#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npe s THR 914 N 0.00 5.33 0.19 2.61 -4.23 -1.26 -4.03 115.64 114.24 1npe s THR 914 Ca 0.00 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 1npe s THR 914 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1npe s THR 914 CO 0.00 0.55 -0.16 -1.00 -0.54 0.00 0.00 174.62 173.47 1npe s HIS 915 N -0.48 1.75 -0.11 3.99 0.09 -0.47 -1.43 115.29 118.62 1npe s HIS 915 Ca 0.12 -0.53 -0.05 0.00 -0.00 0.00 0.00 55.06 54.60 1npe s HIS 915 Cb -0.12 -0.84 -0.04 0.00 -0.00 0.00 0.00 32.58 31.59 1npe s HIS 915 CO 0.02 0.35 0.08 -0.51 -0.00 0.00 0.00 174.74 174.68 1npe s LEU 916 N -3.05 4.04 -0.05 0.89 1.43 0.11 0.15 118.68 122.19 1npe s LEU 916 Ca 0.20 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1npe s LEU 916 Cb -0.03 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1npe s LEU 916 CO 0.07 0.38 -0.09 -0.76 0.23 0.00 0.00 176.35 176.18 1npe s LEU 917 N -0.85 1.57 0.06 1.79 1.43 -0.08 -1.37 118.68 121.22 1npe s LEU 917 Ca 0.13 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1npe s LEU 917 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1npe s LEU 917 CO 0.03 0.01 -0.05 0.72 0.23 0.00 0.00 176.35 177.29 1npe s PHE 918 N 0.64 0.63 0.01 0.29 -0.71 -0.74 -0.76 117.98 117.34 1npe s PHE 918 Ca -0.11 -0.82 -0.01 0.00 -1.04 0.00 0.00 56.93 54.95 1npe s PHE 918 Cb -0.14 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1npe s PHE 918 CO 0.02 -0.22 0.16 0.00 -1.34 0.00 0.00 175.22 173.84 1npe s ALA 919 N -2.92 3.85 0.18 1.99 0.00 0.17 -0.06 121.76 124.97 1npe s ALA 919 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1npe s ALA 919 Cb 0.01 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1npe s ALA 919 CO -0.05 0.75 0.20 -0.65 0.00 0.00 0.00 175.76 176.02 1npe s GLN 920 N -2.05 1.17 0.04 0.00 -0.21 -0.89 0.49 119.66 118.21 1npe s GLN 920 Ca 0.28 -1.40 -0.30 0.00 0.02 0.00 0.00 55.36 53.96 1npe s GLN 920 Cb -0.13 0.32 -0.08 0.00 1.00 0.00 0.00 33.01 34.13 1npe s GLN 920 CO 0.20 -0.40 1.68 0.99 -2.12 0.00 0.00 175.29 175.63 1npe s THR 921 N -4.06 3.15 0.00 -0.19 2.01 -1.26 -2.46 115.64 112.84 1npe s THR 921 Ca 0.27 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1npe s THR 921 Cb 0.05 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1npe s THR 921 CO 0.06 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1npe n GLY 922 N 4.06 0.57 3.74 4.40 0.00 0.12 -4.99 105.19 113.09 1npe n GLY 922 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1npe n GLY 922 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1npe s LYS 923 N -0.08 1.08 -0.09 1.61 -2.85 -1.03 -1.52 119.74 116.85 1npe s LYS 923 Ca 0.00 -0.60 -0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1npe s LYS 923 Cb 0.00 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1npe s LYS 923 CO 0.00 -0.49 -0.07 0.42 0.10 0.00 0.00 175.35 175.31 1npe s ILE 924 N -3.07 0.90 0.30 3.79 1.01 -0.66 -2.10 121.20 121.36 1npe s ILE 924 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1npe s ILE 924 Cb -0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1npe s ILE 924 CO 0.02 0.34 0.57 -0.70 0.00 0.00 0.00 174.94 175.16 1npe s GLU 925 N 1.51 3.63 -0.02 2.79 2.56 0.92 -0.85 118.70 129.24 1npe s GLU 925 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.97 55.00 1npe s GLU 925 Cb -0.13 -2.63 0.01 0.00 2.00 0.00 0.00 34.13 33.38 1npe s GLU 925 CO -0.05 0.19 -0.02 0.50 -0.56 0.00 0.00 175.26 175.32 1npe s ARG 926 N -3.62 0.37 -0.13 4.30 3.52 -0.40 -1.80 118.95 121.19 1npe s ARG 926 Ca 0.44 -0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.89 1npe s ARG 926 Cb -0.11 -0.44 0.04 0.00 -1.56 0.00 0.00 34.95 32.89 1npe s ARG 926 CO 0.31 -0.02 0.34 -0.48 -0.81 0.00 0.00 175.30 174.63 1npe s LEU 927 N 0.45 0.46 0.61 -0.88 2.34 -0.47 -1.13 118.68 120.07 1npe s LEU 927 Ca -0.05 0.70 -0.19 0.00 0.06 0.00 0.00 54.13 54.66 1npe s LEU 927 Cb -0.08 1.13 -0.02 0.00 -0.56 0.00 0.00 46.19 46.66 1npe s LEU 927 CO -0.01 -0.14 1.27 -2.84 -1.06 0.00 0.00 176.35 173.57 1npe s PRO 928 N 0.66 2.78 -0.34 1.48 0.02 -1.26 0.05 135.00 138.38 1npe s PRO 928 Ca -0.04 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.01 1npe s PRO 928 Cb -0.05 -1.93 0.10 0.00 0.02 0.00 0.00 34.50 32.64 1npe s PRO 928 CO -0.04 -1.41 0.08 -0.51 -0.33 0.00 0.00 177.00 174.79 1npe s LEU 929 N -4.15 3.63 -0.45 -5.54 1.43 -0.52 -1.49 118.68 111.60 1npe s LEU 929 Ca 0.79 -1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 1npe s LEU 929 Cb -0.36 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 44.66 1npe s LEU 929 CO 0.38 -0.39 0.32 -1.61 0.23 0.00 0.00 176.35 175.29 1npe s GLU 930 N 1.14 2.71 -0.76 1.70 2.02 -0.69 -4.44 118.70 120.38 1npe s GLU 930 Ca 0.11 -1.49 -0.00 0.00 0.02 0.00 0.00 54.97 53.61 1npe s GLU 930 Cb -0.19 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.12 1npe s GLU 930 CO -0.15 -1.03 0.67 0.54 0.02 0.00 0.00 175.26 175.32 1npe n ARG 931 N 5.01 -1.39 -1.72 1.61 5.12 -1.26 -2.89 116.66 121.14 1npe n ARG 931 Ca -0.11 1.29 -0.16 0.00 -1.93 0.00 0.00 57.85 56.94 1npe n ARG 931 Cb 0.43 -4.74 -0.05 0.00 -1.16 0.00 0.00 32.46 26.93 1npe n ARG 931 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1npe n ASN 932 N -2.01 -4.39 -4.11 0.55 5.03 -1.26 -4.96 115.26 104.11 1npe n ASN 932 Ca -0.09 0.32 -0.26 0.00 0.87 0.00 0.00 54.58 55.42 1npe n ASN 932 Cb 0.56 -3.90 -0.16 0.00 -1.02 0.00 0.00 39.78 35.25 1npe n ASN 932 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1npe s THR 933 N -2.48 1.39 -0.14 3.41 2.01 -1.14 -5.09 115.64 113.60 1npe s THR 933 Ca 0.00 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 1npe s THR 933 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1npe s THR 933 CO 0.00 0.41 0.85 -0.04 -0.69 0.00 0.00 174.62 175.14 1npe s MET 934 N 0.25 4.35 -1.24 4.92 -1.94 -1.26 -1.70 119.30 122.68 1npe s MET 934 Ca -0.08 1.07 -0.14 0.00 -1.71 0.00 0.00 55.69 54.83 1npe s MET 934 Cb -0.13 -3.55 0.15 0.00 2.01 0.00 0.00 34.83 33.31 1npe s MET 934 CO 0.03 -0.26 1.57 1.63 -0.01 0.00 0.00 175.02 177.99 1npe n LYS 935 N 4.92 3.36 -0.34 2.03 4.76 -0.55 -4.84 118.16 127.50 1npe n LYS 935 Ca 0.04 -3.68 0.09 0.00 -2.87 0.00 0.00 58.31 51.90 1npe n LYS 935 Cb 0.49 -3.11 0.29 0.00 -1.84 0.00 0.00 35.03 30.86 1npe n LYS 935 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1npe h LYS 936 N 6.98 0.85 0.00 1.97 1.57 -1.93 -1.66 116.57 124.35 1npe h LYS 936 Ca 0.36 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1npe h LYS 936 Cb 0.83 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1npe h LYS 936 CO 1.35 0.57 0.00 1.79 -0.57 0.00 0.00 179.45 182.59 1npe h THR 937 N 0.88 0.00 -0.48 -0.16 1.35 -2.00 -2.95 112.91 109.56 1npe h THR 937 Ca 0.50 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1npe h THR 937 Cb 0.62 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1npe h THR 937 CO -0.27 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.38 1npe n GLU 938 N -2.50 2.49 -2.02 4.72 1.02 -0.63 -4.95 120.64 118.78 1npe n GLU 938 Ca 0.02 -2.28 -0.43 0.00 -0.02 0.00 0.00 57.16 54.46 1npe n GLU 938 Cb 0.27 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1npe n GLU 938 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1npe s ALA 939 N -1.38 3.42 0.11 0.62 0.00 -1.12 -4.70 121.76 118.72 1npe s ALA 939 Ca 0.41 0.74 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1npe s ALA 939 Cb 0.23 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1npe s ALA 939 CO 0.31 -1.71 -0.09 -1.59 0.00 0.00 0.00 175.76 172.69 1npe s LYS 940 N 4.44 0.89 0.20 0.00 -2.85 -0.29 -4.98 119.74 117.16 1npe s LYS 940 Ca 0.74 -1.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1npe s LYS 940 Cb -0.30 -0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 34.94 1npe s LYS 940 CO 0.30 0.05 1.42 0.00 0.10 0.00 0.00 175.35 177.21 1npe s ALA 941 N -3.02 3.62 -0.08 0.59 0.00 -1.26 -1.28 121.76 120.33 1npe s ALA 941 Ca 0.10 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1npe s ALA 941 Cb 0.01 -3.54 -0.29 0.00 0.00 0.00 0.00 23.12 19.30 1npe s ALA 941 CO -0.01 -0.67 0.68 0.35 0.00 0.00 0.00 175.76 176.11 1npe h PHE 942 N 5.69 0.52 -2.29 0.00 3.57 -1.27 -3.45 116.94 119.70 1npe h PHE 942 Ca -0.44 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 60.60 1npe h PHE 942 Cb 1.21 -0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.72 1npe h PHE 942 CO 0.62 1.50 0.01 -1.17 -2.23 0.00 0.00 178.31 177.04 1npe s LEU 943 N -7.62 -0.27 -0.22 0.59 2.96 -1.09 -5.01 118.68 108.01 1npe s LEU 943 Ca -0.17 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1npe s LEU 943 Cb 0.03 2.09 -0.00 0.00 0.50 0.00 0.00 46.19 48.82 1npe s LEU 943 CO 0.80 -0.31 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.46 1npe s HIS 944 N -0.15 2.96 -0.54 5.38 3.76 -1.26 -1.66 115.29 123.79 1npe s HIS 944 Ca -0.04 -1.08 0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1npe s HIS 944 Cb -0.03 -2.09 0.20 0.00 1.11 0.00 0.00 32.58 31.77 1npe s HIS 944 CO 0.03 -0.60 0.50 -0.89 -0.85 0.00 0.00 174.74 172.94 1npe n ILE 945 N 4.77 0.42 -0.32 0.60 -0.00 -0.57 -4.99 119.36 119.27 1npe n ILE 945 Ca -0.18 -4.32 0.28 0.00 -0.00 0.00 0.00 62.75 58.53 1npe n ILE 945 Cb 0.50 -1.96 0.53 0.00 -0.00 0.00 0.00 39.64 38.71 1npe n ILE 945 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1npe h PRO 946 N 4.93 0.06 0.00 0.38 0.13 -1.95 -1.00 132.00 134.54 1npe h PRO 946 Ca 0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1npe h PRO 946 Cb 0.81 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1npe h PRO 946 CO 0.58 0.04 -0.04 0.00 -0.23 0.00 0.00 178.00 178.35 1npe n ALA 947 N -2.38 2.39 -2.91 -0.56 0.00 -1.26 -4.59 120.51 111.20 1npe n ALA 947 Ca 0.35 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1npe n ALA 947 Cb 1.16 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1npe n ALA 947 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1npe s LYS 948 N -3.02 3.27 -0.51 0.00 1.02 -0.38 -4.85 119.74 115.25 1npe s LYS 948 Ca 0.13 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.35 1npe s LYS 948 Cb 0.17 -2.81 0.13 0.00 -0.52 0.00 0.00 37.83 34.80 1npe s LYS 948 CO 0.56 0.46 0.27 0.08 -0.92 0.00 0.00 175.35 175.79 1npe s VAL 949 N -1.92 2.81 0.05 3.17 1.01 -1.26 0.11 120.40 124.38 1npe s VAL 949 Ca 0.33 -3.08 -0.31 0.00 0.00 0.00 0.00 61.98 58.93 1npe s VAL 949 Cb -0.09 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1npe s VAL 949 CO 0.27 -0.79 1.39 -0.63 0.00 0.00 0.00 175.10 175.35 1npe s ILE 950 N -0.04 3.55 0.00 2.22 -1.09 -1.26 -2.63 121.20 121.97 1npe s ILE 950 Ca 0.16 1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 59.59 1npe s ILE 950 Cb -0.24 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1npe s ILE 950 CO -0.02 0.04 -0.05 -0.38 -1.23 0.00 0.00 174.94 173.30 1npe n ILE 951 N 4.33 0.60 -3.50 2.92 2.08 0.02 -4.38 119.36 121.43 1npe n ILE 951 Ca 0.12 0.24 -0.33 0.00 0.56 0.00 0.00 62.75 63.33 1npe n ILE 951 Cb 0.43 -1.47 -0.05 0.00 -0.75 0.00 0.00 39.64 37.80 1npe n ILE 951 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1npe s GLY 952 N -3.59 2.33 0.03 7.39 0.00 -1.24 0.10 107.32 112.34 1npe s GLY 952 Ca -0.04 -0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.37 1npe s GLY 952 CO 0.06 -0.14 -0.06 1.08 0.00 0.00 0.00 173.10 174.04 1npe s LEU 953 N -2.31 2.18 0.15 0.66 1.43 -1.26 -1.70 118.68 117.82 1npe s LEU 953 Ca 0.40 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1npe s LEU 953 Cb -0.13 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 45.93 1npe s LEU 953 CO 0.20 -0.13 0.35 0.00 0.23 0.00 0.00 176.35 177.01 1npe s ALA 954 N -0.98 -0.50 -0.04 4.21 0.00 -0.19 -4.70 121.76 119.56 1npe s ALA 954 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1npe s ALA 954 Cb -0.07 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1npe s ALA 954 CO 0.00 -0.66 -0.01 0.12 0.00 0.00 0.00 175.76 175.21 1npe s PHE 955 N -3.88 0.47 -0.48 0.00 5.36 -1.26 -0.62 117.98 117.57 1npe s PHE 955 Ca 0.09 -0.07 -0.21 0.00 -0.96 0.00 0.00 56.93 55.78 1npe s PHE 955 Cb 0.02 -0.53 0.04 0.00 -0.34 0.00 0.00 43.02 42.21 1npe s PHE 955 CO -0.06 -0.17 0.72 0.34 -1.46 0.00 0.00 175.22 174.58 1npe s ASP 956 N 1.15 6.32 0.54 6.13 2.15 0.54 -4.94 116.67 128.54 1npe s ASP 956 Ca -0.08 -0.45 0.30 0.00 0.43 0.00 0.00 52.55 52.76 1npe s ASP 956 Cb -0.14 -2.34 1.49 0.00 -0.30 0.00 0.00 42.92 41.63 1npe s ASP 956 CO -0.02 -0.91 2.06 0.00 -0.17 0.00 0.00 175.17 176.13 1npe h VAL 958 N 0.00 1.42 -0.02 0.00 -1.51 -1.92 -3.37 116.25 110.85 1npe h VAL 958 Ca -0.00 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1npe h VAL 958 Cb 0.38 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 1npe h VAL 958 CO 0.01 0.73 -0.23 0.47 -1.23 0.00 0.00 177.57 177.32 1npe n ASP 959 N -3.99 2.23 -3.30 4.19 8.00 -1.22 -5.00 116.55 117.45 1npe n ASP 959 Ca -0.14 -1.61 -0.16 0.00 0.71 0.00 0.00 54.79 53.59 1npe n ASP 959 Cb 0.90 0.27 0.08 0.00 -0.02 0.00 0.00 41.12 42.35 1npe n ASP 959 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1npe n LYS 960 N 0.47 -4.00 -5.22 -1.24 4.76 0.08 -4.83 118.16 108.18 1npe n LYS 960 Ca 0.10 0.85 -0.31 0.00 -2.87 0.00 0.00 58.31 56.08 1npe n LYS 960 Cb 0.46 -5.82 -0.17 0.00 -1.84 0.00 0.00 35.03 27.66 1npe n LYS 960 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1npe s VAL 961 N -3.37 2.00 -0.14 -0.18 1.01 -0.97 -1.18 120.40 117.55 1npe s VAL 961 Ca 0.27 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1npe s VAL 961 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1npe s VAL 961 CO 0.73 0.55 0.46 -0.69 0.00 0.00 0.00 175.10 176.15 1npe s VAL 962 N -0.04 5.19 0.10 2.92 1.01 -0.32 -0.34 120.40 128.91 1npe s VAL 962 Ca -0.07 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.87 1npe s VAL 962 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1npe s VAL 962 CO 0.05 0.30 -0.07 -0.31 0.00 0.00 0.00 175.10 175.07 1npe s TYR 963 N 0.85 2.82 0.15 5.22 1.51 0.21 -1.84 117.35 126.28 1npe s TYR 963 Ca 0.24 -0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 56.06 1npe s TYR 963 Cb -0.15 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1npe s TYR 963 CO 0.09 0.44 0.37 1.67 -1.11 0.00 0.00 175.55 177.01 1npe s TRP 964 N -1.24 0.08 0.02 2.71 -2.14 -0.42 -1.02 118.94 116.92 1npe s TRP 964 Ca 0.23 -0.44 0.09 0.00 2.66 0.00 0.00 56.10 58.63 1npe s TRP 964 Cb -0.11 0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.38 1npe s TRP 964 CO 0.15 -0.75 -0.26 0.95 -2.66 0.00 0.00 176.95 174.38 1npe s THR 965 N -3.89 2.08 -0.13 0.66 -4.23 -0.69 -1.40 115.64 108.05 1npe s THR 965 Ca 0.10 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1npe s THR 965 Cb 0.02 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 72.12 1npe s THR 965 CO -0.05 0.45 -0.14 -0.62 -0.54 0.00 0.00 174.62 173.72 1npe s ASP 966 N -0.98 2.52 0.00 3.99 3.68 0.27 -0.80 116.67 125.35 1npe s ASP 966 Ca 0.11 -0.44 0.27 0.00 2.13 0.00 0.00 52.55 54.62 1npe s ASP 966 Cb -0.10 -1.10 0.88 0.00 -1.45 0.00 0.00 42.92 41.15 1npe s ASP 966 CO 0.01 -0.03 1.64 2.30 0.13 0.00 0.00 175.17 179.22 1npe n ILE 967 N 4.54 0.00 -0.01 4.11 -5.35 -1.08 -0.01 119.36 121.57 1npe n ILE 967 Ca -0.17 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 1npe n ILE 967 Cb 0.51 0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 38.64 1npe n ILE 967 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1npe h SER 968 N 1.22 -0.08 0.28 7.28 0.87 -1.91 -3.40 113.55 117.81 1npe h SER 968 Ca 0.00 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1npe h SER 968 Cb 0.48 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1npe h SER 968 CO 0.00 0.61 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.69 1npe h GLU 969 N -0.93 -0.37 -7.03 2.24 4.81 -1.89 -3.48 114.58 107.93 1npe h GLU 969 Ca -0.01 0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.80 1npe h GLU 969 Cb 0.55 0.08 0.06 0.00 0.63 0.00 0.00 28.75 30.08 1npe h GLU 969 CO 0.02 -0.07 0.07 -1.25 -0.73 0.00 0.00 179.01 177.04 1npe s PRO 970 N -4.94 2.22 0.12 0.92 0.04 -1.26 -5.15 135.00 126.94 1npe s PRO 970 Ca -0.15 -0.74 -0.26 0.00 0.04 0.00 0.00 61.00 59.90 1npe s PRO 970 Cb 0.03 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.28 1npe s PRO 970 CO 0.58 -1.04 1.04 -1.54 0.04 0.00 0.00 177.00 176.07 1npe s SER 971 N -4.53 -0.14 -0.08 6.66 1.04 0.99 -4.65 113.70 112.99 1npe s SER 971 Ca 0.60 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.69 1npe s SER 971 Cb -0.09 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1npe s SER 971 CO 0.42 -0.77 -0.12 -0.63 0.98 0.00 0.00 173.24 173.12 1npe s ILE 972 N -3.04 1.15 0.35 -1.02 1.01 -0.76 0.94 121.20 119.83 1npe s ILE 972 Ca 0.13 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1npe s ILE 972 Cb -0.00 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1npe s ILE 972 CO 0.01 0.37 0.23 -0.83 0.00 0.00 0.00 174.94 174.72 1npe s GLY 973 N 0.89 2.42 0.09 6.18 0.00 -0.49 -0.86 107.32 115.55 1npe s GLY 973 Ca -0.10 -1.80 -0.20 0.00 0.00 0.00 0.00 44.72 42.61 1npe s GLY 973 CO 0.01 -1.58 0.48 1.09 0.00 0.00 0.00 173.10 173.11 1npe s ARG 974 N -3.53 1.07 -0.21 2.90 1.70 0.03 -1.31 118.95 119.60 1npe s ARG 974 Ca 0.35 -0.42 -0.25 0.00 -0.47 0.00 0.00 55.73 54.94 1npe s ARG 974 Cb 0.02 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 34.95 1npe s ARG 974 CO 0.24 -0.41 0.67 0.00 -1.08 0.00 0.00 175.30 174.72 1npe s ALA 975 N -3.05 -1.68 0.51 7.88 0.00 -0.76 -1.15 121.76 123.51 1npe s ALA 975 Ca -0.02 1.76 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1npe s ALA 975 Cb 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1npe s ALA 975 CO -0.07 -0.33 1.27 -1.12 0.00 0.00 0.00 175.76 175.52 1npe s SER 976 N 0.01 5.61 0.25 0.00 0.01 -1.26 -1.18 113.70 117.15 1npe s SER 976 Ca -0.02 2.56 -0.02 0.00 1.31 0.00 0.00 55.95 59.78 1npe s SER 976 Cb -0.04 -2.62 0.30 0.00 0.21 0.00 0.00 66.02 63.87 1npe s SER 976 CO 0.03 -1.32 1.70 0.25 0.41 0.00 0.00 173.24 174.31 1npe h LEU 977 N 1.66 0.69 -8.05 2.44 5.85 -1.47 -3.35 115.31 113.08 1npe h LEU 977 Ca -0.50 -0.21 -0.69 0.00 0.84 0.00 0.00 57.88 57.31 1npe h LEU 977 Cb 1.28 -0.19 -0.18 0.00 0.37 0.00 0.00 40.66 41.94 1npe h LEU 977 CO 0.58 0.86 0.54 -1.00 -0.34 0.00 0.00 178.44 179.08 1npe s HIS 978 N -4.72 3.08 0.00 1.25 3.76 -1.26 -4.78 115.29 112.61 1npe s HIS 978 Ca -0.09 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1npe s HIS 978 Cb 0.14 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 29.65 1npe s HIS 978 CO 0.81 -1.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1npe n GLY 979 N 5.24 2.24 0.57 -2.22 0.00 -1.26 -4.98 105.19 104.78 1npe n GLY 979 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1npe n GLY 979 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npe n GLY 980 N 0.00 0.00 3.76 -0.02 0.00 -1.26 -4.87 105.19 102.81 1npe n GLY 980 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1npe n GLY 980 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1npe s GLU 981 N -0.27 4.49 0.20 1.61 2.56 -1.26 -4.62 118.70 121.41 1npe s GLU 981 Ca 0.00 1.06 -0.31 0.00 0.00 0.00 0.00 54.97 55.72 1npe s GLU 981 Cb 0.00 -3.32 -0.10 0.00 2.00 0.00 0.00 34.13 32.72 1npe s GLU 981 CO 0.00 0.42 1.48 -1.25 -0.56 0.00 0.00 175.26 175.35 1npe s PRO 982 N -0.54 4.26 -0.04 4.30 0.04 -1.26 -4.68 135.00 137.07 1npe s PRO 982 Ca 0.36 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.72 1npe s PRO 982 Cb -0.21 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1npe s PRO 982 CO 0.24 -0.49 -0.10 0.95 0.04 0.00 0.00 177.00 177.64 1npe s THR 983 N 0.55 0.92 -0.06 1.26 -4.23 -0.30 -5.00 115.64 108.79 1npe s THR 983 Ca 0.64 -0.40 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 1npe s THR 983 Cb -0.42 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1npe s THR 983 CO 0.37 0.29 0.67 -0.89 -0.54 0.00 0.00 174.62 174.52 1npe s THR 984 N 0.38 5.04 -0.18 3.99 2.01 -1.26 -0.79 115.64 124.83 1npe s THR 984 Ca -0.07 1.38 0.15 0.00 0.31 0.00 0.00 61.69 63.45 1npe s THR 984 Cb -0.11 -4.01 -0.21 0.00 0.01 0.00 0.00 72.50 68.18 1npe s THR 984 CO 0.01 0.28 0.04 2.30 -0.69 0.00 0.00 174.62 176.56 1npe n ILE 985 N 3.66 1.20 -4.08 1.82 -5.35 -0.04 -4.98 119.36 111.60 1npe n ILE 985 Ca -0.02 -0.72 -0.17 0.00 -0.27 0.00 0.00 62.75 61.57 1npe n ILE 985 Cb 0.51 -0.59 -0.15 0.00 -1.74 0.00 0.00 39.64 37.68 1npe n ILE 985 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1npe s ILE 986 N -2.42 0.34 0.00 7.28 1.01 -1.04 -4.69 121.20 121.68 1npe s ILE 986 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1npe s ILE 986 Cb 0.05 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1npe s ILE 986 CO 0.70 0.13 0.00 0.54 0.00 0.00 0.00 174.94 176.31 1npe n ARG 987 N 3.48 0.00 -1.49 2.79 1.74 -1.26 -1.82 116.66 120.09 1npe n ARG 987 Ca -0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.54 1npe n ARG 987 Cb 0.55 -0.37 0.09 0.00 -1.02 0.00 0.00 32.46 31.71 1npe n ARG 987 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1npe s GLN 988 N -1.70 2.22 -1.51 5.56 -1.52 -1.26 -3.89 119.66 117.56 1npe s GLN 988 Ca 0.00 1.78 -0.02 0.00 -1.95 0.00 0.00 55.36 55.17 1npe s GLN 988 Cb 0.00 -1.84 0.02 0.00 -0.22 0.00 0.00 33.01 30.97 1npe s GLN 988 CO 0.00 -1.78 0.06 -3.47 -0.25 0.00 0.00 175.29 169.85 1npe n ASP 989 N -2.60 0.64 -4.38 5.90 2.03 -1.26 -4.94 116.55 111.94 1npe n ASP 989 Ca 0.14 -1.22 -0.31 0.00 0.52 0.00 0.00 54.79 53.91 1npe n ASP 989 Cb 0.50 -1.52 -0.14 0.00 -0.72 0.00 0.00 41.12 39.24 1npe n ASP 989 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1npe s LEU 990 N -7.17 2.33 0.00 -2.67 1.43 -1.25 -5.09 118.68 106.27 1npe s LEU 990 Ca 0.08 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1npe s LEU 990 Cb -0.05 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1npe s LEU 990 CO 0.96 0.31 0.00 0.61 0.23 0.00 0.00 176.35 178.45 1npe n GLY 991 N 2.15 0.00 2.64 -3.19 0.00 -1.26 -4.84 105.19 100.69 1npe n GLY 991 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1npe n GLY 991 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1npe s SER 992 N -0.68 3.08 -0.12 1.61 0.15 -1.26 -4.75 113.70 111.73 1npe s SER 992 Ca 0.00 -3.40 -0.29 0.00 0.70 0.00 0.00 55.95 52.96 1npe s SER 992 Cb 0.00 -1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 1npe s SER 992 CO 0.00 -0.14 1.48 -2.16 1.20 0.00 0.00 173.24 173.63 1npe s PRO 993 N -0.61 4.15 0.00 5.44 0.04 -1.26 -2.35 135.00 140.42 1npe s PRO 993 Ca 0.28 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1npe s PRO 993 Cb -0.01 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1npe s PRO 993 CO -0.17 -0.85 0.37 0.39 0.04 0.00 0.00 177.00 176.78 1npe n GLU 994 N 6.99 -0.73 -3.68 4.56 1.02 -0.92 -4.43 120.64 123.44 1npe n GLU 994 Ca 0.16 -0.37 -0.14 0.00 -0.02 0.00 0.00 57.16 56.79 1npe n GLU 994 Cb 0.44 -0.87 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 1npe n GLU 994 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1npe s GLY 995 N -0.00 -0.39 -0.08 0.62 0.00 -1.23 -3.88 107.32 102.36 1npe s GLY 995 Ca 0.00 1.33 -0.05 0.00 0.00 0.00 0.00 44.72 46.00 1npe s GLY 995 CO 0.00 1.10 0.19 -1.50 0.00 0.00 0.00 173.10 172.89 1npe s ILE 996 N -0.11 -0.02 0.14 0.90 2.07 -1.26 -1.67 121.20 121.24 1npe s ILE 996 Ca -0.03 0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 1npe s ILE 996 Cb -0.03 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1npe s ILE 996 CO 0.02 0.04 -0.12 0.00 -1.91 0.00 0.00 174.94 172.98 1npe s ALA 997 N 0.71 1.45 0.23 1.50 0.00 0.29 -4.41 121.76 121.53 1npe s ALA 997 Ca -0.05 -1.40 0.09 0.00 0.00 0.00 0.00 51.96 50.60 1npe s ALA 997 Cb -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1npe s ALA 997 CO -0.04 -0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.03 1npe s LEU 998 N -2.86 2.57 -0.46 0.00 1.43 -1.26 0.02 118.68 118.11 1npe s LEU 998 Ca 0.13 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1npe s LEU 998 Cb -0.01 -0.82 0.12 0.00 0.03 0.00 0.00 46.19 45.51 1npe s LEU 998 CO 0.02 -0.10 0.19 -0.62 0.23 0.00 0.00 176.35 176.06 1npe s ASP 999 N -3.39 4.47 0.41 2.29 2.15 0.39 -4.66 116.67 118.34 1npe s ASP 999 Ca 0.25 -2.72 0.29 0.00 0.43 0.00 0.00 52.55 50.80 1npe s ASP 999 Cb -0.02 -1.64 1.28 0.00 -0.30 0.00 0.00 42.92 42.24 1npe s ASP 999 CO 0.10 -0.28 1.87 1.12 -0.17 0.00 0.00 175.17 177.81 1npe h HIS 1000N 6.88 0.00 0.00 -5.34 2.07 -1.96 0.69 115.15 117.49 1npe h HIS 1000Ca -0.07 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.40 1npe h HIS 1000Cb 0.93 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.91 1npe h HIS 1000CO 0.50 0.00 -0.52 -0.07 -3.07 0.00 0.00 177.93 174.77 1npe h LEU 1001N 0.00 0.00 -0.05 6.12 3.38 -1.94 -3.37 115.31 119.45 1npe h LEU 1001Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1npe h LEU 1001Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1npe h LEU 1001CO 0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1npe n GLY 1002N 1.61 -1.34 2.43 0.83 0.00 -1.23 -4.94 105.19 102.54 1npe n GLY 1002Ca -0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1npe n GLY 1002CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npe n ARG 1003N -1.63 -3.73 -4.17 1.61 5.12 0.17 -5.01 116.66 109.03 1npe n ARG 1003Ca 0.05 0.50 -0.10 0.00 -1.93 0.00 0.00 57.85 56.37 1npe n ARG 1003Cb 0.28 -4.45 -0.10 0.00 -1.16 0.00 0.00 32.46 27.04 1npe n ARG 1003CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1npe s THR 1004N -3.21 0.45 0.24 0.55 -4.23 -0.82 -2.53 115.64 106.08 1npe s THR 1004Ca 0.02 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.71 1npe s THR 1004Cb -0.00 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1npe s THR 1004CO 0.43 -0.69 -0.13 0.27 -0.54 0.00 0.00 174.62 173.96 1npe s ILE 1005N -3.80 2.91 0.03 2.99 -4.36 0.79 -0.46 121.20 119.30 1npe s ILE 1005Ca 0.17 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1npe s ILE 1005Cb 0.07 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 1npe s ILE 1005CO -0.02 -0.27 -0.08 -0.36 0.24 0.00 0.00 174.94 174.46 1npe s PHE 1006N -2.11 0.68 0.09 1.37 0.08 0.10 -1.64 117.98 116.56 1npe s PHE 1006Ca 0.27 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.80 1npe s PHE 1006Cb -0.07 -0.41 0.04 0.00 -0.57 0.00 0.00 43.02 42.01 1npe s PHE 1006CO 0.16 -0.04 0.42 1.67 -0.10 0.00 0.00 175.22 177.32 1npe s TRP 1007N -0.91 -0.26 0.03 0.36 -2.14 -0.65 -0.55 118.94 114.82 1npe s TRP 1007Ca -0.05 0.08 0.00 0.00 2.66 0.00 0.00 56.10 58.79 1npe s TRP 1007Cb -0.07 0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 30.52 1npe s TRP 1007CO 0.00 -0.65 0.12 0.95 -2.66 0.00 0.00 176.95 174.71 1npe s THR 1008N -3.20 4.94 -0.19 0.66 -4.23 -0.67 -2.06 115.64 110.88 1npe s THR 1008Ca -0.01 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1npe s THR 1008Cb 0.01 -3.32 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1npe s THR 1008CO -0.08 0.26 0.07 -0.62 -0.54 0.00 0.00 174.62 173.71 1npe s ASP 1009N -2.06 2.75 0.00 3.99 -1.08 -0.19 -2.17 116.67 117.91 1npe s ASP 1009Ca 0.27 -0.79 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 1npe s ASP 1009Cb -0.12 -0.44 1.39 0.00 -1.46 0.00 0.00 42.92 42.28 1npe s ASP 1009CO 0.19 -0.34 1.93 -1.54 0.52 0.00 0.00 175.17 175.93 1npe n SER 1010N 5.15 0.74 -0.09 -0.34 3.41 -0.99 -1.65 113.62 119.85 1npe n SER 1010Ca -0.08 -1.30 -0.13 0.00 -0.26 0.00 0.00 58.87 57.10 1npe n SER 1010Cb 0.47 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1npe n SER 1010CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1npe n GLN 1011N -0.40 0.51 0.00 4.33 7.27 -1.26 -4.46 117.38 123.37 1npe n GLN 1011Ca 0.20 0.21 0.12 0.00 0.07 0.00 0.00 57.00 57.61 1npe n GLN 1011Cb 0.22 -1.39 0.64 0.00 2.41 0.00 0.00 30.24 32.12 1npe n GLN 1011CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1npe n LEU 1012N -4.35 0.00 -3.37 1.69 4.77 -1.26 -4.94 117.00 109.55 1npe n LEU 1012Ca -0.22 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 1npe n LEU 1012Cb 0.58 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1npe n LEU 1012CO 0.16 -0.05 0.04 0.47 -1.33 0.00 0.00 177.39 176.68 1npe n ASP 1013N -1.28 -6.40 -3.80 -1.43 8.00 -0.75 -5.02 116.55 105.87 1npe n ASP 1013Ca 0.12 -0.71 -0.08 0.00 0.71 0.00 0.00 54.79 54.84 1npe n ASP 1013Cb 0.20 -4.57 -0.02 0.00 -0.02 0.00 0.00 41.12 36.71 1npe n ASP 1013CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1npe s ARG 1014N -4.65 1.79 -0.16 -1.24 1.70 -0.66 -4.46 118.95 111.27 1npe s ARG 1014Ca 0.37 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1npe s ARG 1014Cb -0.08 0.59 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 1npe s ARG 1014CO 0.78 -0.81 -0.11 0.42 -1.08 0.00 0.00 175.30 174.51 1npe s ILE 1015N -3.80 1.44 0.26 4.99 1.01 -0.18 -1.02 121.20 123.90 1npe s ILE 1015Ca 0.13 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1npe s ILE 1015Cb -0.05 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1npe s ILE 1015CO 0.08 0.31 0.02 -1.61 0.00 0.00 0.00 174.94 173.73 1npe s GLU 1016N 1.52 2.37 0.04 2.79 2.02 -0.88 -0.57 118.70 125.99 1npe s GLU 1016Ca 0.02 -1.36 0.04 0.00 0.02 0.00 0.00 54.97 53.70 1npe s GLU 1016Cb -0.14 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1npe s GLU 1016CO -0.09 0.37 -0.12 0.54 0.02 0.00 0.00 175.26 175.98 1npe s VAL 1017N -2.27 0.93 0.27 2.63 0.11 -0.30 -1.63 120.40 120.14 1npe s VAL 1017Ca 0.31 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 58.19 1npe s VAL 1017Cb -0.07 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1npe s VAL 1017CO 0.20 -0.08 0.70 0.00 -3.33 0.00 0.00 175.10 172.60 1npe s ALA 1018N -0.91 -1.22 0.83 1.54 0.00 -0.65 -1.32 121.76 120.03 1npe s ALA 1018Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1npe s ALA 1018Cb -0.08 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.00 1npe s ALA 1018CO 0.01 -1.01 1.10 0.15 0.00 0.00 0.00 175.76 176.01 1npe s LYS 1019N -3.91 1.76 0.37 0.00 1.02 -0.43 -0.15 119.74 118.40 1npe s LYS 1019Ca 0.10 1.12 0.13 0.00 0.02 0.00 0.00 55.97 57.35 1npe s LYS 1019Cb -0.05 -1.84 0.94 0.00 -0.52 0.00 0.00 37.83 36.35 1npe s LYS 1019CO 0.05 -1.98 1.82 0.52 -0.92 0.00 0.00 175.35 174.84 1npe h MET 1020N -1.37 0.54 -0.09 1.68 2.86 -1.81 0.21 114.93 116.95 1npe h MET 1020Ca -0.45 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1npe h MET 1020Cb 1.25 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1npe h MET 1020CO 0.51 0.36 0.00 -0.40 1.06 0.00 0.00 176.91 178.44 1npe n ASP 1021N -4.61 0.67 0.00 1.22 5.68 -1.26 -4.90 116.55 113.34 1npe n ASP 1021Ca 0.21 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1npe n ASP 1021Cb 0.66 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1npe n ASP 1021CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1npe n GLY 1022N 0.84 0.93 3.93 6.12 0.00 0.74 -4.82 105.19 112.94 1npe n GLY 1022Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1npe n GLY 1022CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1npe s THR 1023N -3.27 3.37 -1.24 2.61 -4.23 -1.26 -4.51 115.64 107.12 1npe s THR 1023Ca 0.00 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1npe s THR 1023Cb 0.00 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1npe s THR 1023CO 0.00 -0.33 0.94 0.00 -0.54 0.00 0.00 174.62 174.70 1npe n GLN 1024N -2.55 -6.30 -1.79 3.99 6.02 -1.26 -1.31 117.38 114.17 1npe n GLN 1024Ca 0.05 0.79 -0.38 0.00 -0.01 0.00 0.00 57.00 57.45 1npe n GLN 1024Cb 0.58 -5.71 0.04 0.00 1.02 0.00 0.00 30.24 26.17 1npe n GLN 1024CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1npe s ARG 1025N -5.56 3.16 -0.11 -1.09 0.52 -1.26 -4.53 118.95 110.08 1npe s ARG 1025Ca 0.04 2.23 -0.06 0.00 -0.52 0.00 0.00 55.73 57.42 1npe s ARG 1025Cb -0.02 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.23 1npe s ARG 1025CO 0.75 -1.17 0.26 0.50 0.02 0.00 0.00 175.30 175.66 1npe s ARG 1026N -2.90 0.24 -0.57 3.54 3.52 -0.44 -5.01 118.95 117.34 1npe s ARG 1026Ca 0.71 0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 56.56 1npe s ARG 1026Cb -0.40 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1npe s ARG 1026CO 0.48 -0.13 1.09 0.08 -0.81 0.00 0.00 175.30 176.00 1npe s VAL 1027N 1.01 4.17 0.03 7.11 1.01 -1.26 -1.15 120.40 131.31 1npe s VAL 1027Ca -0.07 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 1npe s VAL 1027Cb -0.08 -4.65 -0.15 0.00 0.00 0.00 0.00 36.38 31.50 1npe s VAL 1027CO -0.07 -1.26 1.34 0.25 0.00 0.00 0.00 175.10 175.36 1npe h LEU 1028N 11.55 0.34 -7.70 3.92 5.85 -1.16 -3.46 115.31 124.65 1npe h LEU 1028Ca -0.25 -0.48 -0.17 0.00 0.84 0.00 0.00 57.88 57.82 1npe h LEU 1028Cb 1.06 -0.10 -0.23 0.00 0.37 0.00 0.00 40.66 41.77 1npe h LEU 1028CO 1.15 0.75 -0.53 -0.36 -0.34 0.00 0.00 178.44 179.11 1npe s PHE 1029N -4.31 -0.02 0.00 1.25 0.08 -0.89 -4.99 117.98 109.11 1npe s PHE 1029Ca -0.14 0.04 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1npe s PHE 1029Cb 0.05 -0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 1npe s PHE 1029CO 0.75 -0.19 0.64 -0.40 -0.10 0.00 0.00 175.22 175.91 1npe n ASP 1030N 2.09 0.00 -4.20 1.36 5.75 -1.26 -1.01 116.55 119.28 1npe n ASP 1030Ca -0.19 -1.29 -0.18 0.00 -0.01 0.00 0.00 54.79 53.12 1npe n ASP 1030Cb 0.57 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 1npe n ASP 1030CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1npe s THR 1031N 0.00 1.23 -0.65 2.12 -4.23 -1.26 -4.75 115.64 108.09 1npe s THR 1031Ca 0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1npe s THR 1031Cb 0.00 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1npe s THR 1031CO 0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1npe n GLY 1032N 0.98 0.77 3.27 3.99 0.00 -1.26 -4.98 105.19 107.96 1npe n GLY 1032Ca -0.19 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1npe n GLY 1032CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1npe s LEU 1033N -1.39 2.54 0.01 0.99 1.43 -1.26 -4.97 118.68 116.02 1npe s LEU 1033Ca 0.00 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1npe s LEU 1033Cb 0.00 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1npe s LEU 1033CO 0.00 0.08 -0.00 0.52 0.23 0.00 0.00 176.35 177.18 1npe n VAL 1034N 4.11 0.16 -2.91 -1.59 0.31 -1.26 -4.78 118.33 112.37 1npe n VAL 1034Ca -0.19 0.05 -0.17 0.00 -0.01 0.00 0.00 64.34 64.02 1npe n VAL 1034Cb 0.52 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 1npe n VAL 1034CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1npe n ASN 1035N -3.06 1.96 -4.75 4.52 5.03 -1.26 -4.78 115.26 112.92 1npe n ASN 1035Ca -0.00 -3.08 -0.36 0.00 0.87 0.00 0.00 54.58 52.01 1npe n ASN 1035Cb 0.44 -0.57 0.05 0.00 -1.02 0.00 0.00 39.78 38.68 1npe n ASN 1035CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1npe s PRO 1036N -2.92 2.80 0.00 3.52 0.04 -1.26 -1.62 135.00 135.55 1npe s PRO 1036Ca 0.38 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1npe s PRO 1036Cb 0.38 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1npe s PRO 1036CO -0.06 -1.35 0.00 -2.13 0.04 0.00 0.00 177.00 173.50 1npe n ARG 1037N -1.79 0.00 -2.15 4.56 0.63 -0.55 -4.28 116.66 113.08 1npe n ARG 1037Ca 0.14 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.67 1npe n ARG 1037Cb 0.49 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.39 1npe n ARG 1037CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1npe s GLY 1038N -1.27 2.97 -0.22 5.14 0.00 -1.14 -3.50 107.32 109.29 1npe s GLY 1038Ca 0.00 1.19 -0.15 0.00 0.00 0.00 0.00 44.72 45.76 1npe s GLY 1038CO 0.00 1.81 0.56 -1.50 0.00 0.00 0.00 173.10 173.97 1npe s ILE 1039N -1.21 -0.01 0.06 0.90 2.07 -1.26 -0.94 121.20 120.82 1npe s ILE 1039Ca 0.52 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.76 1npe s ILE 1039Cb -0.38 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.37 1npe s ILE 1039CO 0.49 0.01 0.00 0.68 -1.91 0.00 0.00 174.94 174.22 1npe s VAL 1040N 1.08 0.20 0.34 4.00 -7.23 -0.16 -4.32 120.40 114.32 1npe s VAL 1040Ca -0.06 -1.73 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1npe s VAL 1040Cb -0.06 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 1npe s VAL 1040CO -0.10 -0.93 -0.08 0.42 -0.31 0.00 0.00 175.10 174.10 1npe s THR 1041N -3.92 2.10 -0.40 5.32 -4.23 -1.26 -1.46 115.64 111.79 1npe s THR 1041Ca 0.07 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1npe s THR 1041Cb 0.08 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.50 1npe s THR 1041CO -0.10 -0.20 0.47 -0.67 -0.54 0.00 0.00 174.62 173.59 1npe n ASP 1042N -0.77 -0.10 -0.35 3.99 2.03 -0.55 -4.88 116.55 115.94 1npe n ASP 1042Ca -0.05 -2.61 0.23 0.00 0.52 0.00 0.00 54.79 52.89 1npe n ASP 1042Cb 0.64 -0.56 0.48 0.00 -0.72 0.00 0.00 41.12 40.95 1npe n ASP 1042CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1npe h PRO 1043N 4.49 0.37 -0.72 -0.67 0.11 -1.86 -0.81 132.00 132.92 1npe h PRO 1043Ca 0.13 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1npe h PRO 1043Cb 0.89 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 1npe h PRO 1043CO 0.43 0.24 0.17 0.28 -0.21 0.00 0.00 178.00 178.92 1npe h VAL 1044N 0.38 1.26 -0.02 3.15 2.07 -1.96 -3.01 116.25 118.12 1npe h VAL 1044Ca 0.70 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1npe h VAL 1044Cb 1.63 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1npe h VAL 1044CO -0.50 0.38 -0.19 0.54 0.02 0.00 0.00 177.57 177.82 1npe n ARG 1045N -4.23 1.61 -2.44 1.57 3.00 -0.82 -4.99 116.66 110.36 1npe n ARG 1045Ca 0.05 -1.22 -0.10 0.00 -0.01 0.00 0.00 57.85 56.57 1npe n ARG 1045Cb 0.26 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.26 1npe n ARG 1045CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1npe n GLY 1046N 1.34 0.04 3.51 -0.13 0.00 -0.37 -5.01 105.19 104.57 1npe n GLY 1046Ca 0.13 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1npe n GLY 1046CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1npe s ASN 1047N -2.73 4.09 -0.03 1.61 0.01 -1.12 -1.05 114.94 115.72 1npe s ASN 1047Ca 0.09 -0.36 0.07 0.00 -0.71 0.00 0.00 52.86 51.94 1npe s ASN 1047Cb -0.04 -0.75 -0.02 0.00 0.41 0.00 0.00 41.25 40.86 1npe s ASN 1047CO 0.11 0.24 -0.25 -0.22 -1.51 0.00 0.00 177.10 175.47 1npe s LEU 1048N -1.60 2.10 0.01 0.60 2.96 0.85 -1.48 118.68 122.12 1npe s LEU 1048Ca 0.16 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1npe s LEU 1048Cb -0.11 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 1npe s LEU 1048CO 0.07 0.30 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.04 1npe s TYR 1049N -0.52 0.55 0.16 5.38 1.51 -0.54 -1.14 117.35 122.75 1npe s TYR 1049Ca 0.07 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 1npe s TYR 1049Cb -0.11 -0.35 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1npe s TYR 1049CO 0.00 -0.02 0.40 1.67 -1.11 0.00 0.00 175.55 176.48 1npe s TRP 1050N -0.40 0.01 0.17 2.71 -2.14 -0.28 -0.98 118.94 118.02 1npe s TRP 1050Ca -0.00 -0.36 0.09 0.00 2.66 0.00 0.00 56.10 58.48 1npe s TRP 1050Cb -0.04 0.20 -0.04 0.00 -3.10 0.00 0.00 33.47 30.49 1npe s TRP 1050CO -0.00 -0.77 -0.09 0.95 -2.66 0.00 0.00 176.95 174.38 1npe s THR 1051N -3.88 3.24 -0.21 0.66 -4.23 -0.11 -0.70 115.64 110.41 1npe s THR 1051Ca 0.09 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1npe s THR 1051Cb 0.01 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1npe s THR 1051CO -0.06 -0.07 0.09 -0.62 -0.54 0.00 0.00 174.62 173.42 1npe s ASP 1052N -2.73 2.82 0.00 3.99 -1.08 -0.51 -1.48 116.67 117.69 1npe s ASP 1052Ca 0.24 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1npe s ASP 1052Cb -0.09 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.00 1npe s ASP 1052CO 0.15 -0.37 0.52 -2.67 0.52 0.00 0.00 175.17 173.32 1npe n TRP 1053N 5.21 0.00 -0.90 -5.34 4.27 -0.64 -1.56 117.44 118.48 1npe n TRP 1053Ca -0.07 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.14 1npe n TRP 1053Cb 0.47 -0.09 -0.09 0.00 -1.36 0.00 0.00 31.31 30.24 1npe n TRP 1053CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1npe n ASN 1054N -0.02 0.48 -0.31 -0.67 4.05 -1.26 -4.74 115.26 112.79 1npe n ASN 1054Ca 0.00 0.43 0.16 0.00 0.45 0.00 0.00 54.58 55.62 1npe n ASN 1054Cb 0.22 -0.63 0.33 0.00 1.23 0.00 0.00 39.78 40.93 1npe n ASN 1054CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1npe h ARG 1055N 6.57 0.20 0.17 1.20 2.47 -1.91 -0.64 114.38 122.44 1npe h ARG 1055Ca -0.07 -0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.34 1npe h ARG 1055Cb 0.99 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1npe h ARG 1055CO 0.79 0.13 -1.40 -0.44 0.56 0.00 0.00 179.97 179.61 1npe h ASP 1056N 0.20 0.57 -2.06 7.04 3.32 -1.95 -3.41 116.42 120.13 1npe h ASP 1056Ca 0.60 -0.65 -0.57 0.00 0.02 0.00 0.00 57.03 56.44 1npe h ASP 1056Cb 1.27 -0.19 -0.39 0.00 0.22 0.00 0.00 39.33 40.24 1npe h ASP 1056CO -0.68 1.51 -1.06 0.59 -1.72 0.00 0.00 179.24 177.89 1npe n ASN 1057N -3.58 0.31 -4.75 6.45 4.13 -0.83 -5.12 115.26 111.86 1npe n ASN 1057Ca -0.14 -2.70 -0.37 0.00 1.68 0.00 0.00 54.58 53.06 1npe n ASN 1057Cb 1.06 -0.63 0.03 0.00 -1.54 0.00 0.00 39.78 38.70 1npe n ASN 1057CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1npe s PRO 1058N -1.10 3.14 0.13 3.52 0.04 -0.31 -4.56 135.00 135.87 1npe s PRO 1058Ca 0.35 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1npe s PRO 1058Cb 0.15 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1npe s PRO 1058CO -0.12 -1.10 0.60 -1.59 0.04 0.00 0.00 177.00 174.84 1npe s LYS 1059N -3.11 1.24 -0.19 4.56 -2.85 -0.60 -4.62 119.74 114.18 1npe s LYS 1059Ca 0.74 -0.40 -0.02 0.00 -1.00 0.00 0.00 55.97 55.29 1npe s LYS 1059Cb -0.33 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1npe s LYS 1059CO 0.37 -0.53 -0.11 0.42 0.10 0.00 0.00 175.35 175.60 1npe s ILE 1060N -3.45 2.84 0.30 3.79 -1.09 -0.60 -1.42 121.20 121.57 1npe s ILE 1060Ca -0.00 -0.68 0.11 0.00 -2.23 0.00 0.00 60.65 57.85 1npe s ILE 1060Cb -0.01 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1npe s ILE 1060CO -0.10 0.48 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.31 1npe s GLU 1061N 1.25 1.73 0.05 2.79 2.02 0.12 -0.31 118.70 126.35 1npe s GLU 1061Ca 0.03 -1.82 -0.01 0.00 0.02 0.00 0.00 54.97 53.19 1npe s GLU 1061Cb -0.14 -1.76 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 1npe s GLU 1061CO -0.05 0.27 -0.03 -0.08 0.02 0.00 0.00 175.26 175.39 1npe s THR 1062N -2.54 0.21 0.16 3.63 -1.32 -0.40 -1.13 115.64 114.25 1npe s THR 1062Ca 0.31 -1.71 -0.25 0.00 -1.21 0.00 0.00 61.69 58.84 1npe s THR 1062Cb -0.03 -1.39 0.06 0.00 -1.51 0.00 0.00 72.50 69.63 1npe s THR 1062CO 0.16 -0.94 0.90 -0.94 -2.21 0.00 0.00 174.62 171.58 1npe s SER 1063N -2.77 -0.23 0.63 8.08 1.04 -0.29 -1.07 113.70 119.09 1npe s SER 1063Ca 0.05 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1npe s SER 1063Cb 0.06 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 1npe s SER 1063CO -0.09 -0.95 1.07 -1.00 0.98 0.00 0.00 173.24 173.24 1npe s HIS 1064N -3.40 2.93 0.31 5.02 3.76 0.09 -0.10 115.29 123.90 1npe s HIS 1064Ca 0.11 1.51 0.38 0.00 -0.15 0.00 0.00 55.06 56.90 1npe s HIS 1064Cb -0.02 -3.02 1.77 0.00 1.11 0.00 0.00 32.58 32.42 1npe s HIS 1064CO 0.01 -1.26 2.13 0.52 -0.85 0.00 0.00 174.74 175.30 1npe h MET 1065N 0.13 0.00 -0.00 1.40 0.00 -1.38 -2.25 114.93 112.84 1npe h MET 1065Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.24 1npe h MET 1065Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.82 1npe h MET 1065CO 0.56 0.00 -0.01 -0.40 0.00 0.00 0.00 176.91 177.07 1npe n ASP 1066N -3.09 0.03 0.00 1.22 5.68 -1.26 -4.91 116.55 114.22 1npe n ASP 1066Ca -0.01 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1npe n ASP 1066Cb 0.22 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1npe n ASP 1066CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1npe n GLY 1067N 1.26 0.22 3.99 6.12 0.00 -0.84 -5.08 105.19 110.85 1npe n GLY 1067Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1npe n GLY 1067CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1npe s THR 1068N -2.00 2.55 -1.41 2.61 -4.23 -1.26 -4.66 115.64 107.24 1npe s THR 1068Ca 0.00 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1npe s THR 1068Cb 0.00 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 71.05 1npe s THR 1068CO 0.00 0.00 0.92 0.59 -0.54 0.00 0.00 174.62 175.59 1npe n ASN 1069N -2.38 -3.57 -4.75 3.99 4.13 -1.26 -0.74 115.26 110.68 1npe n ASN 1069Ca 0.10 -0.75 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 1npe n ASN 1069Cb 0.60 -4.20 -0.04 0.00 -1.54 0.00 0.00 39.78 34.60 1npe n ASN 1069CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1npe s ARG 1070N -6.27 4.58 -0.02 3.52 3.52 -1.26 -4.20 118.95 118.82 1npe s ARG 1070Ca 0.38 1.85 -0.28 0.00 -0.13 0.00 0.00 55.73 57.54 1npe s ARG 1070Cb -0.18 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1npe s ARG 1070CO 0.80 0.09 0.79 -0.98 -0.81 0.00 0.00 175.30 175.19 1npe s ARG 1071N -1.08 0.94 -0.01 5.12 1.70 -0.23 -4.99 118.95 120.40 1npe s ARG 1071Ca 0.47 -0.07 -0.27 0.00 -0.47 0.00 0.00 55.73 55.39 1npe s ARG 1071Cb -0.33 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1npe s ARG 1071CO 0.40 -0.36 0.83 0.42 -1.08 0.00 0.00 175.30 175.52 1npe s ILE 1072N -2.24 4.90 -0.21 4.99 1.01 -1.26 -1.27 121.20 127.12 1npe s ILE 1072Ca -0.02 1.75 -0.06 0.00 0.00 0.00 0.00 60.65 62.32 1npe s ILE 1072Cb -0.01 -4.18 -0.19 0.00 0.01 0.00 0.00 42.46 38.09 1npe s ILE 1072CO -0.02 0.24 -0.01 -0.11 0.00 0.00 0.00 174.94 175.03 1npe n LEU 1073N 3.62 2.60 -3.87 2.97 7.94 0.58 -4.93 117.00 125.92 1npe n LEU 1073Ca 0.02 0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.90 1npe n LEU 1073Cb 0.51 -0.97 -0.13 0.00 0.53 0.00 0.00 43.42 43.36 1npe n LEU 1073CO 0.49 0.79 -0.30 0.00 -1.11 0.00 0.00 177.39 177.26 1npe s ALA 1074N -2.51 -0.12 0.00 1.96 0.00 -1.08 -4.88 121.76 115.13 1npe s ALA 1074Ca -0.31 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1npe s ALA 1074Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1npe s ALA 1074CO 0.64 -0.05 0.00 0.94 0.00 0.00 0.00 175.76 177.29 1npe n GLN 1075N 2.81 0.00 -2.19 0.00 7.27 -1.26 -1.56 117.38 122.45 1npe n GLN 1075Ca -0.14 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.61 1npe n GLN 1075Cb 0.59 -0.43 -0.01 0.00 2.41 0.00 0.00 30.24 32.80 1npe n GLN 1075CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1npe s ASP 1076N -3.28 6.40 -1.57 1.69 1.01 -1.26 -4.12 116.67 115.54 1npe s ASP 1076Ca 0.00 1.55 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 1npe s ASP 1076Cb 0.00 -2.50 0.09 0.00 1.01 0.00 0.00 42.92 41.52 1npe s ASP 1076CO 0.00 -0.75 0.76 0.59 0.21 0.00 0.00 175.17 175.98 1npe n ASN 1077N -2.01 -2.95 -4.27 0.27 5.03 -1.26 -4.98 115.26 105.10 1npe n ASN 1077Ca 0.07 -0.93 -0.28 0.00 0.87 0.00 0.00 54.58 54.31 1npe n ASN 1077Cb 0.54 -3.22 -0.15 0.00 -1.02 0.00 0.00 39.78 35.93 1npe n ASN 1077CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1npe s LEU 1078N -7.17 2.12 0.00 3.41 1.43 -1.26 -4.97 118.68 112.24 1npe s LEU 1078Ca 0.51 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1npe s LEU 1078Cb -0.27 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1npe s LEU 1078CO 0.88 0.23 0.00 0.61 0.23 0.00 0.00 176.35 178.30 1npe n GLY 1079N 2.11 0.13 2.48 -3.19 0.00 -1.26 -4.79 105.19 100.67 1npe n GLY 1079Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1npe n GLY 1079CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1npe n LEU 1080N -1.83 1.43 -4.55 0.99 4.77 -1.26 -4.76 117.00 111.79 1npe n LEU 1080Ca 0.00 -4.88 -0.38 0.00 -0.03 0.00 0.00 56.01 50.72 1npe n LEU 1080Cb 0.00 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1npe n LEU 1080CO 0.00 1.93 1.52 -2.16 -1.33 0.00 0.00 177.39 177.35 1npe s PRO 1081N -1.15 2.72 0.02 3.23 0.04 -1.26 -1.10 135.00 137.49 1npe s PRO 1081Ca 0.33 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 1npe s PRO 1081Cb 0.07 -4.43 -0.27 0.00 0.04 0.00 0.00 34.50 29.92 1npe s PRO 1081CO -0.13 -2.69 0.90 -0.91 0.04 0.00 0.00 177.00 174.21 1npe h ASN 1082N 13.85 0.34 -5.10 6.66 2.35 -1.67 -3.38 115.58 128.63 1npe h ASN 1082Ca -0.23 -0.46 -0.10 0.00 -0.55 0.00 0.00 56.30 54.97 1npe h ASN 1082Cb 1.13 -0.11 -0.16 0.00 0.05 0.00 0.00 38.32 39.23 1npe h ASN 1082CO 1.23 1.38 -0.36 -0.83 -1.65 0.00 0.00 177.43 177.20 1npe s GLY 1083N -4.92 0.03 0.15 2.83 0.00 -1.21 -2.89 107.32 101.31 1npe s GLY 1083Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 1npe s GLY 1083CO 0.85 -0.56 0.13 0.48 0.00 0.00 0.00 173.10 174.00 1npe s LEU 1084N -2.41 1.49 0.01 0.66 2.34 -1.26 -1.42 118.68 118.10 1npe s LEU 1084Ca -0.01 -1.12 -0.16 0.00 0.06 0.00 0.00 54.13 52.90 1npe s LEU 1084Cb 0.01 0.57 0.03 0.00 -0.56 0.00 0.00 46.19 46.25 1npe s LEU 1084CO -0.07 -0.79 0.36 0.28 -1.06 0.00 0.00 176.35 175.07 1npe s THR 1085N -4.03 0.06 -0.07 5.48 -1.32 0.17 -4.74 115.64 111.18 1npe s THR 1085Ca 0.23 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1npe s THR 1085Cb 0.06 -0.80 0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1npe s THR 1085CO 0.02 -0.27 -0.17 0.12 -2.21 0.00 0.00 174.62 172.11 1npe s PHE 1086N -1.90 1.83 -0.35 9.09 5.36 -1.26 -0.86 117.98 129.89 1npe s PHE 1086Ca -0.09 -0.67 -0.06 0.00 -0.96 0.00 0.00 56.93 55.15 1npe s PHE 1086Cb -0.03 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.43 1npe s PHE 1086CO 0.01 -0.29 0.11 0.34 -1.46 0.00 0.00 175.22 173.93 1npe s ASP 1087N 0.44 5.28 0.27 6.13 -1.08 -0.22 -4.94 116.67 122.55 1npe s ASP 1087Ca -0.14 -1.29 -0.01 0.00 -0.52 0.00 0.00 52.55 50.60 1npe s ASP 1087Cb -0.16 -1.85 0.49 0.00 -1.46 0.00 0.00 42.92 39.94 1npe s ASP 1087CO 0.05 -0.36 1.82 0.00 0.52 0.00 0.00 175.17 177.20 1npe h ALA 1088N 8.19 1.36 0.38 3.66 0.00 -1.97 -0.84 119.26 130.05 1npe h ALA 1088Ca -0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1npe h ALA 1088Cb 1.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1npe h ALA 1088CO 0.62 0.15 -0.18 0.35 0.00 0.00 0.00 179.25 180.18 1npe h PHE 1089N 0.88 -0.48 -0.00 0.00 3.57 -1.97 -3.06 116.94 115.88 1npe h PHE 1089Ca 0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1npe h PHE 1089Cb 0.46 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1npe h PHE 1089CO -0.03 -0.18 -0.00 -1.13 -2.23 0.00 0.00 178.31 174.74 1npe n SER 1090N -5.22 0.00 -3.98 0.41 3.41 -1.19 -4.90 113.62 102.14 1npe n SER 1090Ca -0.10 -0.94 -0.26 0.00 -0.26 0.00 0.00 58.87 57.30 1npe n SER 1090Cb 0.27 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1npe n SER 1090CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1npe n SER 1091N -1.02 -0.63 -4.19 4.04 7.64 -0.36 -4.95 113.62 114.15 1npe n SER 1091Ca 0.23 -1.01 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1npe n SER 1091Cb 0.12 -3.01 -0.16 0.00 -1.01 0.00 0.00 64.21 60.14 1npe n SER 1091CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1npe s GLN 1092N -6.61 3.07 -0.26 1.43 2.00 -0.96 -4.20 119.66 114.13 1npe s GLN 1092Ca 0.08 -0.83 -0.08 0.00 -2.00 0.00 0.00 55.36 52.54 1npe s GLN 1092Cb -0.04 -2.49 -0.03 0.00 0.80 0.00 0.00 33.01 31.25 1npe s GLN 1092CO 0.89 -0.01 0.10 -1.17 -0.50 0.00 0.00 175.29 174.59 1npe s LEU 1093N 0.84 3.63 0.08 3.68 2.96 0.10 -1.05 118.68 128.91 1npe s LEU 1093Ca -0.06 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.68 1npe s LEU 1093Cb -0.15 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1npe s LEU 1093CO -0.02 -0.07 -0.26 0.00 -1.32 0.00 0.00 176.35 174.68 1npe s TRP 1095N -0.92 0.93 -0.08 0.00 -2.14 0.60 0.41 118.94 117.74 1npe s TRP 1095Ca 0.12 -0.93 0.03 0.00 2.66 0.00 0.00 56.10 57.98 1npe s TRP 1095Cb -0.10 -0.54 -0.02 0.00 -3.10 0.00 0.00 33.47 29.72 1npe s TRP 1095CO 0.04 -0.17 -0.17 0.14 -2.66 0.00 0.00 176.95 174.13 1npe s VAL 1096N -3.64 2.78 -0.20 -0.66 -7.23 -0.51 -1.11 120.40 109.84 1npe s VAL 1096Ca 0.14 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1npe s VAL 1096Cb 0.05 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1npe s VAL 1096CO -0.04 0.56 -0.15 -0.62 -0.31 0.00 0.00 175.10 174.55 1npe s ASP 1097N -0.18 3.41 0.00 4.85 -1.08 0.13 -2.06 116.67 121.74 1npe s ASP 1097Ca -0.01 -0.84 0.24 0.00 -0.52 0.00 0.00 52.55 51.41 1npe s ASP 1097Cb -0.13 -1.40 1.24 0.00 -1.46 0.00 0.00 42.92 41.16 1npe s ASP 1097CO 0.03 -0.08 1.82 0.00 0.52 0.00 0.00 175.17 177.46 1npe n ALA 1098N 4.61 2.61 -0.12 3.66 0.00 -0.26 -1.29 120.51 129.73 1npe n ALA 1098Ca -0.18 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1npe n ALA 1098Cb 0.48 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1npe n ALA 1098CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1npe n GLY 1099N 0.96 -0.35 0.31 0.00 0.00 -1.26 -4.44 105.19 100.40 1npe n GLY 1099Ca 0.18 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1npe n GLY 1099CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1npe n THR 1100N -3.64 0.00 -3.67 2.61 -2.24 -1.24 -4.86 114.28 101.24 1npe n THR 1100Ca -0.44 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 60.95 1npe n THR 1100Cb 0.88 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 1npe n THR 1100CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1npe n HIS 1101N -0.46 -2.34 -3.97 4.78 8.25 -0.41 -4.93 115.22 116.14 1npe n HIS 1101Ca 0.13 0.93 -0.10 0.00 -0.26 0.00 0.00 57.72 58.42 1npe n HIS 1101Cb 0.36 -4.62 -0.04 0.00 1.12 0.00 0.00 29.99 26.81 1npe n HIS 1101CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1npe s ARG 1102N -6.10 1.74 -0.10 -0.41 1.70 -0.91 -1.61 118.95 113.26 1npe s ARG 1102Ca 0.33 -1.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 1npe s ARG 1102Cb -0.16 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1npe s ARG 1102CO 0.78 -0.75 -0.15 0.00 -1.08 0.00 0.00 175.30 174.09 1npe s ALA 1103N -3.59 2.56 -0.01 7.88 0.00 -0.42 0.17 121.76 128.36 1npe s ALA 1103Ca 0.21 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1npe s ALA 1103Cb -0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1npe s ALA 1103CO 0.11 0.33 -0.15 -1.21 0.00 0.00 0.00 175.76 174.84 1npe s GLU 1104N 0.07 1.22 0.14 0.00 2.02 -0.27 -0.88 118.70 121.00 1npe s GLU 1104Ca -0.06 -0.58 0.09 0.00 0.02 0.00 0.00 54.97 54.44 1npe s GLU 1104Cb -0.15 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 1npe s GLU 1104CO 0.05 0.32 -0.22 0.00 0.02 0.00 0.00 175.26 175.43 1npe s LEU 1106N -2.25 -0.35 -0.28 0.00 0.20 0.38 -1.20 118.68 115.18 1npe s LEU 1106Ca 0.13 0.13 -0.12 0.00 0.69 0.00 0.00 54.13 54.96 1npe s LEU 1106Cb -0.09 2.38 -0.05 0.00 -0.43 0.00 0.00 46.19 48.01 1npe s LEU 1106CO 0.06 -0.83 0.24 0.21 -0.29 0.00 0.00 176.35 175.74 1npe s ASN 1107N -2.29 6.09 0.63 3.68 3.84 -1.26 0.00 114.94 125.63 1npe s ASN 1107Ca -0.02 0.08 0.28 0.00 0.21 0.00 0.00 52.86 53.40 1npe s ASN 1107Cb -0.00 -2.14 1.46 0.00 -0.55 0.00 0.00 41.25 40.01 1npe s ASN 1107CO -0.06 -0.08 1.85 -0.65 -2.79 0.00 0.00 177.10 175.36 1npe h PRO 1108N 8.29 0.00 -0.02 0.43 0.11 -1.95 -0.13 132.00 138.72 1npe h PRO 1108Ca -0.34 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 1npe h PRO 1108Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1npe h PRO 1108CO 0.58 0.00 -0.95 0.00 -0.21 0.00 0.00 178.00 177.42 1npe h ALA 1109N 1.30 0.29 -2.40 -0.75 0.00 -1.93 -3.35 119.26 112.42 1npe h ALA 1109Ca 0.10 -0.69 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1npe h ALA 1109Cb 0.99 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.37 1npe h ALA 1109CO -0.00 0.75 -0.66 1.04 0.00 0.00 0.00 179.25 180.38 1npe n GLN 1110N -3.81 2.04 0.09 0.00 6.02 -0.10 -4.97 117.38 116.66 1npe n GLN 1110Ca -0.08 -4.39 0.16 0.00 -0.01 0.00 0.00 57.00 52.68 1npe n GLN 1110Cb 0.83 -2.12 0.68 0.00 1.02 0.00 0.00 30.24 30.65 1npe n GLN 1110CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1npe h PRO 1111N 4.52 0.00 -0.00 -1.09 0.11 -1.62 -3.09 132.00 130.83 1npe h PRO 1111Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1npe h PRO 1111Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1npe h PRO 1111CO 0.74 0.00 -0.15 0.78 -0.21 0.00 0.00 178.00 179.17 1npe h GLY 1112N 0.00 0.00 -7.20 -0.55 0.00 -1.89 -3.42 103.07 90.02 1npe h GLY 1112Ca 0.17 -0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.84 1npe h GLY 1112CO -0.00 0.00 0.10 -1.60 0.00 0.00 0.00 176.54 175.04 1npe s ARG 1113N -4.72 3.26 -0.17 4.80 3.52 -1.17 -5.05 118.95 119.42 1npe s ARG 1113Ca -0.04 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.13 1npe s ARG 1113Cb 0.16 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.58 1npe s ARG 1113CO 0.69 -1.01 -0.09 1.03 -0.81 0.00 0.00 175.30 175.11 1npe s ARG 1114N 2.77 3.36 0.14 5.12 0.52 -1.26 -4.45 118.95 125.16 1npe s ARG 1114Ca 0.22 -0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 1npe s ARG 1114Cb -0.14 -2.80 -0.07 0.00 0.52 0.00 0.00 34.95 32.45 1npe s ARG 1114CO 0.18 -0.00 0.85 0.15 0.02 0.00 0.00 175.30 176.50 1npe s LYS 1115N 0.92 4.65 -0.03 3.54 1.02 -0.34 -4.90 119.74 124.60 1npe s LYS 1115Ca -0.02 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.27 1npe s LYS 1115Cb -0.15 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1npe s LYS 1115CO -0.00 0.42 -0.11 0.14 -0.92 0.00 0.00 175.35 174.88 1npe s VAL 1116N -0.67 0.93 -0.19 3.17 -7.23 -1.26 -1.48 120.40 113.68 1npe s VAL 1116Ca 0.40 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 60.10 1npe s VAL 1116Cb -0.23 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 1npe s VAL 1116CO 0.28 0.29 -0.07 -0.22 -0.31 0.00 0.00 175.10 175.07 1npe s LEU 1117N 0.20 2.89 0.47 1.32 2.96 -0.06 -4.99 118.68 121.47 1npe s LEU 1117Ca -0.04 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1npe s LEU 1117Cb -0.10 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1npe s LEU 1117CO 0.01 0.05 0.65 -1.61 -1.32 0.00 0.00 176.35 174.13 1npe s GLU 1118N 1.03 2.69 0.00 1.98 2.02 -1.26 -1.30 118.70 123.86 1npe s GLU 1118Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1npe s GLU 1118Cb -0.15 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1npe s GLU 1118CO -0.00 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1npe n GLY 1119N -2.02 0.74 3.64 -1.39 0.00 -1.13 -4.95 105.19 100.09 1npe n GLY 1119Ca 0.09 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1npe n GLY 1119CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1npe s LEU 1120N 0.00 4.00 0.02 0.99 1.02 -0.63 -4.97 118.68 119.10 1npe s LEU 1120Ca 0.00 1.12 -0.12 0.00 0.02 0.00 0.00 54.13 55.15 1npe s LEU 1120Cb 0.00 -3.49 -0.06 0.00 0.02 0.00 0.00 46.19 42.66 1npe s LEU 1120CO 0.00 -0.78 1.16 1.56 0.02 0.00 0.00 176.35 178.31 1npe h GLN 1121N 7.88 -0.40 -0.76 1.70 1.08 -1.95 -3.39 115.11 119.27 1npe h GLN 1121Ca -0.20 0.03 -0.31 0.00 -1.45 0.00 0.00 58.65 56.72 1npe h GLN 1121Cb 1.06 0.09 -0.21 0.00 -0.05 0.00 0.00 27.48 28.37 1npe h GLN 1121CO 1.00 -0.27 -0.66 0.98 -0.95 0.00 0.00 178.83 178.93 1npe n TYR 1122N -3.14 -2.62 -2.07 2.96 9.36 -1.26 -4.90 117.16 115.48 1npe n TYR 1122Ca -0.05 -2.19 -0.41 0.00 3.32 0.00 0.00 57.90 58.58 1npe n TYR 1122Cb 0.17 1.05 -0.02 0.00 -0.63 0.00 0.00 39.34 39.91 1npe n TYR 1122CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1npe s PRO 1123N 0.27 4.28 -0.08 2.98 0.02 -1.26 -0.86 135.00 140.36 1npe s PRO 1123Ca 0.32 2.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 1npe s PRO 1123Cb 0.17 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 1npe s PRO 1123CO -0.18 -0.26 -0.11 0.34 -0.33 0.00 0.00 177.00 176.46 1npe n PHE 1124N 0.68 0.00 -4.19 6.54 7.35 0.58 -4.35 117.46 124.06 1npe n PHE 1124Ca 0.01 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.58 1npe n PHE 1124Cb 0.42 -0.28 -0.10 0.00 0.35 0.00 0.00 39.48 39.86 1npe n PHE 1124CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1npe s ALA 1125N -2.16 1.10 0.02 3.13 0.00 -1.25 -3.30 121.76 119.30 1npe s ALA 1125Ca -0.11 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1npe s ALA 1125Cb 0.04 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1npe s ALA 1125CO 0.14 -0.29 0.36 0.54 0.00 0.00 0.00 175.76 176.52 1npe s VAL 1126N -3.68 0.06 0.14 0.00 0.11 -1.26 -1.31 120.40 114.46 1npe s VAL 1126Ca 0.17 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 1npe s VAL 1126Cb 0.06 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1npe s VAL 1126CO -0.01 -0.28 0.25 0.28 -3.33 0.00 0.00 175.10 172.01 1npe s THR 1127N -2.07 0.09 0.12 5.04 -1.32 -0.42 -4.59 115.64 112.49 1npe s THR 1127Ca -0.08 -1.29 0.05 0.00 -1.21 0.00 0.00 61.69 59.16 1npe s THR 1127Cb -0.02 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 1npe s THR 1127CO 0.00 -0.42 -0.13 -0.94 -2.21 0.00 0.00 174.62 170.92 1npe s SER 1128N -2.93 1.82 -0.37 8.08 1.04 -1.26 -1.16 113.70 118.92 1npe s SER 1128Ca 0.12 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1npe s SER 1128Cb 0.04 -0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.27 1npe s SER 1128CO -0.04 -0.19 0.33 -0.47 0.98 0.00 0.00 173.24 173.85 1npe s TYR 1129N -2.30 0.10 0.00 5.02 5.04 -0.79 -4.90 117.35 119.51 1npe s TYR 1129Ca 0.08 -1.21 0.00 0.00 -2.44 0.00 0.00 57.07 53.50 1npe s TYR 1129Cb -0.04 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.69 1npe s TYR 1129CO 0.02 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 173.71 1npe n GLY 1130N 3.99 2.75 0.05 8.97 0.00 -1.26 -2.71 105.19 116.99 1npe n GLY 1130Ca 0.14 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1npe n GLY 1130CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1npe n LYS 1131N 11.75 0.20 -3.66 1.61 2.85 -1.26 -4.91 118.16 124.74 1npe n LYS 1131Ca 0.00 0.08 -0.36 0.00 -1.05 0.00 0.00 58.31 56.98 1npe n LYS 1131Cb 0.00 -1.65 -0.06 0.00 -0.65 0.00 0.00 35.03 32.67 1npe n LYS 1131CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1npe s ASN 1132N -3.92 6.61 -0.05 -5.58 -0.87 -1.10 -1.65 114.94 108.38 1npe s ASN 1132Ca 0.08 0.72 0.02 0.00 -1.57 0.00 0.00 52.86 52.12 1npe s ASN 1132Cb 0.15 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.25 39.19 1npe s ASN 1132CO 0.68 0.29 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.65 1npe s LEU 1133N -1.41 3.01 -0.17 0.60 1.43 0.26 -1.89 118.68 120.51 1npe s LEU 1133Ca 0.25 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1npe s LEU 1133Cb -0.14 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1npe s LEU 1133CO 0.13 0.34 -0.11 -0.31 0.23 0.00 0.00 176.35 176.64 1npe s TYR 1134N -0.82 2.13 0.15 0.29 1.51 -0.31 0.13 117.35 120.44 1npe s TYR 1134Ca 0.13 -1.30 0.08 0.00 -1.01 0.00 0.00 57.07 54.96 1npe s TYR 1134Cb -0.11 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1npe s TYR 1134CO 0.02 -0.68 -0.17 1.52 -1.11 0.00 0.00 175.55 175.13 1npe s TYR 1135N 1.49 1.71 -0.10 2.71 -0.85 -0.22 -1.29 117.35 120.79 1npe s TYR 1135Ca 0.02 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 1npe s TYR 1135Cb -0.14 -0.87 -0.05 0.00 0.38 0.00 0.00 41.96 41.28 1npe s TYR 1135CO -0.09 0.27 0.22 0.95 -1.52 0.00 0.00 175.55 175.37 1npe s THR 1136N -1.99 5.37 -0.08 -3.49 -4.23 -0.43 -0.44 115.64 110.35 1npe s THR 1136Ca 0.13 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1npe s THR 1136Cb -0.06 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1npe s THR 1136CO 0.05 0.57 -0.19 -0.62 -0.54 0.00 0.00 174.62 173.89 1npe s ASP 1137N -0.77 2.57 0.21 3.99 -1.08 -0.74 -0.31 116.67 120.54 1npe s ASP 1137Ca 0.16 -0.45 0.10 0.00 -0.52 0.00 0.00 52.55 51.84 1npe s ASP 1137Cb -0.13 -1.15 0.04 0.00 -1.46 0.00 0.00 42.92 40.22 1npe s ASP 1137CO 0.06 0.12 1.42 -0.50 0.52 0.00 0.00 175.17 176.78 1npe h TRP 1138N 6.76 0.00 0.00 -5.34 4.06 -1.31 -1.74 115.95 118.38 1npe h TRP 1138Ca -0.24 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 1npe h TRP 1138Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1npe h TRP 1138CO 0.47 0.76 -0.10 -0.22 -3.56 0.00 0.00 178.44 175.79 1npe h LYS 1139N 0.00 0.07 0.00 0.49 1.63 -1.92 -3.35 116.57 113.48 1npe h LYS 1139Ca -0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1npe h LYS 1139Cb 1.48 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1npe h LYS 1139CO 0.10 0.86 -0.47 0.25 -3.45 0.00 0.00 179.45 176.74 1npe n THR 1140N -4.62 0.02 -3.71 1.00 -2.24 -1.26 -4.97 114.28 98.51 1npe n THR 1140Ca -0.10 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 1npe n THR 1140Cb 0.44 0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1npe n THR 1140CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1npe n ASN 1141N -1.54 -1.26 -3.85 3.42 3.02 -0.66 -4.98 115.26 109.41 1npe n ASN 1141Ca 0.05 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 53.67 1npe n ASN 1141Cb 0.34 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.47 1npe n ASN 1141CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1npe s SER 1142N -4.33 -0.12 -0.26 6.41 1.04 -1.19 -4.39 113.70 110.86 1npe s SER 1142Ca 0.02 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1npe s SER 1142Cb -0.00 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1npe s SER 1142CO 0.82 -0.99 0.25 -0.69 0.98 0.00 0.00 173.24 173.61 1npe s VAL 1143N -3.92 5.28 -0.14 5.02 1.01 -0.46 -1.79 120.40 125.40 1npe s VAL 1143Ca 0.13 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1npe s VAL 1143Cb 0.01 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1npe s VAL 1143CO -0.01 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.63 1npe s ILE 1144N 1.60 3.53 -0.24 2.22 1.01 0.42 -1.03 121.20 128.70 1npe s ILE 1144Ca 0.11 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 1npe s ILE 1144Cb -0.15 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1npe s ILE 1144CO 0.09 0.51 0.16 0.00 0.00 0.00 0.00 174.94 175.69 1npe s ALA 1145N 0.36 3.58 0.01 9.38 0.00 -0.10 -1.06 121.76 133.93 1npe s ALA 1145Ca -0.07 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1npe s ALA 1145Cb -0.15 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1npe s ALA 1145CO 0.04 -0.25 -0.18 -1.64 0.00 0.00 0.00 175.76 173.73 1npe s MET 1146N 1.16 1.36 -0.20 0.00 -1.94 0.12 -0.52 119.30 119.29 1npe s MET 1146Ca 0.07 -0.74 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 1npe s MET 1146Cb -0.14 -1.37 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 1npe s MET 1146CO 0.05 0.36 0.30 0.34 -0.01 0.00 0.00 175.02 176.07 1npe s ASP 1147N -0.72 6.35 0.01 3.03 -1.08 -0.74 0.90 116.67 124.42 1npe s ASP 1147Ca 0.06 0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 52.46 1npe s ASP 1147Cb -0.08 -2.18 -0.02 0.00 -1.46 0.00 0.00 42.92 39.18 1npe s ASP 1147CO 0.00 0.01 1.06 -0.07 0.52 0.00 0.00 175.17 176.69 1npe h LEU 1148N 7.31 -0.15 0.02 -1.34 3.38 -1.65 -2.16 115.31 120.73 1npe h LEU 1148Ca -0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1npe h LEU 1148Cb 1.16 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1npe h LEU 1148CO 0.72 -0.07 -0.04 0.00 0.09 0.00 0.00 178.44 179.14 1npe h ALA 1149N -1.60 -0.67 0.00 1.53 0.00 -1.96 -2.73 119.26 113.82 1npe h ALA 1149Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1npe h ALA 1149Cb 0.09 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1npe h ALA 1149CO -0.01 -0.68 0.00 0.44 0.00 0.00 0.00 179.25 179.00 1npe n ILE 1150N -2.62 1.25 -3.99 0.00 -5.35 -1.26 -4.86 119.36 102.53 1npe n ILE 1150Ca -0.01 0.31 -0.29 0.00 -0.27 0.00 0.00 62.75 62.49 1npe n ILE 1150Cb 0.04 -1.19 -0.00 0.00 -1.74 0.00 0.00 39.64 36.75 1npe n ILE 1150CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1npe n SER 1151N -1.42 -2.35 -4.61 7.28 7.64 -0.81 -4.98 113.62 114.36 1npe n SER 1151Ca 0.02 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.72 1npe n SER 1151Cb 0.08 -3.30 -0.08 0.00 -1.01 0.00 0.00 64.21 59.90 1npe n SER 1151CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1npe s LYS 1152N -6.60 2.20 -0.53 1.43 2.20 -1.21 -4.96 119.74 112.26 1npe s LYS 1152Ca 0.37 -1.29 -0.22 0.00 -0.36 0.00 0.00 55.97 54.47 1npe s LYS 1152Cb -0.20 -2.19 0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1npe s LYS 1152CO 0.88 0.41 0.79 -2.00 -0.36 0.00 0.00 175.35 175.07 1npe s GLU 1153N -3.14 3.23 0.05 4.03 2.12 -1.26 -1.79 118.70 121.93 1npe s GLU 1153Ca 0.28 -0.58 -0.21 0.00 0.36 0.00 0.00 54.97 54.82 1npe s GLU 1153Cb -0.08 -4.08 -0.13 0.00 0.26 0.00 0.00 34.13 30.10 1npe s GLU 1153CO 0.17 -1.36 1.42 0.52 -0.54 0.00 0.00 175.26 175.48 1npe h MET 1154N 9.16 0.28 -2.33 4.30 2.86 -1.15 -3.49 114.93 124.55 1npe h MET 1154Ca -0.27 -0.11 0.14 0.00 -2.06 0.00 0.00 59.70 57.40 1npe h MET 1154Cb 1.08 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 1npe h MET 1154CO 1.03 0.57 0.48 0.34 1.06 0.00 0.00 176.91 180.39 1npe s ASP 1155N -5.88 -0.27 0.01 1.22 3.68 -1.13 -5.01 116.67 109.29 1npe s ASP 1155Ca -0.14 -0.21 0.00 0.00 2.13 0.00 0.00 52.55 54.33 1npe s ASP 1155Cb 0.05 0.45 -0.01 0.00 -1.45 0.00 0.00 42.92 41.96 1npe s ASP 1155CO 0.72 -0.78 -0.03 0.42 0.13 0.00 0.00 175.17 175.64 1npe s THR 1156N -3.23 0.14 -0.14 1.71 -4.23 -1.26 -0.93 115.64 107.71 1npe s THR 1156Ca 0.09 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1npe s THR 1156Cb -0.01 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.64 1npe s THR 1156CO -0.03 -0.25 -0.12 0.12 -0.54 0.00 0.00 174.62 173.80 1npe s PHE 1157N -0.79 1.99 -0.41 3.99 5.36 -0.20 -4.97 117.98 122.96 1npe s PHE 1157Ca -0.08 -1.10 -0.11 0.00 -0.96 0.00 0.00 56.93 54.69 1npe s PHE 1157Cb -0.06 -1.50 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 1npe s PHE 1157CO -0.00 -0.63 0.25 -1.01 -1.46 0.00 0.00 175.22 172.37 1npe s HIS 1158N 1.55 3.29 0.41 10.12 3.76 -1.26 -1.35 115.29 131.80 1npe s HIS 1158Ca 0.05 -1.25 -0.26 0.00 -0.15 0.00 0.00 55.06 53.45 1npe s HIS 1158Cb -0.13 -2.77 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 1npe s HIS 1158CO -0.10 -0.77 1.28 -1.25 -0.85 0.00 0.00 174.74 173.05 1npe s PRO 1159N 1.50 3.92 0.26 8.40 0.04 -1.26 -4.91 135.00 142.95 1npe s PRO 1159Ca 0.03 2.10 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 1npe s PRO 1159Cb -0.22 -2.70 0.52 0.00 0.04 0.00 0.00 34.50 32.14 1npe s PRO 1159CO 0.04 -0.51 1.77 0.45 0.04 0.00 0.00 177.00 178.79 1npe h HIS 1160N 2.58 0.78 -2.25 0.56 3.86 -1.97 -3.30 115.15 115.40 1npe h HIS 1160Ca -0.50 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.14 1npe h HIS 1160Cb 1.25 -0.22 -0.13 0.00 1.06 0.00 0.00 27.41 29.37 1npe h HIS 1160CO 0.53 0.21 0.91 0.21 0.86 0.00 0.00 177.93 180.64 1npe s LYS 1161N -5.98 3.31 -0.23 2.45 2.47 -1.26 -4.92 119.74 115.58 1npe s LYS 1161Ca -0.12 -0.90 -0.04 0.00 -1.56 0.00 0.00 55.97 53.35 1npe s LYS 1161Cb 0.21 -4.55 -0.15 0.00 -1.46 0.00 0.00 37.83 31.88 1npe s LYS 1161CO 0.78 -1.97 2.50 1.04 0.16 0.00 0.00 175.35 177.86 1npe n GLN 1162N 8.16 1.55 -2.72 4.03 6.02 -1.25 -4.90 117.38 128.27 1npe n GLN 1162Ca 0.10 -0.86 -0.22 0.00 -0.01 0.00 0.00 57.00 56.01 1npe n GLN 1162Cb 0.48 -1.97 0.03 0.00 1.02 0.00 0.00 30.24 29.80 1npe n GLN 1162CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1npe s THR 1163N 2.00 3.10 0.02 5.09 -4.23 -1.26 -5.01 115.64 115.34 1npe s THR 1163Ca 0.44 -0.57 -0.33 0.00 -1.18 0.00 0.00 61.69 60.05 1npe s THR 1163Cb 0.19 -3.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 1npe s THR 1163CO -0.01 -0.12 1.83 -1.14 -0.54 0.00 0.00 174.62 174.64 1npe n ARG 1164N -2.29 2.39 -3.19 3.99 3.00 -1.26 -4.96 116.66 114.33 1npe n ARG 1164Ca 0.06 0.87 -0.37 0.00 -0.00 0.00 0.00 57.85 58.41 1npe n ARG 1164Cb 0.59 -2.73 -0.06 0.00 0.00 0.00 0.00 32.46 30.26 1npe n ARG 1164CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1npe s LEU 1165N 3.27 4.43 0.00 6.15 1.43 -1.26 -4.09 118.68 128.61 1npe s LEU 1165Ca 0.88 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1npe s LEU 1165Cb -0.61 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1npe s LEU 1165CO 0.45 0.14 0.00 -1.22 0.23 0.00 0.00 176.35 175.95 1npe n TYR 1166N 1.13 0.00 -0.75 0.29 4.01 0.18 -4.81 117.16 117.21 1npe n TYR 1166Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.37 1npe n TYR 1166Cb 0.51 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.69 1npe n TYR 1166CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1npe n GLY 1167N 4.96 -0.56 3.19 2.72 0.00 0.12 -4.37 105.19 111.25 1npe n GLY 1167Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1npe n GLY 1167CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1npe s ILE 1168N -2.53 -0.00 0.14 -0.61 2.07 -1.26 -0.65 121.20 118.34 1npe s ILE 1168Ca 0.66 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.79 1npe s ILE 1168Cb -0.24 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 41.94 1npe s ILE 1168CO 0.58 0.00 0.34 0.28 -1.91 0.00 0.00 174.94 174.23 1npe s THR 1169N 0.24 0.08 -0.17 4.00 -1.32 0.07 -4.51 115.64 114.02 1npe s THR 1169Ca -0.01 -0.96 -0.02 0.00 -1.21 0.00 0.00 61.69 59.50 1npe s THR 1169Cb -0.03 -1.43 -0.01 0.00 -1.51 0.00 0.00 72.50 69.51 1npe s THR 1169CO -0.00 -0.37 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.32 1npe s ILE 1170N -3.87 3.32 -0.69 5.08 1.01 -1.26 -0.91 121.20 123.88 1npe s ILE 1170Ca 0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1npe s ILE 1170Cb 0.03 -2.45 0.07 0.00 0.01 0.00 0.00 42.46 40.12 1npe s ILE 1170CO -0.07 0.48 0.99 0.00 0.00 0.00 0.00 174.94 176.34 1npe s ALA 1171N 0.75 3.12 0.40 9.38 0.00 0.12 -4.80 121.76 130.72 1npe s ALA 1171Ca -0.04 -1.92 -0.23 0.00 0.00 0.00 0.00 51.96 49.78 1npe s ALA 1171Cb -0.15 -3.89 -0.10 0.00 0.00 0.00 0.00 23.12 18.97 1npe s ALA 1171CO 0.02 -2.82 0.97 -0.51 0.00 0.00 0.00 175.76 173.42 1npe s LEU 1172N 3.99 4.07 0.33 0.00 1.43 -1.26 -1.37 118.68 125.87 1npe s LEU 1172Ca 0.24 1.79 0.26 0.00 -1.03 0.00 0.00 54.13 55.39 1npe s LEU 1172Cb -0.15 -4.35 0.95 0.00 0.03 0.00 0.00 46.19 42.66 1npe s LEU 1172CO 0.08 -0.32 1.78 0.77 0.23 0.00 0.00 176.35 178.89 1npe h SER 1173N 2.31 0.00 -4.88 2.29 4.64 -1.95 -3.46 113.55 112.50 1npe h SER 1173Ca -0.48 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 1npe h SER 1173Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1npe h SER 1173CO 0.62 0.00 0.33 0.00 -0.87 0.00 0.00 176.83 176.91 1npe s GLN 1174N -3.33 1.13 0.00 4.77 -2.07 -1.26 -5.09 119.66 113.81 1npe s GLN 1174Ca 0.06 -0.44 0.10 0.00 -1.82 0.00 0.00 55.36 53.25 1npe s GLN 1174Cb 0.09 0.50 0.59 0.00 -1.09 0.00 0.00 33.01 33.11 1npe s GLN 1174CO 0.51 -0.50 1.03 0.00 -1.32 0.00 0.00 175.29 175.02