 933 CO -0.08 0.36 -0.25 -0.63 0.00 0.00 0.00 175.10 174.50 1dfq s ILE 934 N 0.84 2.13 -0.16 2.22 1.01 -1.04 -0.89 121.20 125.30 1dfq s ILE 934 Ca -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1dfq s ILE 934 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1dfq s ILE 934 CO 0.02 0.57 -0.03 -0.69 0.00 0.00 0.00 174.94 174.81 1dfq s VAL 935 N -0.38 3.91 -0.32 2.92 1.01 0.73 -1.37 120.40 126.91 1dfq s VAL 935 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1dfq s VAL 935 Cb -0.12 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1dfq s VAL 935 CO 0.02 0.49 0.17 -1.00 0.00 0.00 0.00 175.10 174.78 1dfq s HIS 936 N 0.40 3.19 0.29 5.22 0.09 -0.32 -1.25 115.29 122.92 1dfq s HIS 936 Ca -0.04 -0.49 -0.27 0.00 -0.00 0.00 0.00 55.06 54.26 1dfq s HIS 936 Cb -0.14 -2.38 -0.15 0.00 -0.00 0.00 0.00 32.58 29.91 1dfq s HIS 936 CO 0.03 -0.44 0.77 1.63 -0.00 0.00 0.00 174.74 176.73 1dfq n LYS 937 N 5.01 0.79 -1.28 1.40 4.01 -0.39 -3.10 118.16 124.60 1dfq n LYS 937 Ca -0.14 0.28 -0.30 0.00 -0.51 0.00 0.00 58.31 57.64 1dfq n LYS 937 Cb 0.49 -1.53 0.24 0.00 -0.51 0.00 0.00 35.03 33.73 1dfq n LYS 937 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1dfq s ALA 938 N -1.13 0.94 0.03 7.82 0.00 -1.26 -4.86 121.76 123.30 1dfq s ALA 938 Ca 0.61 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1dfq s ALA 938 Cb -0.75 -2.81 -0.17 0.00 0.00 0.00 0.00 23.12 19.39 1dfq s ALA 938 CO 0.58 -3.45 1.30 0.52 0.00 0.00 0.00 175.76 174.71 1dfq h MET 939 N -2.48 -0.87 -1.35 0.00 2.86 -1.92 -3.19 114.93 107.97 1dfq h MET 939 Ca -0.43 0.06 0.39 0.00 -2.06 0.00 0.00 59.70 57.66 1dfq h MET 939 Cb 1.27 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 33.07 1dfq h MET 939 CO 0.30 -0.55 0.97 -0.44 1.06 0.00 0.00 176.91 178.25 1dfq h ASP 940 N -1.11 0.02 -0.11 1.22 3.32 -1.95 -2.20 116.42 115.62 1dfq h ASP 940 Ca -0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1dfq h ASP 940 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1dfq h ASP 940 CO 0.15 -0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.97 1dfq n ILE 941 N -4.15 0.18 -0.22 0.35 -5.35 -1.23 -4.81 119.36 104.12 1dfq n ILE 941 Ca 0.30 -0.59 -0.04 0.00 -0.27 0.00 0.00 62.75 62.14 1dfq n ILE 941 Cb 1.40 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 40.45 1dfq n ILE 941 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1dfq n GLU 942 N 0.91 -0.20 -1.58 6.28 1.02 -0.83 -2.30 120.64 123.94 1dfq n GLU 942 Ca 0.11 0.82 -0.15 0.00 -0.02 0.00 0.00 57.16 57.92 1dfq n GLU 942 Cb 0.42 -1.22 0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1dfq n GLU 942 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dfq n TYR 943 N -4.72 1.95 0.60 -0.32 0.53 -1.26 -4.81 117.16 109.13 1dfq n TYR 943 Ca 0.03 -2.02 0.12 0.00 -1.02 0.00 0.00 57.90 55.01 1dfq n TYR 943 Cb 0.17 -0.34 0.45 0.00 -1.03 0.00 0.00 39.34 38.59 1dfq n TYR 943 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1dfq n ASN 944 N -0.84 0.58 -0.98 7.72 3.02 -0.97 -2.97 115.26 120.82 1dfq n ASN 944 Ca 0.37 0.59 0.10 0.00 -0.03 0.00 0.00 54.58 55.61 1dfq n ASN 944 Cb 0.89 -0.73 0.18 0.00 -0.61 0.00 0.00 39.78 39.51 1dfq n ASN 944 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1dfq n ASP 945 N -2.08 3.19 0.28 6.41 5.75 -1.26 -4.05 116.55 124.79 1dfq n ASP 945 Ca 0.05 -1.92 -0.16 0.00 -0.01 0.00 0.00 54.79 52.74 1dfq n ASP 945 Cb 0.33 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 1dfq n ASP 945 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1dfq h MET 946 N 3.79 -0.89 0.00 0.11 4.05 -1.72 -3.40 114.93 116.87 1dfq h MET 946 Ca 0.00 0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1dfq h MET 946 Cb 0.88 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 1dfq h MET 946 CO 0.00 -0.59 -1.15 1.19 0.23 0.00 0.00 176.91 176.59 1dfq n PHE 947 N -5.15 0.00 -0.76 1.39 3.72 -1.26 -1.68 117.46 113.72 1dfq n PHE 947 Ca -0.11 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.99 1dfq n PHE 947 Cb 0.42 -0.10 0.17 0.00 -0.94 0.00 0.00 39.48 39.03 1dfq n PHE 947 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1dfq s ASN 948 N -4.26 2.71 0.54 4.37 -0.87 -1.26 -4.74 114.94 111.43 1dfq s ASN 948 Ca -0.04 1.96 -0.20 0.00 -1.57 0.00 0.00 52.86 53.02 1dfq s ASN 948 Cb 0.01 -2.48 -0.06 0.00 -0.02 0.00 0.00 41.25 38.70 1dfq s ASN 948 CO 0.06 -3.20 1.14 0.20 -2.57 0.00 0.00 177.10 172.73 1dfq s ASN 949 N -2.77 5.69 0.03 -1.22 0.02 -1.26 -4.61 114.94 110.82 1dfq s ASN 949 Ca 0.66 2.20 -0.26 0.00 -1.02 0.00 0.00 52.86 54.45 1dfq s ASN 949 Cb -0.22 -2.58 0.06 0.00 0.02 0.00 0.00 41.25 38.53 1dfq s ASN 949 CO 0.59 -1.24 0.59 0.72 0.02 0.00 0.00 177.10 177.78 1dfq s PHE 950 N -1.74 -0.53 0.10 2.20 -0.71 -1.17 -3.44 117.98 112.68 1dfq s PHE 950 Ca 0.73 0.69 0.09 0.00 -1.04 0.00 0.00 56.93 57.41 1dfq s PHE 950 Cb -0.25 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 1dfq s PHE 950 CO 0.28 -0.67 -0.22 0.99 -1.34 0.00 0.00 175.22 174.26 1dfq s THR 951 N -2.20 2.55 -0.06 -4.49 2.01 -0.60 -0.31 115.64 112.53 1dfq s THR 951 Ca -0.06 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 60.46 1dfq s THR 951 Cb -0.01 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1dfq s THR 951 CO 0.01 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.28 1dfq s VAL 952 N -1.03 2.98 0.01 3.82 1.01 -0.58 -1.74 120.40 124.88 1dfq s VAL 952 Ca 0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1dfq s VAL 952 Cb -0.10 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1dfq s VAL 952 CO 0.07 0.58 0.09 -0.94 0.00 0.00 0.00 175.10 174.90 1dfq s SER 953 N -0.49 0.08 -0.14 3.32 1.04 0.39 -1.10 113.70 116.80 1dfq s SER 953 Ca 0.06 -0.28 -0.32 0.00 0.48 0.00 0.00 55.95 55.90 1dfq s SER 953 Cb -0.12 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.31 1dfq s SER 953 CO 0.02 -0.35 1.09 0.72 0.98 0.00 0.00 173.24 175.70 1dfq s PHE 954 N -1.39 -0.23 0.17 5.02 -0.71 -0.77 -0.34 117.98 119.72 1dfq s PHE 954 Ca -0.15 0.24 -0.15 0.00 -1.04 0.00 0.00 56.93 55.82 1dfq s PHE 954 Cb -0.08 0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 42.16 1dfq s PHE 954 CO 0.01 -0.31 0.59 -1.58 -1.34 0.00 0.00 175.22 172.59 1dfq s TRP 955 N -2.16 3.60 0.05 3.49 0.52 0.12 0.01 118.94 124.57 1dfq s TRP 955 Ca 0.06 1.12 0.04 0.00 0.02 0.00 0.00 56.10 57.34 1dfq s TRP 955 Cb -0.01 -2.42 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 1dfq s TRP 955 CO -0.05 0.40 -0.11 -1.17 0.02 0.00 0.00 176.95 176.04 1dfq s LEU 956 N -2.01 2.23 -0.04 2.99 2.96 0.22 -1.22 118.68 123.80 1dfq s LEU 956 Ca 0.39 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1dfq s LEU 956 Cb -0.15 -0.40 0.03 0.00 0.50 0.00 0.00 46.19 46.18 1dfq s LEU 956 CO 0.19 -0.08 0.08 -0.60 -1.32 0.00 0.00 176.35 174.62 1dfq s ARG 957 N -1.43 -0.01 -0.12 1.98 3.52 0.20 -0.10 118.95 123.01 1dfq s ARG 957 Ca -0.04 0.31 -0.05 0.00 -0.13 0.00 0.00 55.73 55.83 1dfq s ARG 957 Cb -0.09 -0.29 0.06 0.00 -1.56 0.00 0.00 34.95 33.07 1dfq s ARG 957 CO 0.01 -0.22 0.25 0.08 -0.81 0.00 0.00 175.30 174.61 1dfq s VAL 958 N 1.46 -0.26 0.95 7.11 1.01 -1.26 -1.41 120.40 128.00 1dfq s VAL 958 Ca -0.05 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1dfq s VAL 958 Cb -0.12 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 35.94 1dfq s VAL 958 CO -0.04 0.10 0.68 -0.81 0.00 0.00 0.00 175.10 175.02 1dfq n PRO 959 N 4.91 -0.47 -2.66 2.72 -0.04 -1.26 -1.20 135.00 136.99 1dfq n PRO 959 Ca -0.14 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 1dfq n PRO 959 Cb 0.51 -2.05 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1dfq n PRO 959 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1dfq s LYS 960 N -4.01 4.23 0.25 0.54 2.20 0.21 -4.48 119.74 118.68 1dfq s LYS 960 Ca 0.61 1.30 -0.31 0.00 -0.36 0.00 0.00 55.97 57.21 1dfq s LYS 960 Cb -0.22 -3.66 -0.13 0.00 -1.51 0.00 0.00 37.83 32.32 1dfq s LYS 960 CO 0.64 -0.67 1.52 0.28 -0.36 0.00 0.00 175.35 176.76 1dfq n VAL 961 N 5.41 0.83 -2.18 4.02 0.31 -1.26 -4.78 118.33 120.67 1dfq n VAL 961 Ca 0.12 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 1dfq n VAL 961 Cb 0.46 -1.72 0.04 0.00 -0.91 0.00 0.00 33.84 31.71 1dfq n VAL 961 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1dfq s SER 962 N 0.49 5.53 0.11 4.52 1.04 -1.26 -4.89 113.70 119.24 1dfq s SER 962 Ca 0.68 0.89 -0.20 0.00 0.48 0.00 0.00 55.95 57.79 1dfq s SER 962 Cb -0.58 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 1dfq s SER 962 CO 0.47 -1.18 1.77 0.00 0.98 0.00 0.00 173.24 175.27 1dfq h ALA 963 N -0.38 0.19 -0.73 5.32 0.00 -1.96 0.17 119.26 121.87 1dfq h ALA 963 Ca -0.45 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.58 1dfq h ALA 963 Cb 1.26 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1dfq h ALA 963 CO 0.62 -0.33 0.28 0.77 0.00 0.00 0.00 179.25 180.60 1dfq h SER 964 N 0.20 0.26 1.36 0.00 0.02 -2.00 -0.90 113.55 112.50 1dfq h SER 964 Ca 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1dfq h SER 964 Cb -0.02 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1dfq h SER 964 CO -0.01 0.11 0.00 0.45 -1.14 0.00 0.00 176.83 176.23 1dfq h HIS 965 N 0.43 0.00 0.14 3.45 -0.00 -1.07 -2.17 115.15 115.93 1dfq h HIS 965 Ca 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.76 1dfq h HIS 965 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1dfq h HIS 965 CO -0.17 0.00 -0.07 -0.07 -0.00 0.00 0.00 177.93 177.63 1dfq h LEU 966 N 0.00 -0.15 0.03 2.43 3.38 -0.25 0.34 115.31 121.09 1dfq h LEU 966 Ca 0.00 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1dfq h LEU 966 Cb 0.68 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1dfq h LEU 966 CO 0.00 0.41 -0.37 -0.33 0.09 0.00 0.00 178.44 178.24 1dfq h GLU 967 N -0.82 -0.52 0.00 1.13 5.08 -1.12 0.59 114.58 118.92 1dfq h GLU 967 Ca -0.02 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1dfq h GLU 967 Cb 0.54 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1dfq h GLU 967 CO 0.03 -0.35 -0.59 0.37 -1.00 0.00 0.00 179.01 177.47 1dfq h GLN 968 N -0.54 0.00 0.00 2.33 4.15 -1.46 -3.34 115.11 116.25 1dfq h GLN 968 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1dfq h GLN 968 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1dfq h GLN 968 CO -0.27 0.59 -0.10 0.66 -1.93 0.00 0.00 178.83 177.78 1dfq n TYR 969 N -3.37 0.00 0.19 3.99 4.01 0.12 -4.85 117.16 117.24 1dfq n TYR 969 Ca 0.01 -0.46 0.17 0.00 -0.16 0.00 0.00 57.90 57.45 1dfq n TYR 969 Cb 0.72 -0.07 0.80 0.00 -0.31 0.00 0.00 39.34 40.48 1dfq n TYR 969 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dfq h GLY 970 N 0.00 0.00 -0.90 2.72 0.00 0.24 -2.68 103.07 102.45 1dfq h GLY 970 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dfq h GLY 970 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1dfq n THR 971 N -3.91 1.12 -3.13 4.70 -2.24 -1.26 -3.24 114.28 106.33 1dfq n THR 971 Ca 0.02 -1.11 -0.45 0.00 -2.27 0.00 0.00 64.05 60.25 1dfq n THR 971 Cb 0.34 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1dfq n THR 971 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1dfq s ASN 972 N -1.13 6.38 -0.46 3.42 2.47 -1.01 -5.02 114.94 119.59 1dfq s ASN 972 Ca 0.18 -1.81 -0.27 0.00 0.42 0.00 0.00 52.86 51.39 1dfq s ASN 972 Cb 0.11 -2.30 0.03 0.00 -1.45 0.00 0.00 41.25 37.64 1dfq s ASN 972 CO 0.10 -0.99 0.99 -0.70 -3.72 0.00 0.00 177.10 172.79 1dfq s GLU 973 N 2.14 3.60 0.10 0.43 2.12 -1.26 -4.37 118.70 121.46 1dfq s GLU 973 Ca 0.16 0.30 0.09 0.00 0.36 0.00 0.00 54.97 55.88 1dfq s GLU 973 Cb -0.18 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 1dfq s GLU 973 CO 0.00 -1.27 -0.21 1.52 -0.54 0.00 0.00 175.26 174.76 1dfq s TYR 974 N 3.98 2.46 0.64 5.30 1.13 -0.70 -4.90 117.35 125.25 1dfq s TYR 974 Ca 0.41 -0.31 -0.01 0.00 -1.41 0.00 0.00 57.07 55.75 1dfq s TYR 974 Cb -0.09 -1.35 0.07 0.00 -1.10 0.00 0.00 41.96 39.49 1dfq s TYR 974 CO 0.28 0.33 0.89 -1.54 -2.51 0.00 0.00 175.55 173.00 1dfq s SER 975 N -1.91 4.89 0.00 -0.18 1.04 -1.17 -0.76 113.70 115.61 1dfq s SER 975 Ca 0.16 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1dfq s SER 975 Cb -0.10 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1dfq s SER 975 CO 0.07 -1.46 0.00 2.30 0.98 0.00 0.00 173.24 175.14 1dfq n ILE 976 N -2.62 0.00 -3.75 -1.02 -5.35 -0.20 -1.83 119.36 104.59 1dfq n ILE 976 Ca 0.10 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.42 1dfq n ILE 976 Cb 0.60 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.34 1dfq n ILE 976 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1dfq s ILE 977 N -0.86 -0.07 -0.02 7.28 1.01 -1.15 -0.45 121.20 126.94 1dfq s ILE 977 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 1dfq s ILE 977 Cb 0.00 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.38 1dfq s ILE 977 CO 0.00 0.10 0.27 -0.55 0.00 0.00 0.00 174.94 174.77 1dfq s SER 978 N 1.29 -0.15 0.00 3.58 0.15 -0.63 -0.74 113.70 117.20 1dfq s SER 978 Ca -0.06 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.71 1dfq s SER 978 Cb -0.13 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1dfq s SER 978 CO -0.03 -0.41 0.75 -1.54 1.20 0.00 0.00 173.24 173.21 1dfq n SER 979 N 1.43 1.65 -4.45 5.45 3.41 -0.92 -1.14 113.62 119.04 1dfq n SER 979 Ca -0.21 -1.34 -0.44 0.00 -0.26 0.00 0.00 58.87 56.62 1dfq n SER 979 Cb 0.56 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1dfq n SER 979 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1dfq s MET 980 N -0.60 3.12 0.22 4.33 -1.94 -1.25 0.56 119.30 123.74 1dfq s MET 980 Ca 0.08 -0.86 -0.31 0.00 -1.71 0.00 0.00 55.69 52.90 1dfq s MET 980 Cb 0.06 -4.07 -0.11 0.00 2.01 0.00 0.00 34.83 32.71 1dfq s MET 980 CO 0.09 -1.14 1.65 0.21 -0.01 0.00 0.00 175.02 175.81 1dfq s LYS 981 N 2.52 4.15 0.00 2.03 2.20 -1.26 -4.92 119.74 124.46 1dfq s LYS 981 Ca 0.15 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1dfq s LYS 981 Cb -0.19 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1dfq s LYS 981 CO 0.12 -0.68 0.00 1.63 -0.36 0.00 0.00 175.35 176.07 1dfq n LYS 982 N 3.43 1.77 -1.47 4.03 4.76 -1.26 -3.64 118.16 125.79 1dfq n LYS 982 Ca 0.13 0.00 -0.50 0.00 -2.87 0.00 0.00 58.31 55.07 1dfq n LYS 982 Cb 0.37 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.49 1dfq n LYS 982 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1dfq n HIS 983 N 0.00 1.66 0.00 2.13 8.25 -1.26 -3.91 115.22 122.09 1dfq n HIS 983 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1dfq n HIS 983 Cb 0.00 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.56 1dfq n HIS 983 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1dfq n SER 984 N 9.80 0.00 -0.72 0.41 2.88 -1.26 -5.03 113.62 119.70 1dfq n SER 984 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1dfq n SER 984 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1dfq n SER 984 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1dfq n LEU 985 N -0.05 -0.96 -0.88 2.46 7.94 -1.25 -5.05 117.00 119.22 1dfq n LEU 985 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1dfq n LEU 985 Cb 0.00 -0.48 -0.05 0.00 0.53 0.00 0.00 43.42 43.42 1dfq n LEU 985 CO 0.00 0.00 0.28 -1.20 -1.11 0.00 0.00 177.39 175.36 1dfq n SER 986 N -0.30 -0.77 0.00 1.96 7.64 -1.26 -5.06 113.62 115.83 1dfq n SER 986 Ca 0.00 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1dfq n SER 986 Cb 0.06 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1dfq n SER 986 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1dfq n ILE 987 N 0.00 0.00 0.00 0.44 2.08 -1.26 -2.84 119.36 117.78 1dfq n ILE 987 Ca -0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1dfq n ILE 987 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.49 1dfq n ILE 987 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dfq n GLY 988 N 0.00 1.06 3.67 7.39 0.00 -1.24 -5.02 105.19 111.06 1dfq n GLY 988 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1dfq n GLY 988 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dfq n SER 989 N 0.00 3.08 0.00 1.61 2.88 -1.13 -4.70 113.62 115.37 1dfq n SER 989 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1dfq n SER 989 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 1dfq n SER 989 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dfq n GLY 990 N 3.08 0.90 3.61 0.46 0.00 0.20 -3.16 105.19 110.28 1dfq n GLY 990 Ca 0.15 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1dfq n GLY 990 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dfq s TRP 991 N -2.84 2.65 -0.02 1.61 1.48 -1.26 -1.56 118.94 119.00 1dfq s TRP 991 Ca 0.00 -0.22 -0.14 0.00 -1.06 0.00 0.00 56.10 54.68 1dfq s TRP 991 Cb 0.00 -1.22 0.02 0.00 -1.16 0.00 0.00 33.47 31.11 1dfq s TRP 991 CO 0.00 0.59 0.29 -1.54 -4.06 0.00 0.00 176.95 172.23 1dfq s SER 992 N -3.33 -0.18 -0.17 -2.66 1.04 0.19 -2.17 113.70 106.42 1dfq s SER 992 Ca 0.29 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 1dfq s SER 992 Cb -0.07 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1dfq s SER 992 CO 0.18 -0.40 -0.11 -0.69 0.98 0.00 0.00 173.24 173.20 1dfq s VAL 993 N -1.17 3.01 0.15 5.02 1.01 0.08 -1.11 120.40 127.40 1dfq s VAL 993 Ca -0.12 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1dfq s VAL 993 Cb -0.05 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1dfq s VAL 993 CO 0.04 0.49 0.19 -0.94 0.00 0.00 0.00 175.10 174.88 1dfq s SER 994 N 0.92 0.15 -0.00 3.32 1.04 -0.43 -1.03 113.70 117.66 1dfq s SER 994 Ca -0.02 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.46 1dfq s SER 994 Cb -0.15 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1dfq s SER 994 CO -0.00 -0.83 -0.17 -0.76 0.98 0.00 0.00 173.24 172.46 1dfq s LEU 995 N -3.00 2.06 -0.29 2.42 1.43 0.06 -0.84 118.68 120.52 1dfq s LEU 995 Ca 0.20 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1dfq s LEU 995 Cb 0.05 -0.84 0.12 0.00 0.03 0.00 0.00 46.19 45.55 1dfq s LEU 995 CO 0.01 0.18 0.24 -0.75 0.23 0.00 0.00 176.35 176.26 1dfq s LYS 996 N -0.53 0.27 6.72 1.70 2.20 -0.75 -1.72 119.74 127.64 1dfq s LYS 996 Ca 0.06 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1dfq s LYS 996 Cb -0.07 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 1dfq s LYS 996 CO -0.00 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 1dfq n GLY 997 N 5.29 3.74 2.59 5.54 0.00 -1.20 -0.12 105.19 121.04 1dfq n GLY 997 Ca -0.03 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1dfq n GLY 997 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dfq n ASN 998 N 6.09 7.53 -4.56 1.61 5.03 -1.26 -4.93 115.26 124.77 1dfq n ASN 998 Ca 0.00 -3.76 -0.33 0.00 0.87 0.00 0.00 54.58 51.36 1dfq n ASN 998 Cb 0.00 -1.04 -0.11 0.00 -1.02 0.00 0.00 39.78 37.61 1dfq n ASN 998 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1dfq s ASN 999 N -1.31 4.49 -0.15 6.41 0.01 0.83 -1.77 114.94 123.45 1dfq s ASN 999 Ca 0.57 -0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1dfq s ASN 999 Cb 0.46 -1.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.05 1dfq s ASN 999 CO -0.21 0.33 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.38 1dfq s LEU 1000N -1.01 2.79 -0.03 0.60 2.96 -0.51 -1.81 118.68 121.67 1dfq s LEU 1000Ca 0.14 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1dfq s LEU 1000Cb -0.11 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1dfq s LEU 1000CO 0.03 0.14 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.42 1dfq s ILE 1001N 0.52 1.28 -0.11 6.68 1.01 -0.02 0.38 121.20 130.93 1dfq s ILE 1001Ca -0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1dfq s ILE 1001Cb -0.15 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1dfq s ILE 1001CO 0.04 0.37 -0.04 0.86 0.00 0.00 0.00 174.94 176.17 1dfq s TRP 1002N -0.08 3.03 -0.01 3.97 -0.11 -0.95 -1.31 118.94 123.47 1dfq s TRP 1002Ca -0.00 -0.07 0.01 0.00 1.22 0.00 0.00 56.10 57.25 1dfq s TRP 1002Cb -0.09 -1.84 0.00 0.00 -1.50 0.00 0.00 33.47 30.04 1dfq s TRP 1002CO 0.01 0.20 -0.04 -0.08 -4.62 0.00 0.00 176.95 172.42 1dfq s THR 1003N -0.31 0.37 0.00 5.86 -1.32 -0.27 -1.95 115.64 118.03 1dfq s THR 1003Ca 0.05 -0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1dfq s THR 1003Cb -0.12 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 1dfq s THR 1003CO 0.02 0.13 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.62 1dfq s LEU 1004N 0.18 2.59 -0.18 9.08 1.43 -0.46 -0.63 118.68 130.68 1dfq s LEU 1004Ca -0.02 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1dfq s LEU 1004Cb -0.05 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1dfq s LEU 1004CO -0.00 0.29 0.41 -0.75 0.23 0.00 0.00 176.35 176.52 1dfq s LYS 1005N -1.11 0.34 0.63 1.70 2.20 -0.60 -2.66 119.74 120.23 1dfq s LYS 1005Ca 0.13 0.92 -0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1dfq s LYS 1005Cb -0.10 0.17 0.07 0.00 -1.51 0.00 0.00 37.83 36.45 1dfq s LYS 1005CO 0.03 -0.22 0.87 0.16 -0.36 0.00 0.00 175.35 175.84 1dfq s ASP 1006N 2.13 4.90 0.00 1.43 1.47 -1.17 -0.62 116.67 124.81 1dfq s ASP 1006Ca -0.05 -0.09 0.13 0.00 1.18 0.00 0.00 52.55 53.72 1dfq s ASP 1006Cb -0.11 -0.59 0.66 0.00 -0.34 0.00 0.00 42.92 42.55 1dfq s ASP 1006CO -0.12 -1.44 1.37 -1.54 0.68 0.00 0.00 175.17 174.11 1dfq n SER 1007N -2.57 0.00 0.00 2.11 3.41 0.51 0.60 113.62 117.68 1dfq n SER 1007Ca 0.10 0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1dfq n SER 1007Cb 0.60 -0.32 0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1dfq n SER 1007CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfq n ALA 1008N -1.32 3.86 -0.52 7.33 0.00 -1.26 -4.93 120.51 123.66 1dfq n ALA 1008Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1dfq n ALA 1008Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1dfq n ALA 1008CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dfq n GLY 1009N 1.48 0.72 3.72 0.00 0.00 0.20 -5.04 105.19 106.27 1dfq n GLY 1009Ca 0.05 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1dfq n GLY 1009CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfq s GLU 1010N -0.67 2.00 -0.08 1.61 2.56 -1.24 -4.80 118.70 118.08 1dfq s GLU 1010Ca 0.00 1.59 -0.05 0.00 0.00 0.00 0.00 54.97 56.52 1dfq s GLU 1010Cb 0.00 -1.83 0.04 0.00 2.00 0.00 0.00 34.13 34.33 1dfq s GLU 1010CO 0.00 -1.90 0.20 0.08 -0.56 0.00 0.00 175.26 173.07 1dfq s VAL 1011N -2.28 -0.04 -0.05 3.70 1.01 -1.26 -3.05 120.40 118.43 1dfq s VAL 1011Ca 0.70 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.87 1dfq s VAL 1011Cb -0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1dfq s VAL 1011CO 0.49 0.05 -0.24 -0.13 0.00 0.00 0.00 175.10 175.27 1dfq s ARG 1012N 1.02 2.51 -0.02 2.72 1.81 -1.09 -5.00 118.95 120.90 1dfq s ARG 1012Ca -0.08 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1dfq s ARG 1012Cb -0.09 -2.18 0.02 0.00 -0.45 0.00 0.00 34.95 32.25 1dfq s ARG 1012CO -0.06 0.42 0.01 -0.65 -0.68 0.00 0.00 175.30 174.34 1dfq s GLN 1013N -0.26 0.12 -0.24 3.54 -0.21 -1.26 -1.36 119.66 119.99 1dfq s GLN 1013Ca -0.00 0.09 -0.14 0.00 0.02 0.00 0.00 55.36 55.33 1dfq s GLN 1013Cb -0.13 -0.30 -0.04 0.00 1.00 0.00 0.00 33.01 33.54 1dfq s GLN 1013CO 0.03 -0.11 0.31 0.42 -2.12 0.00 0.00 175.29 173.82 1dfq s ILE 1014N 0.78 5.24 -0.30 1.08 1.01 -0.82 -4.88 121.20 123.31 1dfq s ILE 1014Ca -0.07 0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 1dfq s ILE 1014Cb -0.10 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1dfq s ILE 1014CO -0.02 0.24 0.14 -0.89 0.00 0.00 0.00 174.94 174.41 1dfq s THR 1015N 1.55 4.55 -0.23 2.92 2.01 -1.26 -2.25 115.64 122.93 1dfq s THR 1015Ca 0.14 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1dfq s THR 1015Cb -0.15 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1dfq s THR 1015CO 0.08 0.11 0.29 0.12 -0.69 0.00 0.00 174.62 174.52 1dfq s PHE 1016N 1.61 3.32 -0.36 4.92 5.36 0.16 -4.94 117.98 128.04 1dfq s PHE 1016Ca 0.05 0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 56.26 1dfq s PHE 1016Cb -0.17 -2.43 -0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1dfq s PHE 1016CO 0.06 -0.03 0.33 1.03 -1.46 0.00 0.00 175.22 175.14 1dfq s ARG 1017N 1.39 3.38 1.01 10.12 0.52 -1.26 -1.42 118.95 132.69 1dfq s ARG 1017Ca 0.13 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1dfq s ARG 1017Cb -0.15 -3.86 0.18 0.00 0.52 0.00 0.00 34.95 31.65 1dfq s ARG 1017CO 0.07 -0.58 1.02 -3.47 0.02 0.00 0.00 175.30 172.36 1dfq n ASP 1018N 5.29 -0.53 -4.74 0.23 2.03 -0.73 -4.96 116.55 113.14 1dfq n ASP 1018Ca -0.10 0.22 -0.33 0.00 0.52 0.00 0.00 54.79 55.10 1dfq n ASP 1018Cb 0.49 -1.38 0.08 0.00 -0.72 0.00 0.00 41.12 39.58 1dfq n ASP 1018CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dfq s LEU 1019N -6.26 3.32 0.12 -2.67 1.43 -1.26 -4.96 118.68 108.40 1dfq s LEU 1019Ca 0.66 2.17 0.05 0.00 -1.03 0.00 0.00 54.13 55.99 1dfq s LEU 1019Cb -0.23 -4.57 -0.20 0.00 0.03 0.00 0.00 46.19 41.22 1dfq s LEU 1019CO 0.61 -2.00 1.27 -0.65 0.23 0.00 0.00 176.35 175.80 1dfq h PRO 1020N -0.24 0.05 -6.51 1.29 0.11 -1.93 -3.43 132.00 121.35 1dfq h PRO 1020Ca -0.47 -0.09 -0.56 0.00 0.11 0.00 0.00 66.00 64.99 1dfq h PRO 1020Cb 1.27 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.33 1dfq h PRO 1020CO 0.51 1.03 0.94 0.34 -0.21 0.00 0.00 178.00 180.61 1dfq s ASP 1021N -6.80 6.44 0.42 -2.05 2.15 -1.26 -1.57 116.67 114.01 1dfq s ASP 1021Ca -0.00 0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.28 1dfq s ASP 1021Cb 0.10 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.97 1dfq s ASP 1021CO 0.83 -1.45 1.77 0.11 -0.17 0.00 0.00 175.17 176.26 1dfq h LYS 1022N 9.52 0.00 0.00 4.34 1.79 -1.25 -0.71 116.57 130.26 1dfq h LYS 1022Ca -0.25 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 1dfq h LYS 1022Cb 1.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1dfq h LYS 1022CO 1.18 0.25 -0.19 0.35 -1.08 0.00 0.00 179.45 179.95 1dfq h PHE 1023N 0.00 0.00 -0.28 -1.35 3.57 -1.90 -3.04 116.94 113.94 1dfq h PHE 1023Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dfq h PHE 1023Cb 0.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1dfq h PHE 1023CO 0.00 0.19 0.00 0.09 -2.23 0.00 0.00 178.31 176.36 1dfq n ASN 1024N -4.20 2.71 -4.88 0.41 3.02 -0.32 -5.06 115.26 106.94 1dfq n ASN 1024Ca -0.02 -1.90 -0.30 0.00 -0.03 0.00 0.00 54.58 52.32 1dfq n ASN 1024Cb 0.26 -0.18 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1dfq n ASN 1024CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dfq s ALA 1025N -0.98 2.99 -0.84 5.41 0.00 -0.95 -5.01 121.76 122.38 1dfq s ALA 1025Ca 0.20 -0.24 0.25 0.00 0.00 0.00 0.00 51.96 52.17 1dfq s ALA 1025Cb 0.11 -3.04 0.58 0.00 0.00 0.00 0.00 23.12 20.77 1dfq s ALA 1025CO 0.15 -0.94 1.49 0.66 0.00 0.00 0.00 175.76 177.11 1dfq n TYR 1026N -2.89 0.29 -2.72 0.00 4.01 -1.26 -4.09 117.16 110.49 1dfq n TYR 1026Ca 0.06 0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 1dfq n TYR 1026Cb 0.56 -0.50 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1dfq n TYR 1026CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dfq n LEU 1027N -1.80 2.94 -3.16 7.72 4.77 -1.26 -4.75 117.00 121.46 1dfq n LEU 1027Ca 0.05 -4.74 -0.20 0.00 -0.03 0.00 0.00 56.01 51.09 1dfq n LEU 1027Cb 0.38 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1dfq n LEU 1027CO 0.34 2.03 -0.18 0.00 -1.33 0.00 0.00 177.39 178.25 1dfq n ALA 1028N -0.18 2.47 -0.95 -1.18 0.00 -1.25 -4.48 120.51 114.94 1dfq n ALA 1028Ca 0.25 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1dfq n ALA 1028Cb 0.67 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1dfq n ALA 1028CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dfq n ASN 1029N 0.35 -0.82 -4.88 0.00 3.02 -0.34 -4.68 115.26 107.91 1dfq n ASN 1029Ca 0.25 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.55 1dfq n ASN 1029Cb 0.60 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 1dfq n ASN 1029CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1dfq s LYS 1030N -0.15 3.21 -0.05 3.52 1.02 -1.26 -4.77 119.74 121.25 1dfq s LYS 1030Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 1dfq s LYS 1030Cb 0.00 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1dfq s LYS 1030CO 0.00 0.49 1.62 -1.58 -0.92 0.00 0.00 175.35 174.96 1dfq s TRP 1031N -1.79 2.09 0.09 3.18 0.52 -0.13 -4.54 118.94 118.37 1dfq s TRP 1031Ca 0.33 0.28 0.07 0.00 0.02 0.00 0.00 56.10 56.80 1dfq s TRP 1031Cb -0.10 -3.88 -0.03 0.00 -1.15 0.00 0.00 33.47 28.30 1dfq s TRP 1031CO 0.26 -3.64 -0.19 0.14 0.02 0.00 0.00 176.95 173.54 1dfq s VAL 1032N 3.87 1.57 -0.26 4.03 -7.23 0.86 -4.92 120.40 118.32 1dfq s VAL 1032Ca 0.72 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 1dfq s VAL 1032Cb -0.33 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1dfq s VAL 1032CO 0.28 -0.10 0.25 0.12 -0.31 0.00 0.00 175.10 175.34 1dfq s PHE 1033N -1.18 3.27 -0.10 2.82 5.36 -1.26 0.73 117.98 127.61 1dfq s PHE 1033Ca 0.04 0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1dfq s PHE 1033Cb -0.10 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.14 1dfq s PHE 1033CO 0.04 -0.09 -0.01 0.42 -1.46 0.00 0.00 175.22 174.12 1dfq s ILE 1034N 1.57 4.21 -0.09 3.12 -1.09 0.10 -0.06 121.20 128.96 1dfq s ILE 1034Ca 0.10 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1dfq s ILE 1034Cb -0.15 -2.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1dfq s ILE 1034CO 0.08 0.58 0.20 0.28 -1.23 0.00 0.00 174.94 174.85 1dfq s THR 1035N -0.57 -0.10 -0.20 2.92 -1.32 -0.89 -1.85 115.64 113.63 1dfq s THR 1035Ca 0.09 0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1dfq s THR 1035Cb -0.12 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1dfq s THR 1035CO 0.02 0.08 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.70 1dfq s ILE 1036N 1.44 2.08 0.02 5.08 1.01 -0.26 0.21 121.20 130.77 1dfq s ILE 1036Ca -0.07 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1dfq s ILE 1036Cb -0.11 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1dfq s ILE 1036CO -0.07 0.40 0.05 0.42 0.00 0.00 0.00 174.94 175.73 1dfq s THR 1037N 1.25 4.45 -0.28 2.92 -4.23 0.25 -1.52 115.64 118.47 1dfq s THR 1037Ca 0.02 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 1dfq s THR 1037Cb -0.15 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.73 1dfq s THR 1037CO -0.11 0.30 -0.02 0.20 -0.54 0.00 0.00 174.62 174.45 1dfq s ASN 1038N -1.83 4.32 -0.54 3.99 0.01 0.57 -0.94 114.94 120.53 1dfq s ASN 1038Ca 0.23 -1.59 -0.16 0.00 -0.71 0.00 0.00 52.86 50.63 1dfq s ASN 1038Cb -0.12 -1.39 0.12 0.00 0.41 0.00 0.00 41.25 40.27 1dfq s ASN 1038CO 0.14 -0.29 0.51 -0.62 -1.51 0.00 0.00 177.10 175.34 1dfq s ASP 1039N 1.18 6.18 0.67 -1.22 2.15 0.14 -3.03 116.67 122.74 1dfq s ASP 1039Ca 0.00 -1.67 0.45 0.00 0.43 0.00 0.00 52.55 51.76 1dfq s ASP 1039Cb -0.19 -2.22 2.43 0.00 -0.30 0.00 0.00 42.92 42.64 1dfq s ASP 1039CO -0.08 -0.87 2.37 0.03 -0.17 0.00 0.00 175.17 176.45 1dfq h ARG 1040N 8.91 0.00 -0.21 4.34 2.47 -1.85 0.27 114.38 128.31 1dfq h ARG 1040Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1dfq h ARG 1040Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1dfq h ARG 1040CO 1.03 0.00 0.00 1.28 0.56 0.00 0.00 179.97 182.84 1dfq n LEU 1041N -3.09 2.16 0.00 3.04 4.77 -1.26 -4.34 117.00 118.28 1dfq n LEU 1041Ca -0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1dfq n LEU 1041Cb 0.07 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1dfq n LEU 1041CO 0.20 0.45 0.00 -1.54 -1.33 0.00 0.00 177.39 175.17 1dfq n SER 1042N 0.65 0.00 -4.89 -1.43 3.41 0.95 -4.87 113.62 107.45 1dfq n SER 1042Ca 0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.55 1dfq n SER 1042Cb 0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1dfq n SER 1042CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dfq s SER 1043N 1.70 4.85 -0.32 4.04 0.01 -1.14 -0.33 113.70 122.52 1dfq s SER 1043Ca 0.00 -0.96 0.03 0.00 1.31 0.00 0.00 55.95 56.33 1dfq s SER 1043Cb 0.00 -0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.17 1dfq s SER 1043CO 0.00 -0.86 0.00 0.00 0.41 0.00 0.00 173.24 172.80 1dfq s ALA 1044N -2.60 2.80 -0.05 1.44 0.00 0.39 0.27 121.76 124.01 1dfq s ALA 1044Ca 0.44 -2.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 1dfq s ALA 1044Cb -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1dfq s ALA 1044CO 0.26 -1.51 0.13 -0.80 0.00 0.00 0.00 175.76 173.84 1dfq s ASN 1045N 1.06 6.10 -0.20 0.00 0.01 -0.12 -3.67 114.94 118.12 1dfq s ASN 1045Ca 0.03 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.45 1dfq s ASN 1045Cb -0.20 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.56 1dfq s ASN 1045CO -0.06 0.32 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.61 1dfq s LEU 1046N -1.52 3.16 0.03 0.60 2.96 -0.23 -0.58 118.68 123.10 1dfq s LEU 1046Ca 0.21 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1dfq s LEU 1046Cb -0.12 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1dfq s LEU 1046CO 0.12 0.06 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.84 1dfq s TYR 1047N 1.00 2.89 -0.08 5.38 1.51 0.56 -0.66 117.35 127.96 1dfq s TYR 1047Ca 0.01 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1dfq s TYR 1047Cb -0.14 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1dfq s TYR 1047CO 0.01 0.39 -0.21 0.42 -1.11 0.00 0.00 175.55 175.06 1dfq s ILE 1048N -1.06 1.76 -0.98 2.71 1.01 -0.43 -2.09 121.20 122.13 1dfq s ILE 1048Ca 0.19 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 1dfq s ILE 1048Cb -0.11 -1.53 0.04 0.00 0.01 0.00 0.00 42.46 40.87 1dfq s ILE 1048CO 0.10 0.49 0.56 0.59 0.00 0.00 0.00 174.94 176.68 1dfq n ASN 1049N 3.44 -3.45 0.00 3.58 3.02 0.91 -0.72 115.26 122.04 1dfq n ASN 1049Ca -0.19 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1dfq n ASN 1049Cb 0.53 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1dfq n ASN 1049CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dfq n GLY 1050N -1.87 0.18 3.31 7.41 0.00 -1.26 -4.98 105.19 107.98 1dfq n GLY 1050Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1dfq n GLY 1050CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfq s VAL 1051N -1.52 2.26 0.11 1.61 1.01 0.11 -4.68 120.40 119.28 1dfq s VAL 1051Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 61.98 60.64 1dfq s VAL 1051Cb 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 36.38 34.42 1dfq s VAL 1051CO 0.00 0.57 1.64 -0.11 0.00 0.00 0.00 175.10 177.20 1dfq n LEU 1052N 2.78 3.13 0.00 3.92 7.94 -1.26 -1.31 117.00 132.19 1dfq n LEU 1052Ca -0.17 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1dfq n LEU 1052Cb 0.52 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1dfq n LEU 1052CO 0.25 -0.26 0.05 0.80 -1.11 0.00 0.00 177.39 177.12 1dfq n MET 1053N 4.08 2.91 -3.65 1.96 1.56 0.17 -4.88 117.12 119.27 1dfq n MET 1053Ca 0.18 -0.10 -0.02 0.00 -0.27 0.00 0.00 57.70 57.50 1dfq n MET 1053Cb 0.29 -0.47 -0.03 0.00 2.15 0.00 0.00 33.22 35.15 1dfq n MET 1053CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1dfq s GLY 1054N -0.44 -0.04 0.18 -5.12 0.00 -1.06 -4.89 107.32 95.95 1dfq s GLY 1054Ca 0.00 2.40 -0.14 0.00 0.00 0.00 0.00 44.72 46.97 1dfq s GLY 1054CO 0.00 0.87 0.44 -0.45 0.00 0.00 0.00 173.10 173.96 1dfq s SER 1055N -1.52 -0.15 -0.21 1.64 0.15 -1.26 -1.06 113.70 111.28 1dfq s SER 1055Ca 0.11 -0.61 -0.15 0.00 0.70 0.00 0.00 55.95 55.99 1dfq s SER 1055Cb -0.01 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1dfq s SER 1055CO -0.05 -0.99 0.53 0.00 1.20 0.00 0.00 173.24 173.92 1dfq s ALA 1056N -3.90 -1.34 0.08 5.45 0.00 -1.24 -4.87 121.76 115.93 1dfq s ALA 1056Ca 0.12 1.68 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 1dfq s ALA 1056Cb 0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 1dfq s ALA 1056CO -0.02 -0.28 1.13 -1.21 0.00 0.00 0.00 175.76 175.38 1dfq s GLU 1057N 0.86 4.50 -0.05 0.00 2.02 -1.26 -0.46 118.70 124.31 1dfq s GLU 1057Ca -0.05 1.68 0.08 0.00 0.02 0.00 0.00 54.97 56.71 1dfq s GLU 1057Cb -0.05 -3.35 0.12 0.00 0.10 0.00 0.00 34.13 30.94 1dfq s GLU 1057CO -0.07 -0.13 1.00 0.44 0.02 0.00 0.00 175.26 176.51 1dfq n ILE 1058N 3.55 1.00 -2.30 -1.63 -6.64 0.55 -4.89 119.36 108.99 1dfq n ILE 1058Ca 0.07 -1.15 -0.39 0.00 -1.77 0.00 0.00 62.75 59.51 1dfq n ILE 1058Cb 0.47 0.26 -0.02 0.00 -1.44 0.00 0.00 39.64 38.91 1dfq n ILE 1058CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1dfq s THR 1059N -1.41 3.16 0.00 7.28 -4.23 -1.22 -2.83 115.64 116.39 1dfq s THR 1059Ca 0.13 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1dfq s THR 1059Cb 0.12 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1dfq s THR 1059CO 0.01 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1dfq n GLY 1060N 0.71 0.74 3.82 3.99 0.00 -1.26 -5.07 105.19 108.12 1dfq n GLY 1060Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1dfq n GLY 1060CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dfq s LEU 1061N 0.00 4.05 0.00 0.99 1.43 -1.13 -4.99 118.68 119.03 1dfq s LEU 1061Ca 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1dfq s LEU 1061Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1dfq s LEU 1061CO 0.00 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1dfq n GLY 1062N 1.31 0.58 3.63 -3.19 0.00 -1.26 -5.04 105.19 101.22 1dfq n GLY 1062Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1dfq n GLY 1062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfq s ALA 1063N -2.92 3.62 -0.03 4.61 0.00 -1.26 -4.77 121.76 121.01 1dfq s ALA 1063Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.31 1dfq s ALA 1063Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1dfq s ALA 1063CO 0.00 -0.85 0.91 0.42 0.00 0.00 0.00 175.76 176.25 1dfq s ILE 1064N 2.59 4.90 -0.45 0.00 1.01 -0.67 -0.36 121.20 128.21 1dfq s ILE 1064Ca 0.28 1.90 0.09 0.00 0.00 0.00 0.00 60.65 62.92 1dfq s ILE 1064Cb -0.15 -4.25 0.31 0.00 0.01 0.00 0.00 42.46 38.38 1dfq s ILE 1064CO 0.08 0.16 0.72 0.54 0.00 0.00 0.00 174.94 176.45 1dfq n ARG 1065N 4.03 1.58 0.00 2.79 1.74 -1.26 -4.31 116.66 121.22 1dfq n ARG 1065Ca 0.05 -3.81 0.00 0.00 -0.77 0.00 0.00 57.85 53.31 1dfq n ARG 1065Cb 0.51 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1dfq n ARG 1065CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1dfq n GLU 1066N 0.53 1.03 -2.52 5.56 0.28 -1.19 -4.39 120.64 119.94 1dfq n GLU 1066Ca 0.26 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.03 1dfq n GLU 1066Cb 0.54 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.47 1dfq n GLU 1066CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1dfq s ASP 1067N -1.58 4.94 0.06 -1.84 -1.08 0.19 -4.80 116.67 112.55 1dfq s ASP 1067Ca 0.00 0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.28 1dfq s ASP 1067Cb 0.00 -0.72 0.38 0.00 -1.46 0.00 0.00 42.92 41.12 1dfq s ASP 1067CO 0.00 -1.42 1.32 -3.20 0.52 0.00 0.00 175.17 172.39 1dfq n ASN 1068N -2.60 0.59 -4.59 -0.34 5.15 -1.26 -4.82 115.26 107.40 1dfq n ASN 1068Ca 0.10 -0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.65 1dfq n ASN 1068Cb 0.60 0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 40.03 1dfq n ASN 1068CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1dfq s ASN 1069N -3.63 4.81 -0.23 1.20 0.01 -1.26 -1.27 114.94 114.57 1dfq s ASN 1069Ca 0.08 -0.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.13 1dfq s ASN 1069Cb 0.15 -1.35 -0.05 0.00 0.41 0.00 0.00 41.25 40.42 1dfq s ASN 1069CO 0.72 0.33 0.13 -0.63 -1.51 0.00 0.00 177.10 176.15 1dfq s ILE 1070N -0.63 5.18 -0.23 0.60 1.01 -0.38 -4.52 121.20 122.23 1dfq s ILE 1070Ca 0.10 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1dfq s ILE 1070Cb -0.12 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1dfq s ILE 1070CO 0.02 0.38 -0.03 -0.89 0.00 0.00 0.00 174.94 174.42 1dfq s THR 1071N 0.90 3.42 -0.27 2.92 2.01 -0.29 -0.19 115.64 124.13 1dfq s THR 1071Ca 0.07 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 1dfq s THR 1071Cb -0.13 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1dfq s THR 1071CO 0.03 0.37 0.27 -0.76 -0.69 0.00 0.00 174.62 173.84 1dfq s LEU 1072N 1.47 4.03 0.00 4.42 1.02 -0.07 -1.60 118.68 127.96 1dfq s LEU 1072Ca 0.05 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.32 1dfq s LEU 1072Cb -0.15 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.81 1dfq s LEU 1072CO -0.03 -0.10 0.00 1.17 0.02 0.00 0.00 176.35 177.41 1dfq n LYS 1073N 5.16 0.00 -2.06 1.70 4.81 0.41 -1.44 118.16 126.74 1dfq n LYS 1073Ca -0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.90 1dfq n LYS 1073Cb 0.51 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 1dfq n LYS 1073CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dfq s LEU 1074N 0.00 3.72 -0.05 3.14 1.43 -1.26 -4.14 118.68 121.52 1dfq s LEU 1074Ca 0.00 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1dfq s LEU 1074Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1dfq s LEU 1074CO 0.00 -1.46 0.08 -0.62 0.23 0.00 0.00 176.35 174.58 1dfq s ASP 1075N 5.05 5.77 -1.76 2.29 -1.08 -0.76 -4.51 116.67 121.67 1dfq s ASP 1075Ca 0.75 0.23 -0.16 0.00 -0.52 0.00 0.00 52.55 52.86 1dfq s ASP 1075Cb -0.24 -1.71 0.16 0.00 -1.46 0.00 0.00 42.92 39.67 1dfq s ASP 1075CO 0.32 0.33 0.45 0.54 0.52 0.00 0.00 175.17 177.33 1dfq n ARG 1076N 1.60 -1.15 -3.41 4.34 1.74 -1.26 -3.04 116.66 115.49 1dfq n ARG 1076Ca -0.16 0.16 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 1dfq n ARG 1076Cb 0.53 -4.44 -0.07 0.00 -1.02 0.00 0.00 32.46 27.47 1dfq n ARG 1076CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dfq n ASN 1078N 3.94 0.94 -4.26 0.00 4.13 -1.26 -4.78 115.26 113.96 1dfq n ASN 1078Ca -0.09 -1.60 -0.35 0.00 1.68 0.00 0.00 54.58 54.22 1dfq n ASN 1078Cb 0.51 -0.06 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 1dfq n ASN 1078CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1dfq s ASN 1079N -1.54 4.14 0.33 6.41 2.47 -1.26 -4.99 114.94 120.49 1dfq s ASN 1079Ca 0.29 -0.55 0.02 0.00 0.42 0.00 0.00 52.86 53.04 1dfq s ASN 1079Cb 0.15 -1.69 0.57 0.00 -1.45 0.00 0.00 41.25 38.83 1dfq s ASN 1079CO 0.23 -0.05 1.93 0.78 -3.72 0.00 0.00 177.10 176.27 1dfq h ASN 1080N 8.07 0.67 1.15 -4.21 2.35 -1.92 -2.67 115.58 119.02 1dfq h ASN 1080Ca -0.40 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1dfq h ASN 1080Cb 1.14 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1dfq h ASN 1080CO 0.60 0.60 0.00 0.59 -1.65 0.00 0.00 177.43 177.57 1dfq n ASN 1081N -4.35 0.73 -4.63 5.81 3.02 -1.26 -4.24 115.26 110.33 1dfq n ASN 1081Ca 0.04 0.61 -0.38 0.00 -0.03 0.00 0.00 54.58 54.82 1dfq n ASN 1081Cb 0.15 -0.79 0.05 0.00 -0.61 0.00 0.00 39.78 38.58 1dfq n ASN 1081CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1dfq n GLN 1082N -2.23 0.99 -3.45 3.52 -0.06 -1.01 -4.88 117.38 110.26 1dfq n GLN 1082Ca 0.04 0.38 -0.12 0.00 -2.00 0.00 0.00 57.00 55.30 1dfq n GLN 1082Cb 0.34 -2.21 -0.03 0.00 -4.06 0.00 0.00 30.24 24.29 1dfq n GLN 1082CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 1dfq s TYR 1083N -1.48 -0.51 0.12 3.69 -0.85 -1.26 -3.29 117.35 113.76 1dfq s TYR 1083Ca 0.75 0.42 -0.11 0.00 -0.52 0.00 0.00 57.07 57.61 1dfq s TYR 1083Cb -0.42 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.46 1dfq s TYR 1083CO 0.47 -0.74 0.28 0.14 -1.52 0.00 0.00 175.55 174.18 1dfq s VAL 1084N -3.21 0.10 -0.02 -3.49 -7.23 -0.99 -4.50 120.40 101.06 1dfq s VAL 1084Ca 0.00 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1dfq s VAL 1084Cb -0.01 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1dfq s VAL 1084CO -0.09 -0.46 -0.13 -0.44 -0.31 0.00 0.00 175.10 173.67 1dfq s SER 1085N -2.87 1.60 0.02 4.85 0.01 -0.50 -1.38 113.70 115.42 1dfq s SER 1085Ca 0.08 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.13 1dfq s SER 1085Cb 0.03 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1dfq s SER 1085CO -0.08 0.14 -0.13 -0.63 0.41 0.00 0.00 173.24 172.95 1dfq s ILE 1086N -0.11 0.99 0.01 1.44 1.01 0.10 -0.62 121.20 124.02 1dfq s ILE 1086Ca 0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1dfq s ILE 1086Cb -0.07 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1dfq s ILE 1086CO 0.00 0.10 0.08 -0.62 0.00 0.00 0.00 174.94 174.50 1dfq s ASP 1087N -0.77 0.11 -0.87 3.58 -1.08 -0.36 -1.04 116.67 116.24 1dfq s ASP 1087Ca 0.02 -0.32 -0.06 0.00 -0.52 0.00 0.00 52.55 51.68 1dfq s ASP 1087Cb -0.06 0.17 0.01 0.00 -1.46 0.00 0.00 42.92 41.57 1dfq s ASP 1087CO 0.00 -0.34 0.76 0.29 0.52 0.00 0.00 175.17 176.40 1dfq n LYS 1088N 1.51 -5.12 -2.12 4.34 4.76 -1.26 -0.70 118.16 119.57 1dfq n LYS 1088Ca -0.23 0.53 -0.43 0.00 -2.87 0.00 0.00 58.31 55.32 1dfq n LYS 1088Cb 0.55 -4.68 -0.03 0.00 -1.84 0.00 0.00 35.03 29.04 1dfq n LYS 1088CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1dfq s PHE 1089N -3.21 2.18 0.03 2.13 5.36 -1.26 -4.39 117.98 118.83 1dfq s PHE 1089Ca 0.37 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1dfq s PHE 1089Cb -0.16 -3.85 -0.02 0.00 -0.34 0.00 0.00 43.02 38.65 1dfq s PHE 1089CO 0.47 -3.19 -0.04 0.50 -1.46 0.00 0.00 175.22 171.50 1dfq s ARG 1090N 4.08 0.39 -0.03 10.12 3.52 0.54 -1.33 118.95 136.24 1dfq s ARG 1090Ca 0.69 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1dfq s ARG 1090Cb -0.29 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 1dfq s ARG 1090CO 0.26 -0.04 -0.06 0.42 -0.81 0.00 0.00 175.30 175.07 1dfq s ILE 1091N -1.69 0.59 0.06 4.11 1.01 -0.26 -0.46 121.20 124.55 1dfq s ILE 1091Ca -0.12 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1dfq s ILE 1091Cb -0.08 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1dfq s ILE 1091CO -0.02 0.20 -0.20 -0.36 0.00 0.00 0.00 174.94 174.57 1dfq s PHE 1092N 0.38 2.49 -0.85 3.97 0.40 -0.71 -0.36 117.98 123.30 1dfq s PHE 1092Ca -0.05 -0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1dfq s PHE 1092Cb -0.09 -1.42 0.12 0.00 0.51 0.00 0.00 43.02 42.14 1dfq s PHE 1092CO 0.00 0.25 2.52 0.00 0.70 0.00 0.00 175.22 178.69 1dfq s LYS 1094N -1.81 0.71 -0.27 0.00 -2.85 -1.22 -4.81 119.74 109.49 1dfq s LYS 1094Ca 0.55 -0.23 -0.24 0.00 -1.00 0.00 0.00 55.97 55.06 1dfq s LYS 1094Cb 0.30 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 36.39 1dfq s LYS 1094CO -0.18 -0.31 0.80 0.00 0.10 0.00 0.00 175.35 175.77 1dfq s ALA 1095N -2.83 3.60 0.44 0.59 0.00 -1.26 -2.36 121.76 119.94 1dfq s ALA 1095Ca 0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.51 1dfq s ALA 1095Cb -0.01 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1dfq s ALA 1095CO -0.07 -1.03 1.12 -0.51 0.00 0.00 0.00 175.76 175.26 1dfq s LEU 1096N 2.88 4.05 0.37 0.00 1.43 -1.26 -4.98 118.68 121.16 1dfq s LEU 1096Ca 0.33 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.56 1dfq s LEU 1096Cb -0.15 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 1dfq s LEU 1096CO 0.10 -0.77 0.68 0.54 0.23 0.00 0.00 176.35 177.13 1dfq s ASN 1097N -1.46 6.45 0.32 2.29 6.03 -1.26 -4.92 114.94 122.38 1dfq s ASN 1097Ca 0.62 0.92 0.09 0.00 -1.03 0.00 0.00 52.86 53.46 1dfq s ASN 1097Cb -0.26 -2.23 0.90 0.00 -3.03 0.00 0.00 41.25 36.63 1dfq s ASN 1097CO 0.31 -0.35 1.70 -0.65 -2.03 0.00 0.00 177.10 176.09 1dfq h PRO 1098N 1.24 0.45 -0.11 3.55 0.11 -1.96 -0.42 132.00 134.86 1dfq h PRO 1098Ca -0.47 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1dfq h PRO 1098Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1dfq h PRO 1098CO 0.64 0.30 0.05 0.87 -0.21 0.00 0.00 178.00 179.65 1dfq h LYS 1099N 0.46 0.11 -0.72 1.05 1.57 -1.97 -1.85 116.57 115.22 1dfq h LYS 1099Ca 0.65 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.44 1dfq h LYS 1099Cb 1.30 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1dfq h LYS 1099CO -0.53 0.07 0.46 0.93 -0.57 0.00 0.00 179.45 179.82 1dfq h GLU 1100N 0.12 0.90 0.27 3.15 5.08 -1.49 -2.66 114.58 119.95 1dfq h GLU 1100Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dfq h GLU 1100Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1dfq h GLU 1100CO -0.03 0.60 -0.13 0.82 -1.00 0.00 0.00 179.01 179.27 1dfq h ILE 1101N 0.93 0.75 -0.89 3.13 2.04 -1.06 0.22 117.51 122.63 1dfq h ILE 1101Ca 0.28 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 66.15 1dfq h ILE 1101Cb -0.04 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 1dfq h ILE 1101CO -0.09 0.02 0.53 -0.08 0.00 0.00 0.00 178.15 178.53 1dfq h GLU 1102N -0.41 0.85 0.36 2.37 4.57 -1.28 0.19 114.58 121.24 1dfq h GLU 1102Ca -0.04 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1dfq h GLU 1102Cb 0.31 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1dfq h GLU 1102CO 0.06 0.56 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.06 1dfq h LYS 1103N 0.88 -0.47 -0.87 1.92 3.64 -0.90 0.06 116.57 120.82 1dfq h LYS 1103Ca 0.43 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.92 1dfq h LYS 1103Cb 0.38 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 1dfq h LYS 1103CO -0.25 -0.23 -0.58 1.25 -2.27 0.00 0.00 179.45 177.37 1dfq h LEU 1104N -0.63 -2.10 -0.50 5.20 6.46 -0.13 0.40 115.31 124.01 1dfq h LEU 1104Ca -0.05 0.31 0.10 0.00 -0.12 0.00 0.00 57.88 58.12 1dfq h LEU 1104Cb 0.46 0.92 -0.08 0.00 -0.73 0.00 0.00 40.66 41.22 1dfq h LEU 1104CO 0.08 -0.27 -0.01 0.22 -0.62 0.00 0.00 178.44 177.84 1dfq h TYR 1105N -0.08 -0.06 0.00 1.25 3.20 -0.42 -1.05 116.97 119.80 1dfq h TYR 1105Ca 0.14 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1dfq h TYR 1105Cb 0.45 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1dfq h TYR 1105CO -0.97 -0.13 0.00 0.25 -1.64 0.00 0.00 178.16 175.68 1dfq n THR 1106N -5.25 0.57 0.21 1.81 -2.24 -0.01 -3.51 114.28 105.86 1dfq n THR 1106Ca 0.05 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1dfq n THR 1106Cb 0.27 -0.71 0.46 0.00 -2.10 0.00 0.00 70.33 68.25 1dfq n THR 1106CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dfq h SER 1107N 0.00 0.00 1.24 3.42 4.64 0.42 -2.05 113.55 121.22 1dfq h SER 1107Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dfq h SER 1107Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1dfq h SER 1107CO 0.00 0.29 -0.31 1.88 -0.87 0.00 0.00 176.83 177.82 1dfq h TYR 1108N 0.00 0.00 -1.70 4.77 0.05 -1.62 -3.40 116.97 115.07 1dfq h TYR 1108Ca -0.00 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 1dfq h TYR 1108Cb 0.59 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.19 1dfq h TYR 1108CO 0.00 0.00 1.66 -0.51 -1.05 0.00 0.00 178.16 178.26 1dfq s LEU 1109N -4.58 4.61 0.19 3.88 1.43 -0.77 -4.62 118.68 118.82 1dfq s LEU 1109Ca 0.08 -2.80 -0.31 0.00 -1.03 0.00 0.00 54.13 50.07 1dfq s LEU 1109Cb 0.12 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 1dfq s LEU 1109CO 0.66 -0.90 1.52 -0.94 0.23 0.00 0.00 176.35 176.93 1dfq s SER 1110N 3.33 6.61 0.00 2.29 1.04 -1.26 -4.94 113.70 120.76 1dfq s SER 1110Ca 0.47 2.63 0.24 0.00 0.48 0.00 0.00 55.95 59.77 1dfq s SER 1110Cb -0.00 -2.60 0.32 0.00 0.10 0.00 0.00 66.02 63.83 1dfq s SER 1110CO 0.03 -0.79 1.28 2.30 0.98 0.00 0.00 173.24 177.05 1dfq n ILE 1111N 3.43 0.00 0.09 -1.02 -5.35 -1.26 -4.48 119.36 110.77 1dfq n ILE 1111Ca 0.11 -0.05 -0.03 0.00 -0.27 0.00 0.00 62.75 62.52 1dfq n ILE 1111Cb 0.39 0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 38.79 1dfq n ILE 1111CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1dfq h THR 1112N 0.44 1.36 -3.28 7.28 1.35 -1.96 -3.43 112.91 114.66 1dfq h THR 1112Ca 0.00 -2.92 -0.61 0.00 -0.55 0.00 0.00 66.41 62.32 1dfq h THR 1112Cb 0.52 2.67 -0.16 0.00 -1.73 0.00 0.00 68.15 69.45 1dfq h THR 1112CO 0.00 0.77 -0.56 -0.36 -0.25 0.00 0.00 175.52 175.12 1dfq s PHE 1113N -2.81 3.26 0.54 4.73 0.40 -1.26 -1.18 117.98 121.65 1dfq s PHE 1113Ca 0.02 0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.31 1dfq s PHE 1113Cb 0.09 -2.08 -0.06 0.00 0.51 0.00 0.00 43.02 41.48 1dfq s PHE 1113CO 0.79 0.17 0.96 -0.51 0.70 0.00 0.00 175.22 177.32 1dfq s LEU 1114N 0.35 3.51 0.18 -0.37 1.43 -1.14 -4.86 118.68 117.77 1dfq s LEU 1114Ca 0.03 1.41 0.11 0.00 -1.03 0.00 0.00 54.13 54.64 1dfq s LEU 1114Cb -0.12 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1dfq s LEU 1114CO -0.00 -0.67 -0.20 -0.13 0.23 0.00 0.00 176.35 175.58 1dfq s ARG 1115N -4.50 1.66 0.72 1.70 0.52 -1.26 0.73 118.95 118.52 1dfq s ARG 1115Ca 0.56 -1.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1dfq s ARG 1115Cb -0.10 -1.95 0.15 0.00 0.52 0.00 0.00 34.95 33.57 1dfq s ARG 1115CO 0.41 0.42 0.99 -0.40 0.02 0.00 0.00 175.30 176.74 1dfq n ASP 1116N 0.29 1.23 0.29 0.23 5.68 -0.10 -4.53 116.55 119.64 1dfq n ASP 1116Ca -0.13 -2.06 0.14 0.00 -0.50 0.00 0.00 54.79 52.24 1dfq n ASP 1116Cb 0.55 -0.65 0.87 0.00 -1.14 0.00 0.00 41.12 40.75 1dfq n ASP 1116CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1dfq h PHE 1117N -0.68 0.00 -0.01 2.11 3.57 -1.04 -2.14 116.94 118.75 1dfq h PHE 1117Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1dfq h PHE 1117Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1dfq h PHE 1117CO 0.00 0.03 -0.21 0.91 -2.23 0.00 0.00 178.31 176.81 1dfq n TRP 1118N -3.81 0.00 0.00 0.41 7.02 -1.26 -4.88 117.44 114.92 1dfq n TRP 1118Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1dfq n TRP 1118Cb 0.12 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 1dfq n TRP 1118CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dfq n GLY 1119N 1.31 0.39 3.91 6.99 0.00 -0.80 -0.96 105.19 116.03 1dfq n GLY 1119Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1dfq n GLY 1119CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dfq s ASN 1120N -2.63 5.89 0.13 1.61 0.01 -1.26 -4.62 114.94 114.08 1dfq s ASN 1120Ca 0.00 0.85 -0.35 0.00 -0.71 0.00 0.00 52.86 52.66 1dfq s ASN 1120Cb 0.00 -1.97 -0.15 0.00 0.41 0.00 0.00 41.25 39.53 1dfq s ASN 1120CO 0.00 -0.87 1.39 -2.65 -1.51 0.00 0.00 177.10 173.46 1dfq n PRO 1121N -2.48 1.52 -2.07 -0.60 -0.02 -1.26 -0.92 135.00 129.16 1dfq n PRO 1121Ca 0.03 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 1dfq n PRO 1121Cb 0.56 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1dfq n PRO 1121CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1dfq s LEU 1122N 0.60 4.13 0.12 2.45 0.20 0.22 -4.52 118.68 121.88 1dfq s LEU 1122Ca 0.80 2.58 0.10 0.00 0.69 0.00 0.00 54.13 58.30 1dfq s LEU 1122Cb -0.83 -4.02 -0.04 0.00 -0.43 0.00 0.00 46.19 40.87 1dfq s LEU 1122CO 0.45 -0.94 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.21 1dfq s ARG 1123N -2.40 1.27 0.67 1.98 1.81 -1.26 -0.79 118.95 120.22 1dfq s ARG 1123Ca 0.60 -1.25 -0.11 0.00 -1.72 0.00 0.00 55.73 53.24 1dfq s ARG 1123Cb -0.36 -1.65 -0.01 0.00 -0.45 0.00 0.00 34.95 32.48 1dfq s ARG 1123CO 0.45 0.39 1.06 0.71 -0.68 0.00 0.00 175.30 177.23 1dfq s TYR 1124N -1.11 3.42 -1.37 -0.53 2.02 0.11 -4.18 117.35 115.71 1dfq s TYR 1124Ca 0.10 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 1dfq s TYR 1124Cb -0.10 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 1dfq s TYR 1124CO 0.05 -0.99 0.00 -0.25 -1.57 0.00 0.00 175.55 172.79 1dfq n ASP 1125N -2.92 -3.89 -4.55 2.29 8.00 -0.88 -4.95 116.55 109.64 1dfq n ASP 1125Ca 0.07 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.61 1dfq n ASP 1125Cb 0.55 -3.44 -0.10 0.00 -0.02 0.00 0.00 41.12 38.12 1dfq n ASP 1125CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dfq s THR 1126N -2.06 3.08 0.23 -3.53 -4.23 -1.26 -4.96 115.64 102.92 1dfq s THR 1126Ca 0.00 -1.64 -0.26 0.00 -1.18 0.00 0.00 61.69 58.61 1dfq s THR 1126Cb 0.00 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 1dfq s THR 1126CO 0.00 -0.06 0.87 -1.61 -0.54 0.00 0.00 174.62 173.27 1dfq s GLU 1127N -2.66 4.64 -0.04 3.99 2.02 -1.26 -4.15 118.70 121.22 1dfq s GLU 1127Ca 0.23 1.28 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 1dfq s GLU 1127Cb -0.09 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 31.03 1dfq s GLU 1127CO 0.14 0.47 0.17 0.71 0.02 0.00 0.00 175.26 176.77 1dfq s TYR 1128N -1.31 -0.12 -0.12 1.61 2.02 -0.64 -4.53 117.35 114.26 1dfq s TYR 1128Ca 0.42 0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 57.26 1dfq s TYR 1128Cb -0.22 0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1dfq s TYR 1128CO 0.27 -0.17 0.35 0.71 -1.57 0.00 0.00 175.55 175.14 1dfq s TYR 1129N -0.42 3.53 -0.03 2.71 2.02 0.89 0.60 117.35 126.66 1dfq s TYR 1129Ca -0.05 0.74 -0.22 0.00 -0.37 0.00 0.00 57.07 57.16 1dfq s TYR 1129Cb -0.03 -2.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.12 1dfq s TYR 1129CO 0.01 0.33 0.66 -0.51 -1.57 0.00 0.00 175.55 174.46 1dfq s LEU 1130N 0.12 4.37 -0.02 -1.29 1.43 -1.25 0.06 118.68 122.10 1dfq s LEU 1130Ca 0.20 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1dfq s LEU 1130Cb -0.14 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.07 1dfq s LEU 1130CO 0.07 -0.01 -0.03 -0.63 0.23 0.00 0.00 176.35 175.99 1dfq s ILE 1131N 0.29 0.33 -0.10 -0.59 1.01 0.02 -3.82 121.20 118.33 1dfq s ILE 1131Ca 0.34 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 1dfq s ILE 1131Cb -0.18 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1dfq s ILE 1131CO 0.18 0.15 1.24 -2.16 0.00 0.00 0.00 174.94 174.35 1dfq s PRO 1132N 0.59 4.30 0.25 2.79 0.04 -1.26 -0.41 135.00 141.30 1dfq s PRO 1132Ca -0.07 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1dfq s PRO 1132Cb -0.10 -3.65 0.42 0.00 0.04 0.00 0.00 34.50 31.22 1dfq s PRO 1132CO -0.01 -0.56 1.81 0.28 0.04 0.00 0.00 177.00 178.56 1dfq h VAL 1133N 5.21 0.89 0.00 -0.36 2.07 -1.38 0.18 116.25 122.86 1dfq h VAL 1133Ca -0.31 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1dfq h VAL 1133Cb 1.14 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dfq h VAL 1133CO 0.92 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.65 1dfq h ALA 1134N 1.47 1.00 -1.19 1.67 0.00 -1.79 -3.28 119.26 117.13 1dfq h ALA 1134Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.94 1dfq h ALA 1134Cb 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.86 1dfq h ALA 1134CO -0.26 0.00 -1.00 0.43 0.00 0.00 0.00 179.25 178.42 1dfq n SER 1135N -2.92 0.25 0.00 0.00 7.64 0.59 -5.02 113.62 114.15 1dfq n SER 1135Ca -0.02 -2.97 0.01 0.00 1.01 0.00 0.00 58.87 56.90 1dfq n SER 1135Cb 0.10 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.32 1dfq n SER 1135CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dfq n SER 1136N 0.10 0.00 -0.86 6.43 3.41 -1.00 -0.55 113.62 121.14 1dfq n SER 1136Ca 0.15 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 1dfq n SER 1136Cb 0.73 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.96 1dfq n SER 1136CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dfq n SER 1137N -0.62 2.61 -4.40 4.04 3.41 -1.26 -4.90 113.62 112.49 1dfq n SER 1137Ca 0.02 -1.86 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1dfq n SER 1137Cb 0.01 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 63.68 1dfq n SER 1137CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1dfq s LYS 1138N -1.72 2.57 0.32 4.33 -0.14 0.28 -0.97 119.74 124.41 1dfq s LYS 1138Ca 0.35 -0.76 0.07 0.00 -1.36 0.00 0.00 55.97 54.26 1dfq s LYS 1138Cb 0.20 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1dfq s LYS 1138CO 0.30 0.52 0.37 -0.51 -0.76 0.00 0.00 175.35 175.27 1dfq s ASP 1139N -0.48 5.71 0.17 2.83 1.01 0.13 -4.27 116.67 121.77 1dfq s ASP 1139Ca 0.06 -0.28 -0.05 0.00 0.71 0.00 0.00 52.55 52.98 1dfq s ASP 1139Cb -0.12 -1.21 -0.06 0.00 1.01 0.00 0.00 42.92 42.54 1dfq s ASP 1139CO 0.01 -0.33 0.41 -0.69 0.21 0.00 0.00 175.17 174.79 1dfq s VAL 1140N -2.20 5.12 0.08 -1.27 1.01 -1.25 -1.22 120.40 120.68 1dfq s VAL 1140Ca 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1dfq s VAL 1140Cb -0.08 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1dfq s VAL 1140CO 0.29 -0.01 0.01 -1.58 0.00 0.00 0.00 175.10 173.80 1dfq s GLN 1141N -2.77 0.75 -0.17 2.72 2.00 0.13 -2.79 119.66 119.52 1dfq s GLN 1141Ca 0.42 -1.31 -0.00 0.00 -2.00 0.00 0.00 55.36 52.47 1dfq s GLN 1141Cb -0.12 0.23 0.00 0.00 0.80 0.00 0.00 33.01 33.92 1dfq s GLN 1141CO 0.25 -0.18 -0.14 -1.17 -0.50 0.00 0.00 175.29 173.55 1dfq s LEU 1142N -2.97 2.49 0.14 3.68 2.96 -1.26 -1.58 118.68 122.14 1dfq s LEU 1142Ca 0.14 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1dfq s LEU 1142Cb 0.08 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1dfq s LEU 1142CO -0.05 0.05 1.57 0.50 -1.32 0.00 0.00 176.35 177.10 1dfq h LYS 1143N 7.57 -0.41 -1.16 1.98 1.63 0.02 -3.47 116.57 122.73 1dfq h LYS 1143Ca -0.37 0.03 0.31 0.00 -0.85 0.00 0.00 60.65 59.77 1dfq h LYS 1143Cb 1.17 0.09 -0.20 0.00 -0.60 0.00 0.00 32.23 32.70 1dfq h LYS 1143CO 0.59 -0.27 0.94 -0.80 -3.45 0.00 0.00 179.45 176.45 1dfq s ASN 1144N -4.97 -0.04 0.55 4.20 0.01 -1.26 -4.99 114.94 108.43 1dfq s ASN 1144Ca -0.15 0.00 -0.22 0.00 -0.71 0.00 0.00 52.86 51.78 1dfq s ASN 1144Cb 0.10 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.76 1dfq s ASN 1144CO 0.64 -0.08 1.37 -0.38 -1.51 0.00 0.00 177.10 177.14 1dfq n ILE 1145N -0.03 3.85 0.00 0.60 2.08 -1.26 -1.46 119.36 123.14 1dfq n ILE 1145Ca 0.04 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.85 1dfq n ILE 1145Cb 0.57 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 1dfq n ILE 1145CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1dfq n THR 1146N -1.03 0.00 -0.39 1.39 -2.24 1.13 -4.98 114.28 108.16 1dfq n THR 1146Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1dfq n THR 1146Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1dfq n THR 1146CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dfq n ASP 1147N 1.79 -0.09 -4.98 3.42 8.00 -0.54 -3.75 116.55 120.42 1dfq n ASP 1147Ca 0.00 -0.39 -0.19 0.00 0.71 0.00 0.00 54.79 54.92 1dfq n ASP 1147Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1dfq n ASP 1147CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1dfq s TYR 1148N -0.43 2.47 0.11 1.24 1.13 -1.26 -1.22 117.35 119.39 1dfq s TYR 1148Ca 0.00 -0.35 0.10 0.00 -1.41 0.00 0.00 57.07 55.42 1dfq s TYR 1148Cb 0.00 -2.50 -0.04 0.00 -1.10 0.00 0.00 41.96 38.32 1dfq s TYR 1148CO 0.00 -0.78 -0.26 -1.64 -2.51 0.00 0.00 175.55 170.36 1dfq s MET 1149N -4.58 1.51 0.08 -3.49 -1.94 -1.26 0.76 119.30 110.38 1dfq s MET 1149Ca 0.58 -1.29 -0.17 0.00 -1.71 0.00 0.00 55.69 53.09 1dfq s MET 1149Cb -0.09 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 34.85 1dfq s MET 1149CO 0.36 0.46 0.42 1.52 -0.01 0.00 0.00 175.02 177.77 1dfq s TYR 1150N -1.03 -0.25 0.44 -0.03 1.13 -0.61 0.10 117.35 117.10 1dfq s TYR 1150Ca 0.14 0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.67 1dfq s TYR 1150Cb -0.10 0.25 -0.09 0.00 -1.10 0.00 0.00 41.96 40.92 1dfq s TYR 1150CO 0.06 -0.64 1.06 -0.51 -2.51 0.00 0.00 175.55 173.01 1dfq s LEU 1151N -2.37 4.00 0.06 -3.49 1.43 -0.46 -0.70 118.68 117.16 1dfq s LEU 1151Ca -0.01 2.02 -0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1dfq s LEU 1151Cb 0.00 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 1dfq s LEU 1151CO -0.07 -0.67 0.05 0.42 0.23 0.00 0.00 176.35 176.32 1dfq s THR 1152N -1.78 0.19 0.12 5.49 -4.23 -0.36 -4.65 115.64 110.42 1dfq s THR 1152Ca 0.63 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 1dfq s THR 1152Cb -0.20 -1.43 -0.06 0.00 1.34 0.00 0.00 72.50 72.15 1dfq s THR 1152CO 0.25 -0.86 1.12 0.20 -0.54 0.00 0.00 174.62 174.79 1dfq s ASN 1153N -2.86 7.21 -0.07 3.99 0.01 -1.26 0.21 114.94 122.16 1dfq s ASN 1153Ca 0.06 2.02 -0.23 0.00 -0.71 0.00 0.00 52.86 54.00 1dfq s ASN 1153Cb 0.06 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1dfq s ASN 1153CO -0.10 -0.31 0.69 0.00 -1.51 0.00 0.00 177.10 175.87 1dfq s ALA 1154N 0.32 3.34 1.11 0.60 0.00 -0.14 -4.80 121.76 122.20 1dfq s ALA 1154Ca 0.53 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1dfq s ALA 1154Cb -0.29 -2.94 0.20 0.00 0.00 0.00 0.00 23.12 20.09 1dfq s ALA 1154CO 0.32 -0.10 0.68 -0.35 0.00 0.00 0.00 175.76 176.31 1dfq n PRO 1155N 3.78 -1.79 -4.41 0.00 -0.04 -1.26 -4.67 135.00 126.62 1dfq n PRO 1155Ca -0.02 -0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 62.65 1dfq n PRO 1155Cb 0.51 -2.03 -0.11 0.00 -0.04 0.00 0.00 33.50 31.84 1dfq n PRO 1155CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1dfq s SER 1156N -2.23 4.18 -0.10 3.54 1.04 -1.26 -0.16 113.70 118.71 1dfq s SER 1156Ca 0.64 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.66 1dfq s SER 1156Cb -0.21 -0.76 0.04 0.00 0.10 0.00 0.00 66.02 65.18 1dfq s SER 1156CO 0.65 0.22 0.02 -0.47 0.98 0.00 0.00 173.24 174.63 1dfq s TYR 1157N -1.08 0.65 0.02 5.02 5.04 -1.26 -4.92 117.35 120.82 1dfq s TYR 1157Ca 0.18 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1dfq s TYR 1157Cb -0.11 -0.81 -0.02 0.00 0.35 0.00 0.00 41.96 41.37 1dfq s TYR 1157CO 0.10 -0.38 -0.03 0.95 -1.34 0.00 0.00 175.55 174.85 1dfq s THR 1158N 1.98 0.13 -0.32 4.34 -4.23 -1.26 -2.30 115.64 113.97 1dfq s THR 1158Ca 0.04 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1dfq s THR 1158Cb -0.13 -0.31 0.14 0.00 1.34 0.00 0.00 72.50 73.54 1dfq s THR 1158CO -0.06 -0.51 0.29 0.21 -0.54 0.00 0.00 174.62 174.01 1dfq s ASN 1159N -1.51 1.96 0.08 3.99 3.84 0.08 -5.01 114.94 118.36 1dfq s ASN 1159Ca -0.15 -1.29 -0.37 0.00 0.21 0.00 0.00 52.86 51.27 1dfq s ASN 1159Cb -0.09 0.28 -0.19 0.00 -0.55 0.00 0.00 41.25 40.70 1dfq s ASN 1159CO -0.01 -0.35 1.56 1.23 -2.79 0.00 0.00 177.10 176.75 1dfq h GLY 1160N 7.74 -1.33 -0.79 1.21 0.00 -1.97 1.28 103.07 109.21 1dfq h GLY 1160Ca -0.06 0.57 0.28 0.00 0.00 0.00 0.00 47.33 48.13 1dfq h GLY 1160CO 0.30 -0.43 0.19 1.70 0.00 0.00 0.00 176.54 178.30 1dfq h LYS 1161N -1.15 0.07 -0.01 4.80 3.64 -1.96 0.24 116.57 122.20 1dfq h LYS 1161Ca -0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1dfq h LYS 1161Cb 0.95 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1dfq h LYS 1161CO 0.04 0.05 -0.53 1.28 -2.27 0.00 0.00 179.45 178.02 1dfq n LEU 1162N -5.36 1.31 -2.64 5.20 4.77 -0.76 -4.98 117.00 114.54 1dfq n LEU 1162Ca 0.25 -0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 1dfq n LEU 1162Cb 0.82 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.90 1dfq n LEU 1162CO -0.01 0.26 0.12 -3.20 -1.33 0.00 0.00 177.39 173.23 1dfq n ASN 1163N -0.73 -3.31 -3.94 -1.43 5.15 0.43 -5.02 115.26 106.41 1dfq n ASN 1163Ca 0.08 -0.40 -0.16 0.00 -0.60 0.00 0.00 54.58 53.50 1dfq n ASN 1163Cb 0.39 -3.63 -0.15 0.00 -0.53 0.00 0.00 39.78 35.86 1dfq n ASN 1163CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1dfq s ILE 1164N -3.23 0.38 0.23 -1.44 -4.36 -1.02 -4.58 121.20 107.18 1dfq s ILE 1164Ca 0.17 -0.17 -0.15 0.00 -0.26 0.00 0.00 60.65 60.24 1dfq s ILE 1164Cb -0.08 -0.34 0.01 0.00 1.25 0.00 0.00 42.46 43.30 1dfq s ILE 1164CO 0.50 0.12 0.50 -0.72 0.24 0.00 0.00 174.94 175.58 1dfq s TYR 1165N 0.07 0.18 -0.28 1.37 1.13 -0.61 -0.74 117.35 118.47 1dfq s TYR 1165Ca -0.00 -0.55 -0.31 0.00 -1.41 0.00 0.00 57.07 54.80 1dfq s TYR 1165Cb -0.04 0.29 0.19 0.00 -1.10 0.00 0.00 41.96 41.29 1dfq s TYR 1165CO -0.00 -0.99 1.35 1.52 -2.51 0.00 0.00 175.55 174.92 1dfq s TYR 1166N -3.97 -0.04 0.48 -3.49 -0.85 -0.97 -0.82 117.35 107.68 1dfq s TYR 1166Ca 0.17 0.07 -0.22 0.00 -0.52 0.00 0.00 57.07 56.57 1dfq s TYR 1166Cb -0.01 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 42.75 1dfq s TYR 1166CO 0.05 -0.05 1.17 -0.98 -1.52 0.00 0.00 175.55 174.23 1dfq s ARG 1167N -1.19 3.64 0.27 -3.49 1.04 -1.26 -4.02 118.95 113.94 1dfq s ARG 1167Ca 0.09 1.78 -0.28 0.00 -1.04 0.00 0.00 55.73 56.28 1dfq s ARG 1167Cb -0.01 -2.33 -0.09 0.00 -2.04 0.00 0.00 34.95 30.48 1dfq s ARG 1167CO -0.07 -0.65 0.93 1.03 -0.04 0.00 0.00 175.30 176.50 1dfq s ARG 1168N -2.81 4.69 0.78 3.89 0.52 0.77 -4.89 118.95 121.90 1dfq s ARG 1168Ca 0.66 1.37 -0.04 0.00 -0.52 0.00 0.00 55.73 57.20 1dfq s ARG 1168Cb -0.29 -3.04 0.16 0.00 0.52 0.00 0.00 34.95 32.31 1dfq s ARG 1168CO 0.34 0.41 1.06 1.28 0.02 0.00 0.00 175.30 178.41 1dfq n LEU 1169N 1.03 0.00 -0.78 2.53 4.77 -1.26 -4.63 117.00 118.66 1dfq n LEU 1169Ca -0.00 -1.93 -0.10 0.00 -0.03 0.00 0.00 56.01 53.94 1dfq n LEU 1169Cb 0.49 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1dfq n LEU 1169CO 0.47 -1.09 -0.10 -1.22 -1.33 0.00 0.00 177.39 174.13 1dfq n TYR 1170N -3.06 0.00 -4.02 -1.77 4.01 -1.26 -4.96 117.16 106.10 1dfq n TYR 1170Ca 0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 1dfq n TYR 1170Cb 0.58 -2.38 -0.03 0.00 -0.31 0.00 0.00 39.34 37.20 1dfq n TYR 1170CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1dfq s ASN 1171N -2.51 5.88 0.00 7.72 0.01 -1.26 -5.00 114.94 119.78 1dfq s ASN 1171Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1dfq s ASN 1171Cb 0.00 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1dfq s ASN 1171CO 0.00 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1dfq n GLY 1172N -1.30 -1.03 3.77 0.66 0.00 -1.26 -4.81 105.19 101.21 1dfq n GLY 1172Ca -0.08 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 1dfq n GLY 1172CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dfq s LEU 1173N 0.00 4.43 -0.03 0.99 1.43 -1.12 -5.01 118.68 119.38 1dfq s LEU 1173Ca 0.00 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 1dfq s LEU 1173Cb 0.00 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 1dfq s LEU 1173CO 0.00 0.00 0.46 -0.54 0.23 0.00 0.00 176.35 176.51 1dfq s LYS 1174N -1.79 4.12 0.06 1.70 1.02 -1.26 -3.81 119.74 119.79 1dfq s LYS 1174Ca 0.47 0.48 0.05 0.00 0.02 0.00 0.00 55.97 57.00 1dfq s LYS 1174Cb -0.21 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1dfq s LYS 1174CO 0.26 0.49 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.98 1dfq s PHE 1175N -0.49 1.26 -0.03 3.18 0.40 0.20 -2.06 117.98 120.44 1dfq s PHE 1175Ca 0.25 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1dfq s PHE 1175Cb -0.17 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1dfq s PHE 1175CO 0.13 0.06 -0.11 0.42 0.70 0.00 0.00 175.22 176.42 1dfq s ILE 1176N -1.15 0.97 -0.27 0.64 1.01 0.28 -1.62 121.20 121.07 1dfq s ILE 1176Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1dfq s ILE 1176Cb -0.09 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1dfq s ILE 1176CO 0.02 0.30 0.25 -0.63 0.00 0.00 0.00 174.94 174.88 1dfq s ILE 1177N 0.22 5.27 0.27 2.92 1.01 -1.26 -1.66 121.20 127.97 1dfq s ILE 1177Ca -0.05 0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1dfq s ILE 1177Cb -0.10 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1dfq s ILE 1177CO 0.01 0.23 0.35 -0.54 0.00 0.00 0.00 174.94 174.99 1dfq s LYS 1178N 1.78 3.22 0.08 2.79 1.02 -0.67 -2.08 119.74 125.88 1dfq s LYS 1178Ca 0.10 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1dfq s LYS 1178Cb -0.16 -2.78 -0.06 0.00 -0.52 0.00 0.00 37.83 34.31 1dfq s LYS 1178CO 0.10 0.31 0.76 1.03 -0.92 0.00 0.00 175.35 176.63 1dfq s ARG 1179N -4.00 4.50 -0.03 1.68 0.52 -1.26 -1.45 118.95 118.90 1dfq s ARG 1179Ca 0.37 1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 56.49 1dfq s ARG 1179Cb -0.09 -3.32 -0.32 0.00 0.52 0.00 0.00 34.95 31.74 1dfq s ARG 1179CO 0.29 0.39 0.82 -0.92 0.02 0.00 0.00 175.30 175.90 1dfq h TYR 1180N 5.19 0.71 -5.16 -0.53 3.20 -1.82 -3.45 116.97 115.12 1dfq h TYR 1180Ca -0.45 -0.52 -0.48 0.00 3.14 0.00 0.00 58.73 60.41 1dfq h TYR 1180Cb 1.21 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 1dfq h TYR 1180CO 0.65 1.52 -0.29 0.25 -1.64 0.00 0.00 178.16 178.65 1dfq n THR 1181N -3.84 0.00 0.00 1.81 -2.24 -1.26 -5.02 114.28 103.72 1dfq n THR 1181Ca -0.19 -1.79 0.06 0.00 -2.27 0.00 0.00 64.05 59.86 1dfq n THR 1181Cb 0.99 0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 1dfq n THR 1181CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1dfq n PRO 1182N -1.26 0.65 -1.99 -0.78 -0.04 -1.26 -4.98 135.00 125.34 1dfq n PRO 1182Ca -0.09 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 1dfq n PRO 1182Cb 0.50 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1dfq n PRO 1182CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1dfq n ASN 1183N -2.50 5.93 0.08 3.54 4.05 -1.26 -4.19 115.26 120.90 1dfq n ASN 1183Ca -0.09 -2.99 0.00 0.00 0.45 0.00 0.00 54.58 51.95 1dfq n ASN 1183Cb 0.70 -1.50 0.00 0.00 1.23 0.00 0.00 39.78 40.21 1dfq n ASN 1183CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1dfq n ASN 1184N 3.86 -0.21 -0.85 1.20 3.02 -1.26 -5.17 115.26 115.85 1dfq n ASN 1184Ca 0.52 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 1dfq n ASN 1184Cb 0.33 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1dfq n ASN 1184CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dfq n GLU 1185N -3.00 0.00 -2.62 3.52 1.02 -1.26 -4.99 120.64 113.30 1dfq n GLU 1185Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1dfq n GLU 1185Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1dfq n GLU 1185CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1dfq s ILE 1186N -2.35 3.88 -0.25 -3.67 1.09 -1.26 -4.88 121.20 113.76 1dfq s ILE 1186Ca 0.00 0.28 -0.11 0.00 -1.10 0.00 0.00 60.65 59.72 1dfq s ILE 1186Cb 0.00 -4.85 -0.05 0.00 -1.06 0.00 0.00 42.46 36.50 1dfq s ILE 1186CO 0.00 -1.73 0.17 -1.81 -0.10 0.00 0.00 174.94 171.47 1dfq s ASP 1187N 3.66 6.10 0.14 3.58 1.01 -1.26 -4.98 116.67 124.92 1dfq s ASP 1187Ca 0.33 0.09 0.15 0.00 0.71 0.00 0.00 52.55 53.82 1dfq s ASP 1187Cb -0.10 -2.11 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 1dfq s ASP 1187CO 0.15 0.04 1.09 0.77 0.21 0.00 0.00 175.17 177.43 1dfq h SER 1188N 7.68 0.00 -3.54 0.27 4.64 -1.94 -3.47 113.55 117.19 1dfq h SER 1188Ca -0.37 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.42 1dfq h SER 1188Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1dfq h SER 1188CO 0.64 0.64 0.16 0.72 -0.87 0.00 0.00 176.83 178.11 1dfq s PHE 1189N -2.88 3.83 0.37 4.77 -0.71 -1.26 0.05 117.98 122.15 1dfq s PHE 1189Ca -0.00 1.57 -0.24 0.00 -1.04 0.00 0.00 56.93 57.21 1dfq s PHE 1189Cb 0.08 -2.73 -0.10 0.00 -1.21 0.00 0.00 43.02 39.07 1dfq s PHE 1189CO 0.79 0.46 0.97 0.08 -1.34 0.00 0.00 175.22 176.18 1dfq s VAL 1190N -1.26 4.13 0.00 -2.49 1.01 0.03 -4.82 120.40 117.01 1dfq s VAL 1190Ca 0.38 1.62 0.06 0.00 0.00 0.00 0.00 61.98 64.04 1dfq s VAL 1190Cb -0.21 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1dfq s VAL 1190CO 0.24 -0.00 -0.16 -0.54 0.00 0.00 0.00 175.10 174.64 1dfq s LYS 1191N -2.44 2.26 0.11 2.72 1.02 -1.26 -2.89 119.74 119.27 1dfq s LYS 1191Ca 0.55 -0.86 -0.33 0.00 0.02 0.00 0.00 55.97 55.35 1dfq s LYS 1191Cb -0.17 -2.26 -0.12 0.00 -0.52 0.00 0.00 37.83 34.75 1dfq s LYS 1191CO 0.22 0.57 1.73 -1.13 -0.92 0.00 0.00 175.35 175.83 1dfq n SER 1192N 1.87 3.58 0.00 2.83 3.41 -0.33 -0.14 113.62 124.84 1dfq n SER 1192Ca -0.16 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1dfq n SER 1192Cb 0.52 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1dfq n SER 1192CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dfq n GLY 1193N 3.92 0.95 3.74 5.00 0.00 0.75 -4.96 105.19 114.59 1dfq n GLY 1193Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1dfq n GLY 1193CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dfq s ASP 1194N -1.81 4.73 -0.12 1.61 1.01 0.80 -4.68 116.67 118.23 1dfq s ASP 1194Ca 0.00 2.54 -0.10 0.00 0.71 0.00 0.00 52.55 55.70 1dfq s ASP 1194Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1dfq s ASP 1194CO 0.00 -1.91 0.22 -0.36 0.21 0.00 0.00 175.17 173.33 1dfq s PHE 1195N -1.49 3.57 0.34 4.23 0.08 -1.26 -1.11 117.98 122.34 1dfq s PHE 1195Ca 0.81 0.61 0.04 0.00 0.12 0.00 0.00 56.93 58.50 1dfq s PHE 1195Cb -0.35 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 1dfq s PHE 1195CO 0.38 0.55 0.36 0.96 -0.10 0.00 0.00 175.22 177.38 1dfq s ILE 1196N -0.53 0.00 -0.02 0.64 -4.36 0.02 -3.29 121.20 113.65 1dfq s ILE 1196Ca 0.16 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 1dfq s ILE 1196Cb -0.13 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 1dfq s ILE 1196CO 0.05 0.00 -0.13 -0.54 0.24 0.00 0.00 174.94 174.56 1dfq s LYS 1197N -3.24 1.22 -0.11 0.37 1.02 -0.53 -1.81 119.74 116.66 1dfq s LYS 1197Ca 0.37 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 1dfq s LYS 1197Cb 0.01 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1dfq s LYS 1197CO 0.25 0.22 0.07 -1.17 -0.92 0.00 0.00 175.35 173.80 1dfq s LEU 1198N -0.05 3.98 0.14 3.17 2.96 -1.26 -1.66 118.68 125.96 1dfq s LEU 1198Ca 0.00 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 1dfq s LEU 1198Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1dfq s LEU 1198CO 0.00 0.39 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.99 1dfq s TYR 1199N -0.91 1.34 -0.12 5.38 1.51 -0.67 -1.12 117.35 122.77 1dfq s TYR 1199Ca 0.14 -0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1dfq s TYR 1199Cb -0.12 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1dfq s TYR 1199CO 0.03 0.13 -0.04 0.08 -1.11 0.00 0.00 175.55 174.64 1dfq s VAL 1200N -2.91 3.89 -1.01 0.71 1.01 -0.33 -0.56 120.40 121.20 1dfq s VAL 1200Ca 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1dfq s VAL 1200Cb -0.00 -2.66 0.31 0.00 0.00 0.00 0.00 36.38 34.03 1dfq s VAL 1200CO 0.02 0.54 1.52 -0.24 0.00 0.00 0.00 175.10 176.95 1dfq n SER 1201N 2.90 6.47 -4.25 3.32 2.88 -0.88 -1.47 113.62 122.60 1dfq n SER 1201Ca -0.18 -3.52 -0.43 0.00 -1.33 0.00 0.00 58.87 53.41 1dfq n SER 1201Cb 0.53 -1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1dfq n SER 1201CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfq s TYR 1202N -3.30 3.38 0.00 0.66 6.14 -1.23 -4.46 117.35 118.55 1dfq s TYR 1202Ca 0.35 -1.69 0.00 0.00 0.64 0.00 0.00 57.07 56.37 1dfq s TYR 1202Cb 0.11 -3.63 0.00 0.00 0.42 0.00 0.00 41.96 38.86 1dfq s TYR 1202CO 0.02 -1.00 0.00 -1.71 0.64 0.00 0.00 175.55 173.50 1dfq n ASN 1203N 4.94 -1.53 0.00 4.32 5.15 -1.26 -3.86 115.26 123.02 1dfq n ASN 1203Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1dfq n ASN 1203Cb 0.41 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 1dfq n ASN 1203CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1dfq n ASN 1204N 0.14 0.00 -4.90 1.20 4.05 -1.26 -4.92 115.26 109.56 1dfq n ASN 1204Ca 0.00 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.74 1dfq n ASN 1204Cb 0.38 -0.39 0.08 0.00 1.23 0.00 0.00 39.78 41.08 1dfq n ASN 1204CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1dfq s ASN 1205N -1.31 4.61 -0.09 1.20 0.01 -1.25 -5.09 114.94 113.01 1dfq s ASN 1205Ca 0.00 0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.92 1dfq s ASN 1205Cb 0.00 -1.29 0.02 0.00 0.41 0.00 0.00 41.25 40.39 1dfq s ASN 1205CO 0.00 -1.82 -0.13 -1.61 -1.51 0.00 0.00 177.10 172.02 1dfq s GLU 1206N -5.51 1.93 -0.14 -0.60 2.02 -1.26 -3.46 118.70 111.68 1dfq s GLU 1206Ca 0.61 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1dfq s GLU 1206Cb -0.11 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1dfq s GLU 1206CO 0.48 -0.07 -0.14 -1.01 0.02 0.00 0.00 175.26 174.54 1dfq s HIS 1207N 1.00 2.13 0.52 1.61 3.76 -0.54 -4.96 115.29 118.80 1dfq s HIS 1207Ca -0.07 -1.15 -0.20 0.00 -0.15 0.00 0.00 55.06 53.48 1dfq s HIS 1207Cb -0.15 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 31.91 1dfq s HIS 1207CO -0.01 -0.63 1.11 -1.50 -0.85 0.00 0.00 174.74 172.86 1dfq s ILE 1208N 1.37 3.33 -0.21 0.60 2.07 -1.26 -1.19 121.20 125.91 1dfq s ILE 1208Ca 0.02 0.85 -0.13 0.00 -1.41 0.00 0.00 60.65 59.99 1dfq s ILE 1208Cb -0.13 -3.36 -0.05 0.00 0.13 0.00 0.00 42.46 39.05 1dfq s ILE 1208CO -0.09 -0.16 0.26 -0.69 -1.91 0.00 0.00 174.94 172.36 1dfq s VAL 1209N -1.80 5.30 0.00 4.00 1.01 -0.28 -1.03 120.40 127.61 1dfq s VAL 1209Ca 0.70 0.41 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1dfq s VAL 1209Cb -0.22 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1dfq s VAL 1209CO 0.26 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1dfq n GLY 1210N 3.97 3.06 2.83 4.51 0.00 -0.64 -4.64 105.19 114.28 1dfq n GLY 1210Ca -0.12 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1dfq n GLY 1210CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dfq s TYR 1211N -3.14 1.06 0.14 1.61 5.04 -0.82 0.67 117.35 121.92 1dfq s TYR 1211Ca 0.00 -0.46 -0.30 0.00 -2.44 0.00 0.00 57.07 53.87 1dfq s TYR 1211Cb 0.00 -1.01 -0.07 0.00 0.35 0.00 0.00 41.96 41.23 1dfq s TYR 1211CO 0.00 -0.43 1.04 -1.25 -1.34 0.00 0.00 175.55 173.57 1dfq s PRO 1212N 1.85 4.64 -0.43 4.97 0.04 -1.26 0.77 135.00 145.58 1dfq s PRO 1212Ca 0.05 1.59 -0.43 0.00 0.04 0.00 0.00 61.00 62.25 1dfq s PRO 1212Cb -0.13 -3.33 -0.18 0.00 0.04 0.00 0.00 34.50 30.91 1dfq s PRO 1212CO -0.07 0.13 1.87 1.17 0.04 0.00 0.00 177.00 180.15 1dfq n LYS 1213N 2.61 0.39 -1.61 4.56 0.00 -0.64 0.46 118.16 123.93 1dfq n LYS 1213Ca 0.03 0.13 -0.07 0.00 0.00 0.00 0.00 58.31 58.40 1dfq n LYS 1213Cb 0.48 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 1dfq n LYS 1213CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dfq n ASP 1214N 6.08 -3.32 -4.85 3.14 8.00 -1.26 -4.87 116.55 119.47 1dfq n ASP 1214Ca 0.39 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.66 1dfq n ASP 1214Cb 0.02 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.12 39.14 1dfq n ASP 1214CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dfq s GLY 1215N -2.82 1.95 0.01 0.44 0.00 0.17 -4.97 107.32 102.10 1dfq s GLY 1215Ca 0.00 0.10 -0.40 0.00 0.00 0.00 0.00 44.72 44.42 1dfq s GLY 1215CO 0.00 0.37 1.11 -2.01 0.00 0.00 0.00 173.10 172.57 1dfq n ASN 1216N -1.90 0.21 -4.06 1.64 4.05 -1.26 -4.80 115.26 109.15 1dfq n ASN 1216Ca 0.06 1.16 -0.09 0.00 0.45 0.00 0.00 54.58 56.15 1dfq n ASN 1216Cb 0.54 -0.95 -0.09 0.00 1.23 0.00 0.00 39.78 40.51 1dfq n ASN 1216CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1dfq s ALA 1217N 0.09 0.45 0.20 5.20 0.00 -1.26 -2.73 121.76 123.70 1dfq s ALA 1217Ca 0.90 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1dfq s ALA 1217Cb -1.23 0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 1dfq s ALA 1217CO 0.56 -0.55 0.66 -0.06 0.00 0.00 0.00 175.76 176.37 1dfq s PHE 1218N -4.00 3.63 0.00 0.00 0.08 -0.39 -4.85 117.98 112.45 1dfq s PHE 1218Ca 0.19 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1dfq s PHE 1218Cb 0.06 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1dfq s PHE 1218CO -0.00 0.36 0.00 -1.71 -0.10 0.00 0.00 175.22 173.77 1dfq n ASN 1219N 0.73 0.00 0.00 1.36 5.15 -1.26 0.85 115.26 122.09 1dfq n ASN 1219Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1dfq n ASN 1219Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1dfq n ASN 1219CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1dfq n ASN 1220N -1.19 0.00 -0.47 1.20 6.94 -1.26 -4.66 115.26 115.81 1dfq n ASN 1220Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 1dfq n ASN 1220Cb 0.00 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1dfq n ASN 1220CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dfq n LEU 1221N -1.18 -1.12 -4.59 -4.53 4.32 0.25 -5.03 117.00 105.11 1dfq n LEU 1221Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1dfq n LEU 1221Cb 0.10 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 1dfq n LEU 1221CO 0.00 0.00 0.89 -1.81 -1.22 0.00 0.00 177.39 175.25 1dfq s ASP 1222N -2.27 6.63 -0.13 -1.43 1.11 -0.92 -4.75 116.67 114.92 1dfq s ASP 1222Ca 0.00 0.44 -0.29 0.00 0.18 0.00 0.00 52.55 52.87 1dfq s ASP 1222Cb 0.00 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.46 1dfq s ASP 1222CO 0.00 -1.08 1.41 -0.13 1.18 0.00 0.00 175.17 176.55 1dfq s ARG 1223N 3.98 4.21 0.13 8.23 1.81 0.13 -1.26 118.95 136.18 1dfq s ARG 1223Ca 0.43 1.85 -0.31 0.00 -1.72 0.00 0.00 55.73 55.98 1dfq s ARG 1223Cb -0.09 -3.85 -0.08 0.00 -0.45 0.00 0.00 34.95 30.48 1dfq s ARG 1223CO 0.26 -0.77 1.30 0.42 -0.68 0.00 0.00 175.30 175.83 1dfq s ILE 1224N 3.72 3.50 0.20 1.52 1.01 -1.10 -0.21 121.20 129.84 1dfq s ILE 1224Ca 0.62 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 1dfq s ILE 1224Cb -0.26 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 1dfq s ILE 1224CO 0.20 0.12 0.99 -0.76 0.00 0.00 0.00 174.94 175.50 1dfq s LEU 1225N 0.63 4.57 0.08 2.97 1.43 -1.00 -4.65 118.68 122.71 1dfq s LEU 1225Ca 0.60 1.98 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1dfq s LEU 1225Cb -0.34 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 1dfq s LEU 1225CO 0.33 0.00 -0.13 -0.13 0.23 0.00 0.00 176.35 176.65 1dfq s ARG 1226N -0.81 2.11 -0.20 1.70 1.81 0.21 -4.21 118.95 119.56 1dfq s ARG 1226Ca 0.44 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.42 1dfq s ARG 1226Cb -0.27 -2.27 -0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1dfq s ARG 1226CO 0.33 0.52 -0.06 0.08 -0.68 0.00 0.00 175.30 175.49 1dfq s VAL 1227N -1.09 3.28 -1.04 3.52 1.01 -0.36 -1.62 120.40 124.10 1dfq s VAL 1227Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1dfq s VAL 1227Cb -0.11 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1dfq s VAL 1227CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1dfq n GLY 1228N 4.57 1.12 3.73 4.51 0.00 -0.20 0.36 105.19 119.29 1dfq n GLY 1228Ca -0.18 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1dfq n GLY 1228CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1dfq n TYR 1229N -2.66 2.77 -2.59 1.61 4.19 -1.26 -4.25 117.16 114.96 1dfq n TYR 1229Ca -0.10 0.25 -0.01 0.00 3.31 0.00 0.00 57.90 61.35 1dfq n TYR 1229Cb 0.35 -2.59 0.05 0.00 0.49 0.00 0.00 39.34 37.64 1dfq n TYR 1229CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 1dfq n ASN 1230N 2.38 0.14 -4.70 2.98 6.94 -1.26 -5.05 115.26 116.69 1dfq n ASN 1230Ca 0.10 -2.07 -0.42 0.00 -0.02 0.00 0.00 54.58 52.16 1dfq n ASN 1230Cb 0.36 0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 1dfq n ASN 1230CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dfq s ALA 1231N -1.30 3.71 0.45 -2.53 0.00 -1.26 -4.90 121.76 115.92 1dfq s ALA 1231Ca 0.19 1.24 -0.25 0.00 0.00 0.00 0.00 51.96 53.14 1dfq s ALA 1231Cb 0.32 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1dfq s ALA 1231CO -0.08 -0.96 1.43 -1.25 0.00 0.00 0.00 175.76 174.89 1dfq s PRO 1232N 2.04 3.71 0.00 0.00 0.04 -1.26 -3.03 135.00 136.50 1dfq s PRO 1232Ca 0.72 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.17 1dfq s PRO 1232Cb -0.41 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1dfq s PRO 1232CO 0.32 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1dfq n GLY 1233N 0.58 2.45 3.30 0.56 0.00 -1.26 -5.00 105.19 105.82 1dfq n GLY 1233Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1dfq n GLY 1233CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfq s ILE 1234N -3.03 3.10 0.67 -0.61 1.01 -1.17 -5.08 121.20 116.09 1dfq s ILE 1234Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1dfq s ILE 1234Cb 0.00 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1dfq s ILE 1234CO 0.00 0.47 1.13 -2.16 0.00 0.00 0.00 174.94 174.38 1dfq s PRO 1235N 1.12 2.65 -0.24 2.79 0.04 -1.26 -4.82 135.00 135.29 1dfq s PRO 1235Ca 0.01 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.54 1dfq s PRO 1235Cb -0.14 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1dfq s PRO 1235CO -0.02 -1.38 -0.10 -1.17 0.04 0.00 0.00 177.00 174.37 1dfq s LEU 1236N -4.93 2.90 0.23 -3.56 2.96 -1.26 -1.62 118.68 113.39 1dfq s LEU 1236Ca 0.68 -1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1dfq s LEU 1236Cb -0.22 -1.38 -0.09 0.00 0.50 0.00 0.00 46.19 45.00 1dfq s LEU 1236CO 0.42 -0.18 0.96 -0.31 -1.32 0.00 0.00 176.35 175.92 1dfq s TYR 1237N 1.25 3.92 0.00 5.38 2.02 0.23 -4.85 117.35 125.31 1dfq s TYR 1237Ca -0.06 1.88 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 1dfq s TYR 1237Cb -0.19 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1dfq s TYR 1237CO -0.06 0.31 0.00 0.36 -1.57 0.00 0.00 175.55 174.59 1dfq n LYS 1238N 1.60 0.00 -2.36 -0.62 0.00 -1.26 -1.95 118.16 113.58 1dfq n LYS 1238Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1dfq n LYS 1238Cb 0.47 -0.06 -0.03 0.00 -0.00 0.00 0.00 35.03 35.41 1dfq n LYS 1238CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1dfq s LYS 1239N 0.00 4.42 0.26 -1.58 2.20 -1.26 -4.58 119.74 119.20 1dfq s LYS 1239Ca 0.00 1.86 0.08 0.00 -0.36 0.00 0.00 55.97 57.55 1dfq s LYS 1239Cb 0.00 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1dfq s LYS 1239CO 0.00 -0.26 -0.11 -1.64 -0.36 0.00 0.00 175.35 172.98 1dfq s MET 1240N 0.77 1.52 -0.10 4.03 -1.94 -0.75 -1.86 119.30 120.98 1dfq s MET 1240Ca 0.59 -1.73 0.04 0.00 -1.71 0.00 0.00 55.69 52.87 1dfq s MET 1240Cb -0.32 -1.28 -0.00 0.00 2.01 0.00 0.00 34.83 35.24 1dfq s MET 1240CO 0.31 0.14 -0.24 -2.00 -0.01 0.00 0.00 175.02 173.22 1dfq s GLU 1241N -3.66 3.01 -0.22 2.03 2.12 0.97 -0.80 118.70 122.15 1dfq s GLU 1241Ca 0.28 -0.88 -0.16 0.00 0.36 0.00 0.00 54.97 54.57 1dfq s GLU 1241Cb 0.01 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1dfq s GLU 1241CO 0.11 0.20 0.43 0.00 -0.54 0.00 0.00 175.26 175.46 1dfq s ALA 1242N 0.29 3.56 0.06 6.30 0.00 -0.27 -2.51 121.76 129.19 1dfq s ALA 1242Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1dfq s ALA 1242Cb -0.18 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1dfq s ALA 1242CO 0.08 -0.45 -0.04 0.14 0.00 0.00 0.00 175.76 175.49 1dfq s VAL 1243N 1.65 0.37 -0.31 0.00 -7.23 -0.59 0.27 120.40 114.56 1dfq s VAL 1243Ca 0.19 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1dfq s VAL 1243Cb -0.15 -1.37 0.09 0.00 0.56 0.00 0.00 36.38 35.51 1dfq s VAL 1243CO 0.09 -0.87 0.03 -0.75 -0.31 0.00 0.00 175.10 173.29 1dfq s LYS 1244N -3.47 1.45 -0.06 4.82 2.47 -1.26 -0.91 119.74 122.79 1dfq s LYS 1244Ca 0.05 -1.57 0.15 0.00 -1.56 0.00 0.00 55.97 53.03 1dfq s LYS 1244Cb 0.04 -2.88 -0.22 0.00 -1.46 0.00 0.00 37.83 33.31 1dfq s LYS 1244CO -0.07 -0.86 0.25 1.28 0.16 0.00 0.00 175.35 176.11 1dfq n LEU 1245N 4.43 0.00 -3.99 5.43 4.32 -1.26 -5.05 117.00 120.88 1dfq n LEU 1245Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.89 1dfq n LEU 1245Cb 0.42 0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 42.24 1dfq n LEU 1245CO 0.19 0.10 -0.14 0.00 -1.22 0.00 0.00 177.39 176.33 1dfq s ARG 1246N -2.86 0.97 -0.59 3.23 1.70 -1.26 -5.03 118.95 115.11 1dfq s ARG 1246Ca -0.06 -1.18 -0.04 0.00 -0.47 0.00 0.00 55.73 53.98 1dfq s ARG 1246Cb 0.08 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1dfq s ARG 1246CO 0.62 -0.31 0.60 -3.47 -1.08 0.00 0.00 175.30 171.66 1dfq n ASP 1247N -0.11 -7.23 0.18 -2.89 2.03 -1.26 -4.93 116.55 102.34 1dfq n ASP 1247Ca -0.10 0.08 0.11 0.00 0.52 0.00 0.00 54.79 55.41 1dfq n ASP 1247Cb 0.63 -4.88 0.59 0.00 -0.72 0.00 0.00 41.12 36.74 1dfq n ASP 1247CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1dfq h LEU 1248N 0.78 0.00 0.00 -2.67 5.85 -1.99 -2.81 115.31 114.47 1dfq h LEU 1248Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1dfq h LEU 1248Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1dfq h LEU 1248CO 0.24 0.00 -0.69 0.29 -0.34 0.00 0.00 178.44 177.95 1dfq n LYS 1249N -2.30 2.48 -3.59 1.25 5.02 -1.26 -4.94 118.16 114.82 1dfq n LYS 1249Ca -0.01 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1dfq n LYS 1249Cb 0.12 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1dfq n LYS 1249CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1dfq s THR 1250N -2.29 5.11 -1.41 -0.18 2.01 -1.06 -4.95 115.64 112.86 1dfq s THR 1250Ca 0.04 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1dfq s THR 1250Cb 0.10 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 69.04 1dfq s THR 1250CO 0.55 0.27 2.38 -1.22 -0.69 0.00 0.00 174.62 175.90 1dfq n TYR 1251N 0.83 2.77 -4.35 4.92 4.01 -1.26 -4.90 117.16 119.19 1dfq n TYR 1251Ca -0.08 -2.90 -0.20 0.00 -0.16 0.00 0.00 57.90 54.56 1dfq n TYR 1251Cb 0.52 -2.13 -0.10 0.00 -0.31 0.00 0.00 39.34 37.32 1dfq n TYR 1251CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1dfq s SER 1252N 1.35 2.68 0.38 7.72 1.04 -1.26 -4.41 113.70 121.20 1dfq s SER 1252Ca 0.53 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 56.07 1dfq s SER 1252Cb 0.15 -0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.05 1dfq s SER 1252CO -0.06 -0.11 -0.02 -0.69 0.98 0.00 0.00 173.24 173.33 1dfq s VAL 1253N -2.67 2.16 0.04 5.02 1.01 0.16 -4.85 120.40 121.28 1dfq s VAL 1253Ca 0.21 -2.07 0.06 0.00 0.00 0.00 0.00 61.98 60.18 1dfq s VAL 1253Cb -0.03 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1dfq s VAL 1253CO 0.07 -0.10 -0.17 -1.10 0.00 0.00 0.00 175.10 173.80 1dfq s GLN 1254N -3.68 1.15 -0.11 2.72 1.11 -0.09 -0.71 119.66 120.06 1dfq s GLN 1254Ca 0.34 -0.85 0.03 0.00 0.01 0.00 0.00 55.36 54.89 1dfq s GLN 1254Cb 0.06 -1.22 0.01 0.00 -1.01 0.00 0.00 33.01 30.85 1dfq s GLN 1254CO 0.18 0.31 -0.20 -0.51 0.01 0.00 0.00 175.29 175.07 1dfq s LEU 1255N -1.16 1.97 -0.15 2.90 1.43 -1.26 -1.54 118.68 120.88 1dfq s LEU 1255Ca 0.05 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1dfq s LEU 1255Cb -0.08 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1dfq s LEU 1255CO 0.02 0.10 -0.10 -0.75 0.23 0.00 0.00 176.35 175.84 1dfq s LYS 1256N 0.63 3.44 -0.16 1.70 2.20 -1.04 -0.61 119.74 125.91 1dfq s LYS 1256Ca -0.13 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.76 1dfq s LYS 1256Cb -0.16 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1dfq s LYS 1256CO 0.03 0.17 0.11 -1.17 -0.36 0.00 0.00 175.35 174.14 1dfq s LEU 1257N 0.48 4.16 0.42 5.43 2.96 -1.22 -0.02 118.68 130.89 1dfq s LEU 1257Ca -0.08 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1dfq s LEU 1257Cb -0.15 -2.04 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 1dfq s LEU 1257CO 0.04 0.29 0.02 -0.31 -1.32 0.00 0.00 176.35 175.06 1dfq s TYR 1258N -0.29 2.30 0.47 5.38 1.51 -0.78 0.11 117.35 126.05 1dfq s TYR 1258Ca 0.10 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.45 1dfq s TYR 1258Cb -0.12 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1dfq s TYR 1258CO 0.01 0.33 0.30 0.16 -1.11 0.00 0.00 175.55 175.24 1dfq s ASP 1259N -3.71 4.64 0.00 2.29 -4.77 -0.61 -4.09 116.67 110.42 1dfq s ASP 1259Ca 0.29 -1.08 0.00 0.00 -3.30 0.00 0.00 52.55 48.46 1dfq s ASP 1259Cb 0.08 -0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.77 1dfq s ASP 1259CO 0.15 -0.79 0.98 -0.90 0.70 0.00 0.00 175.17 175.31 1dfq n ASP 1260N -1.50 0.00 -1.33 2.11 5.68 -1.26 -1.80 116.55 118.45 1dfq n ASP 1260Ca -0.01 0.48 0.10 0.00 -0.50 0.00 0.00 54.79 54.86 1dfq n ASP 1260Cb 0.64 -0.48 0.31 0.00 -1.14 0.00 0.00 41.12 40.45 1dfq n ASP 1260CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1dfq n LYS 1261N -1.48 3.18 -3.23 0.11 5.02 -1.26 -4.95 118.16 115.54 1dfq n LYS 1261Ca 0.00 -2.68 -0.19 0.00 -2.02 0.00 0.00 58.31 53.41 1dfq n LYS 1261Cb 0.01 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.40 1dfq n LYS 1261CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dfq n ASN 1262N 1.18 -5.56 -4.88 4.39 3.02 -0.75 -5.02 115.26 107.64 1dfq n ASN 1262Ca 0.23 -0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 1dfq n ASN 1262Cb 0.72 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 1dfq n ASN 1262CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dfq s ALA 1263N -3.20 3.87 0.07 5.41 0.00 -1.26 -4.88 121.76 121.78 1dfq s ALA 1263Ca 0.41 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 1dfq s ALA 1263Cb -0.18 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 1dfq s ALA 1263CO 0.51 0.69 1.49 0.45 0.00 0.00 0.00 175.76 178.90 1dfq s SER 1264N -1.58 6.74 0.00 0.00 0.15 -1.26 -1.57 113.70 116.19 1dfq s SER 1264Ca 0.22 2.33 0.22 0.00 0.70 0.00 0.00 55.95 59.42 1dfq s SER 1264Cb -0.12 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.14 1dfq s SER 1264CO 0.13 -0.76 1.45 0.18 1.20 0.00 0.00 173.24 175.44 1dfq n LEU 1265N 4.93 3.23 -0.52 3.45 4.77 0.30 -4.93 117.00 128.23 1dfq n LEU 1265Ca 0.14 -1.48 0.07 0.00 -0.03 0.00 0.00 56.01 54.70 1dfq n LEU 1265Cb 0.42 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1dfq n LEU 1265CO 0.60 0.74 -0.17 0.61 -1.33 0.00 0.00 177.39 177.84 1dfq n GLY 1266N 1.47 -2.24 3.58 -0.72 0.00 -1.21 -2.56 105.19 103.51 1dfq n GLY 1266Ca 0.20 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1dfq n GLY 1266CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dfq n LEU 1267N -3.13 1.96 -4.73 0.99 4.77 -0.84 -3.43 117.00 112.59 1dfq n LEU 1267Ca -0.02 1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 56.63 1dfq n LEU 1267Cb 0.24 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 1dfq n LEU 1267CO 0.01 -1.64 0.65 -0.69 -1.33 0.00 0.00 177.39 174.39 1dfq s VAL 1268N -1.22 4.53 0.00 4.08 1.01 0.22 -1.26 120.40 127.76 1dfq s VAL 1268Ca 0.61 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.63 1dfq s VAL 1268Cb -0.62 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1dfq s VAL 1268CO 0.58 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.61 1dfq n GLY 1269N 2.27 2.28 3.49 4.51 0.00 0.90 -4.44 105.19 114.21 1dfq n GLY 1269Ca 0.02 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1dfq n GLY 1269CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dfq s THR 1270N -1.27 1.02 -0.15 2.61 -4.23 -1.26 -1.67 115.64 110.69 1dfq s THR 1270Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1dfq s THR 1270Cb 0.00 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1dfq s THR 1270CO 0.00 0.00 0.40 -2.28 -0.54 0.00 0.00 174.62 172.20 1dfq s HIS 1271N -3.23 -0.48 0.05 3.99 5.04 -0.70 -4.91 115.29 115.06 1dfq s HIS 1271Ca 0.30 1.12 -0.21 0.00 -1.54 0.00 0.00 55.06 54.74 1dfq s HIS 1271Cb 0.06 0.18 -0.06 0.00 0.04 0.00 0.00 32.58 32.80 1dfq s HIS 1271CO 0.14 -0.24 0.61 1.21 -2.34 0.00 0.00 174.74 174.12 1dfq s ASN 1272N 0.50 7.07 0.00 9.88 3.84 -1.26 -0.75 114.94 134.21 1dfq s ASN 1272Ca -0.02 1.27 0.00 0.00 0.21 0.00 0.00 52.86 54.31 1dfq s ASN 1272Cb -0.04 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 1dfq s ASN 1272CO -0.03 0.19 0.00 0.61 -2.79 0.00 0.00 177.10 175.08 1dfq n GLY 1273N 2.02 -1.13 3.04 1.21 0.00 -0.98 -4.96 105.19 104.39 1dfq n GLY 1273Ca -0.08 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1dfq n GLY 1273CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dfq s GLN 1274N -1.33 0.51 -0.23 1.61 0.00 -1.26 0.78 119.66 119.73 1dfq s GLN 1274Ca 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 55.36 54.76 1dfq s GLN 1274Cb 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 33.01 32.72 1dfq s GLN 1274CO 0.00 0.07 -0.09 0.42 0.00 0.00 0.00 175.29 175.69 1dfq s ILE 1275N -1.05 1.82 0.00 3.63 1.01 -1.26 -5.03 121.20 120.32 1dfq s ILE 1275Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1dfq s ILE 1275Cb -0.08 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1dfq s ILE 1275CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1dfq n GLY 1276N 4.58 0.93 1.65 6.18 0.00 -1.26 -2.97 105.19 114.31 1dfq n GLY 1276Ca -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 1dfq n GLY 1276CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dfq n ASN 1277N 4.25 4.27 -4.88 1.61 3.02 -1.26 -5.00 115.26 117.28 1dfq n ASN 1277Ca 0.00 -3.28 -0.30 0.00 -0.03 0.00 0.00 54.58 50.97 1dfq n ASN 1277Cb 0.00 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.46 1dfq n ASN 1277CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1dfq s ASP 1278N -1.46 6.42 0.91 6.41 1.11 -1.16 -5.04 116.67 123.87 1dfq s ASP 1278Ca 0.51 1.19 -0.12 0.00 0.18 0.00 0.00 52.55 54.31 1dfq s ASP 1278Cb 0.42 -2.36 0.08 0.00 1.07 0.00 0.00 42.92 42.13 1dfq s ASP 1278CO 0.10 -0.55 0.75 -2.65 1.18 0.00 0.00 175.17 174.00 1dfq n PRO 1279N -1.83 -0.27 -1.74 8.23 -0.02 -1.26 -4.55 135.00 133.56 1dfq n PRO 1279Ca 0.03 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1dfq n PRO 1279Cb 0.54 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1dfq n PRO 1279CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1dfq n ASN 1280N -2.47 3.77 -3.97 2.55 2.85 -1.26 -4.65 115.26 112.07 1dfq n ASN 1280Ca 0.09 1.15 -0.08 0.00 -0.11 0.00 0.00 54.58 55.64 1dfq n ASN 1280Cb 0.52 -1.58 -0.09 0.00 1.24 0.00 0.00 39.78 39.87 1dfq n ASN 1280CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1dfq s ARG 1281N -0.66 0.70 -0.58 1.20 0.52 0.23 -4.94 118.95 115.43 1dfq s ARG 1281Ca 0.63 -1.04 -0.19 0.00 -0.52 0.00 0.00 55.73 54.61 1dfq s ARG 1281Cb -0.50 0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.33 1dfq s ARG 1281CO 0.50 -0.18 0.70 -0.51 0.02 0.00 0.00 175.30 175.83 1dfq s ASP 1282N -2.77 6.19 0.03 0.23 1.01 -1.26 -2.32 116.67 117.77 1dfq s ASP 1282Ca 0.04 -1.34 -0.18 0.00 0.71 0.00 0.00 52.55 51.78 1dfq s ASP 1282Cb 0.05 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.62 1dfq s ASP 1282CO -0.10 -1.09 0.51 -0.63 0.21 0.00 0.00 175.17 174.07 1dfq s ILE 1283N 2.72 4.89 0.31 0.77 1.01 0.07 -1.35 121.20 129.62 1dfq s ILE 1283Ca 0.12 1.06 -0.28 0.00 0.00 0.00 0.00 60.65 61.55 1dfq s ILE 1283Cb -0.23 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1dfq s ILE 1283CO 0.07 0.54 1.14 -0.76 0.00 0.00 0.00 174.94 175.93 1dfq s LEU 1284N -0.92 4.46 0.31 2.97 1.43 0.28 -1.72 118.68 125.49 1dfq s LEU 1284Ca 0.27 2.34 -0.13 0.00 -1.03 0.00 0.00 54.13 55.58 1dfq s LEU 1284Cb -0.18 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.34 1dfq s LEU 1284CO 0.16 -0.30 0.62 0.27 0.23 0.00 0.00 176.35 177.33 1dfq s ILE 1285N -1.22 0.00 -0.02 -0.59 -5.25 -0.67 -2.37 121.20 111.07 1dfq s ILE 1285Ca 0.48 -1.24 0.08 0.00 -0.99 0.00 0.00 60.65 58.97 1dfq s ILE 1285Cb -0.33 -2.42 -0.02 0.00 2.95 0.00 0.00 42.46 42.64 1dfq s ILE 1285CO 0.42 0.00 -0.26 0.00 -1.79 0.00 0.00 174.94 173.31 1dfq s ALA 1286N -3.35 2.18 -0.11 2.27 0.00 0.71 -0.07 121.76 123.38 1dfq s ALA 1286Ca 0.19 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1dfq s ALA 1286Cb -0.03 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1dfq s ALA 1286CO 0.11 0.53 0.39 0.45 0.00 0.00 0.00 175.76 177.24 1dfq s SER 1287N -0.65 -0.37 0.00 0.00 0.15 -0.39 0.20 113.70 112.65 1dfq s SER 1287Ca 0.10 0.63 0.26 0.00 0.70 0.00 0.00 55.95 57.64 1dfq s SER 1287Cb -0.10 0.68 0.67 0.00 -1.71 0.00 0.00 66.02 65.57 1dfq s SER 1287CO -0.01 -0.23 1.52 0.59 1.20 0.00 0.00 173.24 176.31 1dfq n ASN 1288N 2.40 1.49 -0.18 5.45 3.02 -1.26 -1.99 115.26 124.19 1dfq n ASN 1288Ca -0.15 -1.26 -0.02 0.00 -0.03 0.00 0.00 54.58 53.12 1dfq n ASN 1288Cb 0.57 0.14 0.08 0.00 -0.61 0.00 0.00 39.78 39.96 1dfq n ASN 1288CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1dfq h TRP 1289N 2.03 0.35 -0.57 3.10 7.01 -1.95 -2.47 115.95 123.46 1dfq h TRP 1289Ca 0.00 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.19 1dfq h TRP 1289Cb 0.59 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1dfq h TRP 1289CO 0.00 0.10 0.44 1.88 -2.79 0.00 0.00 178.44 178.07 1dfq h TYR 1290N 0.38 0.00 0.00 2.65 0.05 -1.94 0.30 116.97 118.41 1dfq h TYR 1290Ca 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1dfq h TYR 1290Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1dfq h TYR 1290CO -0.17 0.00 -0.02 0.74 -1.05 0.00 0.00 178.16 177.66 1dfq h PHE 1291N 0.00 0.00 -0.00 4.88 0.04 -1.73 -1.70 116.94 118.43 1dfq h PHE 1291Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1dfq h PHE 1291Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1dfq h PHE 1291CO 0.00 0.02 -0.15 -1.71 -0.60 0.00 0.00 178.31 175.87 1dfq n ASN 1292N -3.19 0.25 -0.37 2.17 2.85 0.10 -4.11 115.26 112.96 1dfq n ASN 1292Ca -0.01 -0.02 0.08 0.00 -0.11 0.00 0.00 54.58 54.51 1dfq n ASN 1292Cb 0.20 -0.19 0.16 0.00 1.24 0.00 0.00 39.78 41.20 1dfq n ASN 1292CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1dfq n HIS 1293N -1.34 0.00 0.24 1.20 8.25 -0.64 -4.85 115.22 118.09 1dfq n HIS 1293Ca 0.09 -1.18 0.16 0.00 -0.26 0.00 0.00 57.72 56.53 1dfq n HIS 1293Cb 0.31 -0.19 0.87 0.00 1.12 0.00 0.00 29.99 32.10 1dfq n HIS 1293CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dfq h LEU 1294N 0.49 0.00 -0.86 2.41 3.38 -1.71 -1.34 115.31 117.68 1dfq h LEU 1294Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dfq h LEU 1294Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1dfq h LEU 1294CO 0.00 0.00 -0.16 0.29 0.09 0.00 0.00 178.44 178.66 1dfq n LYS 1295N -2.62 1.32 -0.37 1.13 5.02 -1.26 -4.79 118.16 116.59 1dfq n LYS 1295Ca -0.02 -0.86 -0.27 0.00 -2.02 0.00 0.00 58.31 55.14 1dfq n LYS 1295Cb 0.05 -1.48 0.25 0.00 -0.02 0.00 0.00 35.03 33.83 1dfq n LYS 1295CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dfq n ASP 1296N -0.09 -3.39 -0.07 4.39 9.92 -0.51 -4.93 116.55 121.86 1dfq n ASP 1296Ca 0.15 -0.59 -0.21 0.00 -0.53 0.00 0.00 54.79 53.61 1dfq n ASP 1296Cb 0.39 -0.99 -0.12 0.00 -0.64 0.00 0.00 41.12 39.75 1dfq n ASP 1296CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1dfq h LYS 1297N -3.17 0.06 -5.35 -1.24 1.57 -1.93 -3.47 116.57 103.05 1dfq h LYS 1297Ca -0.42 -0.11 -0.62 0.00 -1.87 0.00 0.00 60.65 57.64 1dfq h LYS 1297Cb 1.20 0.04 -0.32 0.00 0.08 0.00 0.00 32.23 33.23 1dfq h LYS 1297CO 0.28 1.05 -0.86 0.42 -0.57 0.00 0.00 179.45 179.77 1dfq s ILE 1298N -2.38 1.69 -0.06 1.86 -1.09 -1.26 -5.08 121.20 114.89 1dfq s ILE 1298Ca -0.25 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.29 1dfq s ILE 1298Cb 0.04 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.49 1dfq s ILE 1298CO 0.65 0.48 0.14 -0.22 -1.23 0.00 0.00 174.94 174.76 1dfq s LEU 1299N 0.18 1.10 0.63 2.97 2.96 -1.26 -5.05 118.68 120.22 1dfq s LEU 1299Ca -0.10 0.28 0.40 0.00 -0.22 0.00 0.00 54.13 54.50 1dfq s LEU 1299Cb -0.15 0.40 2.13 0.00 0.50 0.00 0.00 46.19 49.08 1dfq s LEU 1299CO 0.05 -0.10 2.28 1.23 -1.32 0.00 0.00 176.35 178.49 1dfq h GLY 1300N 6.61 0.00 -2.17 7.98 0.00 -1.97 -2.74 103.07 110.78 1dfq h GLY 1300Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1dfq h GLY 1300CO 0.43 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.97 1dfq s ASP 1302N -0.55 6.41 0.05 0.00 1.01 -1.04 -4.55 116.67 118.00 1dfq s ASP 1302Ca 0.29 0.49 0.07 0.00 0.71 0.00 0.00 52.55 54.10 1dfq s ASP 1302Cb 0.20 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1dfq s ASP 1302CO 0.11 -0.25 -0.19 0.26 0.21 0.00 0.00 175.17 175.31 1dfq s TRP 1303N 2.15 1.63 -0.26 4.23 0.52 0.11 -1.01 118.94 126.31 1dfq s TRP 1303Ca 0.20 -0.38 -0.10 0.00 0.02 0.00 0.00 56.10 55.84 1dfq s TRP 1303Cb -0.16 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1dfq s TRP 1303CO 0.09 0.10 0.17 0.71 0.02 0.00 0.00 176.95 178.03 1dfq s TYR 1304N -0.89 3.24 -0.49 -1.98 2.02 0.45 0.41 117.35 120.11 1dfq s TYR 1304Ca 0.05 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 1dfq s TYR 1304Cb -0.09 -2.32 0.11 0.00 -0.40 0.00 0.00 41.96 39.26 1dfq s TYR 1304CO 0.02 -0.09 0.39 -0.06 -1.57 0.00 0.00 175.55 174.25 1dfq s PHE 1305N 1.46 3.33 -0.33 2.71 0.40 -1.26 -0.80 117.98 123.49 1dfq s PHE 1305Ca 0.07 -1.49 -0.12 0.00 -0.60 0.00 0.00 56.93 54.79 1dfq s PHE 1305Cb -0.15 -3.48 -0.01 0.00 0.51 0.00 0.00 43.02 39.89 1dfq s PHE 1305CO 0.08 -0.95 0.21 0.08 0.70 0.00 0.00 175.22 175.33 1dfq s VAL 1306N 1.49 5.01 0.16 -0.44 1.01 0.11 -0.57 120.40 127.18 1dfq s VAL 1306Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1dfq s VAL 1306Cb -0.27 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1dfq s VAL 1306CO 0.02 0.02 0.53 -2.16 0.00 0.00 0.00 175.10 173.50 1dfq s PRO 1307N 1.68 3.89 0.47 2.72 0.04 -1.26 -0.08 135.00 142.46 1dfq s PRO 1307Ca 0.05 0.37 -0.25 0.00 0.04 0.00 0.00 61.00 61.22 1dfq s PRO 1307Cb -0.17 -2.85 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 1dfq s PRO 1307CO 0.09 0.44 1.41 0.25 0.04 0.00 0.00 177.00 179.23 1dfq n THR 1308N 0.53 3.01 -3.78 1.26 -2.24 -1.26 -5.01 114.28 106.79 1dfq n THR 1308Ca -0.04 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1dfq n THR 1308Cb 0.52 -1.79 -0.10 0.00 -2.10 0.00 0.00 70.33 66.86 1dfq n THR 1308CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dfq s ASP 1309N -0.57 -0.20 0.48 3.42 -1.08 -1.26 -5.01 116.67 112.45 1dfq s ASP 1309Ca 0.63 0.23 0.23 0.00 -0.52 0.00 0.00 52.55 53.12 1dfq s ASP 1309Cb -0.45 0.41 1.24 0.00 -1.46 0.00 0.00 42.92 42.67 1dfq s ASP 1309CO 0.56 -0.31 2.02 1.05 0.52 0.00 0.00 175.17 179.00 1dfq h GLU 1310N 4.59 0.00 0.00 4.34 4.11 -2.04 -1.96 114.58 123.62 1dfq h GLU 1310Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1dfq h GLU 1310Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1dfq h GLU 1310CO 0.37 0.17 -0.03 0.78 0.07 0.00 0.00 179.01 180.36 1dfq h GLY 1311N 0.85 0.00 -7.06 1.06 0.00 -1.95 -3.39 103.07 92.58 1dfq h GLY 1311Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1dfq h GLY 1311CO 0.02 0.00 -0.78 0.86 0.00 0.00 0.00 176.54 176.65 1dfq s TRP 1312N -4.09 1.09 -0.07 5.60 -0.11 -0.74 -0.62 118.94 120.01 1dfq s TRP 1312Ca -0.03 -0.63 0.05 0.00 1.22 0.00 0.00 56.10 56.71 1dfq s TRP 1312Cb 0.12 -1.03 -0.00 0.00 -1.50 0.00 0.00 33.47 31.06 1dfq s TRP 1312CO 0.50 -0.49 -0.22 0.99 -4.62 0.00 0.00 176.95 173.11 1dfq s THR 1313N 1.84 1.83 0.14 5.86 2.01 -1.26 -4.40 115.64 121.65 1dfq s THR 1313Ca 0.02 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 1dfq s THR 1313Cb -0.14 -1.58 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 1dfq s THR 1313CO -0.07 0.51 1.33 0.20 -0.69 0.00 0.00 174.62 175.91 1dfq s ASN 1314N 0.13 6.89 0.00 3.53 0.01 -1.26 -4.98 114.94 119.26 1dfq s ASN 1314Ca -0.10 2.31 0.05 0.00 -0.71 0.00 0.00 52.86 54.41 1dfq s ASN 1314Cb -0.15 -2.59 0.30 0.00 0.41 0.00 0.00 41.25 39.22 1dfq s ASN 1314CO 0.05 -0.58 0.77 0.47 -1.51 0.00 0.00 177.10 176.31