#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpm s ILE 880 N 0.00 1.19 0.30 0.00 -1.09 0.20 -4.96 121.20 116.84 1rpm s ILE 880 Ca 0.00 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 1rpm s ILE 880 Cb 0.00 -1.11 -0.10 0.00 -1.58 0.00 0.00 42.46 39.67 1rpm s ILE 880 CO 0.00 0.38 1.35 -0.13 -1.23 0.00 0.00 174.94 175.31 1rpm s ARG 881 N 0.90 4.32 0.19 2.79 0.52 -1.26 -0.43 118.95 125.98 1rpm s ARG 881 Ca -0.10 2.24 0.11 0.00 -0.52 0.00 0.00 55.73 57.46 1rpm s ARG 881 Cb -0.15 -3.09 0.58 0.00 0.52 0.00 0.00 34.95 32.81 1rpm s ARG 881 CO 0.01 -0.28 1.26 1.33 0.02 0.00 0.00 175.30 177.64 1rpm n VAL 882 N 1.39 1.16 0.32 3.52 0.24 0.02 -0.55 118.33 124.43 1rpm n VAL 882 Ca 0.03 0.65 0.12 0.00 -2.04 0.00 0.00 64.34 63.09 1rpm n VAL 882 Cb 0.41 -1.65 0.10 0.00 -1.47 0.00 0.00 33.84 31.24 1rpm n VAL 882 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rpm h ALA 883 N 1.63 0.61 -0.02 2.33 0.00 -1.88 -3.27 119.26 118.67 1rpm h ALA 883 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rpm h ALA 883 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rpm h ALA 883 CO 0.00 0.00 -0.24 -0.25 0.00 0.00 0.00 179.25 178.76 1rpm n ASP 884 N -2.50 2.17 -0.24 0.00 8.00 0.29 -4.59 116.55 119.67 1rpm n ASP 884 Ca 0.02 -1.58 0.04 0.00 0.71 0.00 0.00 54.79 53.98 1rpm n ASP 884 Cb 0.50 0.28 0.17 0.00 -0.02 0.00 0.00 41.12 42.05 1rpm n ASP 884 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1rpm h LEU 885 N 2.86 0.14 -0.56 0.64 5.85 -1.51 0.12 115.31 122.84 1rpm h LEU 885 Ca 0.00 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1rpm h LEU 885 Cb 0.73 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1rpm h LEU 885 CO 0.00 0.04 0.03 0.25 -0.34 0.00 0.00 178.44 178.42 1rpm h LEU 886 N 0.35 0.95 -0.32 2.25 5.85 -1.82 0.20 115.31 122.77 1rpm h LEU 886 Ca 0.39 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1rpm h LEU 886 Cb 0.62 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1rpm h LEU 886 CO -0.43 1.01 0.01 -0.61 -0.34 0.00 0.00 178.44 178.08 1rpm h GLN 887 N 0.86 0.55 0.40 1.25 4.15 -1.62 -0.11 115.11 120.58 1rpm h GLN 887 Ca 0.16 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1rpm h GLN 887 Cb 0.50 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1rpm h GLN 887 CO 0.02 0.67 -0.26 1.25 -1.93 0.00 0.00 178.83 178.59 1rpm h HIS 888 N 0.36 -0.67 -0.50 3.99 2.76 -0.61 -0.81 115.15 119.66 1rpm h HIS 888 Ca 0.09 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1rpm h HIS 888 Cb 0.42 0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1rpm h HIS 888 CO 0.03 -0.39 0.23 0.82 -1.30 0.00 0.00 177.93 177.32 1rpm h ILE 889 N -0.63 0.91 -0.17 6.26 2.04 -0.54 -1.62 117.51 123.76 1rpm h ILE 889 Ca -0.04 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1rpm h ILE 889 Cb 0.52 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1rpm h ILE 889 CO 0.03 0.08 -0.00 0.74 0.00 0.00 0.00 178.15 179.00 1rpm h THR 890 N 0.45 0.87 -0.88 -0.27 2.02 -0.74 -1.97 112.91 112.39 1rpm h THR 890 Ca 0.23 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1rpm h THR 890 Cb 0.18 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1rpm h THR 890 CO -0.19 0.01 0.57 1.56 0.37 0.00 0.00 175.52 177.84 1rpm h GLN 891 N 0.05 1.17 0.00 6.66 4.20 -0.90 -1.58 115.11 124.71 1rpm h GLN 891 Ca 0.08 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1rpm h GLN 891 Cb 0.10 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1rpm h GLN 891 CO -0.14 0.79 -0.02 0.52 -0.67 0.00 0.00 178.83 179.32 1rpm h MET 892 N 1.20 0.00 0.00 1.46 2.86 -0.59 -1.72 114.93 118.15 1rpm h MET 892 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1rpm h MET 892 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1rpm h MET 892 CO -0.07 0.02 -0.28 1.63 1.06 0.00 0.00 176.91 179.27 1rpm n LYS 893 N -4.04 0.22 -1.72 1.72 5.02 -0.61 -1.96 118.16 116.80 1rpm n LYS 893 Ca -0.03 0.12 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 1rpm n LYS 893 Cb 0.10 -1.70 0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1rpm n LYS 893 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rpm n ALA 895 N -1.23 -1.95 -2.90 0.00 0.00 -1.26 -0.53 120.51 112.64 1rpm n ALA 895 Ca 0.12 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1rpm n ALA 895 Cb 0.45 -2.67 0.03 0.00 0.00 0.00 0.00 19.45 17.26 1rpm n ALA 895 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rpm n GLU 896 N -4.22 -4.19 -2.71 0.00 1.02 -1.20 -3.12 120.64 106.22 1rpm n GLU 896 Ca -0.26 0.80 -0.07 0.00 -0.02 0.00 0.00 57.16 57.61 1rpm n GLU 896 Cb 0.66 -5.42 0.03 0.00 -0.02 0.00 0.00 31.44 26.69 1rpm n GLU 896 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rpm n GLY 897 N -1.42 0.36 0.24 0.62 0.00 0.34 -4.90 105.19 100.43 1rpm n GLY 897 Ca -0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1rpm n GLY 897 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rpm h TYR 898 N -0.78 0.73 -0.38 1.61 3.20 -0.75 0.14 116.97 120.73 1rpm h TYR 898 Ca -0.19 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.74 1rpm h TYR 898 Cb 1.12 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1rpm h TYR 898 CO 0.15 0.46 0.14 0.78 -1.64 0.00 0.00 178.16 178.05 1rpm h GLY 899 N 0.79 0.49 1.00 1.82 0.00 -1.68 0.42 103.07 105.90 1rpm h GLY 899 Ca 0.21 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1rpm h GLY 899 CO -0.05 0.03 -0.20 0.74 0.00 0.00 0.00 176.54 177.07 1rpm h PHE 900 N 0.30 0.90 -0.25 5.60 0.04 -0.96 -0.78 116.94 121.78 1rpm h PHE 900 Ca 0.18 -0.23 0.03 0.00 2.80 0.00 0.00 57.97 60.74 1rpm h PHE 900 Cb 0.15 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1rpm h PHE 900 CO -0.14 0.97 0.08 0.87 -0.60 0.00 0.00 178.31 179.49 1rpm h LYS 901 N 0.57 0.19 -0.43 1.51 1.57 -0.43 0.22 116.57 119.76 1rpm h LYS 901 Ca 0.08 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1rpm h LYS 901 Cb 0.75 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1rpm h LYS 901 CO 0.06 0.13 -0.29 1.49 -0.57 0.00 0.00 179.45 180.26 1rpm h GLU 902 N 0.19 0.96 -0.07 3.15 4.81 -0.95 -1.55 114.58 121.13 1rpm h GLU 902 Ca 0.11 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1rpm h GLU 902 Cb 0.08 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1rpm h GLU 902 CO -0.12 1.12 0.02 1.49 -0.73 0.00 0.00 179.01 180.79 1rpm h GLU 903 N 0.79 0.11 -0.56 1.92 4.81 -0.83 -2.66 114.58 118.16 1rpm h GLU 903 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1rpm h GLU 903 Cb 0.88 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1rpm h GLU 903 CO 0.08 0.28 0.31 -0.92 -0.73 0.00 0.00 179.01 178.03 1rpm h TYR 904 N -0.09 0.74 0.00 0.92 3.20 -0.54 -0.80 116.97 120.41 1rpm h TYR 904 Ca 0.02 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1rpm h TYR 904 Cb 0.22 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1rpm h TYR 904 CO -0.00 0.51 0.00 1.05 -1.64 0.00 0.00 178.16 178.08 1rpm h GLU 905 N 0.77 0.00 0.00 1.82 -0.00 -1.05 -2.34 114.58 113.79 1rpm h GLU 905 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.55 1rpm h GLU 905 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1rpm h GLU 905 CO -0.03 0.00 -0.07 0.66 -0.00 0.00 0.00 179.01 179.57 1rpm h SER 906 N 0.00 0.00 -4.21 3.06 4.64 -0.80 -3.45 113.55 112.80 1rpm h SER 906 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1rpm h SER 906 Cb 0.37 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.56 1rpm h SER 906 CO 0.00 0.07 0.37 -0.36 -0.87 0.00 0.00 176.83 176.04 1rpm s PHE 907 N -3.50 2.58 -0.33 4.77 0.08 -0.88 -4.98 117.98 115.72 1rpm s PHE 907 Ca 0.03 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.43 1rpm s PHE 907 Cb 0.08 -3.18 -0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1rpm s PHE 907 CO 0.61 -1.75 0.64 0.12 -0.10 0.00 0.00 175.22 174.73 1rpm s PHE 908 N -2.36 3.18 -0.12 0.36 5.36 -1.26 -5.02 117.98 118.12 1rpm s PHE 908 Ca 0.67 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.89 1rpm s PHE 908 Cb -0.21 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1rpm s PHE 908 CO 0.43 -0.55 0.66 -2.00 -1.46 0.00 0.00 175.22 172.29 1rpm s GLU 909 N 2.67 4.35 0.00 10.12 2.12 -1.26 -4.73 118.70 131.97 1rpm s GLU 909 Ca 0.25 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1rpm s GLU 909 Cb -0.15 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1rpm s GLU 909 CO 0.13 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1rpm n GLY 910 N 3.34 -2.22 3.63 -1.50 0.00 -1.26 -4.96 105.19 102.22 1rpm n GLY 910 Ca -0.02 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 1rpm n GLY 910 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rpm s GLN 911 N -0.44 3.61 0.00 1.61 0.74 -1.26 -4.62 119.66 119.29 1rpm s GLN 911 Ca 0.00 2.09 0.07 0.00 0.05 0.00 0.00 55.36 57.56 1rpm s GLN 911 Cb 0.00 -4.22 0.17 0.00 1.10 0.00 0.00 33.01 30.06 1rpm s GLN 911 CO 0.00 -1.55 1.10 -1.13 -0.55 0.00 0.00 175.29 173.16 1rpm n SER 912 N 9.57 2.44 -3.54 6.67 3.41 -1.26 -5.03 113.62 125.87 1rpm n SER 912 Ca 0.24 -1.90 -0.10 0.00 -0.26 0.00 0.00 58.87 56.85 1rpm n SER 912 Cb 0.44 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1rpm n SER 912 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rpm s ALA 913 N -0.94 -1.57 0.61 7.33 0.00 -1.26 -5.12 121.76 120.80 1rpm s ALA 913 Ca 0.14 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1rpm s ALA 913 Cb 0.07 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1rpm s ALA 913 CO 0.10 -0.83 1.23 -2.14 0.00 0.00 0.00 175.76 174.12 1rpm s PRO 914 N -3.64 2.86 -0.38 0.00 0.02 -1.26 -4.93 135.00 127.67 1rpm s PRO 914 Ca 0.04 1.87 0.11 0.00 0.02 0.00 0.00 61.00 63.05 1rpm s PRO 914 Cb -0.02 -1.91 0.40 0.00 0.02 0.00 0.00 34.50 32.99 1rpm s PRO 914 CO -0.07 -1.30 1.18 -2.67 -0.33 0.00 0.00 177.00 173.81 1rpm n TRP 915 N -1.69 -1.35 -0.18 6.54 2.14 -1.26 -1.08 117.44 120.56 1rpm n TRP 915 Ca 0.14 -2.29 0.04 0.00 2.07 0.00 0.00 57.50 57.46 1rpm n TRP 915 Cb 0.49 0.94 0.32 0.00 -0.81 0.00 0.00 31.31 32.26 1rpm n TRP 915 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1rpm h ASP 916 N 2.44 0.71 -0.01 -0.67 3.32 -1.94 -0.89 116.42 119.39 1rpm h ASP 916 Ca -0.19 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.60 1rpm h ASP 916 Cb 1.23 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.64 1rpm h ASP 916 CO 0.14 0.48 -1.01 0.28 -1.72 0.00 0.00 179.24 177.42 1rpm h SER 917 N 0.82 0.90 -0.81 6.45 0.02 -1.94 -3.11 113.55 115.88 1rpm h SER 917 Ca 0.29 -0.73 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 1rpm h SER 917 Cb 0.12 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1rpm h SER 917 CO -0.09 1.52 0.34 0.00 -1.14 0.00 0.00 176.83 177.45 1rpm h ALA 918 N 0.40 1.06 -0.26 3.77 0.00 -1.65 -2.46 119.26 120.13 1rpm h ALA 918 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rpm h ALA 918 Cb 1.66 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1rpm h ALA 918 CO 0.20 0.67 0.00 0.36 0.00 0.00 0.00 179.25 180.48 1rpm n LYS 919 N -4.28 1.83 -2.39 0.00 2.85 -0.38 -4.61 118.16 111.18 1rpm n LYS 919 Ca 0.08 -1.02 -0.40 0.00 -1.05 0.00 0.00 58.31 55.91 1rpm n LYS 919 Cb 0.18 -1.35 -0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1rpm n LYS 919 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1rpm s LYS 920 N -1.64 4.56 0.37 -1.58 1.02 -0.93 -4.92 119.74 116.62 1rpm s LYS 920 Ca 0.19 1.90 0.07 0.00 0.02 0.00 0.00 55.97 58.15 1rpm s LYS 920 Cb 0.11 -3.17 0.78 0.00 -0.52 0.00 0.00 37.83 35.02 1rpm s LYS 920 CO 0.11 0.09 1.94 0.22 -0.92 0.00 0.00 175.35 176.79 1rpm h ASP 921 N 3.93 0.64 0.46 2.83 3.58 -1.90 0.99 116.42 126.95 1rpm h ASP 921 Ca -0.47 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1rpm h ASP 921 Cb 1.21 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1rpm h ASP 921 CO 0.68 0.40 0.00 -1.84 -2.88 0.00 0.00 179.24 175.59 1rpm n GLU 922 N -4.49 0.05 -0.03 0.28 0.00 -1.26 -1.94 120.64 113.25 1rpm n GLU 922 Ca 0.12 0.22 0.06 0.00 0.00 0.00 0.00 57.16 57.55 1rpm n GLU 922 Cb 0.28 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.29 1rpm n GLU 922 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1rpm n ASN 923 N -1.45 2.10 -0.35 -1.84 3.02 0.31 -4.69 115.26 112.37 1rpm n ASN 923 Ca 0.04 -1.56 0.04 0.00 -0.03 0.00 0.00 54.58 53.08 1rpm n ASN 923 Cb 0.16 -0.04 0.20 0.00 -0.61 0.00 0.00 39.78 39.49 1rpm n ASN 923 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1rpm h ARG 924 N 2.16 1.00 0.00 3.52 2.43 -1.01 -0.76 114.38 121.72 1rpm h ARG 924 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1rpm h ARG 924 Cb 0.51 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1rpm h ARG 924 CO 0.00 0.66 0.00 0.00 -1.51 0.00 0.00 179.97 179.12 1rpm n MET 925 N -4.60 0.90 0.00 0.20 0.00 -1.26 -2.92 117.12 109.44 1rpm n MET 925 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.94 1rpm n MET 925 Cb 0.27 -1.26 0.06 0.00 0.00 0.00 0.00 33.22 32.29 1rpm n MET 925 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1rpm n LYS 926 N -0.76 1.30 -4.30 3.17 5.02 -0.29 -4.84 118.16 117.45 1rpm n LYS 926 Ca 0.11 -1.36 -0.34 0.00 -2.02 0.00 0.00 58.31 54.70 1rpm n LYS 926 Cb 0.05 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1rpm n LYS 926 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1rpm s ASN 927 N -1.40 4.68 -0.06 4.39 0.01 -1.15 -4.37 114.94 117.04 1rpm s ASN 927 Ca 0.18 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 51.95 1rpm s ASN 927 Cb 0.13 -1.77 -0.14 0.00 0.41 0.00 0.00 41.25 39.88 1rpm s ASN 927 CO 0.23 0.12 0.75 -0.09 -1.51 0.00 0.00 177.10 176.59 1rpm h ARG 928 N 7.05 -0.22 -5.03 -0.60 2.43 -1.87 -3.42 114.38 112.71 1rpm h ARG 928 Ca -0.33 0.02 -0.66 0.00 -0.81 0.00 0.00 59.98 58.20 1rpm h ARG 928 Cb 1.19 0.05 -0.28 0.00 -0.42 0.00 0.00 29.97 30.50 1rpm h ARG 928 CO 0.61 0.16 -0.74 0.71 -1.51 0.00 0.00 179.97 179.21 1rpm s TYR 929 N -3.15 2.93 0.64 2.20 2.02 -1.26 -5.00 117.35 115.72 1rpm s TYR 929 Ca -0.11 -0.98 0.35 0.00 -0.37 0.00 0.00 57.07 55.97 1rpm s TYR 929 Cb 0.00 -2.07 1.98 0.00 -0.40 0.00 0.00 41.96 41.47 1rpm s TYR 929 CO 0.41 -0.54 2.19 0.78 -1.57 0.00 0.00 175.55 176.81 1rpm h GLY 930 N 7.98 0.00 0.38 0.71 0.00 -1.96 -0.42 103.07 109.76 1rpm h GLY 930 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1rpm h GLY 930 CO 0.61 0.00 -1.09 1.16 0.00 0.00 0.00 176.54 177.21 1rpm n ASN 931 N -3.32 0.64 -4.02 0.19 6.94 -1.26 -4.54 115.26 109.89 1rpm n ASN 931 Ca -0.01 -0.42 -0.35 0.00 -0.02 0.00 0.00 54.58 53.77 1rpm n ASN 931 Cb 0.21 0.96 -0.07 0.00 -2.36 0.00 0.00 39.78 38.52 1rpm n ASN 931 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1rpm n ILE 932 N -1.82 2.99 -4.62 1.53 2.08 -0.17 -4.91 119.36 114.45 1rpm n ILE 932 Ca 0.02 -5.16 -0.28 0.00 0.56 0.00 0.00 62.75 57.89 1rpm n ILE 932 Cb 0.41 -2.32 -0.11 0.00 -0.75 0.00 0.00 39.64 36.88 1rpm n ILE 932 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1rpm s ILE 933 N -1.59 1.93 -0.22 1.39 -4.36 -1.26 -4.53 121.20 112.56 1rpm s ILE 933 Ca 0.29 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.43 1rpm s ILE 933 Cb -0.04 -2.94 -0.01 0.00 1.25 0.00 0.00 42.46 40.72 1rpm s ILE 933 CO -0.11 0.00 0.85 0.00 0.24 0.00 0.00 174.94 175.92 1rpm s ALA 934 N -2.73 3.62 0.37 2.27 0.00 -1.26 -4.47 121.76 119.55 1rpm s ALA 934 Ca 0.33 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 1rpm s ALA 934 Cb 0.09 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 1rpm s ALA 934 CO 0.17 -0.86 1.47 0.71 0.00 0.00 0.00 175.76 177.25 1rpm s TYR 935 N 2.68 2.64 0.12 0.00 2.02 -1.26 -4.38 117.35 119.17 1rpm s TYR 935 Ca 0.37 1.19 -0.25 0.00 -0.37 0.00 0.00 57.07 58.01 1rpm s TYR 935 Cb -0.16 -3.99 -0.06 0.00 -0.40 0.00 0.00 41.96 37.36 1rpm s TYR 935 CO 0.09 -2.88 1.66 -0.44 -1.57 0.00 0.00 175.55 172.40 1rpm h ASP 936 N 3.08 -0.57 -0.01 2.29 3.32 -1.44 -1.23 116.42 121.85 1rpm h ASP 936 Ca -0.51 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1rpm h ASP 936 Cb 1.24 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.02 1rpm h ASP 936 CO 0.65 -0.26 0.03 1.12 -1.72 0.00 0.00 179.24 179.05 1rpm h HIS 937 N -0.32 0.00 0.00 4.55 2.07 -1.92 -3.09 115.15 116.43 1rpm h HIS 937 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1rpm h HIS 937 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 1rpm h HIS 937 CO -0.24 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.49 1rpm n SER 938 N -3.28 0.98 -4.76 3.10 3.41 -1.15 -5.07 113.62 106.85 1rpm n SER 938 Ca -0.03 -1.44 -0.35 0.00 -0.26 0.00 0.00 58.87 56.79 1rpm n SER 938 Cb 0.11 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1rpm n SER 938 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rpm s ARG 939 N -0.44 3.01 -0.28 4.33 1.70 -0.48 -1.30 118.95 125.50 1rpm s ARG 939 Ca 0.00 1.63 -0.23 0.00 -0.47 0.00 0.00 55.73 56.66 1rpm s ARG 939 Cb 0.00 -1.96 -0.01 0.00 -0.57 0.00 0.00 34.95 32.42 1rpm s ARG 939 CO 0.00 -1.13 0.75 0.08 -1.08 0.00 0.00 175.30 173.92 1rpm s VAL 940 N -1.88 4.86 0.23 4.99 1.01 -0.51 -4.78 120.40 124.32 1rpm s VAL 940 Ca 0.73 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.82 1rpm s VAL 940 Cb -0.25 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1rpm s VAL 940 CO 0.34 -0.13 0.64 -0.13 0.00 0.00 0.00 175.10 175.82 1rpm s ARG 941 N 2.80 4.00 0.17 2.72 0.52 -1.26 -4.10 118.95 123.80 1rpm s ARG 941 Ca 0.31 0.57 0.06 0.00 -0.52 0.00 0.00 55.73 56.15 1rpm s ARG 941 Cb -0.15 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 1rpm s ARG 941 CO 0.10 0.34 0.09 -0.51 0.02 0.00 0.00 175.30 175.34 1rpm s LEU 942 N -2.44 3.64 -0.18 2.53 1.43 0.20 -5.00 118.68 118.86 1rpm s LEU 942 Ca 0.46 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 1rpm s LEU 942 Cb -0.13 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1rpm s LEU 942 CO 0.20 0.07 1.52 -1.10 0.23 0.00 0.00 176.35 177.27 1rpm s GLN 943 N -3.07 3.99 -0.06 1.70 -0.21 -1.26 -4.34 119.66 116.41 1rpm s GLN 943 Ca 0.30 1.75 -0.35 0.00 0.02 0.00 0.00 55.36 57.08 1rpm s GLN 943 Cb -0.10 -3.95 -0.13 0.00 1.00 0.00 0.00 33.01 29.83 1rpm s GLN 943 CO 0.22 -1.05 1.80 2.41 -2.12 0.00 0.00 175.29 176.55 1rpm n THR 944 N 5.95 0.44 -2.30 -0.19 -1.04 -1.26 -4.74 114.28 111.14 1rpm n THR 944 Ca 0.17 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.67 1rpm n THR 944 Cb 0.45 -1.72 -0.02 0.00 -1.82 0.00 0.00 70.33 67.21 1rpm n THR 944 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1rpm s ILE 945 N 3.38 3.99 0.00 12.58 1.01 -1.26 -4.85 121.20 136.05 1rpm s ILE 945 Ca 0.91 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1rpm s ILE 945 Cb -0.74 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1rpm s ILE 945 CO 0.51 -0.35 0.00 -0.62 0.00 0.00 0.00 174.94 174.47 1rpm n GLU 946 N 7.33 0.00 -0.96 2.79 4.71 -1.26 0.08 120.64 133.33 1rpm n GLU 946 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1rpm n GLU 946 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.89 1rpm n GLU 946 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rpm n GLY 947 N 0.00 0.35 3.03 0.62 0.00 -1.26 -4.96 105.19 102.97 1rpm n GLY 947 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rpm n GLY 947 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rpm s ASP 948 N -2.12 4.79 0.61 1.61 3.84 0.11 -5.09 116.67 120.42 1rpm s ASP 948 Ca 0.00 -2.42 -0.17 0.00 -0.00 0.00 0.00 52.55 49.96 1rpm s ASP 948 Cb 0.00 -1.69 -0.03 0.00 -1.38 0.00 0.00 42.92 39.82 1rpm s ASP 948 CO 0.00 -0.37 1.14 -0.89 -0.00 0.00 0.00 175.17 175.04 1rpm s THR 949 N 0.56 3.07 0.00 2.11 2.01 -1.26 -2.67 115.64 119.45 1rpm s THR 949 Ca 0.13 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1rpm s THR 949 Cb -0.22 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1rpm s THR 949 CO -0.05 -0.22 0.00 0.59 -0.69 0.00 0.00 174.62 174.25 1rpm n ASN 950 N -1.85 0.00 -1.22 3.53 3.02 -1.26 -4.84 115.26 112.64 1rpm n ASN 950 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.63 1rpm n ASN 950 Cb 0.51 -0.74 0.09 0.00 -0.61 0.00 0.00 39.78 39.04 1rpm n ASN 950 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1rpm n SER 951 N 0.00 2.97 -0.66 6.41 3.41 -1.09 -3.42 113.62 121.24 1rpm n SER 951 Ca 0.00 -2.44 0.06 0.00 -0.26 0.00 0.00 58.87 56.23 1rpm n SER 951 Cb 0.00 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 63.49 1rpm n SER 951 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rpm n ASP 952 N 0.06 2.71 -4.56 4.04 5.75 -1.26 -4.00 116.55 119.29 1rpm n ASP 952 Ca 0.15 -1.84 -0.34 0.00 -0.01 0.00 0.00 54.79 52.76 1rpm n ASP 952 Cb 0.75 -0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 40.56 1rpm n ASP 952 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1rpm s TYR 953 N -1.02 2.98 -0.04 2.11 5.04 -1.22 -0.63 117.35 124.57 1rpm s TYR 953 Ca 0.23 -0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.76 1rpm s TYR 953 Cb 0.13 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.66 1rpm s TYR 953 CO 0.17 0.23 0.09 -1.50 -1.34 0.00 0.00 175.55 173.21 1rpm s ILE 954 N -0.49 -0.00 -1.25 3.14 2.07 -1.26 -4.92 121.20 118.50 1rpm s ILE 954 Ca 0.07 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.13 1rpm s ILE 954 Cb -0.12 -0.14 0.01 0.00 0.13 0.00 0.00 42.46 42.34 1rpm s ILE 954 CO 0.02 0.01 1.81 0.21 -1.91 0.00 0.00 174.94 175.08 1rpm s ASN 955 N 0.14 6.11 -0.03 4.50 2.47 -1.26 -4.62 114.94 122.26 1rpm s ASN 955 Ca -0.01 -2.11 -0.23 0.00 0.42 0.00 0.00 52.86 50.93 1rpm s ASN 955 Cb -0.02 -2.58 0.05 0.00 -1.45 0.00 0.00 41.25 37.25 1rpm s ASN 955 CO -0.00 -1.94 0.50 -0.83 -3.72 0.00 0.00 177.10 171.11 1rpm s GLY 956 N 5.15 -0.37 0.04 1.21 0.00 -1.26 -3.26 107.32 108.82 1rpm s GLY 956 Ca 0.60 0.81 0.04 0.00 0.00 0.00 0.00 44.72 46.16 1rpm s GLY 956 CO 0.10 0.52 -0.12 -1.31 0.00 0.00 0.00 173.10 172.29 1rpm s ASN 957 N -1.32 1.36 0.36 1.64 -0.87 0.12 -1.42 114.94 114.81 1rpm s ASN 957 Ca -0.12 -0.45 -0.25 0.00 -1.57 0.00 0.00 52.86 50.47 1rpm s ASN 957 Cb -0.02 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.25 41.05 1rpm s ASN 957 CO 0.06 -0.03 0.98 -0.31 -2.57 0.00 0.00 177.10 175.24 1rpm s TYR 958 N -0.92 3.51 -0.06 2.20 2.02 -0.42 -0.49 117.35 123.19 1rpm s TYR 958 Ca -0.01 1.72 -0.04 0.00 -0.37 0.00 0.00 57.07 58.36 1rpm s TYR 958 Cb -0.08 -2.98 0.03 0.00 -0.40 0.00 0.00 41.96 38.53 1rpm s TYR 958 CO 0.01 -0.10 0.15 0.42 -1.57 0.00 0.00 175.55 174.46 1rpm s ILE 959 N -1.70 -0.02 0.55 2.71 1.01 0.91 -4.89 121.20 119.77 1rpm s ILE 959 Ca 0.54 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 1rpm s ILE 959 Cb -0.19 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 41.99 1rpm s ILE 959 CO 0.24 0.03 1.07 -1.81 0.00 0.00 0.00 174.94 174.47 1rpm s ASP 960 N 0.59 5.92 0.56 3.58 1.01 -1.26 -0.97 116.67 126.11 1rpm s ASP 960 Ca -0.04 1.97 0.09 0.00 0.71 0.00 0.00 52.55 55.28 1rpm s ASP 960 Cb -0.06 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1rpm s ASP 960 CO -0.03 -1.08 0.77 0.61 0.21 0.00 0.00 175.17 175.66 1rpm n GLY 961 N -0.36 1.96 0.38 0.21 0.00 0.14 -4.71 105.19 102.81 1rpm n GLY 961 Ca 0.10 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1rpm n GLY 961 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rpm n TYR 962 N -2.22 0.02 -2.56 1.61 9.36 -1.26 -2.95 117.16 119.16 1rpm n TYR 962 Ca 0.16 1.23 0.01 0.00 3.32 0.00 0.00 57.90 62.62 1rpm n TYR 962 Cb 0.58 -0.87 0.03 0.00 -0.63 0.00 0.00 39.34 38.45 1rpm n TYR 962 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1rpm n HIS 963 N -5.47 0.23 -3.84 2.98 8.25 -1.26 -5.04 115.22 111.08 1rpm n HIS 963 Ca 0.10 -1.12 -0.29 0.00 -0.26 0.00 0.00 57.72 56.15 1rpm n HIS 963 Cb 0.40 0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.39 1rpm n HIS 963 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1rpm s ARG 964 N -1.21 1.14 0.36 -0.41 1.81 -1.15 -5.12 118.95 114.36 1rpm s ARG 964 Ca 0.26 -0.66 -0.28 0.00 -1.72 0.00 0.00 55.73 53.33 1rpm s ARG 964 Cb 0.33 -2.28 -0.10 0.00 -0.45 0.00 0.00 34.95 32.44 1rpm s ARG 964 CO -0.10 -0.59 1.34 -1.25 -0.68 0.00 0.00 175.30 174.01 1rpm s PRO 965 N 1.64 4.23 -1.51 3.54 0.04 -1.26 0.25 135.00 141.93 1rpm s PRO 965 Ca -0.03 2.28 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1rpm s PRO 965 Cb -0.18 -2.99 0.07 0.00 0.04 0.00 0.00 34.50 31.45 1rpm s PRO 965 CO -0.07 -0.32 0.75 0.09 0.04 0.00 0.00 177.00 177.49 1rpm n ASN 966 N 0.60 -2.74 0.24 6.66 3.02 -1.24 -4.78 115.26 117.02 1rpm n ASN 966 Ca 0.01 -0.90 0.13 0.00 -0.03 0.00 0.00 54.58 53.79 1rpm n ASN 966 Cb 0.42 -3.42 0.49 0.00 -0.61 0.00 0.00 39.78 36.66 1rpm n ASN 966 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1rpm h HIS 967 N -1.84 0.00 -3.42 3.10 2.76 -1.13 -3.41 115.15 111.21 1rpm h HIS 967 Ca -0.60 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.25 1rpm h HIS 967 Cb 1.38 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 30.19 1rpm h HIS 967 CO 0.55 0.11 -0.71 0.71 -1.30 0.00 0.00 177.93 177.29 1rpm s TYR 968 N -3.56 1.26 -0.21 5.26 1.51 -0.14 -1.02 117.35 120.45 1rpm s TYR 968 Ca 0.02 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1rpm s TYR 968 Cb 0.09 -0.65 0.06 0.00 -0.11 0.00 0.00 41.96 41.34 1rpm s TYR 968 CO 0.61 0.05 -0.02 0.42 -1.11 0.00 0.00 175.55 175.49 1rpm s ILE 969 N -3.36 1.11 -0.23 2.71 1.01 -0.25 -0.06 121.20 122.13 1rpm s ILE 969 Ca 0.17 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 1rpm s ILE 969 Cb 0.03 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1rpm s ILE 969 CO 0.01 -0.08 0.69 0.00 0.00 0.00 0.00 174.94 175.55 1rpm s ALA 970 N 1.60 3.60 0.29 9.38 0.00 0.36 -0.75 121.76 136.23 1rpm s ALA 970 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1rpm s ALA 970 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1rpm s ALA 970 CO -0.07 -0.75 0.13 0.95 0.00 0.00 0.00 175.76 176.02 1rpm s THR 971 N 2.39 0.43 0.50 0.00 -4.23 -0.20 -0.70 115.64 113.83 1rpm s THR 971 Ca 0.30 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1rpm s THR 971 Cb -0.16 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1rpm s THR 971 CO 0.09 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 174.96 1rpm s GLN 972 N -3.90 3.31 0.06 3.99 -2.07 -1.20 -3.61 119.66 116.24 1rpm s GLN 972 Ca 0.36 0.03 -0.31 0.00 -1.82 0.00 0.00 55.36 53.62 1rpm s GLN 972 Cb 0.06 -2.38 -0.07 0.00 -1.09 0.00 0.00 33.01 29.53 1rpm s GLN 972 CO 0.16 -0.33 1.46 0.20 -1.32 0.00 0.00 175.29 175.45 1rpm s GLY 973 N -4.17 1.82 0.68 2.60 0.00 -0.18 -4.82 107.32 103.25 1rpm s GLY 973 Ca 0.49 1.05 -0.17 0.00 0.00 0.00 0.00 44.72 46.09 1rpm s GLY 973 CO 0.44 2.54 0.18 -1.05 0.00 0.00 0.00 173.10 175.21 1rpm n PRO 974 N 4.87 0.20 -4.21 2.90 -0.02 -1.26 -4.73 135.00 132.75 1rpm n PRO 974 Ca 0.13 0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 61.47 1rpm n PRO 974 Cb 0.42 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 1rpm n PRO 974 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1rpm s MET 975 N -2.13 2.29 0.28 -0.52 -1.94 -1.26 -2.34 119.30 113.68 1rpm s MET 975 Ca 0.60 -1.54 -0.00 0.00 -1.71 0.00 0.00 55.69 53.04 1rpm s MET 975 Cb -0.38 -2.12 0.50 0.00 2.01 0.00 0.00 34.83 34.84 1rpm s MET 975 CO 0.63 0.20 1.85 1.96 -0.01 0.00 0.00 175.02 179.65 1rpm h GLN 976 N 1.71 1.03 0.00 2.03 4.20 -1.96 0.70 115.11 122.83 1rpm h GLN 976 Ca -0.44 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 1rpm h GLN 976 Cb 1.25 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1rpm h GLN 976 CO 0.63 0.68 -0.04 0.93 -0.67 0.00 0.00 178.83 180.36 1rpm h GLU 977 N 1.06 0.00 -0.17 1.46 3.07 -1.95 -3.14 114.58 114.91 1rpm h GLU 977 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1rpm h GLU 977 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1rpm h GLU 977 CO -0.23 0.04 0.00 0.25 -1.40 0.00 0.00 179.01 177.67 1rpm n THR 978 N -3.20 1.80 -0.15 1.13 -2.24 0.18 -4.67 114.28 107.13 1rpm n THR 978 Ca -0.00 -1.74 -0.08 0.00 -2.27 0.00 0.00 64.05 59.95 1rpm n THR 978 Cb 0.27 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1rpm n THR 978 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1rpm h ILE 979 N 1.09 1.19 -0.40 2.28 2.04 -1.33 -1.65 117.51 120.71 1rpm h ILE 979 Ca 0.00 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1rpm h ILE 979 Cb 1.08 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1rpm h ILE 979 CO 0.09 0.20 0.16 0.22 0.00 0.00 0.00 178.15 178.83 1rpm h TYR 980 N 0.56 0.61 -0.84 1.37 3.20 -1.84 -2.14 116.97 117.90 1rpm h TYR 980 Ca 0.15 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1rpm h TYR 980 Cb 0.13 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 1rpm h TYR 980 CO -0.01 0.53 0.55 -0.44 -1.64 0.00 0.00 178.16 177.16 1rpm h ASP 981 N 0.51 0.89 0.09 -2.11 3.32 -1.82 -0.44 116.42 116.85 1rpm h ASP 981 Ca 0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1rpm h ASP 981 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1rpm h ASP 981 CO -0.01 0.60 -0.04 0.15 -1.72 0.00 0.00 179.24 178.22 1rpm h PHE 982 N 1.02 -0.11 -0.53 4.55 3.57 -1.05 -1.87 116.94 122.53 1rpm h PHE 982 Ca 0.34 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1rpm h PHE 982 Cb 0.06 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1rpm h PHE 982 CO -0.00 0.11 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.65 1rpm h TRP 983 N -0.32 1.08 0.00 0.41 4.06 -1.05 -1.19 115.95 118.94 1rpm h TRP 983 Ca -0.01 -0.21 -0.05 0.00 2.06 0.00 0.00 58.89 60.68 1rpm h TRP 983 Cb 0.27 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1rpm h TRP 983 CO -0.01 1.00 -0.25 0.07 -3.56 0.00 0.00 178.44 175.69 1rpm h ARG 984 N 0.85 0.00 0.02 0.49 0.11 -1.12 -0.11 114.38 114.63 1rpm h ARG 984 Ca 0.14 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.22 1rpm h ARG 984 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1rpm h ARG 984 CO 0.04 0.25 -0.01 1.98 0.10 0.00 0.00 179.97 182.33 1rpm h MET 985 N 0.00 -0.03 -0.91 0.08 4.05 -1.03 -0.62 114.93 116.46 1rpm h MET 985 Ca -0.00 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.59 1rpm h MET 985 Cb 0.47 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.17 1rpm h MET 985 CO 0.03 0.45 0.50 0.28 0.23 0.00 0.00 176.91 178.40 1rpm h VAL 986 N -0.52 0.69 0.18 -5.77 2.07 -0.80 0.21 116.25 112.31 1rpm h VAL 986 Ca -0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1rpm h VAL 986 Cb 0.49 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1rpm h VAL 986 CO 0.01 0.12 -0.09 -0.25 0.02 0.00 0.00 177.57 177.38 1rpm h TRP 987 N 0.65 -0.22 -0.15 1.57 2.91 -0.93 -1.34 115.95 118.44 1rpm h TRP 987 Ca 0.52 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.53 1rpm h TRP 987 Cb 0.80 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 1rpm h TRP 987 CO -0.06 0.19 0.08 1.25 -1.03 0.00 0.00 178.44 178.86 1rpm h HIS 988 N -0.77 0.19 -0.01 2.65 2.76 -0.78 -1.16 115.15 118.04 1rpm h HIS 988 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1rpm h HIS 988 Cb 0.52 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1rpm h HIS 988 CO 0.07 0.15 -0.01 0.39 -1.30 0.00 0.00 177.93 177.22 1rpm n GLU 989 N -4.49 1.44 -3.88 5.26 -0.58 0.72 -4.93 120.64 114.18 1rpm n GLU 989 Ca -0.01 -0.69 -0.29 0.00 -0.42 0.00 0.00 57.16 55.75 1rpm n GLU 989 Cb 0.10 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1rpm n GLU 989 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1rpm n ASN 990 N -0.17 -4.56 -4.76 1.62 5.15 -0.44 -4.05 115.26 108.04 1rpm n ASN 990 Ca 0.20 -0.77 -0.39 0.00 -0.60 0.00 0.00 54.58 53.01 1rpm n ASN 990 Cb 0.29 -3.97 -0.04 0.00 -0.53 0.00 0.00 39.78 35.54 1rpm n ASN 990 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1rpm s THR 991 N -3.34 3.40 -0.01 -0.44 2.01 -0.53 0.16 115.64 116.88 1rpm s THR 991 Ca 0.60 1.32 0.05 0.00 0.31 0.00 0.00 61.69 63.97 1rpm s THR 991 Cb -0.30 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1rpm s THR 991 CO 0.82 0.25 0.09 0.00 -0.69 0.00 0.00 174.62 175.09 1rpm n ALA 992 N 0.80 2.14 -3.45 7.40 0.00 -1.26 -4.87 120.51 121.27 1rpm n ALA 992 Ca 0.01 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1rpm n ALA 992 Cb 0.45 -0.12 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 1rpm n ALA 992 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rpm s SER 993 N -2.67 1.88 -0.21 0.00 0.01 -1.26 -0.99 113.70 110.45 1rpm s SER 993 Ca -0.02 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1rpm s SER 993 Cb 0.03 -0.87 -0.00 0.00 0.21 0.00 0.00 66.02 65.39 1rpm s SER 993 CO 0.19 0.04 -0.09 -0.63 0.41 0.00 0.00 173.24 173.17 1rpm s ILE 994 N 0.65 3.02 -0.27 1.44 1.01 0.47 -2.36 121.20 125.16 1rpm s ILE 994 Ca -0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1rpm s ILE 994 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1rpm s ILE 994 CO 0.04 0.45 0.11 -0.63 0.00 0.00 0.00 174.94 174.91 1rpm s ILE 995 N 1.42 4.51 -0.27 2.92 1.09 0.12 0.20 121.20 131.20 1rpm s ILE 995 Ca 0.05 -0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.37 1rpm s ILE 995 Cb -0.14 -3.17 0.02 0.00 -1.06 0.00 0.00 42.46 38.11 1rpm s ILE 995 CO -0.06 0.25 -0.02 -0.32 -0.10 0.00 0.00 174.94 174.69 1rpm s MET 996 N 1.63 2.85 -0.42 2.79 1.75 -0.13 -0.80 119.30 126.96 1rpm s MET 996 Ca 0.06 -0.98 0.05 0.00 -1.25 0.00 0.00 55.69 53.57 1rpm s MET 996 Cb -0.16 -3.10 0.43 0.00 2.84 0.00 0.00 34.83 34.85 1rpm s MET 996 CO 0.05 -0.44 1.28 0.28 -0.65 0.00 0.00 175.02 175.55 1rpm n VAL 997 N 4.71 2.62 -3.75 10.11 0.31 -0.04 -0.89 118.33 131.40 1rpm n VAL 997 Ca -0.16 -4.44 -0.12 0.00 -0.01 0.00 0.00 64.34 59.61 1rpm n VAL 997 Cb 0.47 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.12 1rpm n VAL 997 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rpm s THR 998 N -5.06 0.08 0.40 2.52 -1.32 -1.26 -4.76 115.64 106.24 1rpm s THR 998 Ca 0.51 -0.62 -0.02 0.00 -1.21 0.00 0.00 61.69 60.35 1rpm s THR 998 Cb 0.42 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 1rpm s THR 998 CO -0.10 -0.34 0.65 0.20 -2.21 0.00 0.00 174.62 172.82 1rpm s ASN 999 N -1.88 6.29 0.26 8.08 0.01 -1.26 -4.86 114.94 121.57 1rpm s ASN 999 Ca -0.07 0.65 -0.05 0.00 -0.71 0.00 0.00 52.86 52.68 1rpm s ASN 999 Cb -0.02 -2.12 0.30 0.00 0.41 0.00 0.00 41.25 39.82 1rpm s ASN 999 CO -0.01 -0.41 1.92 -0.07 -1.51 0.00 0.00 177.10 177.02 1rpm h LEU 1000N 0.56 1.08 -7.70 0.60 3.38 -1.94 -3.41 115.31 107.89 1rpm h LEU 1000Ca -0.49 -0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 1rpm h LEU 1000Cb 1.21 -0.27 -0.32 0.00 0.09 0.00 0.00 40.66 41.37 1rpm h LEU 1000CO 0.62 0.81 -0.75 0.68 0.09 0.00 0.00 178.44 179.89 1rpm s VAL 1001N -5.97 0.24 -0.02 1.22 -7.23 -1.26 -0.44 120.40 106.95 1rpm s VAL 1001Ca -0.12 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1rpm s VAL 1001Cb 0.18 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.85 1rpm s VAL 1001CO 0.81 0.13 -0.01 -1.61 -0.31 0.00 0.00 175.10 174.11 1rpm s GLU 1002N 0.64 0.31 -1.51 4.82 2.02 0.53 -4.81 118.70 120.71 1rpm s GLU 1002Ca -0.07 -0.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.79 1rpm s GLU 1002Cb -0.10 -0.41 0.09 0.00 0.10 0.00 0.00 34.13 33.81 1rpm s GLU 1002CO -0.01 -0.05 0.82 0.28 0.02 0.00 0.00 175.26 176.32 1rpm n VAL 1003N 3.69 -1.61 -0.28 2.63 0.31 -1.26 -1.07 118.33 120.74 1rpm n VAL 1003Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1rpm n VAL 1003Cb 0.54 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1rpm n VAL 1003CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rpm n GLY 1004N -1.52 1.99 3.78 2.92 0.00 -1.26 -5.02 105.19 106.09 1rpm n GLY 1004Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1rpm n GLY 1004CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rpm s ARG 1005N -0.16 3.53 -0.36 1.61 0.52 -0.24 -5.06 118.95 118.80 1rpm s ARG 1005Ca 0.00 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 54.68 1rpm s ARG 1005Cb 0.00 -3.14 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1rpm s ARG 1005CO 0.00 0.62 1.24 0.08 0.02 0.00 0.00 175.30 177.26 1rpm s VAL 1006N -0.59 4.19 -0.29 3.52 1.01 -1.26 -0.34 120.40 126.64 1rpm s VAL 1006Ca 0.12 1.31 0.23 0.00 0.00 0.00 0.00 61.98 63.63 1rpm s VAL 1006Cb -0.12 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1rpm s VAL 1006CO 0.02 -0.63 0.94 0.29 0.00 0.00 0.00 175.10 175.73 1rpm n LYS 1007N 7.45 0.53 -3.62 2.72 4.76 0.42 -4.97 118.16 125.45 1rpm n LYS 1007Ca 0.14 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1rpm n LYS 1007Cb 0.47 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1rpm n LYS 1007CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rpm s LYS 1010N -4.63 3.25 0.00 0.00 2.20 -1.26 -4.80 119.74 114.50 1rpm s LYS 1010Ca 0.53 -0.56 0.30 0.00 -0.36 0.00 0.00 55.97 55.88 1rpm s LYS 1010Cb -0.10 -4.81 1.40 0.00 -1.51 0.00 0.00 37.83 32.80 1rpm s LYS 1010CO 0.44 -2.36 1.94 2.48 -0.36 0.00 0.00 175.35 177.49 1rpm n TYR 1011N 9.94 0.00 -4.40 4.03 0.18 -1.26 -4.88 117.16 120.76 1rpm n TYR 1011Ca 0.22 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.76 1rpm n TYR 1011Cb 0.50 -0.04 -0.09 0.00 -0.38 0.00 0.00 39.34 39.33 1rpm n TYR 1011CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1rpm s TRP 1012N -2.11 2.44 0.33 -3.48 -2.14 -1.26 -5.05 118.94 107.67 1rpm s TRP 1012Ca 0.40 -0.29 -0.03 0.00 2.66 0.00 0.00 56.10 58.84 1rpm s TRP 1012Cb 0.21 -1.08 -0.04 0.00 -3.10 0.00 0.00 33.47 29.46 1rpm s TRP 1012CO 0.38 0.67 0.57 -1.25 -2.66 0.00 0.00 176.95 174.66 1rpm s PRO 1013N -3.51 3.56 0.29 3.25 0.04 -1.26 -5.00 135.00 132.37 1rpm s PRO 1013Ca 0.30 -0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.42 1rpm s PRO 1013Cb -0.06 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 31.97 1rpm s PRO 1013CO 0.16 0.15 1.31 -0.44 0.04 0.00 0.00 177.00 178.22 1rpm h ASP 1014N 1.18 0.00 0.00 6.66 3.32 -1.99 -3.42 116.42 122.16 1rpm h ASP 1014Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1rpm h ASP 1014Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1rpm h ASP 1014CO 0.64 0.17 0.00 -0.67 -1.72 0.00 0.00 179.24 177.66 1rpm n ASP 1015N -2.97 0.00 -3.72 6.45 2.03 -1.26 -4.81 116.55 112.26 1rpm n ASP 1015Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1rpm n ASP 1015Cb 0.62 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.94 1rpm n ASP 1015CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1rpm s THR 1016N 0.00 0.06 -0.17 5.18 -1.32 -1.26 -0.26 115.64 117.87 1rpm s THR 1016Ca 0.00 -0.49 -0.25 0.00 -1.21 0.00 0.00 61.69 59.74 1rpm s THR 1016Cb 0.00 -0.78 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1rpm s THR 1016CO 0.00 -0.27 0.65 -0.70 -2.21 0.00 0.00 174.62 172.09 1rpm s GLU 1017N -1.80 0.86 -0.29 7.08 2.56 -0.59 -4.96 118.70 121.57 1rpm s GLU 1017Ca -0.10 0.64 -0.07 0.00 0.00 0.00 0.00 54.97 55.44 1rpm s GLU 1017Cb -0.03 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.52 1rpm s GLU 1017CO 0.02 -0.18 0.08 -1.50 -0.56 0.00 0.00 175.26 173.12 1rpm s ILE 1018N -0.26 4.00 -0.89 -3.70 1.10 -1.26 -0.78 121.20 119.41 1rpm s ILE 1018Ca -0.04 -0.62 -0.11 0.00 -0.51 0.00 0.00 60.65 59.37 1rpm s ILE 1018Cb -0.03 -3.03 0.23 0.00 0.15 0.00 0.00 42.46 39.78 1rpm s ILE 1018CO 0.04 0.12 0.83 -0.31 -2.11 0.00 0.00 174.94 173.52 1rpm s TYR 1019N 1.52 3.89 0.00 3.50 2.02 0.93 -4.91 117.35 124.29 1rpm s TYR 1019Ca 0.03 -2.34 0.00 0.00 -0.37 0.00 0.00 57.07 54.39 1rpm s TYR 1019Cb -0.17 -3.72 0.00 0.00 -0.40 0.00 0.00 41.96 37.67 1rpm s TYR 1019CO 0.02 -0.95 0.00 1.63 -1.57 0.00 0.00 175.55 174.69 1rpm n LYS 1020N 3.43 0.00 -0.01 -0.62 4.01 -1.26 -1.85 118.16 121.87 1rpm n LYS 1020Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1rpm n LYS 1020Cb 0.43 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.96 1rpm n LYS 1020CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1rpm n ASP 1021N 4.91 1.65 -4.35 4.39 5.68 -1.26 -4.96 116.55 122.62 1rpm n ASP 1021Ca 0.00 -1.61 -0.36 0.00 -0.50 0.00 0.00 54.79 52.32 1rpm n ASP 1021Cb 0.00 -0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 39.84 1rpm n ASP 1021CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1rpm s ILE 1022N -0.62 3.71 -0.18 2.12 1.01 -0.77 -1.00 121.20 125.46 1rpm s ILE 1022Ca 0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1rpm s ILE 1022Cb 0.01 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1rpm s ILE 1022CO 0.01 0.32 0.16 -0.75 0.00 0.00 0.00 174.94 174.68 1rpm s LYS 1023N 1.51 4.08 -0.15 2.79 2.20 0.75 -0.05 119.74 130.88 1rpm s LYS 1023Ca 0.05 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1rpm s LYS 1023Cb -0.15 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1rpm s LYS 1023CO -0.00 0.37 -0.16 0.08 -0.36 0.00 0.00 175.35 175.28 1rpm s VAL 1024N 0.14 1.69 -0.16 4.02 1.01 0.04 -0.89 120.40 126.26 1rpm s VAL 1024Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1rpm s VAL 1024Cb -0.12 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1rpm s VAL 1024CO 0.00 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 1rpm s THR 1025N 1.35 2.02 -0.03 3.92 2.01 -0.69 -1.54 115.64 122.68 1rpm s THR 1025Ca 0.03 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1rpm s THR 1025Cb -0.13 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 1rpm s THR 1025CO -0.10 0.54 1.49 -0.22 -0.69 0.00 0.00 174.62 175.64 1rpm s LEU 1026N 1.07 4.31 -0.01 4.42 2.96 0.64 -0.76 118.68 131.31 1rpm s LEU 1026Ca -0.01 2.14 0.08 0.00 -0.22 0.00 0.00 54.13 56.12 1rpm s LEU 1026Cb -0.14 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 1rpm s LEU 1026CO -0.07 -0.81 0.20 -0.38 -1.32 0.00 0.00 176.35 173.97 1rpm n ILE 1027N 5.02 0.00 -3.55 6.68 -0.00 0.35 -4.88 119.36 122.98 1rpm n ILE 1027Ca 0.15 -0.21 -0.09 0.00 -0.00 0.00 0.00 62.75 62.60 1rpm n ILE 1027Cb 0.43 0.44 -0.03 0.00 -0.00 0.00 0.00 39.64 40.48 1rpm n ILE 1027CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1rpm s GLU 1028N -2.40 0.66 -0.06 0.38 2.12 -1.12 -4.96 118.70 113.31 1rpm s GLU 1028Ca -0.02 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 1rpm s GLU 1028Cb 0.05 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.79 1rpm s GLU 1028CO 0.33 -0.25 0.11 0.99 -0.54 0.00 0.00 175.26 175.90 1rpm s THR 1029N -2.15 -0.17 -0.19 -1.70 2.01 -1.26 -1.39 115.64 110.80 1rpm s THR 1029Ca 0.03 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1rpm s THR 1029Cb -0.01 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.32 1rpm s THR 1029CO -0.04 0.15 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.18 1rpm s GLU 1030N 2.04 2.55 -0.17 4.92 2.12 0.01 -4.97 118.70 125.20 1rpm s GLU 1030Ca 0.02 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 1rpm s GLU 1030Cb -0.12 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 1rpm s GLU 1030CO -0.04 -0.31 0.20 -1.17 -0.54 0.00 0.00 175.26 173.40 1rpm s LEU 1031N 1.33 4.24 0.35 2.70 2.96 -1.26 -0.02 118.68 128.98 1rpm s LEU 1031Ca 0.02 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1rpm s LEU 1031Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1rpm s LEU 1031CO -0.11 0.17 0.12 -0.76 -1.32 0.00 0.00 176.35 174.45 1rpm s LEU 1032N 0.24 1.92 0.07 -0.68 1.02 -0.41 -5.02 118.68 115.83 1rpm s LEU 1032Ca 0.12 -1.54 -0.14 0.00 0.02 0.00 0.00 54.13 52.59 1rpm s LEU 1032Cb -0.12 -0.09 -0.03 0.00 0.02 0.00 0.00 46.19 45.97 1rpm s LEU 1032CO 0.01 -0.82 1.24 0.00 0.02 0.00 0.00 176.35 176.80 1rpm n ALA 1033N -0.73 -0.29 -1.00 4.21 0.00 -1.26 -3.22 120.51 118.22 1rpm n ALA 1033Ca -0.03 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.89 1rpm n ALA 1033Cb 0.65 0.21 0.20 0.00 0.00 0.00 0.00 19.45 20.51 1rpm n ALA 1033CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rpm n GLU 1034N -4.03 2.18 -3.61 0.00 1.02 -1.26 -4.90 120.64 110.03 1rpm n GLU 1034Ca 0.01 -2.69 -0.07 0.00 -0.02 0.00 0.00 57.16 54.39 1rpm n GLU 1034Cb 0.12 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1rpm n GLU 1034CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1rpm s TYR 1035N -2.79 -0.27 0.02 -0.32 1.13 -1.20 -1.01 117.35 112.91 1rpm s TYR 1035Ca 0.37 0.04 0.05 0.00 -1.41 0.00 0.00 57.07 56.12 1rpm s TYR 1035Cb 0.30 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.74 1rpm s TYR 1035CO 0.06 -0.73 -0.15 0.08 -2.51 0.00 0.00 175.55 172.31 1rpm s VAL 1036N -3.29 1.18 -0.25 -3.49 1.01 -0.53 -1.29 120.40 113.74 1rpm s VAL 1036Ca 0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1rpm s VAL 1036Cb -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1rpm s VAL 1036CO -0.04 0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 174.56 1rpm s ILE 1037N -0.65 3.38 -0.23 2.22 1.01 0.97 -1.64 121.20 126.26 1rpm s ILE 1037Ca 0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1rpm s ILE 1037Cb -0.07 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1rpm s ILE 1037CO 0.01 0.26 0.08 -0.13 0.00 0.00 0.00 174.94 175.15 1rpm s ARG 1038N 1.44 3.76 -0.16 2.79 0.52 -0.46 -0.81 118.95 126.04 1rpm s ARG 1038Ca 0.03 -0.43 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1rpm s ARG 1038Cb -0.16 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1rpm s ARG 1038CO -0.02 -0.06 0.09 0.99 0.02 0.00 0.00 175.30 176.32 1rpm s THR 1039N 1.28 5.04 0.19 0.02 2.01 -0.49 -0.65 115.64 123.04 1rpm s THR 1039Ca 0.05 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.19 1rpm s THR 1039Cb -0.15 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1rpm s THR 1039CO 0.04 0.51 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.92 1rpm s PHE 1040N -0.14 2.03 -0.36 4.92 0.40 0.10 -0.49 117.98 124.44 1rpm s PHE 1040Ca 0.08 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1rpm s PHE 1040Cb -0.12 -1.00 0.08 0.00 0.51 0.00 0.00 43.02 42.49 1rpm s PHE 1040CO 0.01 0.43 0.13 0.00 0.70 0.00 0.00 175.22 176.48 1rpm s ALA 1041N -1.97 3.04 -0.12 5.36 0.00 0.06 -1.81 121.76 126.32 1rpm s ALA 1041Ca 0.19 -2.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.00 1rpm s ALA 1041Cb -0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1rpm s ALA 1041CO 0.08 -1.54 0.00 0.08 0.00 0.00 0.00 175.76 174.39 1rpm s VAL 1042N 1.25 4.31 0.02 0.00 1.01 0.37 -1.70 120.40 125.65 1rpm s VAL 1042Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1rpm s VAL 1042Cb -0.21 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1rpm s VAL 1042CO -0.01 0.55 -0.07 -1.61 0.00 0.00 0.00 175.10 173.95 1rpm s GLU 1043N -0.33 0.52 0.02 2.72 2.02 -0.07 -1.15 118.70 122.43 1rpm s GLU 1043Ca 0.07 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.57 1rpm s GLU 1043Cb -0.12 -0.39 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 1rpm s GLU 1043CO 0.02 0.09 -0.13 0.21 0.02 0.00 0.00 175.26 175.46 1rpm s LYS 1044N -1.01 2.29 0.19 1.61 2.47 -1.26 -0.18 119.74 123.85 1rpm s LYS 1044Ca -0.05 -0.86 -0.31 0.00 -1.56 0.00 0.00 55.97 53.19 1rpm s LYS 1044Cb -0.07 -2.32 -0.10 0.00 -1.46 0.00 0.00 37.83 33.88 1rpm s LYS 1044CO 0.00 0.57 1.51 -0.98 0.16 0.00 0.00 175.35 176.61 1rpm s ARG 1045N -1.37 4.24 0.00 4.03 1.70 -0.17 -2.51 118.95 124.87 1rpm s ARG 1045Ca 0.15 2.31 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 1rpm s ARG 1045Cb -0.11 -3.15 0.00 0.00 -0.57 0.00 0.00 34.95 31.12 1rpm s ARG 1045CO 0.06 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1rpm n GLY 1046N 3.23 1.40 3.30 3.88 0.00 -1.26 -4.98 105.19 110.76 1rpm n GLY 1046Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1rpm n GLY 1046CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rpm s VAL 1047N -3.71 3.81 -1.25 1.61 1.01 -1.04 -5.01 120.40 115.82 1rpm s VAL 1047Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1rpm s VAL 1047Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1rpm s VAL 1047CO 0.00 -0.02 1.89 0.00 0.00 0.00 0.00 175.10 176.97 1rpm n HIS 1048N 4.83 3.75 -3.58 5.22 1.44 -1.26 -4.47 115.22 121.15 1rpm n HIS 1048Ca -0.14 -2.44 -0.16 0.00 -2.01 0.00 0.00 57.72 52.98 1rpm n HIS 1048Cb 0.46 -2.54 -0.06 0.00 0.12 0.00 0.00 29.99 27.98 1rpm n HIS 1048CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1rpm s GLU 1049N 4.67 0.98 -0.09 -1.40 2.12 -1.26 -5.14 118.70 118.57 1rpm s GLU 1049Ca 0.57 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1rpm s GLU 1049Cb 0.06 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.93 1rpm s GLU 1049CO 0.07 -0.31 -0.01 0.42 -0.54 0.00 0.00 175.26 174.89 1rpm s ILE 1050N -1.54 0.50 -0.08 -3.70 1.01 -1.26 -4.53 121.20 111.60 1rpm s ILE 1050Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1rpm s ILE 1050Cb -0.01 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1rpm s ILE 1050CO 0.06 0.21 -0.04 -0.13 0.00 0.00 0.00 174.94 175.04 1rpm s ARG 1051N 1.91 2.87 -0.29 2.79 0.52 -0.30 -4.91 118.95 121.54 1rpm s ARG 1051Ca 0.04 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.57 1rpm s ARG 1051Cb -0.13 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1rpm s ARG 1051CO -0.06 0.66 0.52 -2.00 0.02 0.00 0.00 175.30 174.43 1rpm s GLU 1052N -0.78 3.92 -0.12 3.54 2.12 -1.26 -0.48 118.70 125.64 1rpm s GLU 1052Ca 0.12 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.63 1rpm s GLU 1052Cb -0.11 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.59 1rpm s GLU 1052CO 0.02 -0.45 -0.16 0.42 -0.54 0.00 0.00 175.26 174.54 1rpm s ILE 1053N 2.35 1.61 -0.11 -3.70 1.01 -0.75 -4.84 121.20 116.78 1rpm s ILE 1053Ca 0.20 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1rpm s ILE 1053Cb -0.15 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1rpm s ILE 1053CO 0.11 0.46 0.05 -0.13 0.00 0.00 0.00 174.94 175.43 1rpm s ARG 1054N 1.01 3.26 -0.24 2.79 0.52 -0.17 -0.72 118.95 125.40 1rpm s ARG 1054Ca -0.05 -0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 1rpm s ARG 1054Cb -0.15 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1rpm s ARG 1054CO -0.03 0.66 0.06 -1.14 0.02 0.00 0.00 175.30 174.87 1rpm s GLN 1055N -0.75 3.65 -0.49 3.54 0.74 0.18 -0.39 119.66 126.13 1rpm s GLN 1055Ca 0.12 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.91 1rpm s GLN 1055Cb -0.12 -3.27 0.11 0.00 1.10 0.00 0.00 33.01 30.83 1rpm s GLN 1055CO 0.03 -0.15 0.41 -0.06 -0.55 0.00 0.00 175.29 174.97 1rpm s PHE 1056N 1.49 3.30 -0.58 1.67 0.40 0.13 -1.35 117.98 123.03 1rpm s PHE 1056Ca 0.06 -1.37 -0.17 0.00 -0.60 0.00 0.00 56.93 54.85 1rpm s PHE 1056Cb -0.15 -3.47 0.12 0.00 0.51 0.00 0.00 43.02 40.03 1rpm s PHE 1056CO 0.03 -0.94 0.62 -1.58 0.70 0.00 0.00 175.22 174.05 1rpm s HIS 1057N 1.53 3.14 -0.30 0.36 2.46 -0.65 -0.96 115.29 120.87 1rpm s HIS 1057Ca 0.04 -1.16 -0.29 0.00 0.47 0.00 0.00 55.06 54.12 1rpm s HIS 1057Cb -0.27 -3.92 0.01 0.00 -0.13 0.00 0.00 32.58 28.27 1rpm s HIS 1057CO 0.03 -1.17 1.18 0.12 -2.47 0.00 0.00 174.74 172.43 1rpm s PHE 1058N 2.10 2.95 -1.93 3.88 5.36 -0.07 -1.45 117.98 128.81 1rpm s PHE 1058Ca 0.08 1.05 0.18 0.00 -0.96 0.00 0.00 56.93 57.29 1rpm s PHE 1058Cb -0.26 -3.76 0.06 0.00 -0.34 0.00 0.00 43.02 38.72 1rpm s PHE 1058CO 0.04 -1.21 0.99 0.25 -1.46 0.00 0.00 175.22 173.83 1rpm n THR 1059N 5.95 0.00 0.87 0.12 -2.24 -0.18 -4.02 114.28 114.79 1rpm n THR 1059Ca 0.13 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1rpm n THR 1059Cb 0.47 1.28 0.12 0.00 -2.10 0.00 0.00 70.33 70.10 1rpm n THR 1059CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rpm n GLY 1060N 1.17 0.92 3.67 3.38 0.00 -0.59 -4.86 105.19 108.88 1rpm n GLY 1060Ca 0.09 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1rpm n GLY 1060CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rpm s TRP 1061N -1.63 3.38 0.62 1.61 -0.11 -1.26 -4.81 118.94 116.74 1rpm s TRP 1061Ca 0.17 0.79 -0.19 0.00 1.22 0.00 0.00 56.10 58.08 1rpm s TRP 1061Cb 0.11 -2.66 -0.03 0.00 -1.50 0.00 0.00 33.47 29.39 1rpm s TRP 1061CO 0.08 -0.08 1.22 -0.35 -4.62 0.00 0.00 176.95 173.21 1rpm n PRO 1062N 4.69 1.16 0.33 5.86 -0.04 -1.26 -4.88 135.00 140.86 1rpm n PRO 1062Ca -0.05 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1rpm n PRO 1062Cb 0.50 -2.45 0.72 0.00 -0.04 0.00 0.00 33.50 32.23 1rpm n PRO 1062CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rpm h ASP 1063N 0.68 0.00 -5.02 3.54 1.82 -1.98 -3.41 116.42 112.05 1rpm h ASP 1063Ca -0.50 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.06 1rpm h ASP 1063Cb 1.34 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 41.18 1rpm h ASP 1063CO 0.53 0.00 -0.06 -1.38 -1.61 0.00 0.00 179.24 176.72 1rpm s HIS 1064N -4.10 -0.34 0.00 0.28 -3.43 -1.26 -4.83 115.29 101.61 1rpm s HIS 1064Ca -0.03 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 1rpm s HIS 1064Cb 0.08 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1rpm s HIS 1064CO 0.25 -0.56 0.00 0.41 -2.00 0.00 0.00 174.74 172.84 1rpm n GLY 1065N 0.69 0.55 3.35 -1.38 0.00 -1.26 -4.89 105.19 102.25 1rpm n GLY 1065Ca -0.19 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1rpm n GLY 1065CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rpm s VAL 1066N 0.00 1.11 0.42 1.61 -7.23 -1.26 -4.77 120.40 110.28 1rpm s VAL 1066Ca 0.00 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 57.88 1rpm s VAL 1066Cb 0.00 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 1rpm s VAL 1066CO 0.00 -0.29 1.12 -2.65 -0.31 0.00 0.00 175.10 172.96 1rpm n PRO 1067N -0.46 1.57 0.12 4.82 -0.02 -1.26 -4.80 135.00 134.97 1rpm n PRO 1067Ca -0.05 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1rpm n PRO 1067Cb 0.64 -2.17 0.23 0.00 -0.02 0.00 0.00 33.50 32.18 1rpm n PRO 1067CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1rpm h TYR 1068N 1.76 0.18 -3.70 6.00 3.20 -1.98 -3.41 116.97 119.02 1rpm h TYR 1068Ca -0.46 -0.05 -0.52 0.00 3.14 0.00 0.00 58.73 60.84 1rpm h TYR 1068Cb 1.32 -0.04 -0.32 0.00 1.54 0.00 0.00 36.73 39.23 1rpm h TYR 1068CO 0.45 0.59 -0.82 -1.01 -1.64 0.00 0.00 178.16 175.73 1rpm s HIS 1069N -4.02 1.50 -1.02 -3.82 3.76 -1.26 -4.99 115.29 105.43 1rpm s HIS 1069Ca -0.04 -0.47 0.27 0.00 -0.15 0.00 0.00 55.06 54.67 1rpm s HIS 1069Cb 0.13 -1.05 1.15 0.00 1.11 0.00 0.00 32.58 33.93 1rpm s HIS 1069CO 0.76 -0.20 1.86 0.00 -0.85 0.00 0.00 174.74 176.31 1rpm n ALA 1070N 3.42 2.23 -0.26 -1.40 0.00 -1.26 -4.16 120.51 119.08 1rpm n ALA 1070Ca -0.20 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1rpm n ALA 1070Cb 0.53 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.64 1rpm n ALA 1070CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rpm h THR 1071N 0.00 0.27 -0.31 0.00 2.02 -1.95 -0.43 112.91 112.50 1rpm h THR 1071Ca 0.00 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1rpm h THR 1071Cb 0.45 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1rpm h THR 1071CO 0.00 0.00 0.09 1.23 0.37 0.00 0.00 175.52 177.21 1rpm h GLY 1072N 0.01 0.52 1.82 2.16 0.00 -2.00 -0.29 103.07 105.29 1rpm h GLY 1072Ca 0.36 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1rpm h GLY 1072CO -0.75 0.30 -0.31 -2.00 0.00 0.00 0.00 176.54 173.77 1rpm h LEU 1073N 0.34 0.21 -0.32 3.11 5.85 -1.70 -0.51 115.31 122.30 1rpm h LEU 1073Ca 0.10 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1rpm h LEU 1073Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1rpm h LEU 1073CO -0.00 0.52 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.50 1rpm h LEU 1074N 0.19 0.61 -0.66 2.25 3.38 -0.80 -0.31 115.31 119.97 1rpm h LEU 1074Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1rpm h LEU 1074Cb 0.65 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1rpm h LEU 1074CO 0.05 0.81 0.36 1.23 0.09 0.00 0.00 178.44 180.98 1rpm h GLY 1075N 0.39 0.98 0.89 0.83 0.00 -0.70 -2.57 103.07 102.90 1rpm h GLY 1075Ca 0.09 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1rpm h GLY 1075CO 0.03 0.43 0.30 -2.75 0.00 0.00 0.00 176.54 174.55 1rpm h PHE 1076N 0.90 0.57 -0.33 5.60 3.57 -0.79 -2.66 116.94 123.81 1rpm h PHE 1076Ca 0.23 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1rpm h PHE 1076Cb 0.04 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1rpm h PHE 1076CO -0.01 0.33 0.16 0.28 -2.23 0.00 0.00 178.31 176.84 1rpm h VAL 1077N 0.60 0.98 -0.11 1.41 2.07 -0.78 -1.52 116.25 118.90 1rpm h VAL 1077Ca 0.20 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1rpm h VAL 1077Cb 0.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1rpm h VAL 1077CO -0.09 0.06 -0.11 0.03 0.02 0.00 0.00 177.57 177.48 1rpm h ARG 1078N 0.33 0.17 -0.27 1.57 2.47 -1.35 0.19 114.38 117.50 1rpm h ARG 1078Ca 0.14 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.72 1rpm h ARG 1078Cb 0.05 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1rpm h ARG 1078CO -0.10 0.29 -0.23 0.37 0.56 0.00 0.00 179.97 180.86 1rpm h GLN 1079N 0.17 0.64 -0.19 0.04 5.75 -1.09 -0.32 115.11 120.10 1rpm h GLN 1079Ca 0.04 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1rpm h GLN 1079Cb 0.30 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1rpm h GLN 1079CO 0.02 0.92 0.05 0.28 -2.65 0.00 0.00 178.83 177.45 1rpm h VAL 1080N 0.36 1.20 -0.36 2.39 2.07 -0.51 -0.24 116.25 121.16 1rpm h VAL 1080Ca 0.05 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1rpm h VAL 1080Cb 0.79 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1rpm h VAL 1080CO 0.06 0.20 0.22 0.11 0.02 0.00 0.00 177.57 178.17 1rpm h LYS 1081N 0.11 0.43 -0.16 1.57 1.57 -0.96 -0.90 116.57 118.23 1rpm h LYS 1081Ca 0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1rpm h LYS 1081Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1rpm h LYS 1081CO 0.00 0.28 -0.03 0.66 -0.57 0.00 0.00 179.45 179.79 1rpm h SER 1082N 0.44 0.31 1.00 0.86 4.64 -0.98 -3.28 113.55 116.54 1rpm h SER 1082Ca 0.14 -0.36 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 1rpm h SER 1082Cb -0.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1rpm h SER 1082CO -0.06 0.59 -0.47 0.11 -0.87 0.00 0.00 176.83 176.13 1rpm h LYS 1083N 0.02 0.00 -6.24 4.77 1.57 -0.99 -3.45 116.57 112.25 1rpm h LYS 1083Ca 0.04 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.26 1rpm h LYS 1083Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1rpm h LYS 1083CO 0.01 0.47 1.02 -1.12 -0.57 0.00 0.00 179.45 179.27 1rpm s SER 1084N -6.49 6.68 -0.01 0.86 0.01 -0.35 -4.97 113.70 109.43 1rpm s SER 1084Ca 0.01 1.77 -0.32 0.00 1.31 0.00 0.00 55.95 58.72 1rpm s SER 1084Cb 0.10 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1rpm s SER 1084CO 0.72 -0.98 1.94 -2.65 0.41 0.00 0.00 173.24 172.68 1rpm n PRO 1085N 7.13 2.62 0.00 12.44 -0.02 -1.26 -4.85 135.00 151.06 1rpm n PRO 1085Ca 0.16 0.96 0.03 0.00 -2.02 0.00 0.00 63.50 62.64 1rpm n PRO 1085Cb 0.45 -2.88 0.19 0.00 -0.02 0.00 0.00 33.50 31.24 1rpm n PRO 1085CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rpm n PRO 1086N 7.17 0.18 0.00 0.52 -0.04 -1.26 -1.39 135.00 140.18 1rpm n PRO 1086Ca 0.21 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 1rpm n PRO 1086Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1rpm n PRO 1086CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rpm n SER 1087N -1.09 1.20 -4.46 3.54 2.88 -1.26 -5.04 113.62 109.39 1rpm n SER 1087Ca 0.05 -1.10 -0.28 0.00 -1.33 0.00 0.00 58.87 56.21 1rpm n SER 1087Cb 0.03 0.67 0.14 0.00 -0.75 0.00 0.00 64.21 64.30 1rpm n SER 1087CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rpm s ALA 1088N -1.96 2.71 1.07 -1.46 0.00 -0.49 -5.09 121.76 116.54 1rpm s ALA 1088Ca 0.09 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1rpm s ALA 1088Cb 0.11 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.71 1rpm s ALA 1088CO 0.44 -1.98 0.42 0.41 0.00 0.00 0.00 175.76 175.05 1rpm n GLY 1089N -3.41 -2.31 3.73 0.00 0.00 0.12 -4.99 105.19 98.33 1rpm n GLY 1089Ca 0.13 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1rpm n GLY 1089CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rpm s PRO 1090N -3.96 2.42 0.01 1.61 0.04 -1.26 -4.57 135.00 129.30 1rpm s PRO 1090Ca 0.27 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 1rpm s PRO 1090Cb -0.02 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1rpm s PRO 1090CO 0.20 -1.64 1.03 -0.51 0.04 0.00 0.00 177.00 176.12 1rpm s LEU 1091N -4.72 4.36 -0.29 -3.56 1.43 -0.19 -4.52 118.68 111.19 1rpm s LEU 1091Ca 0.77 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 55.41 1rpm s LEU 1091Cb -0.32 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 1rpm s LEU 1091CO 0.41 -0.32 0.60 -0.69 0.23 0.00 0.00 176.35 176.59 1rpm s VAL 1092N 1.07 4.97 -0.05 -1.59 1.01 -0.99 -1.09 120.40 123.73 1rpm s VAL 1092Ca 0.53 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.44 1rpm s VAL 1092Cb -0.23 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1rpm s VAL 1092CO 0.28 -0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.46 1rpm s VAL 1093N 2.53 2.95 -0.04 2.92 1.01 0.07 0.13 120.40 129.96 1rpm s VAL 1093Ca 0.24 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1rpm s VAL 1093Cb -0.15 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1rpm s VAL 1093CO 0.11 0.59 0.66 -1.38 0.00 0.00 0.00 175.10 175.07 1rpm s HIS 1094N -0.63 -0.63 0.00 5.22 -3.43 0.02 -1.03 115.29 114.80 1rpm s HIS 1094Ca 0.09 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 1rpm s HIS 1094Cb -0.11 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1rpm s HIS 1094CO 0.01 -0.60 0.00 0.00 -2.00 0.00 0.00 174.74 172.15 1rpm n SER 1096N 0.00 1.89 0.01 0.00 2.88 -1.26 -2.32 113.62 114.82 1rpm n SER 1096Ca 0.00 0.44 -0.07 0.00 -1.33 0.00 0.00 58.87 57.91 1rpm n SER 1096Cb 0.00 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 62.54 1rpm n SER 1096CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rpm h ALA 1097N -0.98 0.67 -0.48 -1.46 0.00 -1.87 -0.44 119.26 114.69 1rpm h ALA 1097Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1rpm h ALA 1097Cb 0.87 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rpm h ALA 1097CO -0.03 1.42 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1rpm n GLY 1098N 1.49 0.99 1.84 0.00 0.00 -1.24 -3.95 105.19 104.31 1rpm n GLY 1098Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1rpm n GLY 1098CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpm n ALA 1099N -1.25 3.00 -0.78 4.61 0.00 -1.26 -4.43 120.51 120.40 1rpm n ALA 1099Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rpm n ALA 1099Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1rpm n ALA 1099CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rpm n GLY 1100N 1.79 -1.04 0.21 0.00 0.00 -1.26 -1.07 105.19 103.82 1rpm n GLY 1100Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1rpm n GLY 1100CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rpm h ARG 1101N 0.00 0.00 -0.24 1.61 3.08 -1.96 -0.01 114.38 116.86 1rpm h ARG 1101Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1rpm h ARG 1101Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1rpm h ARG 1101CO 0.00 0.28 0.09 1.15 -1.07 0.00 0.00 179.97 180.42 1rpm h THR 1102N 0.00 1.18 -0.44 2.04 2.02 -1.89 -1.60 112.91 114.22 1rpm h THR 1102Ca -0.00 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1rpm h THR 1102Cb 0.51 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1rpm h THR 1102CO 0.04 0.18 -0.00 1.23 0.37 0.00 0.00 175.52 177.34 1rpm h GLY 1103N 0.23 0.77 0.85 2.16 0.00 -0.41 -1.96 103.07 104.71 1rpm h GLY 1103Ca 0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1rpm h GLY 1103CO -0.01 0.47 0.01 0.00 0.00 0.00 0.00 176.54 177.01 1rpm h PHE 1105N -0.14 -0.81 -0.44 0.00 3.57 -1.19 -1.77 116.94 116.17 1rpm h PHE 1105Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1rpm h PHE 1105Cb 0.16 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1rpm h PHE 1105CO -0.02 -0.45 0.15 0.82 -2.23 0.00 0.00 178.31 176.58 1rpm h ILE 1106N -0.70 0.85 -0.53 1.41 2.04 -1.33 0.38 117.51 119.63 1rpm h ILE 1106Ca -0.04 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1rpm h ILE 1106Cb 0.60 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1rpm h ILE 1106CO -0.00 0.06 0.15 0.58 0.00 0.00 0.00 178.15 178.94 1rpm h VAL 1107N 0.31 1.24 -0.74 1.67 2.07 -0.95 -1.65 116.25 118.20 1rpm h VAL 1107Ca 0.21 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1rpm h VAL 1107Cb 0.21 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1rpm h VAL 1107CO -0.22 0.30 0.39 0.40 0.02 0.00 0.00 177.57 178.46 1rpm h ILE 1108N 0.73 1.23 -0.38 4.57 2.04 -0.90 -1.66 117.51 123.15 1rpm h ILE 1108Ca 0.17 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1rpm h ILE 1108Cb 0.30 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1rpm h ILE 1108CO -0.00 0.26 0.14 -0.78 0.00 0.00 0.00 178.15 177.76 1rpm h ASP 1109N 1.02 0.53 -0.24 1.72 3.58 -0.58 -2.11 116.42 120.35 1rpm h ASP 1109Ca 0.26 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 1rpm h ASP 1109Cb 0.06 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1rpm h ASP 1109CO -0.04 0.57 -0.04 0.40 -2.88 0.00 0.00 179.24 177.26 1rpm h ILE 1110N 0.46 1.28 0.00 2.25 2.04 -1.24 -3.16 117.51 119.13 1rpm h ILE 1110Ca 0.12 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 1rpm h ILE 1110Cb 0.22 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1rpm h ILE 1110CO -0.01 0.31 -0.19 0.24 0.00 0.00 0.00 178.15 178.51 1rpm h MET 1111N 0.19 0.00 -0.07 2.37 2.86 -1.25 -1.54 114.93 117.50 1rpm h MET 1111Ca 0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1rpm h MET 1111Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1rpm h MET 1111CO 0.02 0.19 -0.57 -0.07 1.06 0.00 0.00 176.91 177.54 1rpm h LEU 1112N 0.00 0.24 -0.30 1.22 3.38 -1.39 -0.11 115.31 118.35 1rpm h LEU 1112Ca -0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1rpm h LEU 1112Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rpm h LEU 1112CO 0.02 0.75 0.00 0.44 0.09 0.00 0.00 178.44 179.75 1rpm h ASP 1113N 0.16 0.51 -0.33 -0.43 3.32 -1.28 -0.60 116.42 117.77 1rpm h ASP 1113Ca -0.00 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 1rpm h ASP 1113Cb 1.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1rpm h ASP 1113CO 0.09 0.69 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.18 1rpm h MET 1114N 0.32 0.65 -0.73 3.56 4.05 -1.24 -1.07 114.93 120.46 1rpm h MET 1114Ca 0.08 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.28 1rpm h MET 1114Cb 0.43 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 1rpm h MET 1114CO 0.01 0.83 0.46 0.00 0.23 0.00 0.00 176.91 178.45 1rpm h ALA 1115N 0.80 0.96 0.69 0.39 0.00 -0.93 0.43 119.26 121.60 1rpm h ALA 1115Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1rpm h ALA 1115Cb 0.60 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rpm h ALA 1115CO 0.04 0.25 -0.33 1.49 0.00 0.00 0.00 179.25 180.70 1rpm h GLU 1116N 0.90 -0.89 0.00 0.00 4.22 -0.96 0.40 114.58 118.25 1rpm h GLU 1116Ca 0.29 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1rpm h GLU 1116Cb 0.01 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1rpm h GLU 1116CO -0.11 -0.56 0.00 0.54 -2.18 0.00 0.00 179.01 176.70 1rpm n ARG 1117N -5.42 0.19 0.00 1.92 3.00 -0.42 -4.21 116.66 111.71 1rpm n ARG 1117Ca -0.13 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1rpm n ARG 1117Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.34 1rpm n ARG 1117CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1rpm n GLU 1118N -1.38 0.00 -1.40 5.56 1.02 0.15 -5.01 120.64 119.58 1rpm n GLU 1118Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1rpm n GLU 1118Cb 0.22 -0.03 -0.05 0.00 -0.02 0.00 0.00 31.44 31.56 1rpm n GLU 1118CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rpm n GLY 1119N 0.00 1.30 2.95 0.62 0.00 0.13 -4.98 105.19 105.21 1rpm n GLY 1119Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1rpm n GLY 1119CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpm s VAL 1120N -2.48 0.11 -0.02 1.61 0.11 -1.26 -0.80 120.40 117.67 1rpm s VAL 1120Ca 0.00 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 1rpm s VAL 1120Cb 0.00 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1rpm s VAL 1120CO 0.00 -0.29 -0.22 0.68 -3.33 0.00 0.00 175.10 171.94 1rpm s VAL 1121N -0.90 1.71 -0.50 2.04 -7.23 0.43 -3.30 120.40 112.65 1rpm s VAL 1121Ca -0.09 -0.92 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 1rpm s VAL 1121Cb -0.06 -1.42 0.27 0.00 0.56 0.00 0.00 36.38 35.73 1rpm s VAL 1121CO -0.01 0.48 0.68 -0.67 -0.31 0.00 0.00 175.10 175.28 1rpm n ASP 1122N 2.58 2.02 -0.00 4.85 -0.08 -1.26 -0.63 116.55 124.02 1rpm n ASP 1122Ca -0.15 -3.11 -0.10 0.00 -1.51 0.00 0.00 54.79 49.91 1rpm n ASP 1122Cb 0.53 -0.64 -0.05 0.00 2.34 0.00 0.00 41.12 43.30 1rpm n ASP 1122CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1rpm h ILE 1123N 2.39 0.90 -0.38 5.18 2.04 -1.97 -1.68 117.51 123.99 1rpm h ILE 1123Ca 0.13 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 1rpm h ILE 1123Cb 0.77 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1rpm h ILE 1123CO 0.64 0.00 -0.10 0.22 0.00 0.00 0.00 178.15 178.91 1rpm h TYR 1124N 0.00 -0.21 0.00 1.37 3.20 -2.00 -0.88 116.97 118.46 1rpm h TYR 1124Ca 0.05 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1rpm h TYR 1124Cb 0.07 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1rpm h TYR 1124CO -0.15 -0.17 -0.47 -0.91 -1.64 0.00 0.00 178.16 174.83 1rpm h ASN 1125N -0.01 0.00 -0.00 -2.11 2.35 -1.96 -1.60 115.58 112.25 1rpm h ASN 1125Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1rpm h ASN 1125Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1rpm h ASN 1125CO -0.39 0.47 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1rpm h VAL 1127N -0.15 1.21 -0.68 0.00 2.07 -1.09 0.64 116.25 118.26 1rpm h VAL 1127Ca 0.00 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.94 1rpm h VAL 1127Cb 0.15 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1rpm h VAL 1127CO -0.00 0.24 0.37 -0.09 0.02 0.00 0.00 177.57 178.12 1rpm h ARG 1128N 0.63 0.67 -0.35 1.57 2.43 -1.11 0.23 114.38 118.44 1rpm h ARG 1128Ca 0.16 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1rpm h ARG 1128Cb 0.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1rpm h ARG 1128CO -0.01 0.44 -0.02 1.49 -1.51 0.00 0.00 179.97 180.36 1rpm h GLU 1129N 0.69 0.63 -0.97 0.20 4.22 -0.17 -2.86 114.58 116.32 1rpm h GLU 1129Ca 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1rpm h GLU 1129Cb 0.20 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1rpm h GLU 1129CO -0.19 0.76 0.62 -0.07 -2.18 0.00 0.00 179.01 177.96 1rpm h LEU 1130N 0.43 1.14 -2.54 1.64 3.38 -0.17 -1.84 115.31 117.34 1rpm h LEU 1130Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rpm h LEU 1130Cb 0.49 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rpm h LEU 1130CO 0.02 0.84 -0.01 0.03 0.09 0.00 0.00 178.44 179.41 1rpm h ARG 1131N 1.33 0.00 0.00 1.13 3.08 -0.81 0.25 114.38 119.36 1rpm h ARG 1131Ca 0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 1rpm h ARG 1131Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1rpm h ARG 1131CO -0.07 0.01 -0.20 0.66 -1.07 0.00 0.00 179.97 179.30 1rpm h SER 1132N 0.00 0.00 0.16 7.04 4.64 -1.11 -3.27 113.55 121.01 1rpm h SER 1132Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1rpm h SER 1132Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1rpm h SER 1132CO 0.00 0.20 -1.79 0.03 -0.87 0.00 0.00 176.83 174.40 1rpm h ARG 1133N 0.00 0.34 -2.93 4.77 2.47 -0.95 -3.48 114.38 114.59 1rpm h ARG 1133Ca -0.00 -0.57 -0.12 0.00 -1.26 0.00 0.00 59.98 58.03 1rpm h ARG 1133Cb 1.05 0.21 -0.21 0.00 -1.65 0.00 0.00 29.97 29.38 1rpm h ARG 1133CO 0.03 1.28 -0.24 0.50 0.56 0.00 0.00 179.97 182.09 1rpm s ARG 1134N -2.56 0.66 0.31 0.04 3.52 -0.59 -4.51 118.95 115.82 1rpm s ARG 1134Ca -0.19 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 1rpm s ARG 1134Cb 0.06 0.30 -0.12 0.00 -1.56 0.00 0.00 34.95 33.62 1rpm s ARG 1134CO 0.81 -0.18 1.35 1.33 -0.81 0.00 0.00 175.30 177.81 1rpm n VAL 1135N 1.46 1.67 -3.15 7.11 0.24 -1.26 -3.92 118.33 120.48 1rpm n VAL 1135Ca -0.20 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.34 61.52 1rpm n VAL 1135Cb 0.56 -1.59 -0.02 0.00 -1.47 0.00 0.00 33.84 31.32 1rpm n VAL 1135CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rpm n ASN 1136N 1.20 -2.11 -4.67 -1.34 3.02 -1.26 -4.79 115.26 105.31 1rpm n ASN 1136Ca 0.07 -0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.04 1rpm n ASN 1136Cb 0.35 -1.85 -0.03 0.00 -0.61 0.00 0.00 39.78 37.64 1rpm n ASN 1136CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rpm n MET 1137N -3.16 2.05 -2.19 3.52 2.81 -1.25 -3.00 117.12 115.89 1rpm n MET 1137Ca 0.01 0.73 -0.04 0.00 -1.81 0.00 0.00 57.70 56.59 1rpm n MET 1137Cb 0.51 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 1rpm n MET 1137CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1rpm n VAL 1138N 2.23 -6.66 0.39 2.03 0.31 -0.23 -4.85 118.33 111.56 1rpm n VAL 1138Ca 0.13 0.45 0.14 0.00 -0.01 0.00 0.00 64.34 65.04 1rpm n VAL 1138Cb 0.31 -5.69 0.50 0.00 -0.91 0.00 0.00 33.84 28.05 1rpm n VAL 1138CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1rpm h GLN 1139N 1.01 0.00 -4.49 5.55 4.15 -1.74 -3.46 115.11 116.14 1rpm h GLN 1139Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1rpm h GLN 1139Cb 0.52 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.06 1rpm h GLN 1139CO 0.10 0.00 -0.68 0.95 -1.93 0.00 0.00 178.83 177.27 1rpm s THR 1140N -3.36 0.45 0.28 2.39 -4.23 -1.26 -5.03 115.64 104.88 1rpm s THR 1140Ca 0.05 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1rpm s THR 1140Cb 0.09 -1.70 0.05 0.00 1.34 0.00 0.00 72.50 72.28 1rpm s THR 1140CO 0.49 -0.84 1.70 -0.08 -0.54 0.00 0.00 174.62 175.34 1rpm h GLU 1141N 3.00 0.44 -0.46 3.99 4.22 -1.98 -1.61 114.58 122.18 1rpm h GLU 1141Ca -0.35 -0.18 -0.07 0.00 0.08 0.00 0.00 59.36 58.84 1rpm h GLU 1141Cb 1.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1rpm h GLU 1141CO 0.64 0.70 -0.02 1.49 -2.18 0.00 0.00 179.01 179.65 1rpm h GLU 1142N 0.38 0.77 -0.47 1.92 4.81 -1.98 0.44 114.58 120.44 1rpm h GLU 1142Ca 0.05 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1rpm h GLU 1142Cb 0.74 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1rpm h GLU 1142CO 0.06 0.79 -0.04 1.96 -0.73 0.00 0.00 179.01 181.04 1rpm h GLN 1143N 0.72 0.87 -0.70 1.92 4.20 -1.88 -1.33 115.11 118.90 1rpm h GLN 1143Ca 0.14 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1rpm h GLN 1143Cb 0.46 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1rpm h GLN 1143CO 0.02 0.93 0.45 -0.92 -0.67 0.00 0.00 178.83 178.64 1rpm h TYR 1144N 0.72 0.90 -0.14 2.96 3.20 -0.30 -1.88 116.97 122.43 1rpm h TYR 1144Ca 0.13 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 1rpm h TYR 1144Cb 0.57 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1rpm h TYR 1144CO 0.04 0.58 -0.56 0.28 -1.64 0.00 0.00 178.16 176.86 1rpm h VAL 1145N 0.95 1.34 -0.72 1.81 2.07 -0.87 -3.07 116.25 117.77 1rpm h VAL 1145Ca 0.26 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.94 1rpm h VAL 1145Cb -0.08 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1rpm h VAL 1145CO -0.05 0.56 0.48 0.15 0.02 0.00 0.00 177.57 178.73 1rpm h PHE 1146N 0.32 0.90 -0.69 1.57 3.57 -0.66 -1.35 116.94 120.60 1rpm h PHE 1146Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1rpm h PHE 1146Cb 1.08 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1rpm h PHE 1146CO 0.03 0.56 0.39 0.82 -2.23 0.00 0.00 178.31 177.88 1rpm h ILE 1147N 0.97 1.20 -0.27 1.41 2.04 -1.26 -0.35 117.51 121.24 1rpm h ILE 1147Ca 0.27 -0.49 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1rpm h ILE 1147Cb -0.10 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1rpm h ILE 1147CO -0.06 0.22 -0.42 0.45 0.00 0.00 0.00 178.15 178.34 1rpm h HIS 1148N 0.95 0.95 -0.72 1.37 3.86 -1.31 -1.82 115.15 118.43 1rpm h HIS 1148Ca 0.24 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1rpm h HIS 1148Cb 0.01 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1rpm h HIS 1148CO 0.01 1.11 0.27 -0.44 0.86 0.00 0.00 177.93 179.73 1rpm h ASP 1149N 0.51 1.02 -0.29 2.45 3.32 -0.90 -0.61 116.42 121.93 1rpm h ASP 1149Ca 0.02 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1rpm h ASP 1149Cb 1.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1rpm h ASP 1149CO 0.10 0.93 0.01 0.00 -1.72 0.00 0.00 179.24 178.55 1rpm h ALA 1150N 1.13 0.38 -0.25 3.45 0.00 -1.01 -0.30 119.26 122.66 1rpm h ALA 1150Ca 0.24 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1rpm h ALA 1150Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rpm h ALA 1150CO -0.02 0.11 -0.40 0.82 0.00 0.00 0.00 179.25 179.76 1rpm h ILE 1151N 0.29 1.30 -0.05 0.00 2.04 -1.27 -1.27 117.51 118.54 1rpm h ILE 1151Ca 0.08 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1rpm h ILE 1151Cb 0.41 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1rpm h ILE 1151CO 0.01 0.50 0.02 0.25 0.00 0.00 0.00 178.15 178.93 1rpm h LEU 1152N 0.48 0.08 -0.27 1.44 5.85 -1.01 0.73 115.31 122.60 1rpm h LEU 1152Ca 0.04 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1rpm h LEU 1152Cb 0.91 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1rpm h LEU 1152CO 0.08 0.26 0.06 -0.08 -0.34 0.00 0.00 178.44 178.42 1rpm h GLU 1153N -0.10 0.16 -0.64 1.25 4.81 -0.97 0.35 114.58 119.45 1rpm h GLU 1153Ca 0.02 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1rpm h GLU 1153Cb 0.21 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1rpm h GLU 1153CO -0.00 0.11 0.33 0.00 -0.73 0.00 0.00 179.01 178.72 1rpm h ALA 1154N 1.20 0.85 -0.03 2.92 0.00 -1.03 -1.96 119.26 121.20 1rpm h ALA 1154Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1rpm h ALA 1154Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rpm h ALA 1154CO -0.16 -0.01 -0.54 0.00 0.00 0.00 0.00 179.25 178.54