#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4s n MET 886 N 0.00 -2.16 -3.55 -0.72 2.81 -1.26 -5.02 117.12 107.22 3h4s n MET 886 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 3h4s n MET 886 Cb 0.00 -3.12 -0.05 0.00 -0.71 0.00 0.00 33.22 29.34 3h4s n MET 886 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3h4s s LYS 887 N -3.22 3.74 -0.53 0.03 -2.85 -1.26 -3.84 119.74 111.80 3h4s s LYS 887 Ca 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 3h4s s LYS 887 Cb 0.00 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 3h4s s LYS 887 CO 0.00 0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.31 3h4s n GLY 888 N 0.29 0.45 3.00 0.59 0.00 -1.09 -4.93 105.19 103.49 3h4s n GLY 888 Ca -0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 3h4s n GLY 888 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4s s LYS 889 N -3.43 0.61 -0.47 1.61 1.02 -1.25 0.14 119.74 117.96 3h4s s LYS 889 Ca 0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 3h4s s LYS 889 Cb 0.00 -0.59 0.12 0.00 -0.52 0.00 0.00 37.83 36.85 3h4s s LYS 889 CO 0.00 0.16 0.29 0.42 -0.92 0.00 0.00 175.35 175.31 3h4s s ILE 890 N -0.17 3.65 0.44 2.17 1.01 -0.00 -3.38 121.20 124.92 3h4s s ILE 890 Ca 0.03 -2.16 -0.20 0.00 0.00 0.00 0.00 60.65 58.32 3h4s s ILE 890 Cb -0.03 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3h4s s ILE 890 CO -0.00 -0.75 0.95 -0.13 0.00 0.00 0.00 174.94 175.00 3h4s s ARG 891 N 0.96 4.18 -0.04 2.79 0.52 -0.27 -3.06 118.95 124.03 3h4s s ARG 891 Ca 0.09 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.40 3h4s s ARG 891 Cb -0.23 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.08 3h4s s ARG 891 CO -0.03 -0.07 -0.07 0.08 0.02 0.00 0.00 175.30 175.24 3h4s s VAL 892 N -2.25 0.65 -0.06 3.52 1.01 -1.26 -0.35 120.40 121.66 3h4s s VAL 892 Ca 0.61 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3h4s s VAL 892 Cb -0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3h4s s VAL 892 CO 0.16 0.23 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 3h4s s TYR 893 N 0.56 2.54 -0.22 5.22 2.02 0.12 -1.23 117.35 126.36 3h4s s TYR 893 Ca -0.08 -0.59 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3h4s s TYR 893 Cb -0.12 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 3h4s s TYR 893 CO 0.01 -0.13 0.08 0.00 -1.57 0.00 0.00 175.55 173.94 3h4s s ARG 895 N 1.07 2.79 -0.25 0.00 3.52 -0.65 0.53 118.95 125.95 3h4s s ARG 895 Ca 0.05 -0.76 -0.13 0.00 -0.13 0.00 0.00 55.73 54.76 3h4s s ARG 895 Cb -0.14 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 3h4s s ARG 895 CO 0.03 -0.18 0.30 0.42 -0.81 0.00 0.00 175.30 175.06 3h4s s ILE 896 N 1.26 5.25 0.27 4.11 1.01 -0.05 -1.66 121.20 131.39 3h4s s ILE 896 Ca 0.03 0.45 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 3h4s s ILE 896 Cb -0.13 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 3h4s s ILE 896 CO -0.10 0.24 0.55 0.00 0.00 0.00 0.00 174.94 175.63 3h4s s ARG 897 N 1.59 3.67 0.88 2.79 1.70 -1.11 -2.40 118.95 126.07 3h4s s ARG 897 Ca 0.13 0.08 -0.11 0.00 -0.47 0.00 0.00 55.73 55.35 3h4s s ARG 897 Cb -0.15 -2.64 0.12 0.00 -0.57 0.00 0.00 34.95 31.71 3h4s s ARG 897 CO 0.08 0.24 1.09 -1.25 -1.08 0.00 0.00 175.30 174.38 3h4s s PRO 898 N -3.36 1.36 0.52 3.89 0.04 -1.26 -4.35 135.00 131.83 3h4s s PRO 898 Ca 0.45 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 3h4s s PRO 898 Cb -0.11 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 3h4s s PRO 898 CO 0.28 -2.18 1.25 1.28 0.04 0.00 0.00 177.00 177.67 3h4s n LEU 899 N -3.84 4.67 -4.95 -3.56 4.77 -1.26 -4.94 117.00 107.90 3h4s n LEU 899 Ca 0.07 0.99 -0.24 0.00 -0.03 0.00 0.00 56.01 56.80 3h4s n LEU 899 Cb 0.55 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.16 3h4s n LEU 899 CO 0.55 -0.86 0.40 0.54 -1.33 0.00 0.00 177.39 176.69 3h4s s ASN 900 N -0.86 5.52 0.32 -1.43 2.20 -1.26 -4.78 114.94 114.65 3h4s s ASN 900 Ca 0.69 0.33 0.08 0.00 -0.94 0.00 0.00 52.86 53.02 3h4s s ASN 900 Cb -0.45 -1.36 0.93 0.00 -2.00 0.00 0.00 41.25 38.37 3h4s s ASN 900 CO 0.52 -1.00 1.60 -0.08 -2.94 0.00 0.00 177.10 175.20 3h4s h GLU 901 N 0.07 0.08 0.39 3.55 4.57 -1.97 0.21 114.58 121.46 3h4s h GLU 901 Ca -0.45 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 3h4s h GLU 901 Cb 1.27 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3h4s h GLU 901 CO 0.57 0.05 -0.19 -0.22 -1.18 0.00 0.00 179.01 178.05 3h4s h LYS 902 N 0.08 -0.50 -0.55 1.92 1.63 -1.99 -0.27 116.57 116.89 3h4s h LYS 902 Ca 0.66 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.63 3h4s h LYS 902 Cb 1.51 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 33.22 3h4s h LYS 902 CO -0.79 -0.33 0.38 0.93 -3.45 0.00 0.00 179.45 176.19 3h4s h GLU 903 N -0.62 0.18 -0.28 1.90 5.08 -1.82 -0.15 114.58 118.87 3h4s h GLU 903 Ca -0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3h4s h GLU 903 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h4s h GLU 903 CO 0.09 0.12 -0.08 1.03 -1.00 0.00 0.00 179.01 179.16 3h4s h SER 904 N 0.18 0.55 -0.88 1.42 0.87 -0.55 -1.73 113.55 113.41 3h4s h SER 904 Ca 0.26 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3h4s h SER 904 Cb 0.79 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 3h4s h SER 904 CO -0.04 0.80 0.57 0.77 -0.53 0.00 0.00 176.83 178.40 3h4s h SER 905 N 0.30 0.97 0.17 6.23 4.64 0.80 0.12 113.55 126.77 3h4s h SER 905 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3h4s h SER 905 Cb 0.56 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3h4s h SER 905 CO 0.03 0.67 0.00 -0.62 -0.87 0.00 0.00 176.83 176.04 3h4s n GLU 906 N -4.51 0.61 -3.73 4.77 1.02 -0.81 -4.90 120.64 113.09 3h4s n GLU 906 Ca 0.11 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 57.02 3h4s n GLU 906 Cb 0.07 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.04 3h4s n GLU 906 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3h4s n ARG 907 N -1.11 -6.40 -1.71 3.49 3.00 0.41 -4.93 116.66 109.41 3h4s n ARG 907 Ca 0.16 0.71 -0.35 0.00 -0.00 0.00 0.00 57.85 58.36 3h4s n ARG 907 Cb 0.12 -5.62 0.06 0.00 0.00 0.00 0.00 32.46 27.03 3h4s n ARG 907 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3h4s s GLU 908 N -6.30 2.55 0.22 -0.14 2.02 -0.70 -4.99 118.70 111.37 3h4s s GLU 908 Ca 0.47 1.79 -0.26 0.00 0.02 0.00 0.00 54.97 56.99 3h4s s GLU 908 Cb -0.23 -1.88 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 3h4s s GLU 908 CO 0.78 -1.53 0.85 0.21 0.02 0.00 0.00 175.26 175.60 3h4s s LYS 909 N -3.65 4.62 -0.35 1.61 2.20 -1.26 -4.89 119.74 118.02 3h4s s LYS 909 Ca 0.76 1.25 -0.25 0.00 -0.36 0.00 0.00 55.97 57.37 3h4s s LYS 909 Cb -0.30 -3.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3h4s s LYS 909 CO 0.40 0.48 0.87 -0.65 -0.36 0.00 0.00 175.35 176.09 3h4s s GLN 910 N -1.43 3.86 0.00 4.03 -0.21 -1.26 -2.02 119.66 122.63 3h4s s GLN 910 Ca 0.41 0.55 0.26 0.00 0.02 0.00 0.00 55.36 56.60 3h4s s GLN 910 Cb -0.22 -3.78 0.69 0.00 1.00 0.00 0.00 33.01 30.69 3h4s s GLN 910 CO 0.27 -0.86 1.54 -1.33 -2.12 0.00 0.00 175.29 172.79 3h4s n MET 911 N 6.56 0.18 -4.06 2.91 2.81 -0.18 -4.88 117.12 120.45 3h4s n MET 911 Ca 0.06 -0.09 -0.34 0.00 -1.81 0.00 0.00 57.70 55.51 3h4s n MET 911 Cb 0.48 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 3h4s n MET 911 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h4s s LEU 912 N -2.89 3.75 -0.10 4.03 1.43 -1.26 -4.03 118.68 119.61 3h4s s LEU 912 Ca 0.15 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3h4s s LEU 912 Cb 0.18 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3h4s s LEU 912 CO 0.63 0.18 -0.16 0.28 0.23 0.00 0.00 176.35 177.52 3h4s s THR 913 N 0.30 1.51 -0.58 5.49 -1.32 0.12 -4.95 115.64 116.21 3h4s s THR 913 Ca 0.03 -0.67 -0.21 0.00 -1.21 0.00 0.00 61.69 59.63 3h4s s THR 913 Cb -0.13 -1.36 0.07 0.00 -1.51 0.00 0.00 72.50 69.58 3h4s s THR 913 CO 0.01 0.44 0.80 0.42 -2.21 0.00 0.00 174.62 174.07 3h4s s THR 914 N 0.78 4.62 0.09 5.08 -4.23 -1.26 0.10 115.64 120.82 3h4s s THR 914 Ca -0.11 -0.47 -0.36 0.00 -1.18 0.00 0.00 61.69 59.57 3h4s s THR 914 Cb -0.16 -4.50 -0.16 0.00 1.34 0.00 0.00 72.50 69.02 3h4s s THR 914 CO 0.02 -1.14 1.56 0.58 -0.54 0.00 0.00 174.62 175.10 3h4s h VAL 915 N 5.94 0.01 -2.69 2.29 2.07 -1.34 -3.47 116.25 119.06 3h4s h VAL 915 Ca -0.28 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3h4s h VAL 915 Cb 1.08 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3h4s h VAL 915 CO 1.09 0.00 -0.04 -0.90 0.02 0.00 0.00 177.57 177.73 3h4s n ASP 916 N -5.54 -0.50 0.29 0.57 5.68 -1.22 -4.99 116.55 110.84 3h4s n ASP 916 Ca -0.11 -1.66 0.14 0.00 -0.50 0.00 0.00 54.79 52.66 3h4s n ASP 916 Cb 0.45 0.92 0.74 0.00 -1.14 0.00 0.00 41.12 42.09 3h4s n ASP 916 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3h4s h GLU 917 N 0.00 0.00 0.00 0.11 4.81 -1.90 -1.75 114.58 115.85 3h4s h GLU 917 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3h4s h GLU 917 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3h4s h GLU 917 CO 0.13 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.60 3h4s n PHE 918 N -2.67 0.00 -4.64 0.92 3.01 -1.26 -0.53 117.46 112.28 3h4s n PHE 918 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 3h4s n PHE 918 Cb 0.31 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.62 3h4s n PHE 918 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3h4s s THR 919 N -0.72 2.50 -0.09 4.37 2.01 -0.66 -0.60 115.64 122.46 3h4s s THR 919 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3h4s s THR 919 Cb 0.00 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3h4s s THR 919 CO 0.00 0.53 -0.12 0.54 -0.69 0.00 0.00 174.62 174.87 3h4s s VAL 920 N 0.74 3.19 0.08 3.82 0.11 -0.74 -0.83 120.40 126.76 3h4s s VAL 920 Ca -0.07 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3h4s s VAL 920 Cb -0.16 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 3h4s s VAL 920 CO 0.01 0.56 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.46 3h4s s GLU 921 N -0.26 1.02 -0.05 1.54 2.12 0.29 -1.56 118.70 121.78 3h4s s GLU 921 Ca 0.02 -1.04 -0.26 0.00 0.36 0.00 0.00 54.97 54.05 3h4s s GLU 921 Cb -0.13 -1.16 0.06 0.00 0.26 0.00 0.00 34.13 33.16 3h4s s GLU 921 CO 0.03 0.27 0.58 -3.38 -0.54 0.00 0.00 175.26 172.22 3h4s s HIS 922 N -1.15 -0.54 0.44 5.30 -3.43 -0.85 0.15 115.29 115.21 3h4s s HIS 922 Ca 0.03 0.95 -0.21 0.00 -0.80 0.00 0.00 55.06 55.02 3h4s s HIS 922 Cb -0.10 0.32 -0.10 0.00 -1.43 0.00 0.00 32.58 31.27 3h4s s HIS 922 CO 0.03 -0.54 0.98 -1.25 -2.00 0.00 0.00 174.74 171.96 3h4s s PRO 923 N -1.13 4.12 0.25 -0.38 0.05 -1.26 -1.94 135.00 134.71 3h4s s PRO 923 Ca -0.11 1.23 0.00 0.00 0.05 0.00 0.00 61.00 62.17 3h4s s PRO 923 Cb -0.02 -2.21 0.00 0.00 0.05 0.00 0.00 34.50 32.32 3h4s s PRO 923 CO 0.08 -0.14 0.01 1.87 0.05 0.00 0.00 177.00 178.87 3h4s n TRP 924 N -0.63 0.53 -0.14 0.56 -0.00 -1.26 -4.91 117.44 111.60 3h4s n TRP 924 Ca 0.07 -1.23 -0.04 0.00 -0.00 0.00 0.00 57.50 56.30 3h4s n TRP 924 Cb 0.53 -0.17 0.02 0.00 -0.00 0.00 0.00 31.31 31.70 3h4s n TRP 924 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 3h4s h LYS 925 N 0.00 -0.02 0.00 5.87 2.10 -1.97 -3.43 116.57 119.12 3h4s h LYS 925 Ca -0.21 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.35 3h4s h LYS 925 Cb 0.63 0.01 0.03 0.00 -0.90 0.00 0.00 32.23 31.99 3h4s h LYS 925 CO 0.34 -0.02 0.05 -0.40 -2.00 0.00 0.00 179.45 177.43 3h4s n ASP 926 N -5.34 0.16 -3.02 7.07 5.75 -1.26 -4.99 116.55 114.92 3h4s n ASP 926 Ca 0.03 -1.17 -0.40 0.00 -0.01 0.00 0.00 54.79 53.24 3h4s n ASP 926 Cb 0.25 -0.16 0.04 0.00 -1.03 0.00 0.00 41.12 40.22 3h4s n ASP 926 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3h4s n ASP 927 N -3.07 7.48 -3.64 -1.12 -0.08 -1.26 -4.80 116.55 110.06 3h4s n ASP 927 Ca 0.03 -3.82 -0.29 0.00 -1.51 0.00 0.00 54.79 49.21 3h4s n ASP 927 Cb 0.12 -1.08 -0.12 0.00 2.34 0.00 0.00 41.12 42.38 3h4s n ASP 927 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 3h4s s LYS 928 N -4.11 1.32 -0.44 -0.67 2.47 -1.26 -5.09 119.74 111.95 3h4s s LYS 928 Ca 0.50 -2.18 -0.45 0.00 -1.56 0.00 0.00 55.97 52.28 3h4s s LYS 928 Cb 0.40 -2.19 -0.19 0.00 -1.46 0.00 0.00 37.83 34.39 3h4s s LYS 928 CO -0.38 -1.24 1.68 -2.13 0.16 0.00 0.00 175.35 173.44 3h4s n ARG 929 N 3.18 0.31 -3.12 4.03 0.63 -1.26 -4.62 116.66 115.80 3h4s n ARG 929 Ca 0.16 0.11 -0.39 0.00 -0.92 0.00 0.00 57.85 56.81 3h4s n ARG 929 Cb 0.38 -1.67 -0.05 0.00 0.45 0.00 0.00 32.46 31.57 3h4s n ARG 929 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h4s s LYS 930 N 3.38 4.39 0.00 -0.14 -0.14 -0.82 -4.95 119.74 121.46 3h4s s LYS 930 Ca 1.04 0.82 0.08 0.00 -1.36 0.00 0.00 55.97 56.56 3h4s s LYS 930 Cb -1.38 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 31.36 3h4s s LYS 930 CO 0.76 0.25 -0.25 -0.65 -0.76 0.00 0.00 175.35 174.70 3h4s s GLN 931 N 0.19 1.88 -0.02 1.68 -0.21 -1.26 -2.01 119.66 119.91 3h4s s GLN 931 Ca 0.34 -0.94 0.05 0.00 0.02 0.00 0.00 55.36 54.83 3h4s s GLN 931 Cb -0.18 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 3h4s s GLN 931 CO 0.18 0.51 -0.19 -1.01 -2.12 0.00 0.00 175.29 172.67 3h4s s HIS 932 N -0.65 1.70 -0.12 0.91 3.76 -0.60 -5.02 115.29 115.27 3h4s s HIS 932 Ca 0.10 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3h4s s HIS 932 Cb -0.10 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3h4s s HIS 932 CO 0.00 -0.06 -0.14 0.42 -0.85 0.00 0.00 174.74 174.12 3h4s s ILE 933 N -0.34 1.43 0.38 0.60 1.01 -1.26 -1.79 121.20 121.23 3h4s s ILE 933 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3h4s s ILE 933 Cb -0.08 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 3h4s s ILE 933 CO -0.00 0.43 0.04 -1.22 0.00 0.00 0.00 174.94 174.19 3h4s n TYR 934 N 4.44 0.66 0.38 3.97 4.01 0.23 -4.99 117.16 125.87 3h4s n TYR 934 Ca -0.18 -2.02 0.13 0.00 -0.16 0.00 0.00 57.90 55.68 3h4s n TYR 934 Cb 0.51 -0.18 0.35 0.00 -0.31 0.00 0.00 39.34 39.70 3h4s n TYR 934 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3h4s h ASP 935 N 1.07 0.00 -3.26 7.72 5.19 -1.45 -3.43 116.42 122.26 3h4s h ASP 935 Ca -0.31 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.16 3h4s h ASP 935 Cb 1.00 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.25 3h4s h ASP 935 CO 0.50 0.00 0.44 -0.60 -3.12 0.00 0.00 179.24 176.46 3h4s s ARG 936 N -3.24 0.52 -0.10 3.56 6.06 -1.21 -4.86 118.95 119.69 3h4s s ARG 936 Ca 0.07 0.61 0.02 0.00 -2.50 0.00 0.00 55.73 53.93 3h4s s ARG 936 Cb 0.08 0.25 0.01 0.00 0.06 0.00 0.00 34.95 35.36 3h4s s ARG 936 CO 0.60 -0.07 -0.15 0.08 -2.50 0.00 0.00 175.30 173.26 3h4s s VAL 937 N 0.20 1.47 -0.21 7.11 1.01 0.31 -0.83 120.40 129.45 3h4s s VAL 937 Ca 0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3h4s s VAL 937 Cb -0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3h4s s VAL 937 CO -0.06 0.43 -0.04 -0.36 0.00 0.00 0.00 175.10 175.07 3h4s s PHE 938 N 0.84 2.96 0.85 5.22 0.08 0.19 -4.84 117.98 123.28 3h4s s PHE 938 Ca -0.10 -0.87 -0.12 0.00 0.12 0.00 0.00 56.93 55.96 3h4s s PHE 938 Cb -0.15 -2.09 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 3h4s s PHE 938 CO 0.01 -0.50 1.17 0.16 -0.10 0.00 0.00 175.22 175.96 3h4s s ASP 939 N 1.38 4.07 0.00 1.36 -4.77 -1.26 -0.87 116.67 116.58 3h4s s ASP 939 Ca 0.05 0.84 0.00 0.00 -3.30 0.00 0.00 52.55 50.13 3h4s s ASP 939 Cb -0.14 -1.35 0.00 0.00 -1.09 0.00 0.00 42.92 40.34 3h4s s ASP 939 CO -0.02 -2.19 0.80 1.15 0.70 0.00 0.00 175.17 175.61 3h4s n MET 940 N -3.51 0.00 0.01 2.11 0.00 -1.01 -0.86 117.12 113.86 3h4s n MET 940 Ca 0.08 0.32 0.11 0.00 0.00 0.00 0.00 57.70 58.21 3h4s n MET 940 Cb 0.60 -1.60 0.07 0.00 0.00 0.00 0.00 33.22 32.29 3h4s n MET 940 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3h4s n ARG 941 N -1.30 0.12 -1.83 3.17 1.74 -1.26 -4.38 116.66 112.91 3h4s n ARG 941 Ca 0.00 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3h4s n ARG 941 Cb 0.10 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3h4s n ARG 941 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h4s s ALA 942 N -3.08 3.66 0.46 7.54 0.00 -0.04 -5.00 121.76 125.29 3h4s s ALA 942 Ca 0.07 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 3h4s s ALA 942 Cb 0.16 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 3h4s s ALA 942 CO 0.78 -0.96 0.69 -1.54 0.00 0.00 0.00 175.76 174.73 3h4s s SER 943 N 0.19 5.84 0.32 0.00 1.04 -1.26 -4.96 113.70 114.87 3h4s s SER 943 Ca 0.58 0.34 0.04 0.00 0.48 0.00 0.00 55.95 57.39 3h4s s SER 943 Cb -0.46 -1.58 0.65 0.00 0.10 0.00 0.00 66.02 64.73 3h4s s SER 943 CO 0.53 -0.71 1.89 1.56 0.98 0.00 0.00 173.24 177.49 3h4s h GLN 944 N 0.36 0.86 -0.57 4.02 1.08 -1.95 0.17 115.11 119.09 3h4s h GLN 944 Ca -0.46 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 56.62 3h4s h GLN 944 Cb 1.25 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 3h4s h GLN 944 CO 0.58 0.57 0.09 0.22 -0.95 0.00 0.00 178.83 179.33 3h4s h ASP 945 N 0.89 0.87 -0.47 1.46 3.58 -1.94 -1.48 116.42 119.32 3h4s h ASP 945 Ca 0.42 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 3h4s h ASP 945 Cb 0.44 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 3h4s h ASP 945 CO -0.19 0.88 0.06 0.44 -2.88 0.00 0.00 179.24 177.55 3h4s h ASP 946 N 0.86 0.82 0.44 2.28 3.32 -1.06 -0.39 116.42 122.70 3h4s h ASP 946 Ca 0.18 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3h4s h ASP 946 Cb 0.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3h4s h ASP 946 CO 0.01 0.85 -0.21 0.40 -1.72 0.00 0.00 179.24 178.57 3h4s h ILE 947 N 0.81 0.49 -0.93 0.35 1.08 -0.94 -3.17 117.51 115.20 3h4s h ILE 947 Ca 0.16 -0.44 0.09 0.00 -0.39 0.00 0.00 64.86 64.29 3h4s h ILE 947 Cb 0.41 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 3h4s h ILE 947 CO 0.01 0.07 0.58 0.15 -0.69 0.00 0.00 178.15 178.27 3h4s h PHE 948 N -0.88 1.06 -0.78 1.37 3.57 -1.21 -2.14 116.94 117.93 3h4s h PHE 948 Ca -0.06 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.62 3h4s h PHE 948 Cb 0.57 -0.34 -0.15 0.00 2.79 0.00 0.00 35.95 38.82 3h4s h PHE 948 CO 0.01 0.48 -0.23 1.49 -2.23 0.00 0.00 178.31 177.83 3h4s h GLU 949 N 0.99 -0.02 -0.04 1.11 4.57 -1.05 0.84 114.58 120.97 3h4s h GLU 949 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3h4s h GLU 949 Cb 0.31 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3h4s h GLU 949 CO -0.22 -0.01 0.00 -0.25 -1.18 0.00 0.00 179.01 177.35 3h4s n ASP 950 N -5.51 1.32 -0.00 1.04 8.00 -0.83 -3.91 116.55 116.66 3h4s n ASP 950 Ca 0.10 -1.48 0.01 0.00 0.71 0.00 0.00 54.79 54.13 3h4s n ASP 950 Cb 0.40 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 3h4s n ASP 950 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3h4s n THR 951 N 0.04 0.00 -0.29 -3.53 5.66 -0.29 -4.74 114.28 111.14 3h4s n THR 951 Ca 0.19 -0.21 0.21 0.00 -3.05 0.00 0.00 64.05 61.19 3h4s n THR 951 Cb 0.31 0.69 0.52 0.00 -1.55 0.00 0.00 70.33 70.30 3h4s n THR 951 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 3h4s h LYS 952 N 0.00 0.38 -0.44 1.09 3.64 0.51 -1.18 116.57 120.57 3h4s h LYS 952 Ca 0.00 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3h4s h LYS 952 Cb 0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3h4s h LYS 952 CO 0.00 0.25 0.34 0.10 -2.27 0.00 0.00 179.45 177.87 3h4s h TYR 953 N 0.39 0.00 -0.10 1.91 -0.00 -1.83 -1.36 116.97 115.98 3h4s h TYR 953 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.25 3h4s h TYR 953 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.09 3h4s h TYR 953 CO -0.00 0.00 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.07 3h4s h LEU 954 N 0.00 0.12 -0.21 0.10 3.38 -1.58 -2.47 115.31 114.66 3h4s h LEU 954 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h4s h LEU 954 Cb 0.89 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3h4s h LEU 954 CO -0.00 0.17 0.13 0.58 0.09 0.00 0.00 178.44 179.40 3h4s h VAL 955 N 0.14 1.09 -0.05 1.22 2.07 -1.43 -1.61 116.25 117.67 3h4s h VAL 955 Ca 0.03 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3h4s h VAL 955 Cb 0.13 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3h4s h VAL 955 CO 0.00 0.09 -0.19 -0.61 0.02 0.00 0.00 177.57 176.87 3h4s h GLN 956 N 0.25 0.09 -0.65 1.57 5.75 -1.58 -2.17 115.11 118.38 3h4s h GLN 956 Ca 0.08 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3h4s h GLN 956 Cb 0.03 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3h4s h GLN 956 CO -0.01 0.28 0.11 0.77 -2.65 0.00 0.00 178.83 177.33 3h4s h SER 957 N 0.08 1.00 -0.15 -0.69 0.02 -1.01 -0.47 113.55 112.34 3h4s h SER 957 Ca 0.01 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3h4s h SER 957 Cb 0.40 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3h4s h SER 957 CO 0.03 0.99 -0.14 0.00 -1.14 0.00 0.00 176.83 176.58 3h4s h ALA 958 N 1.12 0.21 0.00 3.77 0.00 -0.71 -1.39 119.26 122.27 3h4s h ALA 958 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3h4s h ALA 958 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h4s h ALA 958 CO 0.01 0.09 -0.12 -0.39 0.00 0.00 0.00 179.25 178.83 3h4s h VAL 959 N -0.02 0.97 0.00 0.00 -1.51 -1.29 0.22 116.25 114.62 3h4s h VAL 959 Ca 0.02 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3h4s h VAL 959 Cb 0.66 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3h4s h VAL 959 CO 0.03 0.12 0.00 0.47 -1.23 0.00 0.00 177.57 176.96 3h4s n ASP 960 N -4.22 0.30 0.00 4.19 10.43 -0.20 -4.78 116.55 122.27 3h4s n ASP 960 Ca -0.03 0.57 0.00 0.00 2.57 0.00 0.00 54.79 57.91 3h4s n ASP 960 Cb 0.20 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.52 3h4s n ASP 960 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h4s n GLY 961 N -0.01 1.20 3.85 0.44 0.00 0.07 -4.52 105.19 106.20 3h4s n GLY 961 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3h4s n GLY 961 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h4s s TYR 962 N -2.00 3.46 -0.25 1.61 2.02 -0.55 -3.89 117.35 117.76 3h4s s TYR 962 Ca 0.00 1.42 -0.17 0.00 -0.37 0.00 0.00 57.07 57.95 3h4s s TYR 962 Cb 0.00 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 3h4s s TYR 962 CO 0.00 -0.53 0.47 -0.80 -1.57 0.00 0.00 175.55 173.12 3h4s s ASN 963 N -3.39 6.39 -0.06 2.29 -0.87 -1.26 -2.33 114.94 115.71 3h4s s ASN 963 Ca 0.58 0.47 0.06 0.00 -1.57 0.00 0.00 52.86 52.40 3h4s s ASN 963 Cb -0.11 -2.26 -0.01 0.00 -0.02 0.00 0.00 41.25 38.86 3h4s s ASN 963 CO 0.39 -0.23 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.76 3h4s s VAL 964 N 2.11 1.96 -0.03 1.60 1.01 0.13 -1.13 120.40 126.06 3h4s s VAL 964 Ca 0.19 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3h4s s VAL 964 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3h4s s VAL 964 CO 0.09 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.68 3h4s s ILE 966 N 0.53 1.77 0.22 0.00 1.01 -0.75 -1.26 121.20 122.71 3h4s s ILE 966 Ca -0.07 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3h4s s ILE 966 Cb -0.11 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3h4s s ILE 966 CO 0.00 0.49 0.14 -0.36 0.00 0.00 0.00 174.94 175.21 3h4s s PHE 967 N 1.28 3.04 -0.16 3.97 0.40 -0.27 -0.52 117.98 125.72 3h4s s PHE 967 Ca 0.02 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3h4s s PHE 967 Cb -0.13 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.04 3h4s s PHE 967 CO -0.09 0.53 -0.04 0.00 0.70 0.00 0.00 175.22 176.32 3h4s s ALA 968 N -2.02 1.41 0.03 5.36 0.00 -0.76 -0.56 121.76 125.22 3h4s s ALA 968 Ca 0.32 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.57 3h4s s ALA 968 Cb -0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 3h4s s ALA 968 CO 0.23 -0.80 -0.24 -0.47 0.00 0.00 0.00 175.76 174.48 3h4s s TYR 969 N 1.67 2.12 0.00 0.00 6.14 0.61 -2.77 117.35 125.12 3h4s s TYR 969 Ca 0.01 -0.40 0.00 0.00 0.64 0.00 0.00 57.07 57.32 3h4s s TYR 969 Cb -0.15 -1.28 0.00 0.00 0.42 0.00 0.00 41.96 40.94 3h4s s TYR 969 CO -0.08 0.08 0.00 0.41 0.64 0.00 0.00 175.55 176.61 3h4s n GLY 970 N 1.95 3.20 3.72 8.97 0.00 -1.26 0.50 105.19 122.27 3h4s n GLY 970 Ca -0.17 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3h4s n GLY 970 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4s s GLN 971 N -2.24 1.79 0.23 1.61 -2.07 -1.26 -2.73 119.66 114.98 3h4s s GLN 971 Ca 0.00 1.44 -0.32 0.00 -1.82 0.00 0.00 55.36 54.66 3h4s s GLN 971 Cb 0.00 -1.82 -0.13 0.00 -1.09 0.00 0.00 33.01 29.97 3h4s s GLN 971 CO 0.00 -2.04 1.52 2.41 -1.32 0.00 0.00 175.29 175.86 3h4s n THR 972 N -3.58 0.64 -0.19 3.63 -1.04 -1.26 -1.37 114.28 111.12 3h4s n THR 972 Ca 0.11 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3h4s n THR 972 Cb 0.52 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3h4s n THR 972 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h4s n GLY 973 N 2.63 1.25 0.25 3.41 0.00 -1.26 -4.92 105.19 106.55 3h4s n GLY 973 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 3h4s n GLY 973 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h4s h SER 974 N 0.00 0.00 0.00 1.61 4.64 -1.55 -3.47 113.55 114.78 3h4s h SER 974 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h4s h SER 974 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h4s h SER 974 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3h4s n GLY 975 N 0.46 1.98 0.32 -0.77 0.00 -1.26 -4.05 105.19 101.87 3h4s n GLY 975 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3h4s n GLY 975 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h4s h LYS 976 N 0.00 -0.74 -0.37 1.61 1.57 -1.91 -2.30 116.57 114.44 3h4s h LYS 976 Ca 0.00 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3h4s h LYS 976 Cb 0.00 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3h4s h LYS 976 CO 0.00 -0.48 0.05 1.15 -0.57 0.00 0.00 179.45 179.61 3h4s h THR 977 N -0.81 1.19 0.00 -0.16 2.02 -1.96 -1.65 112.91 111.53 3h4s h THR 977 Ca -0.08 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 3h4s h THR 977 Cb 0.61 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3h4s h THR 977 CO 0.13 0.25 -0.30 0.15 0.37 0.00 0.00 175.52 176.12 3h4s h PHE 978 N 0.53 0.00 0.20 3.16 3.04 -1.87 0.20 116.94 122.21 3h4s h PHE 978 Ca 0.12 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.75 3h4s h PHE 978 Cb 0.26 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.80 3h4s h PHE 978 CO 0.01 0.30 -1.49 1.15 -2.02 0.00 0.00 178.31 176.26 3h4s h THR 979 N 0.00 1.15 0.01 4.41 2.02 -0.77 -3.00 112.91 116.74 3h4s h THR 979 Ca -0.00 -2.57 -0.00 0.00 0.77 0.00 0.00 66.41 64.60 3h4s h THR 979 Cb 0.58 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 3h4s h THR 979 CO 0.04 0.80 -0.01 0.40 0.37 0.00 0.00 175.52 177.13 3h4s h ILE 980 N 0.01 1.47 0.00 3.11 2.04 -1.23 -1.18 117.51 121.73 3h4s h ILE 980 Ca -0.28 -1.98 -0.30 0.00 1.00 0.00 0.00 64.86 63.30 3h4s h ILE 980 Cb 2.03 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 40.77 3h4s h ILE 980 CO 0.20 0.48 -2.08 -1.22 0.00 0.00 0.00 178.15 175.53 3h4s n TYR 981 N -4.68 0.00 -4.71 1.37 4.02 -0.26 0.16 117.16 113.06 3h4s n TYR 981 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3h4s n TYR 981 Cb 0.38 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 3h4s n TYR 981 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h4s n GLY 982 N 2.27 0.73 3.57 2.72 0.00 0.55 -1.62 105.19 113.41 3h4s n GLY 982 Ca -0.35 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 3h4s n GLY 982 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h4s s HIS 983 N 0.00 0.59 0.21 1.61 -3.43 -0.96 -4.80 115.29 108.51 3h4s s HIS 983 Ca 0.00 -0.94 -0.13 0.00 -0.80 0.00 0.00 55.06 53.19 3h4s s HIS 983 Cb 0.00 0.14 0.26 0.00 -1.43 0.00 0.00 32.58 31.55 3h4s s HIS 983 CO 0.00 -1.09 1.33 0.39 -2.00 0.00 0.00 174.74 173.37 3h4s n GLU 984 N -0.45 -0.17 0.00 -0.38 1.02 -1.26 -0.44 120.64 118.96 3h4s n GLU 984 Ca -0.01 1.32 0.14 0.00 -0.02 0.00 0.00 57.16 58.59 3h4s n GLU 984 Cb 0.62 -1.96 0.53 0.00 -0.02 0.00 0.00 31.44 30.60 3h4s n GLU 984 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3h4s n SER 985 N -5.30 0.44 -3.03 1.62 3.41 -1.26 -4.44 113.62 105.07 3h4s n SER 985 Ca 0.10 -0.36 -0.17 0.00 -0.26 0.00 0.00 58.87 58.17 3h4s n SER 985 Cb 0.37 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3h4s n SER 985 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h4s n ASN 986 N -1.12 -1.20 -4.65 4.04 2.85 0.42 -5.14 115.26 110.46 3h4s n ASN 986 Ca 0.11 -2.88 -0.46 0.00 -0.11 0.00 0.00 54.58 51.25 3h4s n ASN 986 Cb 0.30 0.38 -0.03 0.00 1.24 0.00 0.00 39.78 41.67 3h4s n ASN 986 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3h4s n PRO 987 N 1.76 1.82 0.00 1.20 -0.02 -0.66 -2.27 135.00 136.84 3h4s n PRO 987 Ca 0.18 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3h4s n PRO 987 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3h4s n PRO 987 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h4s n GLY 988 N 2.04 1.30 0.22 -1.23 0.00 -0.64 -4.80 105.19 102.07 3h4s n GLY 988 Ca 0.12 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 3h4s n GLY 988 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h4s h LEU 989 N 0.00 0.67 0.33 0.99 3.38 -0.28 -3.17 115.31 117.23 3h4s h LEU 989 Ca 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3h4s h LEU 989 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3h4s h LEU 989 CO 0.00 0.76 -0.16 0.74 0.09 0.00 0.00 178.44 179.88 3h4s h THR 990 N 0.54 0.69 -0.47 0.22 2.02 -0.56 0.19 112.91 115.55 3h4s h THR 990 Ca 0.13 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3h4s h THR 990 Cb 0.39 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3h4s h THR 990 CO 0.01 0.04 0.31 1.55 0.37 0.00 0.00 175.52 177.80 3h4s h PRO 991 N -0.54 0.60 -0.06 6.66 0.13 -1.80 -0.56 132.00 136.42 3h4s h PRO 991 Ca -0.05 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.85 3h4s h PRO 991 Cb 0.40 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 3h4s h PRO 991 CO 0.07 0.40 -0.78 0.00 -0.23 0.00 0.00 178.00 177.46 3h4s h ARG 992 N 0.62 0.42 -0.51 0.86 3.08 -1.48 -3.03 114.38 114.34 3h4s h ARG 992 Ca 0.18 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 3h4s h ARG 992 Cb -0.05 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3h4s h ARG 992 CO -0.04 1.02 -0.03 0.00 -1.07 0.00 0.00 179.97 179.85 3h4s h ALA 993 N 0.87 0.99 -0.80 0.04 0.00 0.21 -1.37 119.26 119.21 3h4s h ALA 993 Ca -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3h4s h ALA 993 Cb 1.38 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3h4s h ALA 993 CO 0.14 0.61 0.31 1.79 0.00 0.00 0.00 179.25 182.10 3h4s h THR 994 N 0.80 1.26 -0.06 0.00 1.35 -1.09 0.13 112.91 115.31 3h4s h THR 994 Ca 0.15 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 3h4s h THR 994 Cb 0.52 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3h4s h THR 994 CO 0.03 0.34 -0.01 0.11 -0.25 0.00 0.00 175.52 175.74 3h4s h LYS 995 N 1.17 0.12 -0.79 4.72 1.57 -1.35 -2.46 116.57 119.55 3h4s h LYS 995 Ca 0.27 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.14 3h4s h LYS 995 Cb 0.23 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 3h4s h LYS 995 CO -0.02 0.43 0.37 1.49 -0.57 0.00 0.00 179.45 181.15 3h4s h GLU 996 N -0.21 0.53 0.15 3.15 4.57 -0.90 -0.29 114.58 121.59 3h4s h GLU 996 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3h4s h GLU 996 Cb 0.39 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3h4s h GLU 996 CO 0.01 0.35 -0.14 1.25 -1.18 0.00 0.00 179.01 179.29 3h4s h LEU 997 N 0.54 -0.37 -1.64 1.64 5.85 -0.58 -1.45 115.31 119.31 3h4s h LEU 997 Ca 0.43 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 3h4s h LEU 997 Cb 0.61 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3h4s h LEU 997 CO -0.37 -0.22 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.18 3h4s h PHE 998 N -0.32 0.00 -0.02 1.25 0.04 -0.95 -1.03 116.94 115.91 3h4s h PHE 998 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 3h4s h PHE 998 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3h4s h PHE 998 CO -0.12 0.08 -0.76 -0.91 -0.60 0.00 0.00 178.31 176.00 3h4s h ASN 999 N 0.00 0.17 -0.01 2.17 2.35 -0.54 -2.19 115.58 117.53 3h4s h ASN 999 Ca -0.00 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 3h4s h ASN 999 Cb 0.48 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.80 3h4s h ASN 999 CO 0.01 0.86 -0.35 0.40 -1.65 0.00 0.00 177.43 176.70 3h4s h ILE 1000N 0.09 1.49 -0.86 2.81 2.04 -0.42 -1.89 117.51 120.77 3h4s h ILE 1000Ca -0.02 -1.93 0.05 0.00 1.00 0.00 0.00 64.86 63.96 3h4s h ILE 1000Cb 1.33 2.63 -0.05 0.00 -0.74 0.00 0.00 36.82 39.99 3h4s h ILE 1000CO 0.11 0.54 0.56 -0.07 0.00 0.00 0.00 178.15 179.29 3h4s h LEU 1001N -0.33 0.87 -0.17 1.44 3.38 -1.23 -1.31 115.31 117.95 3h4s h LEU 1001Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3h4s h LEU 1001Cb 1.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3h4s h LEU 1001CO 0.07 0.57 -0.24 0.50 0.09 0.00 0.00 178.44 179.43 3h4s h LYS 1002N 1.00 0.47 -0.74 1.13 3.64 -1.43 -0.50 116.57 120.14 3h4s h LYS 1002Ca 0.36 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h4s h LYS 1002Cb 0.15 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3h4s h LYS 1002CO -0.12 0.86 0.47 -0.09 -2.27 0.00 0.00 179.45 178.30 3h4s h ARG 1003N 0.11 0.91 -0.47 1.90 2.43 -0.70 -3.02 114.38 115.55 3h4s h ARG 1003Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h4s h ARG 1003Cb 0.81 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3h4s h ARG 1003CO 0.06 0.60 0.00 -0.25 -1.51 0.00 0.00 179.97 178.87 3h4s n ASP 1004N -4.62 5.00 0.31 -3.80 8.00 -0.55 -4.61 116.55 116.27 3h4s n ASP 1004Ca 0.08 -2.92 0.20 0.00 0.71 0.00 0.00 54.79 52.87 3h4s n ASP 1004Cb 0.07 -0.62 1.05 0.00 -0.02 0.00 0.00 41.12 41.59 3h4s n ASP 1004CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3h4s h SER 1005N 3.22 0.00 0.30 -2.24 4.64 -0.94 -1.27 113.55 117.26 3h4s h SER 1005Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h4s h SER 1005Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3h4s h SER 1005CO 0.37 0.00 -0.15 0.29 -0.87 0.00 0.00 176.83 176.47 3h4s n LYS 1006N -2.98 0.78 -0.00 4.77 5.02 -1.26 -4.00 118.16 120.48 3h4s n LYS 1006Ca -0.02 -0.34 0.01 0.00 -2.02 0.00 0.00 58.31 55.93 3h4s n LYS 1006Cb 0.11 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 3h4s n LYS 1006CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h4s n ARG 1007N -0.81 1.46 -4.01 1.97 1.74 -0.53 -4.93 116.66 111.54 3h4s n ARG 1007Ca 0.14 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.10 3h4s n ARG 1007Cb 0.30 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 30.69 3h4s n ARG 1007CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3h4s s PHE 1008N -1.90 0.43 -0.17 -1.55 0.40 -0.87 0.22 117.98 114.54 3h4s s PHE 1008Ca -0.00 -0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 55.76 3h4s s PHE 1008Cb 0.01 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 3h4s s PHE 1008CO 0.06 -0.14 0.08 -1.54 0.70 0.00 0.00 175.22 174.38 3h4s s SER 1009N -1.44 5.77 0.07 1.36 1.04 -0.93 -4.59 113.70 114.98 3h4s s SER 1009Ca -0.13 0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.50 3h4s s SER 1009Cb -0.10 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 3h4s s SER 1009CO -0.00 0.21 -0.07 -0.36 0.98 0.00 0.00 173.24 174.00 3h4s s PHE 1010N 0.15 2.83 -0.05 5.02 0.08 -1.26 -1.95 117.98 122.81 3h4s s PHE 1010Ca 0.06 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3h4s s PHE 1010Cb -0.12 -1.51 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3h4s s PHE 1010CO 0.00 0.42 0.02 0.45 -0.10 0.00 0.00 175.22 176.02 3h4s s SER 1011N -2.00 1.16 0.25 1.36 0.15 0.29 -5.00 113.70 109.91 3h4s s SER 1011Ca 0.21 -0.01 0.12 0.00 0.70 0.00 0.00 55.95 56.97 3h4s s SER 1011Cb -0.11 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 3h4s s SER 1011CO 0.13 -0.19 -0.21 -0.76 1.20 0.00 0.00 173.24 173.40 3h4s s LEU 1012N 1.84 2.54 -0.12 3.45 1.02 -1.26 -0.80 118.68 125.36 3h4s s LEU 1012Ca 0.02 -0.97 -0.30 0.00 0.02 0.00 0.00 54.13 52.89 3h4s s LEU 1012Cb -0.12 -1.13 0.12 0.00 0.02 0.00 0.00 46.19 45.08 3h4s s LEU 1012CO -0.04 0.07 0.95 -1.59 0.02 0.00 0.00 176.35 175.76 3h4s s LYS 1013N -3.24 0.67 0.15 1.70 -2.85 -1.14 -1.39 119.74 113.65 3h4s s LYS 1013Ca 0.27 0.07 -0.06 0.00 -1.00 0.00 0.00 55.97 55.25 3h4s s LYS 1013Cb -0.06 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 3h4s s LYS 1013CO 0.13 -0.23 0.20 0.00 0.10 0.00 0.00 175.35 175.56 3h4s s ALA 1014N -1.49 0.32 -0.11 0.59 0.00 0.14 -0.92 121.76 120.29 3h4s s ALA 1014Ca -0.01 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3h4s s ALA 1014Cb -0.01 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3h4s s ALA 1014CO 0.00 -0.59 0.34 1.52 0.00 0.00 0.00 175.76 177.03 3h4s s TYR 1015N -4.00 -0.35 -0.08 0.00 -0.85 -1.00 0.64 117.35 111.73 3h4s s TYR 1015Ca 0.20 0.81 0.03 0.00 -0.52 0.00 0.00 57.07 57.59 3h4s s TYR 1015Cb 0.05 0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.52 3h4s s TYR 1015CO 0.01 -0.22 -0.17 1.41 -1.52 0.00 0.00 175.55 175.06 3h4s s MET 1016N -0.07 2.25 0.04 -3.49 1.75 -1.26 -1.97 119.30 116.55 3h4s s MET 1016Ca -0.02 -0.61 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3h4s s MET 1016Cb -0.03 -1.78 -0.02 0.00 2.84 0.00 0.00 34.83 35.84 3h4s s MET 1016CO 0.01 0.10 -0.08 0.08 -0.65 0.00 0.00 175.02 174.49 3h4s s VAL 1017N 0.50 0.52 -0.18 10.11 1.01 0.17 -1.90 120.40 130.63 3h4s s VAL 1017Ca -0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 3h4s s VAL 1017Cb -0.16 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3h4s s VAL 1017CO 0.06 -0.36 -0.14 -0.70 0.00 0.00 0.00 175.10 173.95 3h4s s GLU 1018N -1.50 3.17 -0.39 2.72 2.12 -0.90 -0.03 118.70 123.89 3h4s s GLU 1018Ca -0.10 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.35 3h4s s GLU 1018Cb -0.10 -2.70 0.02 0.00 0.26 0.00 0.00 34.13 31.62 3h4s s GLU 1018CO 0.00 -0.12 0.25 -1.17 -0.54 0.00 0.00 175.26 173.68 3h4s s LEU 1019N 1.15 4.86 -0.31 2.70 2.96 0.63 -1.96 118.68 128.71 3h4s s LEU 1019Ca 0.01 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 53.00 3h4s s LEU 1019Cb -0.14 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.48 3h4s s LEU 1019CO -0.06 -0.39 0.05 -0.47 -1.32 0.00 0.00 176.35 174.16 3h4s s TYR 1020N 1.63 3.20 0.00 5.38 5.04 -0.42 -1.50 117.35 130.68 3h4s s TYR 1020Ca 0.04 -1.45 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 3h4s s TYR 1020Cb -0.19 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 39.93 3h4s s TYR 1020CO 0.09 -0.71 0.00 1.04 -1.34 0.00 0.00 175.55 174.62 3h4s n GLN 1021N 4.76 0.00 -0.75 4.97 6.02 -1.26 -0.96 117.38 130.15 3h4s n GLN 1021Ca -0.14 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.90 3h4s n GLN 1021Cb 0.45 0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.03 3h4s n GLN 1021CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3h4s n ASP 1022N 5.41 4.70 -4.37 1.08 8.00 -1.26 -4.93 116.55 125.18 3h4s n ASP 1022Ca 0.00 -3.08 -0.34 0.00 0.71 0.00 0.00 54.79 52.08 3h4s n ASP 1022Cb 0.00 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 3h4s n ASP 1022CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h4s s THR 1023N -2.87 3.32 -0.20 -3.53 2.01 -0.14 -5.04 115.64 109.19 3h4s s THR 1023Ca 0.50 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 3h4s s THR 1023Cb 0.39 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3h4s s THR 1023CO 0.12 0.48 0.22 -0.76 -0.69 0.00 0.00 174.62 173.99 3h4s s LEU 1024N 0.80 4.18 -0.13 4.42 1.43 -1.26 -1.30 118.68 126.81 3h4s s LEU 1024Ca -0.03 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3h4s s LEU 1024Cb -0.15 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3h4s s LEU 1024CO 0.01 0.08 -0.20 0.68 0.23 0.00 0.00 176.35 177.16 3h4s s VAL 1025N 0.77 1.85 -0.09 -1.59 -7.23 -0.83 -4.82 120.40 108.45 3h4s s VAL 1025Ca 0.12 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 3h4s s VAL 1025Cb -0.13 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3h4s s VAL 1025CO 0.03 0.51 1.28 -0.62 -0.31 0.00 0.00 175.10 175.99 3h4s s ASP 1026N 0.85 6.96 0.00 4.85 3.68 -1.26 -2.13 116.67 129.62 3h4s s ASP 1026Ca -0.07 1.83 0.25 0.00 2.13 0.00 0.00 52.55 56.69 3h4s s ASP 1026Cb -0.15 -2.55 0.40 0.00 -1.45 0.00 0.00 42.92 39.17 3h4s s ASP 1026CO -0.01 -0.69 1.36 0.18 0.13 0.00 0.00 175.17 176.14 3h4s n LEU 1027N 5.88 2.16 -0.60 -1.34 4.77 -0.80 -3.80 117.00 123.28 3h4s n LEU 1027Ca 0.13 -0.73 0.06 0.00 -0.03 0.00 0.00 56.01 55.44 3h4s n LEU 1027Cb 0.45 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 3h4s n LEU 1027CO 0.56 0.37 0.54 0.18 -1.33 0.00 0.00 177.39 177.72 3h4s n LEU 1028N 0.48 2.51 -4.72 2.23 4.77 -1.26 -4.98 117.00 116.02 3h4s n LEU 1028Ca 0.14 -1.48 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 3h4s n LEU 1028Cb 0.48 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3h4s n LEU 1028CO 0.20 0.56 1.27 -0.22 -1.33 0.00 0.00 177.39 177.88 3h4s s LEU 1029N -1.01 4.37 -0.09 2.23 2.96 -1.25 -4.90 118.68 120.99 3h4s s LEU 1029Ca 0.20 2.75 -0.29 0.00 -0.22 0.00 0.00 54.13 56.56 3h4s s LEU 1029Cb 0.12 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 3h4s s LEU 1029CO 0.16 -0.88 1.80 -2.84 -1.32 0.00 0.00 176.35 173.28 3h4s s PRO 1030N 0.88 3.93 0.00 0.98 0.02 -1.26 -5.13 135.00 134.42 3h4s s PRO 1030Ca 0.70 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3h4s s PRO 1030Cb -0.46 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 29.96 3h4s s PRO 1030CO 0.34 -1.16 0.03 1.17 -0.33 0.00 0.00 177.00 177.05 3h4s n LYS 1031N 7.59 0.00 0.00 5.54 3.00 -1.26 -5.21 118.16 127.82 3h4s n LYS 1031Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 3h4s n LYS 1031Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 35.03 35.24 3h4s n LYS 1031CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3h4s n ARG 1035N 0.63 0.00 -2.73 1.64 0.63 -1.26 -5.32 116.66 110.26 3h4s n ARG 1035Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 3h4s n ARG 1035Cb 0.02 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.96 3h4s n ARG 1035CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3h4s s LEU 1036N 0.00 3.36 0.16 6.15 1.43 -1.26 -5.04 118.68 123.48 3h4s s LEU 1036Ca 0.00 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.70 3h4s s LEU 1036Cb 0.00 -2.83 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 3h4s s LEU 1036CO 0.00 -1.05 1.80 -1.59 0.23 0.00 0.00 176.35 175.74 3h4s s LYS 1037N -4.67 4.13 -0.12 1.70 -2.85 -1.26 -4.99 119.74 111.68 3h4s s LYS 1037Ca 0.57 2.61 -0.14 0.00 -1.00 0.00 0.00 55.97 58.01 3h4s s LYS 1037Cb -0.10 -3.40 -0.05 0.00 -2.06 0.00 0.00 37.83 32.22 3h4s s LYS 1037CO 0.37 -0.82 0.32 -0.51 0.10 0.00 0.00 175.35 174.82 3h4s s LEU 1038N 2.18 4.30 -0.09 2.77 1.43 -1.26 -4.65 118.68 123.35 3h4s s LEU 1038Ca 0.79 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 3h4s s LEU 1038Cb -0.48 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.34 3h4s s LEU 1038CO 0.35 0.15 -0.07 -1.61 0.23 0.00 0.00 176.35 175.40 3h4s s GLU 1039N 0.08 1.35 -0.17 1.70 2.02 -1.10 -4.92 118.70 117.66 3h4s s GLU 1039Ca 0.19 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 3h4s s GLU 1039Cb -0.14 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 3h4s s GLU 1039CO 0.06 -0.19 1.21 0.42 0.02 0.00 0.00 175.26 176.79 3h4s s ILE 1040N 1.42 4.36 0.32 -1.63 1.01 -1.26 0.56 121.20 125.99 3h4s s ILE 1040Ca -0.01 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.35 3h4s s ILE 1040Cb -0.13 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3h4s s ILE 1040CO -0.04 -0.13 0.30 0.29 0.00 0.00 0.00 174.94 175.35 3h4s n LYS 1041N 6.41 0.43 -4.15 2.79 5.02 0.35 -4.96 118.16 124.04 3h4s n LYS 1041Ca 0.13 -3.15 -0.15 0.00 -2.02 0.00 0.00 58.31 53.12 3h4s n LYS 1041Cb 0.45 2.63 -0.11 0.00 -0.02 0.00 0.00 35.03 37.98 3h4s n LYS 1041CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3h4s s LYS 1042N -3.24 0.78 0.47 1.97 2.20 -1.26 0.16 119.74 120.81 3h4s s LYS 1042Ca 0.37 -1.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.02 3h4s s LYS 1042Cb 0.02 -0.57 0.07 0.00 -1.51 0.00 0.00 37.83 35.84 3h4s s LYS 1042CO 0.26 0.10 0.59 -0.40 -0.36 0.00 0.00 175.35 175.54 3h4s n ASP 1043N 0.92 1.88 0.32 1.43 3.85 -0.40 -4.89 116.55 119.66 3h4s n ASP 1043Ca -0.19 -2.32 0.17 0.00 -0.71 0.00 0.00 54.79 51.75 3h4s n ASP 1043Cb 0.56 -0.28 0.93 0.00 -1.35 0.00 0.00 41.12 40.98 3h4s n ASP 1043CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3h4s h SER 1044N 0.18 0.00 0.15 -1.12 4.64 -2.02 -0.57 113.55 114.81 3h4s h SER 1044Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3h4s h SER 1044Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3h4s h SER 1044CO 0.34 0.00 -1.49 1.17 -0.87 0.00 0.00 176.83 175.99 3h4s n LYS 1045N -2.88 0.42 0.00 4.77 3.00 -1.26 -4.98 118.16 117.23 3h4s n LYS 1045Ca -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 3h4s n LYS 1045Cb 0.25 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.73 3h4s n LYS 1045CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h4s n GLY 1046N 1.34 1.59 3.74 3.14 0.00 -0.22 -5.09 105.19 109.69 3h4s n GLY 1046Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h4s n GLY 1046CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h4s s MET 1047N -0.34 4.52 0.24 1.61 0.00 -1.26 -4.66 119.30 119.42 3h4s s MET 1047Ca 0.00 1.83 -0.30 0.00 0.00 0.00 0.00 55.69 57.23 3h4s s MET 1047Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 34.83 31.50 3h4s s MET 1047CO 0.00 -0.03 1.04 0.08 0.00 0.00 0.00 175.02 176.11 3h4s s VAL 1048N -0.18 3.79 -0.03 10.11 1.01 -1.26 -1.27 120.40 132.58 3h4s s VAL 1048Ca 0.51 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.25 3h4s s VAL 1048Cb -0.32 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 31.97 3h4s s VAL 1048CO 0.37 0.40 -0.01 -0.36 0.00 0.00 0.00 175.10 175.49 3h4s s PHE 1049N -0.99 0.37 -0.42 5.22 0.40 0.41 -4.93 117.98 118.04 3h4s s PHE 1049Ca 0.44 -0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.52 3h4s s PHE 1049Cb -0.29 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 42.83 3h4s s PHE 1049CO 0.36 -0.13 0.73 0.08 0.70 0.00 0.00 175.22 176.97 3h4s s VAL 1050N 0.93 4.74 0.19 -0.44 1.01 -1.26 -0.50 120.40 125.07 3h4s s VAL 1050Ca -0.10 0.45 -0.32 0.00 0.00 0.00 0.00 61.98 62.01 3h4s s VAL 1050Cb -0.13 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 3h4s s VAL 1050CO -0.01 -0.59 1.71 1.21 0.00 0.00 0.00 175.10 177.42 3h4s n GLU 1051N 6.48 2.67 -1.00 2.72 2.13 0.19 -2.15 120.64 131.68 3h4s n GLU 1051Ca 0.01 0.96 -0.00 0.00 0.66 0.00 0.00 57.16 58.79 3h4s n GLU 1051Cb 0.48 -2.80 -0.00 0.00 0.27 0.00 0.00 31.44 29.39 3h4s n GLU 1051CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3h4s n ASN 1052N 4.02 -4.24 -4.77 4.31 5.03 -1.26 -2.69 115.26 115.66 3h4s n ASN 1052Ca 0.16 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.22 3h4s n ASN 1052Cb 0.34 -1.75 -0.06 0.00 -1.02 0.00 0.00 39.78 37.29 3h4s n ASN 1052CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3h4s s VAL 1053N -1.60 4.30 -0.24 2.41 0.11 -0.91 -4.85 120.40 119.61 3h4s s VAL 1053Ca 0.00 1.79 -0.28 0.00 -2.93 0.00 0.00 61.98 60.55 3h4s s VAL 1053Cb 0.00 -4.17 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 3h4s s VAL 1053CO 0.00 0.49 2.04 -0.89 -3.33 0.00 0.00 175.10 173.41 3h4s s THR 1054N -1.19 3.19 -0.21 5.04 2.01 -1.26 -4.93 115.64 118.29 3h4s s THR 1054Ca 0.38 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 3h4s s THR 1054Cb -0.23 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3h4s s THR 1054CO 0.27 -0.15 0.11 0.42 -0.69 0.00 0.00 174.62 174.58 3h4s s THR 1055N 7.54 5.07 -0.21 -0.82 -4.23 -1.26 -4.51 115.64 117.22 3h4s s THR 1055Ca 0.92 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3h4s s THR 1055Cb -0.30 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3h4s s THR 1055CO 0.35 0.42 -0.10 -0.63 -0.54 0.00 0.00 174.62 174.11 3h4s s ILE 1056N 0.63 2.86 0.24 2.99 1.01 0.21 -4.87 121.20 124.27 3h4s s ILE 1056Ca 0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3h4s s ILE 1056Cb -0.12 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 3h4s s ILE 1056CO 0.01 0.46 1.18 -2.16 0.00 0.00 0.00 174.94 174.43 3h4s s PRO 1057N 1.40 4.53 -0.05 2.79 0.04 -1.26 0.27 135.00 142.71 3h4s s PRO 1057Ca 0.05 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.04 3h4s s PRO 1057Cb -0.14 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 3h4s s PRO 1057CO -0.07 0.01 -0.16 0.42 0.04 0.00 0.00 177.00 177.24 3h4s s ILE 1058N -0.65 2.92 0.00 0.56 -1.09 -0.49 -4.89 121.20 117.56 3h4s s ILE 1058Ca 0.49 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3h4s s ILE 1058Cb -0.34 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 3h4s s ILE 1058CO 0.41 0.59 0.00 -1.54 -1.23 0.00 0.00 174.94 173.16 3h4s n SER 1059N 2.39 0.33 -3.89 3.58 3.41 -1.26 -4.03 113.62 114.15 3h4s n SER 1059Ca -0.17 -0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 3h4s n SER 1059Cb 0.52 0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 64.76 3h4s n SER 1059CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h4s s THR 1060N -0.46 0.07 0.46 6.66 -1.32 -1.26 -5.03 115.64 114.77 3h4s s THR 1060Ca 0.00 -0.62 0.22 0.00 -1.21 0.00 0.00 61.69 60.08 3h4s s THR 1060Cb 0.00 -0.35 0.41 0.00 -1.51 0.00 0.00 72.50 71.06 3h4s s THR 1060CO 0.00 -0.34 1.87 0.25 -2.21 0.00 0.00 174.62 174.19 3h4s h LEU 1061N 4.66 0.26 -0.45 9.08 5.85 -1.98 -1.42 115.31 131.31 3h4s h LEU 1061Ca -0.30 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3h4s h LEU 1061Cb 1.20 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3h4s h LEU 1061CO 0.41 0.10 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.12 3h4s h GLU 1062N 0.26 0.90 -0.69 1.25 4.39 -1.97 0.21 114.58 118.93 3h4s h GLU 1062Ca 0.45 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3h4s h GLU 1062Cb 1.34 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.91 3h4s h GLU 1062CO -0.12 1.02 0.43 0.93 -1.16 0.00 0.00 179.01 180.12 3h4s h GLU 1063N 0.74 0.83 -0.34 2.33 5.08 -1.68 0.22 114.58 121.76 3h4s h GLU 1063Ca 0.11 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 3h4s h GLU 1063Cb 0.72 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3h4s h GLU 1063CO 0.05 0.55 -0.43 1.25 -1.00 0.00 0.00 179.01 179.43 3h4s h LEU 1064N 0.85 0.93 -0.73 1.33 6.46 -1.32 -2.57 115.31 120.27 3h4s h LEU 1064Ca 0.27 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3h4s h LEU 1064Cb 0.01 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 3h4s h LEU 1064CO -0.10 1.23 0.48 -0.09 -0.62 0.00 0.00 178.44 179.33 3h4s h ARG 1065N 0.70 0.96 -0.58 1.25 2.43 0.27 0.18 114.38 119.58 3h4s h ARG 1065Ca 0.05 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3h4s h ARG 1065Cb 1.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3h4s h ARG 1065CO 0.10 0.63 -0.04 0.52 -1.51 0.00 0.00 179.97 179.67 3h4s h MET 1066N 0.98 1.06 0.00 0.20 2.86 -0.53 -0.81 114.93 118.69 3h4s h MET 1066Ca 0.27 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3h4s h MET 1066Cb -0.11 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 3h4s h MET 1066CO -0.06 1.06 -0.08 0.82 1.06 0.00 0.00 176.91 179.71 3h4s h ILE 1067N 0.95 0.43 0.12 -1.22 2.04 -1.02 -2.01 117.51 116.81 3h4s h ILE 1067Ca 0.16 -0.43 -0.27 0.00 1.00 0.00 0.00 64.86 65.32 3h4s h ILE 1067Cb 0.61 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3h4s h ILE 1067CO 0.04 0.08 -1.23 0.25 0.00 0.00 0.00 178.15 177.29 3h4s h LEU 1068N 0.00 0.47 -1.04 1.44 5.85 0.18 -3.21 115.31 119.00 3h4s h LEU 1068Ca -0.00 -0.49 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 3h4s h LEU 1068Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3h4s h LEU 1068CO 0.01 1.37 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.99 3h4s h GLU 1069N 0.10 0.00 -0.57 1.25 4.81 -0.48 -1.21 114.58 118.48 3h4s h GLU 1069Ca -0.14 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3h4s h GLU 1069Cb 1.94 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 31.25 3h4s h GLU 1069CO 0.21 0.41 0.20 -0.09 -0.73 0.00 0.00 179.01 179.00 3h4s h ARG 1070N 0.00 0.36 0.01 1.92 9.65 -1.45 -2.56 114.38 122.31 3h4s h ARG 1070Ca -0.00 -0.02 -0.36 0.00 -1.10 0.00 0.00 59.98 58.49 3h4s h ARG 1070Cb 0.85 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.28 3h4s h ARG 1070CO 0.05 0.24 -2.28 0.41 2.80 0.00 0.00 179.97 181.19 3h4s n GLY 1071N -1.29 -0.80 0.36 2.80 0.00 -1.19 -4.34 105.19 100.74 3h4s n GLY 1071Ca 0.08 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3h4s n GLY 1071CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3h4s h SER 1072N 0.01 0.82 -0.39 1.61 0.87 -1.21 -0.41 113.55 114.85 3h4s h SER 1072Ca -0.51 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 59.97 3h4s h SER 1072Cb 2.11 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 63.86 3h4s h SER 1072CO 0.01 0.49 0.12 -1.84 -0.53 0.00 0.00 176.83 175.08 3h4s n GLU 1073N -4.53 2.65 -4.71 2.24 -0.00 -0.97 -4.99 120.64 110.33 3h4s n GLU 1073Ca 0.15 -1.70 -0.25 0.00 -0.00 0.00 0.00 57.16 55.36 3h4s n GLU 1073Cb 0.29 -1.83 -0.14 0.00 -0.00 0.00 0.00 31.44 29.76 3h4s n GLU 1073CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3h4s s ARG 1074N -1.91 1.40 0.08 3.44 1.70 -0.17 -5.07 118.95 118.42 3h4s s ARG 1074Ca 0.30 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 3h4s s ARG 1074Cb 0.24 -1.44 0.00 0.00 -0.57 0.00 0.00 34.95 33.18 3h4s s ARG 1074CO 0.08 0.38 0.00 -1.91 -1.08 0.00 0.00 175.30 172.77 3h4s n GLU 1084N 2.12 -1.05 -0.17 3.89 2.13 -1.26 -4.69 120.64 121.60 3h4s n GLU 1084Ca -0.16 0.76 -0.05 0.00 0.66 0.00 0.00 57.16 58.37 3h4s n GLU 1084Cb 0.53 -0.84 0.01 0.00 0.27 0.00 0.00 31.44 31.41 3h4s n GLU 1084CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h4s h GLU 1085N 0.59 -0.15 -0.89 5.31 5.08 -2.03 -2.42 114.58 120.07 3h4s h GLU 1085Ca 0.00 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 3h4s h GLU 1085Cb 0.00 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 3h4s h GLU 1085CO 0.00 -0.10 0.45 0.66 -1.00 0.00 0.00 179.01 179.02 3h4s h SER 1086N -0.16 0.48 0.64 1.42 4.64 -1.93 0.33 113.55 118.97 3h4s h SER 1086Ca 0.23 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3h4s h SER 1086Cb 0.52 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3h4s h SER 1086CO -0.62 0.12 0.00 0.28 -0.87 0.00 0.00 176.83 175.75 3h4s h SER 1087N 0.54 0.00 -0.38 4.97 0.02 -1.83 -2.95 113.55 113.93 3h4s h SER 1087Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3h4s h SER 1087Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3h4s h SER 1087CO -0.44 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 175.79 3h4s n ARG 1088N -2.75 2.35 -4.25 3.45 5.12 0.09 -1.25 116.66 119.43 3h4s n ARG 1088Ca 0.00 -2.11 -0.14 0.00 -1.93 0.00 0.00 57.85 53.68 3h4s n ARG 1088Cb 0.21 -1.40 -0.10 0.00 -1.16 0.00 0.00 32.46 30.01 3h4s n ARG 1088CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3h4s s SER 1089N -1.17 0.78 -0.16 0.55 1.04 -1.11 -4.69 113.70 108.94 3h4s s SER 1089Ca 0.32 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.33 3h4s s SER 1089Cb 0.18 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 3h4s s SER 1089CO 0.24 -0.73 0.16 -1.00 0.98 0.00 0.00 173.24 172.89 3h4s s HIS 1090N -3.89 3.49 -0.26 5.02 3.76 -0.56 -2.84 115.29 120.01 3h4s s HIS 1090Ca 0.34 0.45 -0.03 0.00 -0.15 0.00 0.00 55.06 55.66 3h4s s HIS 1090Cb 0.07 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.67 3h4s s HIS 1090CO 0.10 0.45 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.25 3h4s s LEU 1091N -0.16 3.31 -0.15 0.89 0.20 0.26 -0.27 118.68 122.76 3h4s s LEU 1091Ca 0.12 -0.76 -0.02 0.00 0.69 0.00 0.00 54.13 54.16 3h4s s LEU 1091Cb -0.12 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 3h4s s LEU 1091CO 0.01 -0.13 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.23 3h4s s ILE 1092N 1.39 3.40 -0.11 6.68 1.09 0.95 -0.80 121.20 133.80 3h4s s ILE 1092Ca 0.02 -0.53 0.02 0.00 -1.10 0.00 0.00 60.65 59.06 3h4s s ILE 1092Cb -0.16 -2.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.78 3h4s s ILE 1092CO -0.03 0.50 -0.18 -0.22 -0.10 0.00 0.00 174.94 174.92 3h4s s LEU 1093N 0.48 1.86 -0.01 2.97 2.96 -0.35 -0.66 118.68 125.94 3h4s s LEU 1093Ca -0.07 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3h4s s LEU 1093Cb -0.15 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3h4s s LEU 1093CO 0.04 0.05 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.55 3h4s s SER 1094N 0.86 1.42 -0.20 3.68 0.01 -0.83 -0.44 113.70 118.20 3h4s s SER 1094Ca -0.08 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.96 3h4s s SER 1094Cb -0.15 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.95 3h4s s SER 1094CO -0.00 0.14 -0.07 -0.69 0.41 0.00 0.00 173.24 173.03 3h4s s VAL 1095N -0.24 1.46 -0.11 3.43 1.01 -0.67 -2.36 120.40 122.91 3h4s s VAL 1095Ca 0.04 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 3h4s s VAL 1095Cb -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3h4s s VAL 1095CO -0.00 0.05 0.70 -0.69 0.00 0.00 0.00 175.10 175.16 3h4s s VAL 1096N 1.46 5.02 -0.33 2.92 1.01 -0.10 -1.32 120.40 129.06 3h4s s VAL 1096Ca -0.03 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 3h4s s VAL 1096Cb -0.17 -4.03 0.08 0.00 0.00 0.00 0.00 36.38 32.26 3h4s s VAL 1096CO -0.07 0.19 0.05 -0.63 0.00 0.00 0.00 175.10 174.64 3h4s s ILE 1097N 1.23 2.78 -0.13 2.22 1.01 0.61 -2.87 121.20 126.05 3h4s s ILE 1097Ca 0.36 -1.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 3h4s s ILE 1097Cb -0.17 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 3h4s s ILE 1097CO 0.15 -0.36 0.22 -1.61 0.00 0.00 0.00 174.94 173.34 3h4s s GLU 1098N 1.12 3.87 0.04 2.79 2.02 0.02 -1.32 118.70 127.25 3h4s s GLU 1098Ca 0.01 0.00 0.01 0.00 0.02 0.00 0.00 54.97 55.01 3h4s s GLU 1098Cb -0.20 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3h4s s GLU 1098CO -0.04 0.54 -0.05 -1.54 0.02 0.00 0.00 175.26 174.19 3h4s s SER 1099N -0.39 0.56 -0.12 -0.19 1.04 0.26 -0.55 113.70 114.31 3h4s s SER 1099Ca 0.15 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 3h4s s SER 1099Cb -0.13 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.13 3h4s s SER 1099CO 0.04 -0.35 -0.02 -0.63 0.98 0.00 0.00 173.24 173.27 3h4s s ILE 1100N -2.16 0.65 -0.15 -1.02 1.01 -0.82 -0.95 121.20 117.76 3h4s s ILE 1100Ca -0.07 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 3h4s s ILE 1100Cb -0.05 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 3h4s s ILE 1100CO -0.03 0.18 1.70 -0.62 0.00 0.00 0.00 174.94 176.17 3h4s s ASP 1101N 1.85 6.40 0.55 3.58 -1.08 0.02 -2.19 116.67 125.80 3h4s s ASP 1101Ca 0.03 1.93 0.37 0.00 -0.52 0.00 0.00 52.55 54.36 3h4s s ASP 1101Cb -0.14 -2.53 1.97 0.00 -1.46 0.00 0.00 42.92 40.76 3h4s s ASP 1101CO -0.07 -1.19 2.12 -0.07 0.52 0.00 0.00 175.17 176.48 3h4s h LEU 1102N 11.41 0.00 -0.29 -1.34 3.38 -0.57 0.12 115.31 128.02 3h4s h LEU 1102Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3h4s h LEU 1102Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3h4s h LEU 1102CO 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 179.50 3h4s n GLN 1103N -2.81 4.66 0.00 1.13 10.64 -1.26 -4.61 117.38 125.13 3h4s n GLN 1103Ca -0.02 -0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.00 3h4s n GLN 1103Cb 0.07 -0.65 -0.00 0.00 -0.86 0.00 0.00 30.24 28.80 3h4s n GLN 1103CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3h4s n THR 1104N -0.71 0.00 -1.03 -0.39 -2.24 -1.18 -4.98 114.28 103.75 3h4s n THR 1104Ca 0.00 -0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 3h4s n THR 1104Cb 0.00 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.23 3h4s n THR 1104CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h4s n GLN 1105N -0.80 -1.87 -1.94 -0.78 1.13 0.42 -4.93 117.38 108.61 3h4s n GLN 1105Ca 0.00 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.16 3h4s n GLN 1105Cb 0.01 -4.93 -0.03 0.00 0.11 0.00 0.00 30.24 25.40 3h4s n GLN 1105CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3h4s s SER 1106N -2.05 6.61 0.08 1.08 0.15 -1.25 -4.67 113.70 113.65 3h4s s SER 1106Ca 0.00 2.43 -0.06 0.00 0.70 0.00 0.00 55.95 59.03 3h4s s SER 1106Cb 0.00 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 3h4s s SER 1106CO 0.00 -0.90 0.32 0.00 1.20 0.00 0.00 173.24 173.86 3h4s s ALA 1107N 3.07 3.83 -0.01 5.45 0.00 -1.26 -0.80 121.76 132.05 3h4s s ALA 1107Ca 0.75 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 3h4s s ALA 1107Cb -0.38 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3h4s s ALA 1107CO 0.32 0.67 0.11 0.00 0.00 0.00 0.00 175.76 176.86 3h4s s ALA 1108N -1.48 -0.27 -0.21 0.00 0.00 -0.13 -5.00 121.76 114.68 3h4s s ALA 1108Ca 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 3h4s s ALA 1108Cb -0.13 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.15 3h4s s ALA 1108CO 0.21 -0.17 0.32 0.50 0.00 0.00 0.00 175.76 176.61 3h4s s ARG 1109N -1.11 0.26 0.42 0.00 3.52 -1.26 -0.58 118.95 120.20 3h4s s ARG 1109Ca -0.12 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.09 3h4s s ARG 1109Cb -0.07 -0.51 -0.07 0.00 -1.56 0.00 0.00 34.95 32.75 3h4s s ARG 1109CO 0.01 -0.53 0.05 0.20 -0.81 0.00 0.00 175.30 174.22 3h4s s GLY 1110N 2.47 2.51 -0.03 8.12 0.00 -0.43 -4.55 107.32 115.41 3h4s s GLY 1110Ca 0.07 -2.10 0.02 0.00 0.00 0.00 0.00 44.72 42.71 3h4s s GLY 1110CO -0.13 -2.07 -0.07 1.25 0.00 0.00 0.00 173.10 172.09 3h4s s LYS 1111N -3.77 0.83 -0.37 2.90 2.20 -0.99 -0.28 119.74 120.26 3h4s s LYS 1111Ca 0.34 -0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 3h4s s LYS 1111Cb 0.08 -0.80 0.09 0.00 -1.51 0.00 0.00 37.83 35.69 3h4s s LYS 1111CO 0.18 0.04 0.13 -1.17 -0.36 0.00 0.00 175.35 174.17 3h4s s LEU 1112N 0.39 4.77 0.04 5.43 2.96 -0.43 0.21 118.68 132.04 3h4s s LEU 1112Ca -0.06 -1.74 0.03 0.00 -0.22 0.00 0.00 54.13 52.14 3h4s s LEU 1112Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3h4s s LEU 1112CO 0.00 -0.44 0.01 -0.44 -1.32 0.00 0.00 176.35 174.16 3h4s s SER 1113N 1.59 5.13 -0.11 3.68 0.01 -0.00 -1.67 113.70 122.33 3h4s s SER 1113Ca 0.04 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.24 3h4s s SER 1113Cb -0.21 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 64.73 3h4s s SER 1113CO -0.03 0.24 -0.09 -0.36 0.41 0.00 0.00 173.24 173.40 3h4s s PHE 1114N -1.19 1.55 -0.23 2.43 0.40 0.42 -1.82 117.98 119.56 3h4s s PHE 1114Ca 0.22 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3h4s s PHE 1114Cb -0.12 -1.23 0.04 0.00 0.51 0.00 0.00 43.02 42.22 3h4s s PHE 1114CO 0.14 -0.47 -0.14 0.08 0.70 0.00 0.00 175.22 175.52 3h4s s VAL 1115N 1.43 2.09 -0.66 -0.44 1.01 0.32 -1.21 120.40 122.94 3h4s s VAL 1115Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.47 3h4s s VAL 1115Cb -0.13 -2.09 0.14 0.00 0.00 0.00 0.00 36.38 34.30 3h4s s VAL 1115CO -0.06 0.19 0.70 -0.62 0.00 0.00 0.00 175.10 175.31 3h4s s ASP 1116N 1.19 6.35 0.80 3.32 -1.08 0.02 -1.83 116.67 125.44 3h4s s ASP 1116Ca -0.03 -1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 50.02 3h4s s ASP 1116Cb -0.17 -2.26 0.07 0.00 -1.46 0.00 0.00 42.92 39.10 3h4s s ASP 1116CO -0.08 -0.92 1.10 -0.76 0.52 0.00 0.00 175.17 175.03 3h4s s LEU 1117N 1.82 2.93 0.65 -1.34 1.43 -1.11 -0.58 118.68 122.48 3h4s s LEU 1117Ca 0.12 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.92 3h4s s LEU 1117Cb -0.21 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 3h4s s LEU 1117CO 0.01 -2.21 1.07 0.00 0.23 0.00 0.00 176.35 175.44 3h4s s ALA 1118N -2.88 2.65 0.28 4.21 0.00 -1.13 -4.79 121.76 120.10 3h4s s ALA 1118Ca 0.62 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3h4s s ALA 1118Cb -0.18 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 3h4s s ALA 1118CO 0.56 -1.08 1.01 0.41 0.00 0.00 0.00 175.76 176.66 3h4s n GLY 1119N -1.29 -0.28 0.05 0.00 0.00 -0.38 -4.75 105.19 98.54 3h4s n GLY 1119Ca 0.09 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.56 3h4s n GLY 1119CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h4s n SER 1120N 1.30 0.84 -4.56 1.61 3.41 -1.11 -4.87 113.62 110.24 3h4s n SER 1120Ca 0.10 -0.68 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 3h4s n SER 1120Cb 0.31 0.56 0.02 0.00 -0.26 0.00 0.00 64.21 64.84 3h4s n SER 1120CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3h4s n GLU 1121N -1.34 1.04 -2.49 4.33 0.00 -1.26 -4.93 120.64 115.98 3h4s n GLU 1121Ca 0.06 0.38 -0.23 0.00 0.00 0.00 0.00 57.16 57.36 3h4s n GLU 1121Cb 0.34 -1.92 0.07 0.00 0.00 0.00 0.00 31.44 29.93 3h4s n GLU 1121CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3h4s s ARG 1122N -2.05 2.16 -0.20 3.44 0.52 -1.26 -5.01 118.95 116.55 3h4s s ARG 1122Ca 0.66 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 3h4s s ARG 1122Cb -0.53 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 3h4s s ARG 1122CO 0.55 -1.10 1.30 0.08 0.02 0.00 0.00 175.30 176.15 3h4s s VAL 1123N -3.02 4.21 -0.24 3.52 1.01 -1.26 -4.82 120.40 119.79 3h4s s VAL 1123Ca 0.61 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.85 3h4s s VAL 1123Cb -0.09 -4.02 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 3h4s s VAL 1123CO 0.42 -0.23 -0.09 0.29 0.00 0.00 0.00 175.10 175.49 3h4s n LYS 1124N 6.85 0.57 -0.95 2.72 5.02 -1.26 -5.01 118.16 126.10 3h4s n LYS 1124Ca 0.14 0.41 -0.37 0.00 -2.02 0.00 0.00 58.31 56.47 3h4s n LYS 1124Cb 0.45 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 3h4s n LYS 1124CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h4s n LYS 1125N -4.35 0.00 -1.97 1.97 5.02 -1.26 -4.83 118.16 112.74 3h4s n LYS 1125Ca -0.42 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.52 3h4s n LYS 1125Cb 0.76 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.80 3h4s n LYS 1125CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3h4s s SER 1126N 0.21 5.10 -1.08 4.39 0.01 -1.26 -3.94 113.70 117.14 3h4s s SER 1126Ca 0.58 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 58.07 3h4s s SER 1126Cb -0.81 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 62.87 3h4s s SER 1126CO 0.37 -2.54 0.91 0.61 0.41 0.00 0.00 173.24 173.00 3h4s n GLY 1127N 5.96 -0.59 3.82 3.44 0.00 -1.26 -5.00 105.19 111.55 3h4s n GLY 1127Ca 0.26 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 3h4s n GLY 1127CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h4s s SER 1128N -3.93 6.11 0.26 1.61 1.04 -1.25 -5.06 113.70 112.48 3h4s s SER 1128Ca 0.16 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.35 3h4s s SER 1128Cb -0.02 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3h4s s SER 1128CO 0.69 -0.94 0.27 0.00 0.98 0.00 0.00 173.24 174.24 3h4s s ALA 1129N -2.58 3.74 0.00 5.32 0.00 -1.26 -4.78 121.76 122.20 3h4s s ALA 1129Ca 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3h4s s ALA 1129Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3h4s s ALA 1129CO 0.36 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.75 3h4s n GLY 1130N -1.29 0.00 0.27 0.00 0.00 -1.26 -1.13 105.19 101.79 3h4s n GLY 1130Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3h4s n GLY 1130CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h4s n ASN 1131N -2.41 -0.01 -0.07 1.61 6.94 -1.26 -1.02 115.26 119.05 3h4s n ASN 1131Ca 0.00 1.35 0.01 0.00 -0.02 0.00 0.00 54.58 55.92 3h4s n ASN 1131Cb 0.00 -0.53 0.01 0.00 -2.36 0.00 0.00 39.78 36.90 3h4s n ASN 1131CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h4s n GLN 1132N -5.06 0.92 -0.11 -3.83 6.02 -0.28 -4.84 117.38 110.20 3h4s n GLN 1132Ca 0.22 -0.98 -0.20 0.00 -0.01 0.00 0.00 57.00 56.03 3h4s n GLN 1132Cb 0.72 -0.71 -0.08 0.00 1.02 0.00 0.00 30.24 31.19 3h4s n GLN 1132CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3h4s n LEU 1133N -0.24 1.91 0.27 1.08 -0.00 -0.19 -3.81 117.00 116.02 3h4s n LEU 1133Ca 0.01 0.40 0.10 0.00 -0.00 0.00 0.00 56.01 56.52 3h4s n LEU 1133Cb 0.46 -0.85 0.71 0.00 -0.00 0.00 0.00 43.42 43.74 3h4s n LEU 1133CO 0.00 0.18 1.06 0.50 -0.00 0.00 0.00 177.39 179.13 3h4s h LYS 1134N -1.00 0.00 0.04 1.96 3.64 -1.76 0.12 116.57 119.57 3h4s h LYS 1134Ca -0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3h4s h LYS 1134Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3h4s h LYS 1134CO -0.22 0.02 -0.02 1.49 -2.27 0.00 0.00 179.45 178.45 3h4s h GLU 1135N 0.00 -0.05 -0.39 1.90 4.81 -1.76 0.05 114.58 119.14 3h4s h GLU 1135Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3h4s h GLU 1135Cb 0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3h4s h GLU 1135CO 0.00 0.16 0.12 0.00 -0.73 0.00 0.00 179.01 178.56 3h4s h ALA 1136N 0.71 0.50 -0.96 2.92 0.00 -1.43 0.16 119.26 121.17 3h4s h ALA 1136Ca -0.01 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h4s h ALA 1136Cb 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3h4s h ALA 1136CO 0.01 0.14 0.61 0.37 0.00 0.00 0.00 179.25 180.38 3h4s h GLN 1137N 0.48 0.96 -0.29 0.00 4.15 -0.91 0.81 115.11 120.30 3h4s h GLN 1137Ca 0.12 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 3h4s h GLN 1137Cb 0.25 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3h4s h GLN 1137CO -0.00 0.64 -0.43 1.03 -1.93 0.00 0.00 178.83 178.14 3h4s h SER 1138N 0.99 0.88 -0.35 -0.69 0.87 -0.08 -2.43 113.55 112.74 3h4s h SER 1138Ca 0.44 -0.51 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 3h4s h SER 1138Cb 0.37 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3h4s h SER 1138CO -0.20 1.22 -0.05 0.40 -0.53 0.00 0.00 176.83 177.66 3h4s h ILE 1139N 0.57 1.27 -0.95 2.23 2.04 0.17 -2.09 117.51 120.75 3h4s h ILE 1139Ca 0.03 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.85 3h4s h ILE 1139Cb 1.03 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3h4s h ILE 1139CO 0.10 0.36 0.62 -1.13 0.00 0.00 0.00 178.15 178.09 3h4s h ASN 1140N 0.45 1.01 -0.40 1.72 -1.24 -0.89 -1.95 115.58 114.28 3h4s h ASN 1140Ca 0.09 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 3h4s h ASN 1140Cb 0.54 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 3h4s h ASN 1140CO 0.03 0.68 0.13 0.50 -1.29 0.00 0.00 177.43 177.47 3h4s h LYS 1141N 1.17 0.61 -0.33 6.67 3.64 -1.12 -0.27 116.57 126.93 3h4s h LYS 1141Ca 0.39 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 3h4s h LYS 1141Cb 0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3h4s h LYS 1141CO -0.14 0.61 -0.28 0.66 -2.27 0.00 0.00 179.45 178.03 3h4s h SER 1142N 0.50 0.82 -0.37 4.20 4.64 -1.11 -0.10 113.55 122.13 3h4s h SER 1142Ca 0.13 -0.45 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 3h4s h SER 1142Cb 0.25 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3h4s h SER 1142CO -0.01 1.10 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.85 3h4s h LEU 1143N 0.55 0.82 -0.45 5.97 3.38 -1.33 -1.76 115.31 122.49 3h4s h LEU 1143Ca 0.06 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3h4s h LEU 1143Cb 0.85 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3h4s h LEU 1143CO 0.07 0.97 -0.12 0.28 0.09 0.00 0.00 178.44 179.73 3h4s h SER 1144N 0.74 0.87 -0.84 -0.43 0.02 -0.99 -1.08 113.55 111.84 3h4s h SER 1144Ca 0.12 -0.36 0.10 0.00 -0.84 0.00 0.00 61.79 60.80 3h4s h SER 1144Cb 0.64 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 3h4s h SER 1144CO 0.04 1.04 0.49 0.00 -1.14 0.00 0.00 176.83 177.26 3h4s h ALA 1145N 0.87 1.21 -0.55 3.77 0.00 -0.53 0.30 119.26 124.32 3h4s h ALA 1145Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3h4s h ALA 1145Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h4s h ALA 1145CO 0.05 0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.65 3h4s h LEU 1146N 0.81 0.93 -0.86 0.00 5.85 -1.08 0.10 115.31 121.06 3h4s h LEU 1146Ca 0.41 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3h4s h LEU 1146Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3h4s h LEU 1146CO -0.25 0.99 -0.34 1.23 -0.34 0.00 0.00 178.44 179.73 3h4s h GLY 1147N 0.99 0.48 1.44 3.75 0.00 0.44 -2.15 103.07 108.02 3h4s h GLY 1147Ca 0.16 -0.43 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 3h4s h GLY 1147CO 0.03 0.39 -1.24 -0.55 0.00 0.00 0.00 176.54 175.17 3h4s h ASP 1148N 0.38 0.65 0.31 0.19 3.32 -0.18 -1.20 116.42 119.90 3h4s h ASP 1148Ca 0.04 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3h4s h ASP 1148Cb 0.77 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3h4s h ASP 1148CO 0.06 1.47 -0.17 0.58 -1.72 0.00 0.00 179.24 179.46 3h4s h VAL 1149N 0.17 0.65 -0.24 -1.35 2.07 -0.73 -0.27 116.25 116.55 3h4s h VAL 1149Ca -0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3h4s h VAL 1149Cb 1.92 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3h4s h VAL 1149CO 0.22 0.00 0.09 0.40 0.02 0.00 0.00 177.57 178.30 3h4s h ILE 1150N -0.45 0.95 -0.50 4.57 2.04 -1.43 -1.27 117.51 121.42 3h4s h ILE 1150Ca -0.04 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3h4s h ILE 1150Cb 0.36 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3h4s h ILE 1150CO 0.05 0.04 0.15 1.23 0.00 0.00 0.00 178.15 179.62 3h4s h GLY 1151N 0.20 0.65 1.23 5.37 0.00 -1.04 -1.33 103.07 108.16 3h4s h GLY 1151Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3h4s h GLY 1151CO -0.10 -0.02 0.46 0.00 0.00 0.00 0.00 176.54 176.88 3h4s h ALA 1152N 1.35 1.39 0.00 3.60 0.00 -0.67 -1.62 119.26 123.31 3h4s h ALA 1152Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h4s h ALA 1152Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h4s h ALA 1152CO -0.27 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 3h4s h LEU 1153N 1.04 0.00 0.08 0.00 3.38 -0.12 -3.00 115.31 116.68 3h4s h LEU 1153Ca 0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.90 3h4s h LEU 1153Cb -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3h4s h LEU 1153CO -0.05 0.10 -1.94 -1.54 0.09 0.00 0.00 178.44 175.10 3h4s n SER 1154N -3.39 1.66 0.00 -0.43 3.41 -0.74 -1.24 113.62 112.89 3h4s n SER 1154Ca -0.01 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 3h4s n SER 1154Cb 0.27 -0.53 0.51 0.00 -0.26 0.00 0.00 64.21 64.20 3h4s n SER 1154CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h4s n SER 1155N -3.31 0.00 -1.27 4.04 7.64 -0.69 -4.26 113.62 115.77 3h4s n SER 1155Ca -0.28 -0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.35 3h4s n SER 1155Cb 1.05 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 64.07 3h4s n SER 1155CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h4s n GLY 1156N 0.28 0.34 3.84 0.23 0.00 -1.20 -5.03 105.19 103.65 3h4s n GLY 1156Ca 0.11 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3h4s n GLY 1156CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h4s s ASN 1157N -2.96 6.83 0.22 1.61 3.84 -1.15 -4.73 114.94 118.59 3h4s s ASN 1157Ca 0.13 1.11 0.20 0.00 0.21 0.00 0.00 52.86 54.51 3h4s s ASN 1157Cb -0.06 -2.30 0.04 0.00 -0.55 0.00 0.00 41.25 38.38 3h4s s ASN 1157CO 0.16 0.05 1.16 1.56 -2.79 0.00 0.00 177.10 177.24 3h4s h GLN 1158N 3.34 0.00 -4.88 0.43 7.50 -1.96 -3.44 115.11 116.10 3h4s h GLN 1158Ca -0.48 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.02 3h4s h GLN 1158Cb 1.19 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.54 3h4s h GLN 1158CO 0.66 0.16 -0.53 -1.58 -1.50 0.00 0.00 178.83 176.04 3h4s s HIS 1159N -3.15 3.20 -0.33 2.96 2.46 -1.26 -5.05 115.29 114.12 3h4s s HIS 1159Ca 0.01 -0.01 -0.04 0.00 0.47 0.00 0.00 55.06 55.49 3h4s s HIS 1159Cb 0.08 -2.37 0.05 0.00 -0.13 0.00 0.00 32.58 30.21 3h4s s HIS 1159CO 0.77 -0.22 0.07 0.42 -2.47 0.00 0.00 174.74 173.31 3h4s s ILE 1160N 1.73 3.33 -0.96 0.89 -1.09 -1.26 -4.91 121.20 118.93 3h4s s ILE 1160Ca 0.07 -1.38 -0.24 0.00 -2.23 0.00 0.00 60.65 56.86 3h4s s ILE 1160Cb -0.16 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 3h4s s ILE 1160CO 0.10 -0.22 1.90 -2.16 -1.23 0.00 0.00 174.94 173.33 3h4s s PRO 1161N 1.29 2.65 0.04 2.79 0.04 -1.26 -4.53 135.00 136.03 3h4s s PRO 1161Ca -0.02 -0.51 0.13 0.00 0.04 0.00 0.00 61.00 60.64 3h4s s PRO 1161Cb -0.20 -5.12 -0.17 0.00 0.04 0.00 0.00 34.50 29.04 3h4s s PRO 1161CO -0.00 -3.35 0.89 1.88 0.04 0.00 0.00 177.00 176.46 3h4s h TYR 1162N 10.89 0.00 -0.14 0.56 0.05 -1.93 -3.36 116.97 123.04 3h4s h TYR 1162Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3h4s h TYR 1162Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 3h4s h TYR 1162CO 1.23 0.84 0.00 0.54 -1.05 0.00 0.00 178.16 179.71 3h4s n ARG 1163N -3.07 1.34 0.03 4.88 1.74 -1.26 -2.60 116.66 117.72 3h4s n ARG 1163Ca -0.10 -0.53 0.07 0.00 -0.77 0.00 0.00 57.85 56.52 3h4s n ARG 1163Cb 0.94 -1.16 0.30 0.00 -1.02 0.00 0.00 32.46 31.53 3h4s n ARG 1163CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3h4s n ASN 1164N -0.10 0.15 -3.62 0.55 4.13 -1.26 -4.81 115.26 110.30 3h4s n ASN 1164Ca 0.07 0.54 -0.03 0.00 1.68 0.00 0.00 54.58 56.84 3h4s n ASN 1164Cb 0.14 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 37.78 3h4s n ASN 1164CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3h4s s HIS 1165N -3.09 -0.07 0.42 3.10 2.46 -1.25 -4.89 115.29 111.99 3h4s s HIS 1165Ca 0.05 0.05 0.13 0.00 0.47 0.00 0.00 55.06 55.76 3h4s s HIS 1165Cb 0.08 0.51 0.92 0.00 -0.13 0.00 0.00 32.58 33.95 3h4s s HIS 1165CO 0.24 -0.10 1.95 0.87 -2.47 0.00 0.00 174.74 175.23 3h4s h LYS 1166N 2.01 0.02 -0.21 2.88 1.57 -1.87 -2.57 116.57 118.41 3h4s h LYS 1166Ca -0.05 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3h4s h LYS 1166Cb 1.15 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 3h4s h LYS 1166CO 0.21 0.24 -0.08 1.25 -0.57 0.00 0.00 179.45 180.50 3h4s h LEU 1167N 0.02 -0.27 -0.62 2.94 5.85 -1.92 0.30 115.31 121.62 3h4s h LEU 1167Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3h4s h LEU 1167Cb 0.40 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3h4s h LEU 1167CO 0.03 -0.10 -0.06 0.71 -0.34 0.00 0.00 178.44 178.68 3h4s h THR 1168N -0.04 0.11 0.02 1.05 1.35 -1.72 -2.42 112.91 111.26 3h4s h THR 1168Ca 0.11 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3h4s h THR 1168Cb 0.20 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3h4s h THR 1168CO -0.24 0.06 -0.01 0.24 -0.25 0.00 0.00 175.52 175.32 3h4s h MET 1169N 0.00 -0.02 -0.58 4.72 2.86 -0.90 -1.32 114.93 119.69 3h4s h MET 1169Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3h4s h MET 1169Cb 0.83 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3h4s h MET 1169CO 0.01 0.58 0.38 1.25 1.06 0.00 0.00 176.91 180.19 3h4s h LEU 1170N -0.64 0.52 -2.94 1.22 5.85 -0.38 -2.27 115.31 116.67 3h4s h LEU 1170Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h4s h LEU 1170Cb 0.61 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h4s h LEU 1170CO 0.00 0.34 0.00 0.23 -0.34 0.00 0.00 178.44 178.68 3h4s n MET 1171N -4.47 3.08 0.00 1.25 2.81 -0.92 -4.60 117.12 114.27 3h4s n MET 1171Ca 0.08 -2.57 0.21 0.00 -1.81 0.00 0.00 57.70 53.61 3h4s n MET 1171Cb 0.20 -1.60 0.71 0.00 -0.71 0.00 0.00 33.22 31.83 3h4s n MET 1171CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3h4s h SER 1172N 3.39 0.00 0.84 7.83 4.64 -0.61 -0.71 113.55 128.93 3h4s h SER 1172Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h4s h SER 1172Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3h4s h SER 1172CO 0.08 0.00 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.10 3h4s n ASP 1173N -4.24 0.06 -0.30 4.97 5.68 -1.26 -3.37 116.55 118.09 3h4s n ASP 1173Ca 0.10 0.26 0.09 0.00 -0.50 0.00 0.00 54.79 54.74 3h4s n ASP 1173Cb 0.64 -0.38 0.17 0.00 -1.14 0.00 0.00 41.12 40.41 3h4s n ASP 1173CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3h4s n SER 1174N -1.43 2.77 -3.70 -1.12 7.64 -0.28 -4.74 113.62 112.75 3h4s n SER 1174Ca 0.09 -3.02 -0.29 0.00 1.01 0.00 0.00 58.87 56.65 3h4s n SER 1174Cb 0.32 -0.45 -0.15 0.00 -1.01 0.00 0.00 64.21 62.92 3h4s n SER 1174CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h4s s LEU 1175N -2.79 1.81 0.00 -3.43 1.43 -1.18 -4.63 118.68 109.90 3h4s s LEU 1175Ca 0.34 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 3h4s s LEU 1175Cb 0.29 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.76 3h4s s LEU 1175CO 0.05 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.83 3h4s n GLY 1176N 4.94 0.68 0.00 -3.19 0.00 -1.26 -4.93 105.19 101.43 3h4s n GLY 1176Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3h4s n GLY 1176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4s n GLY 1177N 0.00 0.00 0.08 -0.02 0.00 -1.26 -3.00 105.19 100.99 3h4s n GLY 1177Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3h4s n GLY 1177CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h4s h ASN 1178N 0.00 0.00 -3.10 1.61 2.35 -1.95 -2.89 115.58 111.60 3h4s h ASN 1178Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 3h4s h ASN 1178Cb 0.00 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.53 3h4s h ASN 1178CO 0.00 0.86 -0.12 0.00 -1.65 0.00 0.00 177.43 176.52 3h4s n ALA 1179N -2.46 -0.50 -2.92 -0.83 0.00 -1.16 -4.10 120.51 108.54 3h4s n ALA 1179Ca -0.11 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 3h4s n ALA 1179Cb 0.96 -1.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 3h4s n ALA 1179CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h4s s LYS 1180N -2.21 3.68 -0.06 0.00 -0.14 -0.29 -2.94 119.74 117.78 3h4s s LYS 1180Ca 0.69 -0.47 0.05 0.00 -1.36 0.00 0.00 55.97 54.87 3h4s s LYS 1180Cb -0.48 -3.44 -0.00 0.00 -1.68 0.00 0.00 37.83 32.23 3h4s s LYS 1180CO 0.53 -0.22 -0.20 0.99 -0.76 0.00 0.00 175.35 175.69 3h4s s THR 1181N 1.65 1.72 -0.06 2.17 2.01 -1.22 -1.65 115.64 120.27 3h4s s THR 1181Ca 0.06 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.21 3h4s s THR 1181Cb -0.16 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.89 3h4s s THR 1181CO 0.06 0.49 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.19 3h4s s LEU 1182N 0.11 1.33 -0.11 4.42 2.96 -0.39 -1.11 118.68 125.88 3h4s s LEU 1182Ca -0.08 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3h4s s LEU 1182Cb -0.14 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 3h4s s LEU 1182CO 0.04 -0.05 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.55 3h4s s MET 1183N 1.03 3.18 -0.21 1.98 -2.45 0.52 -1.12 119.30 122.24 3h4s s MET 1183Ca -0.09 -0.72 -0.13 0.00 -1.25 0.00 0.00 55.69 53.50 3h4s s MET 1183Cb -0.14 -2.53 -0.05 0.00 1.25 0.00 0.00 34.83 33.36 3h4s s MET 1183CO -0.00 0.28 0.25 -0.06 1.05 0.00 0.00 175.02 176.54 3h4s s PHE 1184N 0.17 3.37 -0.46 4.11 0.40 0.28 0.16 117.98 126.00 3h4s s PHE 1184Ca -0.08 0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.57 3h4s s PHE 1184Cb -0.15 -2.35 0.11 0.00 0.51 0.00 0.00 43.02 41.14 3h4s s PHE 1184CO 0.05 0.10 0.34 0.54 0.70 0.00 0.00 175.22 176.95 3h4s s VAL 1185N 0.95 4.29 -0.00 -0.44 0.11 0.13 -0.28 120.40 125.16 3h4s s VAL 1185Ca 0.13 -1.68 -0.28 0.00 -2.93 0.00 0.00 61.98 57.22 3h4s s VAL 1185Cb -0.13 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 3h4s s VAL 1185CO 0.05 -0.72 0.89 0.20 -3.33 0.00 0.00 175.10 172.19 3h4s s ASN 1186N 2.61 7.27 -0.00 3.54 -0.87 0.18 -1.64 114.94 126.03 3h4s s ASN 1186Ca 0.05 1.54 -0.07 0.00 -1.57 0.00 0.00 52.86 52.81 3h4s s ASN 1186Cb -0.26 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.45 3h4s s ASN 1186CO 0.00 -0.19 0.14 0.54 -2.57 0.00 0.00 177.10 175.02 3h4s s VAL 1187N 0.79 0.07 -0.10 1.60 0.11 -0.66 -4.27 120.40 117.93 3h4s s VAL 1187Ca 0.47 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.75 3h4s s VAL 1187Cb -0.20 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 3h4s s VAL 1187CO 0.25 -0.34 0.39 -0.55 -3.33 0.00 0.00 175.10 171.52 3h4s s SER 1188N -1.20 6.63 0.00 3.54 0.15 -1.26 -2.76 113.70 118.79 3h4s s SER 1188Ca -0.13 0.74 0.29 0.00 0.70 0.00 0.00 55.95 57.56 3h4s s SER 1188Cb -0.07 -2.24 1.35 0.00 -1.71 0.00 0.00 66.02 63.35 3h4s s SER 1188CO 0.01 0.14 1.91 -0.81 1.20 0.00 0.00 173.24 175.69 3h4s n PRO 1189N 3.08 1.43 -2.08 5.44 -0.04 -1.26 -4.73 135.00 136.83 3h4s n PRO 1189Ca -0.11 -0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 62.32 3h4s n PRO 1189Cb 0.52 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3h4s n PRO 1189CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h4s s ALA 1190N -2.00 3.56 0.36 0.55 0.00 -1.26 -1.01 121.76 121.96 3h4s s ALA 1190Ca 0.41 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.69 3h4s s ALA 1190Cb 0.21 -3.52 0.72 0.00 0.00 0.00 0.00 23.12 20.54 3h4s s ALA 1190CO 0.34 -0.67 1.96 1.49 0.00 0.00 0.00 175.76 178.88 3h4s h GLU 1191N 4.47 0.76 0.00 0.00 4.81 -1.75 -0.99 114.58 121.88 3h4s h GLU 1191Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3h4s h GLU 1191Cb 1.22 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3h4s h GLU 1191CO 0.73 0.50 0.00 -1.13 -0.73 0.00 0.00 179.01 178.38 3h4s n SER 1192N -4.48 0.00 -0.12 1.04 3.41 -1.26 -2.13 113.62 110.09 3h4s n SER 1192Ca 0.10 0.40 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 3h4s n SER 1192Cb 0.21 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3h4s n SER 1192CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h4s n ASN 1193N -1.43 1.38 -0.35 4.04 3.02 -0.39 -4.73 115.26 116.80 3h4s n ASN 1193Ca 0.02 -1.25 0.29 0.00 -0.03 0.00 0.00 54.58 53.61 3h4s n ASN 1193Cb 0.06 -0.01 0.60 0.00 -0.61 0.00 0.00 39.78 39.82 3h4s n ASN 1193CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3h4s h LEU 1194N 0.54 0.30 0.55 3.41 6.46 -1.24 0.65 115.31 125.98 3h4s h LEU 1194Ca 0.00 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3h4s h LEU 1194Cb 0.18 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3h4s h LEU 1194CO 0.00 0.02 -0.26 -0.78 -0.62 0.00 0.00 178.44 176.79 3h4s h ASP 1195N 0.24 -0.63 0.06 1.25 3.58 -1.85 0.35 116.42 119.43 3h4s h ASP 1195Ca 0.63 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.96 3h4s h ASP 1195Cb 1.90 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.10 3h4s h ASP 1195CO -0.24 -0.44 -0.44 -0.33 -2.88 0.00 0.00 179.24 174.91 3h4s h GLU 1196N -0.76 0.47 -0.82 0.28 4.39 -1.62 -2.07 114.58 114.46 3h4s h GLU 1196Ca -0.08 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 3h4s h GLU 1196Cb 0.57 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 3h4s h GLU 1196CO 0.12 0.82 0.39 1.15 -1.16 0.00 0.00 179.01 180.33 3h4s h THR 1197N 0.38 1.25 -0.61 1.13 2.02 -0.85 -0.23 112.91 116.01 3h4s h THR 1197Ca 0.03 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 3h4s h THR 1197Cb 0.93 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3h4s h THR 1197CO 0.08 0.31 0.06 0.22 0.37 0.00 0.00 175.52 176.56 3h4s h TYR 1198N 1.16 1.08 -0.68 3.16 3.20 -0.63 -1.15 116.97 123.10 3h4s h TYR 1198Ca 0.28 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3h4s h TYR 1198Cb 0.12 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3h4s h TYR 1198CO 0.01 0.93 0.13 -0.91 -1.64 0.00 0.00 178.16 176.69 3h4s h ASN 1199N 0.94 1.06 -0.08 -2.11 2.35 -0.79 -2.20 115.58 114.75 3h4s h ASN 1199Ca 0.18 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3h4s h ASN 1199Cb 0.46 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3h4s h ASN 1199CO 0.02 1.04 0.02 0.28 -1.65 0.00 0.00 177.43 177.14 3h4s h SER 1200N 1.04 0.12 -0.89 5.81 0.02 -0.78 -1.74 113.55 117.14 3h4s h SER 1200Ca 0.21 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3h4s h SER 1200Cb 0.42 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3h4s h SER 1200CO 0.01 0.30 0.58 -0.07 -1.14 0.00 0.00 176.83 176.51 3h4s h LEU 1201N -0.06 0.90 -0.06 5.07 3.38 -1.16 0.11 115.31 123.49 3h4s h LEU 1201Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3h4s h LEU 1201Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h4s h LEU 1201CO -0.00 0.58 -0.03 -0.07 0.09 0.00 0.00 178.44 179.02 3h4s h LEU 1202N 1.02 0.13 0.09 1.67 3.38 -1.23 0.93 115.31 121.31 3h4s h LEU 1202Ca 0.38 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h4s h LEU 1202Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3h4s h LEU 1202CO -0.14 0.51 -0.23 0.22 0.09 0.00 0.00 178.44 178.90 3h4s h TYR 1203N -0.25 -0.60 -0.90 1.13 3.20 -1.00 -1.58 116.97 116.97 3h4s h TYR 1203Ca 0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3h4s h TYR 1203Cb 0.46 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 3h4s h TYR 1203CO 0.07 -0.32 0.59 0.00 -1.64 0.00 0.00 178.16 176.86 3h4s h ALA 1204N 0.39 1.43 -0.71 1.82 0.00 -0.66 -2.06 119.26 119.46 3h4s h ALA 1204Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3h4s h ALA 1204Cb 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h4s h ALA 1204CO -0.15 0.49 0.24 0.77 0.00 0.00 0.00 179.25 180.60 3h4s h SER 1205N 1.13 1.01 -0.46 0.00 0.02 -0.38 -2.72 113.55 112.14 3h4s h SER 1205Ca 0.36 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3h4s h SER 1205Cb 0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3h4s h SER 1205CO -0.11 0.93 -0.07 0.03 -1.14 0.00 0.00 176.83 176.47 3h4s h ARG 1206N 1.05 0.87 -0.70 3.45 3.08 -0.70 -3.15 114.38 118.28 3h4s h ARG 1206Ca 0.23 -0.31 0.08 0.00 0.07 0.00 0.00 59.98 60.05 3h4s h ARG 1206Cb 0.27 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3h4s h ARG 1206CO -0.01 0.95 0.46 0.28 -1.07 0.00 0.00 179.97 180.58 3h4s h VAL 1207N 0.71 0.97 -1.58 2.04 2.07 -1.10 -3.41 116.25 115.95 3h4s h VAL 1207Ca 0.12 -0.23 -0.63 0.00 0.82 0.00 0.00 66.70 66.79 3h4s h VAL 1207Cb 0.61 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3h4s h VAL 1207CO 0.04 0.12 1.43 0.54 0.02 0.00 0.00 177.57 179.72 3h4s n ARG 1208N -4.48 1.58 -3.79 1.57 5.12 -1.06 -4.80 116.66 110.80 3h4s n ARG 1208Ca 0.11 0.45 -0.09 0.00 -1.93 0.00 0.00 57.85 56.38 3h4s n ARG 1208Cb 0.28 -2.84 -0.04 0.00 -1.16 0.00 0.00 32.46 28.70 3h4s n ARG 1208CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3h4s s THR 1209N 7.53 0.02 -0.27 0.55 -4.23 -1.17 -5.02 115.64 113.05 3h4s s THR 1209Ca 1.04 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 3h4s s THR 1209Cb -0.60 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 71.57 3h4s s THR 1209CO 0.43 -0.11 0.00 -0.63 -0.54 0.00 0.00 174.62 173.77 3h4s s ILE 1210N -3.90 3.32 -0.03 2.99 1.01 -1.26 -0.82 121.20 122.51 3h4s s ILE 1210Ca 0.11 -0.94 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 3h4s s ILE 1210Cb -0.01 -2.72 -0.10 0.00 0.01 0.00 0.00 42.46 39.64 3h4s s ILE 1210CO -0.01 0.11 1.96 0.52 0.00 0.00 0.00 174.94 177.53 3h4s n VAL 1211N 4.74 0.68 -3.31 2.92 0.31 0.36 -4.63 118.33 119.40 3h4s n VAL 1211Ca -0.15 -0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 63.69 3h4s n VAL 1211Cb 0.47 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 3h4s n VAL 1211CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3h4s s ASN 1212N 4.56 6.81 -0.42 4.52 2.47 -0.38 -4.86 114.94 127.64 3h4s s ASN 1212Ca 0.91 1.11 -0.19 0.00 0.42 0.00 0.00 52.86 55.11 3h4s s ASN 1212Cb -0.53 -2.30 0.02 0.00 -1.45 0.00 0.00 41.25 36.98 3h4s s ASN 1212CO 0.46 0.03 0.55 -0.62 -3.72 0.00 0.00 177.10 173.79 3h4s s ASP 1213N -1.90 6.28 0.32 -4.21 3.68 -1.26 -4.69 116.67 114.89 3h4s s ASP 1213Ca 0.42 -0.39 0.07 0.00 2.13 0.00 0.00 52.55 54.78 3h4s s ASP 1213Cb -0.14 -2.28 0.77 0.00 -1.45 0.00 0.00 42.92 39.82 3h4s s ASP 1213CO 0.20 -0.66 1.80 -0.65 0.13 0.00 0.00 175.17 175.98 3h4s h PRO 1214N 8.75 0.72 0.00 4.34 0.11 -1.88 -0.96 132.00 143.08 3h4s h PRO 1214Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3h4s h PRO 1214Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h4s h PRO 1214CO 0.84 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.98 3h4s n SER 1215N -4.70 0.31 -4.44 -2.05 3.41 -1.26 -4.52 113.62 100.36 3h4s n SER 1215Ca 0.22 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.93 3h4s n SER 1215Cb 0.56 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 3h4s n SER 1215CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h4s s LYS 1216N -3.05 3.12 0.30 4.33 -0.14 -0.37 -5.02 119.74 118.90 3h4s s LYS 1216Ca 0.12 -0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 53.57 3h4s s LYS 1216Cb 0.15 -4.21 -0.10 0.00 -1.68 0.00 0.00 37.83 32.00 3h4s s LYS 1216CO 0.51 -1.67 0.92 -1.58 -0.76 0.00 0.00 175.35 172.78 3h4s s HIS 1217N 3.60 3.74 0.29 3.18 5.65 -1.26 -4.85 115.29 125.63 3h4s s HIS 1217Ca 0.20 1.76 -0.30 0.00 0.25 0.00 0.00 55.06 56.97 3h4s s HIS 1217Cb -0.18 -2.90 -0.12 0.00 -1.18 0.00 0.00 32.58 28.19 3h4s s HIS 1217CO 0.10 0.27 1.47 1.51 -0.65 0.00 0.00 174.74 177.44 3h4s n ILE 1218N 0.73 1.24 -1.80 0.89 3.06 -1.26 -4.96 119.36 117.26 3h4s n ILE 1218Ca 0.01 -0.31 -0.29 0.00 -2.50 0.00 0.00 62.75 59.66 3h4s n ILE 1218Cb 0.50 -1.73 0.09 0.00 0.54 0.00 0.00 39.64 39.03 3h4s n ILE 1218CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3h4s s SER 1219N 0.24 4.55 0.13 9.51 1.04 -1.26 -4.93 113.70 122.99 3h4s s SER 1219Ca 0.63 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.87 3h4s s SER 1219Cb -0.56 -1.54 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 3h4s s SER 1219CO 0.52 -1.89 1.55 0.28 0.98 0.00 0.00 173.24 174.68 3h4s h SER 1220N -1.04 0.83 0.59 7.02 0.02 -2.00 -2.53 113.55 116.44 3h4s h SER 1220Ca -0.47 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3h4s h SER 1220Cb 1.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3h4s h SER 1220CO 0.64 0.99 0.00 2.29 -1.14 0.00 0.00 176.83 179.62 3h4s n LYS 1221N -4.30 0.32 0.02 3.45 2.85 -1.26 -2.12 118.16 117.12 3h4s n LYS 1221Ca -0.01 0.03 -0.06 0.00 -1.05 0.00 0.00 58.31 57.22 3h4s n LYS 1221Cb 0.37 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.13 3h4s n LYS 1221CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3h4s h GLU 1222N 0.00 0.00 0.00 -1.58 5.08 -1.89 -2.72 114.58 113.47 3h4s h GLU 1222Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3h4s h GLU 1222Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3h4s h GLU 1222CO 0.00 0.64 -0.55 0.52 -1.00 0.00 0.00 179.01 178.62 3h4s h MET 1223N 0.00 0.00 -0.05 2.33 2.86 -1.00 0.09 114.93 119.15 3h4s h MET 1223Ca -0.16 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 3h4s h MET 1223Cb 1.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 3h4s h MET 1223CO 0.09 0.55 -0.23 0.28 1.06 0.00 0.00 176.91 178.66 3h4s h VAL 1224N 0.00 1.46 -0.59 -2.22 2.07 -1.43 0.06 116.25 115.60 3h4s h VAL 1224Ca -0.01 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 3h4s h VAL 1224Cb 1.13 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 3h4s h VAL 1224CO 0.07 0.47 0.19 -0.09 0.02 0.00 0.00 177.57 178.23 3h4s h ARG 1225N -0.30 0.91 -0.56 1.57 2.43 -1.46 -1.93 114.38 115.05 3h4s h ARG 1225Ca -0.02 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3h4s h ARG 1225Cb 0.89 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 3h4s h ARG 1225CO 0.05 0.82 0.34 1.25 -1.51 0.00 0.00 179.97 180.91 3h4s h LEU 1226N 0.83 0.55 -0.85 3.80 5.85 -0.91 -0.88 115.31 123.70 3h4s h LEU 1226Ca 0.19 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3h4s h LEU 1226Cb 0.28 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3h4s h LEU 1226CO -0.01 0.39 0.53 0.50 -0.34 0.00 0.00 178.44 179.51 3h4s h LYS 1227N 0.67 0.94 -0.06 1.25 3.64 -0.61 0.36 116.57 122.77 3h4s h LYS 1227Ca 0.22 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3h4s h LYS 1227Cb 0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3h4s h LYS 1227CO -0.10 0.62 -0.41 0.87 -2.27 0.00 0.00 179.45 178.17 3h4s h LYS 1228N 0.97 0.12 -0.18 1.90 1.57 -0.50 -1.11 116.57 119.33 3h4s h LYS 1228Ca 0.37 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.92 3h4s h LYS 1228Cb 0.17 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h4s h LYS 1228CO -0.17 0.51 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.57 3h4s h LEU 1229N 0.10 0.82 -0.29 2.94 3.38 -0.16 -2.68 115.31 119.43 3h4s h LEU 1229Ca 0.01 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.31 3h4s h LEU 1229Cb 0.77 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h4s h LEU 1229CO 0.06 1.28 -0.10 0.58 0.09 0.00 0.00 178.44 180.34 3h4s h VAL 1230N 0.42 1.29 -0.13 1.22 2.07 -0.89 -0.09 116.25 120.14 3h4s h VAL 1230Ca -0.02 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3h4s h VAL 1230Cb 1.20 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3h4s h VAL 1230CO 0.12 0.37 -0.35 0.00 0.02 0.00 0.00 177.57 177.73 3h4s h ALA 1231N 0.77 -0.44 -0.17 1.67 0.00 -1.22 0.25 119.26 120.11 3h4s h ALA 1231Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3h4s h ALA 1231Cb 0.61 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3h4s h ALA 1231CO 0.04 -0.84 -0.18 -0.92 0.00 0.00 0.00 179.25 177.34 3h4s h TYR 1232N -0.43 0.31 0.25 0.00 3.20 -1.46 -2.29 116.97 116.54 3h4s h TYR 1232Ca 0.09 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3h4s h TYR 1232Cb 0.58 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3h4s h TYR 1232CO -0.43 0.46 -0.12 2.35 -1.64 0.00 0.00 178.16 178.78 3h4s h TRP 1233N 0.27 -0.31 -0.24 -3.82 7.01 0.63 -1.78 115.95 117.71 3h4s h TRP 1233Ca 0.05 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.09 3h4s h TRP 1233Cb 0.48 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 3h4s h TRP 1233CO 0.01 -0.14 -0.04 -0.22 -2.79 0.00 0.00 178.44 175.26 3h4s h LYS 1234N -0.41 0.03 -0.20 2.65 3.64 -0.27 -0.11 116.57 121.90 3h4s h LYS 1234Ca -0.03 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3h4s h LYS 1234Cb 0.31 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3h4s h LYS 1234CO 0.06 0.02 -0.16 1.49 -2.27 0.00 0.00 179.45 178.58 3h4s h GLU 1235N 0.03 -0.16 0.61 1.90 4.81 -1.36 0.79 114.58 121.19 3h4s h GLU 1235Ca 0.11 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3h4s h GLU 1235Cb 0.17 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3h4s h GLU 1235CO -0.23 -0.11 -0.29 1.96 -0.73 0.00 0.00 179.01 179.61 3h4s h GLN 1236N -0.17 -0.78 -0.91 1.92 1.08 -0.98 -0.55 115.11 114.71 3h4s h GLN 1236Ca 0.12 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.50 3h4s h GLN 1236Cb 0.35 0.18 -0.14 0.00 -0.05 0.00 0.00 27.48 27.82 3h4s h GLN 1236CO -0.30 -0.52 -0.41 0.00 -0.95 0.00 0.00 178.83 176.64 3h4s n ALA 1237N -2.49 -0.25 -0.21 3.87 0.00 -0.08 -0.44 120.51 120.90 3h4s n ALA 1237Ca -0.10 0.87 -0.08 0.00 0.00 0.00 0.00 53.44 54.13 3h4s n ALA 1237Cb 0.32 -0.32 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3h4s n ALA 1237CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h4s h GLY 1238N 0.00 1.00 0.17 0.00 0.00 -0.85 -2.65 103.07 100.74 3h4s h GLY 1238Ca 0.27 -0.62 0.21 0.00 0.00 0.00 0.00 47.33 47.19 3h4s h GLY 1238CO -0.89 0.57 0.71 1.70 0.00 0.00 0.00 176.54 178.64 3h4s h LYS 1239N 0.84 0.00 0.71 4.80 3.64 0.94 0.25 116.57 127.75 3h4s h LYS 1239Ca 0.19 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3h4s h LYS 1239Cb 0.33 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3h4s h LYS 1239CO -0.00 0.00 -0.34 0.87 -2.27 0.00 0.00 179.45 177.71 3h4s h LYS 1240N 0.00 -0.91 0.00 1.90 1.79 -1.17 -2.75 116.57 115.43 3h4s h LYS 1240Ca 0.34 0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3h4s h LYS 1240Cb 1.77 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 32.62 3h4s h LYS 1240CO -0.00 -0.58 -0.00 0.78 -1.08 0.00 0.00 179.45 178.56 3h4s h GLY 1241N -1.16 0.00 1.18 3.86 0.00 -0.68 -0.53 103.07 105.74 3h4s h GLY 1241Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3h4s h GLY 1241CO 0.16 0.00 -0.08 -2.21 0.00 0.00 0.00 176.54 174.41 3h4s n GLU 1242N -3.47 0.54 0.00 4.80 2.13 -0.38 -2.76 120.64 121.49 3h4s n GLU 1242Ca -0.03 -0.13 0.09 0.00 0.66 0.00 0.00 57.16 57.75 3h4s n GLU 1242Cb 0.08 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.26 3h4s n GLU 1242CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3h4s n GLU 1243N -1.12 1.41 -0.80 5.31 2.13 -0.22 -5.00 120.64 122.36 3h4s n GLU 1243Ca 0.14 -0.60 -0.33 0.00 0.66 0.00 0.00 57.16 57.02 3h4s n GLU 1243Cb 0.27 -1.35 0.12 0.00 0.27 0.00 0.00 31.44 30.75 3h4s n GLU 1243CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3h4s n GLU 1244N -0.51 -0.34 -2.43 5.31 2.13 -1.11 -4.94 120.64 118.75 3h4s n GLU 1244Ca 0.06 -0.06 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 3h4s n GLU 1244Cb 0.35 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.25 3h4s n GLU 1244CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3h4s s ASP 1245N -1.94 6.10 0.63 4.31 1.01 -1.26 -5.01 116.67 120.50 3h4s s ASP 1245Ca 0.56 2.03 -0.16 0.00 0.71 0.00 0.00 52.55 55.69 3h4s s ASP 1245Cb -0.20 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3h4s s ASP 1245CO 0.68 -0.95 1.11 -0.76 0.21 0.00 0.00 175.17 175.46 3h4s s LEU 1246N -3.60 3.47 0.22 1.23 1.43 -1.26 -5.06 118.68 115.11 3h4s s LEU 1246Ca 0.69 2.01 0.11 0.00 -1.03 0.00 0.00 54.13 55.92 3h4s s LEU 1246Cb -0.19 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 3h4s s LEU 1246CO 0.23 -1.50 -0.23 -0.69 0.23 0.00 0.00 176.35 174.40 3h4s s VAL 1247N -2.25 2.37 0.82 -1.59 1.01 -1.26 -5.14 120.40 114.36 3h4s s VAL 1247Ca 0.68 -2.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.40 3h4s s VAL 1247Cb -0.20 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.09 3h4s s VAL 1247CO 0.38 -0.21 1.10 -1.81 0.00 0.00 0.00 175.10 174.56 3h4s s ASP 1248N -2.93 3.99 0.13 3.32 1.01 -1.26 -4.95 116.67 115.98 3h4s s ASP 1248Ca 0.23 1.88 -0.31 0.00 0.71 0.00 0.00 52.55 55.07 3h4s s ASP 1248Cb -0.07 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 3h4s s ASP 1248CO 0.11 -2.37 1.29 -0.63 0.21 0.00 0.00 175.17 173.78 3h4s s ILE 1249N -2.84 3.50 -0.09 0.77 -1.09 -1.26 -4.96 121.20 115.23 3h4s s ILE 1249Ca 0.63 1.14 -0.24 0.00 -2.23 0.00 0.00 60.65 59.95 3h4s s ILE 1249Cb -0.19 -3.73 -0.20 0.00 -1.58 0.00 0.00 42.46 36.77 3h4s s ILE 1249CO 0.57 0.12 0.81 -0.08 -1.23 0.00 0.00 174.94 175.13 3h4s h GLU 1250N 6.20 -0.05 0.00 2.79 4.57 -2.08 -3.48 114.58 122.53 3h4s h GLU 1250Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3h4s h GLU 1250Cb 1.21 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3h4s h GLU 1250CO 0.81 0.61 0.00 0.39 -1.18 0.00 0.00 179.01 179.64 3h4s n GLU 1251N -4.75 -0.48 -4.00 1.92 1.02 -1.26 -4.98 120.64 108.10 3h4s n GLU 1251Ca -0.08 0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 3h4s n GLU 1251Cb 0.34 -3.57 -0.15 0.00 -0.02 0.00 0.00 31.44 28.04 3h4s n GLU 1251CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h4s s ASP 1252N -2.22 4.14 -0.06 1.62 2.15 -1.26 -5.01 116.67 116.03 3h4s s ASP 1252Ca 0.00 -0.90 0.13 0.00 0.43 0.00 0.00 52.55 52.21 3h4s s ASP 1252Cb 0.00 -1.62 0.40 0.00 -0.30 0.00 0.00 42.92 41.40 3h4s s ASP 1252CO 0.00 -0.11 1.33 -2.11 -0.17 0.00 0.00 175.17 174.11 3h4s n ARG 1253N 4.63 2.94 -1.60 4.34 -4.01 -1.26 -4.97 116.66 116.74 3h4s n ARG 1253Ca -0.17 -2.34 -0.44 0.00 -1.04 0.00 0.00 57.85 53.86 3h4s n ARG 1253Cb 0.47 -1.47 -0.04 0.00 -3.04 0.00 0.00 32.46 28.38 3h4s n ARG 1253CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 3h4s n THR 1254N 0.29 0.41 -0.13 8.89 -2.24 -1.26 -5.30 114.28 114.95 3h4s n THR 1254Ca 0.15 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3h4s n THR 1254Cb 0.59 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 3h4s n THR 1254CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04