#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg7 s HIS 939 N 0.00 3.16 0.37 3.52 2.46 -1.07 -4.90 115.29 118.83 3kg7 s HIS 939 Ca 0.00 0.82 0.09 0.00 0.47 0.00 0.00 55.06 56.44 3kg7 s HIS 939 Cb 0.00 -3.79 0.84 0.00 -0.13 0.00 0.00 32.58 29.51 3kg7 s HIS 939 CO 0.00 -2.83 1.91 -0.09 -2.47 0.00 0.00 174.74 171.26 3kg7 h ARG 940 N 6.75 0.63 0.05 2.88 2.43 -1.93 0.94 114.38 126.14 3kg7 h ARG 940 Ca -0.42 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 3kg7 h ARG 940 Cb 1.21 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3kg7 h ARG 940 CO 0.88 0.42 -0.85 1.25 -1.51 0.00 0.00 179.97 180.17 3kg7 h LEU 941 N 0.65 0.17 0.00 3.80 5.85 -1.91 -3.40 115.31 120.47 3kg7 h LEU 941 Ca 0.39 -0.82 -0.20 0.00 0.84 0.00 0.00 57.88 58.08 3kg7 h LEU 941 Cb 0.60 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3kg7 h LEU 941 CO -0.15 1.36 -1.60 0.18 -0.34 0.00 0.00 178.44 177.89 3kg7 n LEU 942 N -4.30 0.73 0.00 2.25 4.77 -1.18 -5.07 117.00 114.20 3kg7 n LEU 942 Ca -0.21 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3kg7 n LEU 942 Cb 0.70 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3kg7 n LEU 942 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3kg7 n GLY 943 N 1.45 0.42 3.76 -0.72 0.00 0.32 -3.97 105.19 106.45 3kg7 n GLY 943 Ca -0.13 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 3kg7 n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kg7 s ASN 944 N -4.00 6.71 -0.16 1.61 0.01 -0.44 -2.59 114.94 116.08 3kg7 s ASN 944 Ca 0.00 0.84 -0.17 0.00 -0.71 0.00 0.00 52.86 52.83 3kg7 s ASN 944 Cb 0.00 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3kg7 s ASN 944 CO 0.00 0.13 0.42 -0.75 -1.51 0.00 0.00 177.10 175.39 3kg7 s LYS 945 N -0.02 4.26 -0.08 -0.60 2.20 -1.26 -1.25 119.74 122.99 3kg7 s LYS 945 Ca 0.24 0.30 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 3kg7 s LYS 945 Cb -0.16 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3kg7 s LYS 945 CO 0.11 0.09 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.90 3kg7 s LEU 946 N 0.88 1.55 -0.22 5.43 2.96 0.06 -5.00 118.68 124.33 3kg7 s LEU 946 Ca 0.22 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 3kg7 s LEU 946 Cb -0.15 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3kg7 s LEU 946 CO 0.08 -0.01 0.28 -1.61 -1.32 0.00 0.00 176.35 173.77 3kg7 s GLU 947 N 0.97 4.12 -0.13 1.98 2.02 -1.26 -0.81 118.70 125.58 3kg7 s GLU 947 Ca -0.09 -0.04 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 3kg7 s GLU 947 Cb -0.15 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 3kg7 s GLU 947 CO -0.00 0.01 1.03 -0.51 0.02 0.00 0.00 175.26 175.81 3kg7 s LEU 948 N 1.19 4.22 0.19 1.80 1.02 0.30 -4.93 118.68 122.47 3kg7 s LEU 948 Ca 0.13 1.52 -0.12 0.00 0.02 0.00 0.00 54.13 55.67 3kg7 s LEU 948 Cb -0.14 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.62 3kg7 s LEU 948 CO 0.06 -0.51 1.84 0.00 0.02 0.00 0.00 176.35 177.77 3kg7 h ALA 949 N 7.21 0.80 -0.03 4.21 0.00 -1.97 -2.32 119.26 127.16 3kg7 h ALA 949 Ca -0.28 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 3kg7 h ALA 949 Cb 1.13 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3kg7 h ALA 949 CO 0.89 0.25 -0.97 0.66 0.00 0.00 0.00 179.25 180.07 3kg7 h SER 950 N 0.85 0.84 0.00 0.00 4.64 -1.97 -3.38 113.55 114.53 3kg7 h SER 950 Ca 0.23 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3kg7 h SER 950 Cb -0.07 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.77 3kg7 h SER 950 CO -0.05 1.44 -1.27 0.35 -0.87 0.00 0.00 176.83 176.43 3kg7 n THR 951 N -3.85 0.00 -1.54 2.95 -2.24 -1.24 -5.00 114.28 103.35 3kg7 n THR 951 Ca -0.09 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 3kg7 n THR 951 Cb 0.85 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 3kg7 n THR 951 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kg7 n GLY 952 N 2.01 0.46 3.94 3.38 0.00 -0.87 -4.76 105.19 109.35 3kg7 n GLY 952 Ca -0.01 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 3kg7 n GLY 952 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg7 s GLN 953 N -3.16 2.99 -0.06 1.61 -0.21 -1.26 -4.22 119.66 115.36 3kg7 s GLN 953 Ca 0.00 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.12 3kg7 s GLN 953 Cb 0.00 -2.43 0.01 0.00 1.00 0.00 0.00 33.01 31.59 3kg7 s GLN 953 CO 0.00 -0.47 -0.12 0.99 -2.12 0.00 0.00 175.29 173.57 3kg7 s THR 954 N -2.75 1.13 -0.15 -0.19 2.01 -0.48 -0.54 115.64 114.67 3kg7 s THR 954 Ca 0.51 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3kg7 s THR 954 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 3kg7 s THR 954 CO 0.41 0.35 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.98 3kg7 s ILE 955 N 0.56 3.44 -0.26 1.82 -1.09 0.01 -0.23 121.20 125.44 3kg7 s ILE 955 Ca -0.12 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 57.72 3kg7 s ILE 955 Cb -0.15 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3kg7 s ILE 955 CO 0.03 0.50 0.06 -0.31 -1.23 0.00 0.00 174.94 173.99 3kg7 s TYR 956 N 0.50 3.09 -0.02 3.97 2.02 -0.26 -0.76 117.35 125.89 3kg7 s TYR 956 Ca -0.06 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 55.96 3kg7 s TYR 956 Cb -0.15 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 3kg7 s TYR 956 CO 0.03 -0.48 -0.18 -3.38 -1.57 0.00 0.00 175.55 169.98 3kg7 s HIS 957 N 1.55 1.68 0.18 2.71 -3.43 -0.38 -0.86 115.29 116.74 3kg7 s HIS 957 Ca 0.05 -0.38 -0.16 0.00 -0.80 0.00 0.00 55.06 53.77 3kg7 s HIS 957 Cb -0.16 -1.10 0.02 0.00 -1.43 0.00 0.00 32.58 29.91 3kg7 s HIS 957 CO 0.02 -0.08 0.46 1.14 -2.00 0.00 0.00 174.74 174.28 3kg7 s GLN 958 N -0.26 1.29 -0.35 -0.38 -2.07 -0.86 -1.33 119.66 115.70 3kg7 s GLN 958 Ca 0.03 -0.91 -0.16 0.00 -1.82 0.00 0.00 55.36 52.51 3kg7 s GLN 958 Cb -0.09 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 3kg7 s GLN 958 CO 0.00 -0.53 0.40 -0.51 -1.32 0.00 0.00 175.29 173.34 3kg7 s ASP 959 N -2.88 6.21 -0.19 12.60 1.01 -1.26 -0.62 116.67 131.54 3kg7 s ASP 959 Ca 0.10 -0.19 -0.21 0.00 0.71 0.00 0.00 52.55 52.96 3kg7 s ASP 959 Cb 0.00 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 3kg7 s ASP 959 CO -0.03 -0.38 0.62 -0.63 0.21 0.00 0.00 175.17 174.96 3kg7 s ILE 960 N 2.11 5.03 0.34 0.77 -1.09 -0.15 -4.81 121.20 123.40 3kg7 s ILE 960 Ca 0.13 1.18 -0.14 0.00 -2.23 0.00 0.00 60.65 59.59 3kg7 s ILE 960 Cb -0.16 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 3kg7 s ILE 960 CO 0.12 0.13 0.69 0.54 -1.23 0.00 0.00 174.94 175.18 3kg7 s ASN 961 N 1.16 0.11 0.52 3.58 2.20 -1.26 -1.19 114.94 120.06 3kg7 s ASN 961 Ca 0.29 -1.08 0.34 0.00 -0.94 0.00 0.00 52.86 51.47 3kg7 s ASN 961 Cb -0.16 0.77 1.62 0.00 -2.00 0.00 0.00 41.25 41.48 3kg7 s ASN 961 CO 0.11 -1.50 2.03 -0.07 -2.94 0.00 0.00 177.10 174.73 3kg7 h LEU 962 N 2.05 0.00 -0.00 3.54 3.38 -1.78 0.11 115.31 122.60 3kg7 h LEU 962 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3kg7 h LEU 962 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3kg7 h LEU 962 CO 0.36 0.00 -0.07 -1.13 0.09 0.00 0.00 178.44 177.69 3kg7 h ASN 963 N 0.00 0.07 -0.22 -0.43 -0.73 -1.94 -2.67 115.58 109.65 3kg7 h ASN 963 Ca 0.00 -0.79 -0.19 0.00 1.87 0.00 0.00 56.30 57.20 3kg7 h ASN 963 Cb 0.28 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.85 3kg7 h ASN 963 CO 0.00 0.84 -0.59 0.78 -0.37 0.00 0.00 177.43 178.09 3kg7 h ASN 964 N -0.71 0.90 -2.27 1.15 2.35 -1.81 -3.39 115.58 111.79 3kg7 h ASN 964 Ca -0.01 -0.58 -0.59 0.00 -0.55 0.00 0.00 56.30 54.58 3kg7 h ASN 964 Cb 0.85 -0.26 -0.40 0.00 0.05 0.00 0.00 38.32 38.56 3kg7 h ASN 964 CO 0.01 1.31 -0.82 1.41 -1.65 0.00 0.00 177.43 177.70 3kg7 n HIS 965 N -4.05 1.59 0.21 1.19 8.25 0.34 -4.95 115.22 117.80 3kg7 n HIS 965 Ca -0.06 -3.86 0.18 0.00 -0.26 0.00 0.00 57.72 53.72 3kg7 n HIS 965 Cb 0.65 -0.39 0.84 0.00 1.12 0.00 0.00 29.99 32.21 3kg7 n HIS 965 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kg7 h PRO 966 N 4.48 0.00 0.00 -0.41 0.13 -1.67 -2.45 132.00 132.07 3kg7 h PRO 966 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3kg7 h PRO 966 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kg7 h PRO 966 CO 0.63 0.00 -0.15 0.11 -0.23 0.00 0.00 178.00 178.36 3kg7 h TRP 967 N 0.00 0.00 -0.67 1.56 5.08 -1.93 -2.25 115.95 117.75 3kg7 h TRP 967 Ca 0.09 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.08 3kg7 h TRP 967 Cb 0.56 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.69 3kg7 h TRP 967 CO 0.00 0.15 0.44 0.82 -1.28 0.00 0.00 178.44 178.57 3kg7 h ILE 968 N 0.00 1.13 0.00 0.12 2.04 -1.80 0.32 117.51 119.32 3kg7 h ILE 968 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kg7 h ILE 968 Cb 0.31 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3kg7 h ILE 968 CO 0.02 0.15 0.00 1.23 0.00 0.00 0.00 178.15 179.55 3kg7 h GLY 969 N 0.84 0.00 -2.05 5.37 0.00 -1.60 -1.13 103.07 104.50 3kg7 h GLY 969 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3kg7 h GLY 969 CO -0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.69 3kg7 n ASP 970 N -2.56 3.21 -4.10 0.19 8.00 0.09 -4.61 116.55 116.78 3kg7 n ASP 970 Ca -0.01 -1.94 -0.36 0.00 0.71 0.00 0.00 54.79 53.18 3kg7 n ASP 970 Cb 0.10 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 3kg7 n ASP 970 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3kg7 s HIS 971 N -1.50 3.66 -0.27 1.24 2.46 -0.43 0.74 115.29 121.19 3kg7 s HIS 971 Ca 0.33 -2.88 -0.09 0.00 0.47 0.00 0.00 55.06 52.90 3kg7 s HIS 971 Cb 0.20 -3.22 -0.03 0.00 -0.13 0.00 0.00 32.58 29.41 3kg7 s HIS 971 CO 0.29 -0.78 0.12 1.03 -2.47 0.00 0.00 174.74 172.92 3kg7 s ARG 972 N -0.77 3.66 -0.15 2.88 0.52 -0.88 -1.88 118.95 122.33 3kg7 s ARG 972 Ca 0.23 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3kg7 s ARG 972 Cb -0.13 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 3kg7 s ARG 972 CO -0.09 -0.23 -0.03 0.08 0.02 0.00 0.00 175.30 175.05 3kg7 s VAL 973 N 1.65 3.95 -1.55 3.52 1.01 -0.59 -1.48 120.40 126.91 3kg7 s VAL 973 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 3kg7 s VAL 973 Cb -0.16 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.57 3kg7 s VAL 973 CO 0.06 0.50 0.69 -1.22 0.00 0.00 0.00 175.10 175.13 3kg7 n TYR 974 N 3.49 -1.83 -2.32 5.22 4.02 -0.54 -0.98 117.16 124.22 3kg7 n TYR 974 Ca -0.17 0.80 -0.14 0.00 -0.01 0.00 0.00 57.90 58.38 3kg7 n TYR 974 Cb 0.52 -3.51 -0.01 0.00 -0.02 0.00 0.00 39.34 36.32 3kg7 n TYR 974 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3kg7 n ASP 975 N -2.83 -4.30 -4.15 7.72 4.64 -1.26 -4.97 116.55 111.41 3kg7 n ASP 975 Ca -0.09 0.17 -0.31 0.00 -1.38 0.00 0.00 54.79 53.18 3kg7 n ASP 975 Cb 0.58 -3.66 -0.17 0.00 -1.04 0.00 0.00 41.12 36.83 3kg7 n ASP 975 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3kg7 s THR 976 N -2.66 1.87 -0.05 5.18 2.01 -0.15 -5.06 115.64 116.78 3kg7 s THR 976 Ca 0.00 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 3kg7 s THR 976 Cb 0.00 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.77 3kg7 s THR 976 CO 0.00 0.51 2.03 -2.65 -0.69 0.00 0.00 174.62 173.83 3kg7 n PRO 977 N 3.95 2.52 -4.37 4.92 -0.02 -1.26 -1.54 135.00 139.20 3kg7 n PRO 977 Ca -0.20 0.87 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 3kg7 n PRO 977 Cb 0.52 -3.01 -0.14 0.00 -0.02 0.00 0.00 33.50 30.85 3kg7 n PRO 977 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kg7 s VAL 978 N 5.46 0.90 -0.26 -1.45 0.11 -0.79 -0.95 120.40 123.42 3kg7 s VAL 978 Ca 0.93 -0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 58.99 3kg7 s VAL 978 Cb -0.45 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 3kg7 s VAL 978 CO 0.42 0.08 0.96 -0.63 -3.33 0.00 0.00 175.10 172.60 3kg7 s ILE 979 N -0.59 4.71 0.39 7.04 1.01 -0.63 -4.74 121.20 128.39 3kg7 s ILE 979 Ca 0.02 1.74 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 3kg7 s ILE 979 Cb -0.06 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 3kg7 s ILE 979 CO 0.00 -0.21 1.44 -2.16 0.00 0.00 0.00 174.94 174.01 3kg7 s PRO 980 N 3.15 4.01 0.24 2.79 0.04 -1.26 -4.58 135.00 139.39 3kg7 s PRO 980 Ca 0.40 2.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.85 3kg7 s PRO 980 Cb -0.14 -2.88 0.44 0.00 0.04 0.00 0.00 34.50 31.96 3kg7 s PRO 980 CO 0.09 -0.57 1.67 0.78 0.04 0.00 0.00 177.00 179.00 3kg7 h GLY 981 N 2.83 0.94 1.68 0.56 0.00 -1.96 -1.76 103.07 105.37 3kg7 h GLY 981 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kg7 h GLY 981 CO 0.63 -0.23 0.13 -0.39 0.00 0.00 0.00 176.54 176.69 3kg7 h VAL 982 N 0.21 0.00 -0.97 4.60 -1.51 -1.93 -1.80 116.25 114.84 3kg7 h VAL 982 Ca 0.41 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.97 3kg7 h VAL 982 Cb 0.70 0.52 -0.07 0.00 -2.13 0.00 0.00 31.29 30.31 3kg7 h VAL 982 CO -0.55 0.00 0.62 0.28 -1.23 0.00 0.00 177.57 176.70 3kg7 h SER 983 N 0.00 0.94 0.98 4.19 0.02 -1.59 -1.53 113.55 116.57 3kg7 h SER 983 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3kg7 h SER 983 Cb 0.26 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kg7 h SER 983 CO 0.00 0.56 -0.24 1.88 -1.14 0.00 0.00 176.83 177.89 3kg7 h TYR 984 N 1.04 0.00 -0.06 3.45 0.05 -1.53 -2.19 116.97 117.73 3kg7 h TYR 984 Ca 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.20 3kg7 h TYR 984 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 3kg7 h TYR 984 CO -0.00 0.24 -0.05 0.82 -1.05 0.00 0.00 178.16 178.12 3kg7 h ILE 985 N 0.00 1.36 0.00 -2.88 2.04 -1.47 -1.86 117.51 114.71 3kg7 h ILE 985 Ca -0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3kg7 h ILE 985 Cb 0.80 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3kg7 h ILE 985 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.50 3kg7 n ALA 986 N -2.37 0.81 0.00 1.87 0.00 -0.76 -0.46 120.51 119.60 3kg7 n ALA 986 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kg7 n ALA 986 Cb 0.29 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3kg7 n ALA 986 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kg7 n THR 988 N 0.51 0.00 0.03 0.00 -1.04 -0.70 -1.49 114.28 111.60 3kg7 n THR 988 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 3kg7 n THR 988 Cb 0.00 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.03 3kg7 n THR 988 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kg7 h LEU 989 N 0.00 0.29 -0.36 -4.42 3.38 -1.03 -1.04 115.31 112.12 3kg7 h LEU 989 Ca 0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3kg7 h LEU 989 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kg7 h LEU 989 CO 0.00 0.19 -0.82 0.00 0.09 0.00 0.00 178.44 177.90 3kg7 h ALA 990 N 1.79 0.64 -0.14 1.53 0.00 -1.51 -0.77 119.26 120.80 3kg7 h ALA 990 Ca 0.17 -0.74 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 3kg7 h ALA 990 Cb 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kg7 h ALA 990 CO -0.04 1.00 -0.81 0.00 0.00 0.00 0.00 179.25 179.41 3kg7 h ALA 991 N 1.16 0.29 0.00 0.00 0.00 -1.49 -3.36 119.26 115.86 3kg7 h ALA 991 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3kg7 h ALA 991 Cb 1.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3kg7 h ALA 991 CO 0.11 0.68 -2.00 1.33 0.00 0.00 0.00 179.25 179.37 3kg7 n VAL 992 N -3.93 0.12 0.00 0.00 0.24 -0.78 -5.11 118.33 108.87 3kg7 n VAL 992 Ca -0.08 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3kg7 n VAL 992 Cb 0.76 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3kg7 n VAL 992 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kg7 n GLY 993 N 1.34 -1.30 3.81 7.63 0.00 -0.30 -5.03 105.19 111.34 3kg7 n GLY 993 Ca -0.06 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 3kg7 n GLY 993 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kg7 s VAL 994 N -3.04 4.49 0.46 1.61 -7.23 -1.26 -4.21 120.40 111.23 3kg7 s VAL 994 Ca 0.00 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 3kg7 s VAL 994 Cb 0.00 -3.32 -0.08 0.00 0.56 0.00 0.00 36.38 33.54 3kg7 s VAL 994 CO 0.00 -0.15 1.41 -2.16 -0.31 0.00 0.00 175.10 173.89 3kg7 s PRO 995 N -3.25 3.63 0.04 4.82 0.04 -1.20 -4.92 135.00 134.16 3kg7 s PRO 995 Ca 0.31 2.39 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 3kg7 s PRO 995 Cb -0.10 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.90 3kg7 s PRO 995 CO 0.24 -0.85 0.61 0.00 0.04 0.00 0.00 177.00 177.03 3kg7 s ALA 996 N -1.22 -1.60 -0.02 8.56 0.00 -0.64 -4.76 121.76 122.09 3kg7 s ALA 996 Ca 0.62 0.87 0.06 0.00 0.00 0.00 0.00 51.96 53.51 3kg7 s ALA 996 Cb -0.43 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3kg7 s ALA 996 CO 0.55 -0.53 -0.20 0.00 0.00 0.00 0.00 175.76 175.58 3kg7 s ALA 997 N -2.31 1.65 -0.10 0.00 0.00 -1.26 -1.58 121.76 118.17 3kg7 s ALA 997 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3kg7 s ALA 997 Cb -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3kg7 s ALA 997 CO -0.00 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 176.05 3kg7 s VAL 998 N -0.45 1.71 0.24 0.00 1.01 -1.26 -0.92 120.40 120.73 3kg7 s VAL 998 Ca 0.07 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3kg7 s VAL 998 Cb -0.08 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3kg7 s VAL 998 CO -0.01 0.48 -0.06 -1.83 0.00 0.00 0.00 175.10 173.68 3kg7 s GLU 999 N 0.58 1.40 -1.18 2.72 -1.05 0.12 -4.31 118.70 116.98 3kg7 s GLU 999 Ca -0.15 -1.69 -0.22 0.00 -0.15 0.00 0.00 54.97 52.77 3kg7 s GLU 999 Cb -0.17 -0.95 0.00 0.00 -0.44 0.00 0.00 34.13 32.57 3kg7 s GLU 999 CO 0.05 0.03 0.73 -0.25 0.95 0.00 0.00 175.26 176.77 3kg7 n ASP 1000N -0.46 -4.57 -4.70 0.83 9.92 -0.48 -0.84 116.55 116.25 3kg7 n ASP 1000Ca -0.06 -1.08 -0.40 0.00 -0.53 0.00 0.00 54.79 52.72 3kg7 n ASP 1000Cb 0.63 -2.97 -0.05 0.00 -0.64 0.00 0.00 41.12 38.09 3kg7 n ASP 1000CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kg7 s ILE 1001N -3.53 5.04 -0.02 0.53 1.01 -0.27 -4.25 121.20 119.72 3kg7 s ILE 1001Ca 0.43 1.33 0.04 0.00 0.00 0.00 0.00 60.65 62.45 3kg7 s ILE 1001Cb -0.18 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3kg7 s ILE 1001CO 0.89 0.20 -0.15 0.20 0.00 0.00 0.00 174.94 176.08 3kg7 s ASN 1002N 0.92 1.80 -0.17 3.58 -0.87 0.22 -1.41 114.94 119.01 3kg7 s ASN 1002Ca 0.34 -0.28 -0.03 0.00 -1.57 0.00 0.00 52.86 51.32 3kg7 s ASN 1002Cb -0.17 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.25 40.78 3kg7 s ASN 1002CO 0.14 0.17 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.42 3kg7 s PHE 1003N -0.25 2.95 0.00 2.20 0.08 -0.68 -1.53 117.98 120.74 3kg7 s PHE 1003Ca 0.04 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.47 3kg7 s PHE 1003Cb -0.07 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 3kg7 s PHE 1003CO -0.00 -0.27 0.00 1.04 -0.10 0.00 0.00 175.22 175.89 3kg7 n GLN 1004N 4.01 0.00 -2.08 0.44 3.00 -0.67 -4.81 117.38 117.27 3kg7 n GLN 1004Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 3kg7 n GLN 1004Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.74 3kg7 n GLN 1004CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3kg7 s GLN 1005N 3.66 4.32 0.56 -1.09 -1.52 -1.18 -4.95 119.66 119.46 3kg7 s GLN 1005Ca 0.00 2.26 -0.18 0.00 -1.95 0.00 0.00 55.36 55.49 3kg7 s GLN 1005Cb 0.00 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 3kg7 s GLN 1005CO 0.00 -0.24 1.09 -1.25 -0.25 0.00 0.00 175.29 174.64 3kg7 s PRO 1006N -1.66 3.33 -0.46 2.91 0.04 -1.26 -4.19 135.00 133.72 3kg7 s PRO 1006Ca 0.50 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 3kg7 s PRO 1006Cb -0.41 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.14 3kg7 s PRO 1006CO 0.53 -0.83 0.78 -1.17 0.04 0.00 0.00 177.00 176.35 3kg7 s LEU 1007N -4.10 4.29 0.18 -3.56 0.20 -1.26 -5.02 118.68 109.41 3kg7 s LEU 1007Ca 0.68 -0.18 0.11 0.00 0.69 0.00 0.00 54.13 55.44 3kg7 s LEU 1007Cb -0.20 -2.92 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 3kg7 s LEU 1007CO 0.30 -0.92 -0.23 0.72 -0.29 0.00 0.00 176.35 175.93 3kg7 s PHE 1008N 3.27 2.34 -0.50 5.38 -0.12 -1.26 -1.61 117.98 125.48 3kg7 s PHE 1008Ca 0.29 -0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 56.77 3kg7 s PHE 1008Cb -0.13 -1.17 0.13 0.00 -0.63 0.00 0.00 43.02 41.22 3kg7 s PHE 1008CO 0.22 0.48 0.33 -0.51 -0.05 0.00 0.00 175.22 175.69 3kg7 s LEU 1009N -2.60 5.46 0.07 -1.99 1.43 -0.12 -4.99 118.68 115.94 3kg7 s LEU 1009Ca 0.20 -2.21 -0.36 0.00 -1.03 0.00 0.00 54.13 50.73 3kg7 s LEU 1009Cb -0.08 -1.91 -0.19 0.00 0.03 0.00 0.00 46.19 44.03 3kg7 s LEU 1009CO 0.10 -0.55 1.58 0.00 0.23 0.00 0.00 176.35 177.71 3kg7 h ALA 1010N 7.94 -1.19 -2.01 4.21 0.00 -1.94 -3.37 119.26 122.89 3kg7 h ALA 1010Ca -0.12 -0.24 -0.45 0.00 0.00 0.00 0.00 54.91 54.09 3kg7 h ALA 1010Cb 1.03 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3kg7 h ALA 1010CO 0.76 -1.18 -0.40 -1.21 0.00 0.00 0.00 179.25 177.22 3kg7 s GLU 1011N -5.98 3.26 0.60 0.00 0.41 -1.26 -4.94 118.70 110.79 3kg7 s GLU 1011Ca -0.19 -0.90 0.30 0.00 -0.41 0.00 0.00 54.97 53.78 3kg7 s GLU 1011Cb 0.03 -2.83 1.81 0.00 -1.78 0.00 0.00 34.13 31.36 3kg7 s GLU 1011CO 0.61 0.26 2.21 1.03 -0.49 0.00 0.00 175.26 178.88 3kg7 h SER 1012N 1.07 0.00 -0.27 -0.19 0.87 -2.05 -2.34 113.55 110.64 3kg7 h SER 1012Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3kg7 h SER 1012Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3kg7 h SER 1012CO 0.57 0.00 0.00 -0.46 -0.53 0.00 0.00 176.83 176.41 3kg7 n ASN 1013N -3.76 2.72 -4.70 6.23 6.94 -1.26 -4.63 115.26 116.80 3kg7 n ASN 1013Ca -0.02 -1.85 -0.44 0.00 -0.02 0.00 0.00 54.58 52.26 3kg7 n ASN 1013Cb 0.16 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 3kg7 n ASN 1013CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3kg7 n THR 1014N 0.66 0.26 -5.03 5.53 -1.04 -0.88 -5.00 114.28 108.78 3kg7 n THR 1014Ca 0.11 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 3kg7 n THR 1014Cb 0.40 -1.77 -0.17 0.00 -1.82 0.00 0.00 70.33 66.98 3kg7 n THR 1014CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kg7 s THR 1015N 0.77 1.76 -0.18 12.58 2.01 -1.26 -4.48 115.64 126.84 3kg7 s THR 1015Ca 0.74 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 3kg7 s THR 1015Cb -0.58 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.40 3kg7 s THR 1015CO 0.38 0.49 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.54 3kg7 s ARG 1016N 0.34 3.20 -0.13 4.92 0.52 -0.33 -0.67 118.95 126.79 3kg7 s ARG 1016Ca -0.15 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.03 3kg7 s ARG 1016Cb -0.16 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 3kg7 s ARG 1016CO 0.06 -0.09 1.34 -1.83 0.02 0.00 0.00 175.30 174.80 3kg7 s GLU 1017N 1.10 4.23 0.00 3.54 -1.05 -0.38 -0.98 118.70 125.16 3kg7 s GLU 1017Ca 0.00 1.77 0.05 0.00 -0.15 0.00 0.00 54.97 56.65 3kg7 s GLU 1017Cb -0.14 -3.79 -0.03 0.00 -0.44 0.00 0.00 34.13 29.73 3kg7 s GLU 1017CO -0.04 -0.71 -0.15 0.99 0.95 0.00 0.00 175.26 176.29 3kg7 s THR 1018N 3.49 3.02 -0.06 1.83 2.01 0.21 -2.01 115.64 124.12 3kg7 s THR 1018Ca 0.59 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3kg7 s THR 1018Cb -0.24 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3kg7 s THR 1018CO 0.18 0.43 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.40 3kg7 s GLN 1019N -1.20 0.95 0.27 4.92 -0.21 0.76 -2.03 119.66 123.12 3kg7 s GLN 1019Ca 0.14 -0.10 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3kg7 s GLN 1019Cb -0.11 -1.04 0.04 0.00 1.00 0.00 0.00 33.01 32.90 3kg7 s GLN 1019CO 0.04 -0.16 0.30 -0.11 -2.12 0.00 0.00 175.29 173.24 3kg7 n LEU 1020N 4.47 0.00 -3.15 2.90 0.00 -0.04 -1.03 117.00 120.16 3kg7 n LEU 1020Ca -0.18 -1.26 0.05 0.00 0.00 0.00 0.00 56.01 54.63 3kg7 n LEU 1020Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 43.42 43.79 3kg7 n LEU 1020CO 0.19 -0.52 0.55 -0.22 0.00 0.00 0.00 177.39 177.39 3kg7 s LEU 1022N 0.00 -0.51 0.62 -1.96 2.96 0.68 -1.10 118.68 119.37 3kg7 s LEU 1022Ca 0.23 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 3kg7 s LEU 1022Cb -0.02 1.41 -0.02 0.00 0.50 0.00 0.00 46.19 48.06 3kg7 s LEU 1022CO 0.14 -0.10 1.09 -1.00 -1.32 0.00 0.00 176.35 175.17 3kg7 s HIS 1023N 2.95 2.79 0.34 5.38 3.76 0.78 -1.38 115.29 129.91 3kg7 s HIS 1023Ca 0.05 1.53 -0.28 0.00 -0.15 0.00 0.00 55.06 56.22 3kg7 s HIS 1023Cb -0.09 -3.11 -0.10 0.00 1.11 0.00 0.00 32.58 30.40 3kg7 s HIS 1023CO -0.14 -1.42 1.23 -0.08 -0.85 0.00 0.00 174.74 173.47 3kg7 s THR 1024N -2.35 2.98 0.36 1.30 -1.32 -1.26 -4.41 115.64 110.94 3kg7 s THR 1024Ca 0.66 0.93 -0.28 0.00 -1.21 0.00 0.00 61.69 61.79 3kg7 s THR 1024Cb -0.19 -3.57 -0.11 0.00 -1.51 0.00 0.00 72.50 67.12 3kg7 s THR 1024CO 0.38 0.18 1.46 0.00 -2.21 0.00 0.00 174.62 174.44 3kg7 n ALA 1025N 0.64 2.18 -1.72 11.08 0.00 -1.26 -4.72 120.51 126.70 3kg7 n ALA 1025Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kg7 n ALA 1025Cb 0.44 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3kg7 n ALA 1025CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kg7 n ASP 1026N 0.68 0.00 -0.21 0.00 5.68 -0.51 -4.84 116.55 117.35 3kg7 n ASP 1026Ca 0.03 -0.98 0.01 0.00 -0.50 0.00 0.00 54.79 53.35 3kg7 n ASP 1026Cb 0.38 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.48 3kg7 n ASP 1026CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3kg7 h ASN 1027N 0.00 0.05 0.80 -1.12 2.35 -1.95 0.57 115.58 116.28 3kg7 h ASN 1027Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3kg7 h ASN 1027Cb 0.00 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3kg7 h ASN 1027CO 0.00 0.03 0.00 0.52 -1.65 0.00 0.00 177.43 176.33 3kg7 n VAL 1028N -5.11 0.58 -0.77 2.81 0.31 -1.26 -4.90 118.33 109.99 3kg7 n VAL 1028Ca 0.10 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3kg7 n VAL 1028Cb 0.33 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3kg7 n VAL 1028CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kg7 n GLY 1029N 0.67 0.60 3.84 2.92 0.00 0.19 -4.75 105.19 108.66 3kg7 n GLY 1029Ca 0.05 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3kg7 n GLY 1029CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg7 s LYS 1030N -0.46 4.08 -0.22 1.61 1.02 -1.26 -4.34 119.74 120.16 3kg7 s LYS 1030Ca 0.00 0.73 -0.03 0.00 0.02 0.00 0.00 55.97 56.69 3kg7 s LYS 1030Cb 0.00 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3kg7 s LYS 1030CO 0.00 0.23 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.94 3kg7 s GLN 1031N -2.68 3.22 0.31 1.68 -0.21 -1.02 -1.43 119.66 119.54 3kg7 s GLN 1031Ca 0.51 -0.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.89 3kg7 s GLN 1031Cb -0.12 -2.95 -0.09 0.00 1.00 0.00 0.00 33.01 30.84 3kg7 s GLN 1031CO 0.18 -0.24 1.00 0.12 -2.12 0.00 0.00 175.29 174.24 3kg7 s PHE 1032N 1.43 3.65 -0.04 0.91 5.36 -1.26 -0.53 117.98 127.50 3kg7 s PHE 1032Ca 0.05 1.77 0.03 0.00 -0.96 0.00 0.00 56.93 57.82 3kg7 s PHE 1032Cb -0.14 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 3kg7 s PHE 1032CO -0.05 -0.08 -0.13 0.08 -1.46 0.00 0.00 175.22 173.58 3kg7 s VAL 1033N -1.42 1.11 -0.00 3.12 1.01 -1.26 -0.15 120.40 122.81 3kg7 s VAL 1033Ca 0.48 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3kg7 s VAL 1033Cb -0.24 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3kg7 s VAL 1033CO 0.31 0.33 -0.10 -1.61 0.00 0.00 0.00 175.10 174.03 3kg7 s GLU 1034N 0.16 0.77 -0.16 2.72 2.02 -1.26 -4.26 118.70 118.69 3kg7 s GLU 1034Ca -0.04 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3kg7 s GLU 1034Cb -0.10 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.40 3kg7 s GLU 1034CO 0.01 0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.39 3kg7 s VAL 1035N -0.34 2.35 0.14 2.63 1.01 -0.40 -4.27 120.40 121.52 3kg7 s VAL 1035Ca 0.03 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.23 3kg7 s VAL 1035Cb -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3kg7 s VAL 1035CO -0.00 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.05 3kg7 s PHE 1036N 0.92 1.94 0.15 5.22 0.08 -0.20 -0.45 117.98 125.65 3kg7 s PHE 1036Ca -0.04 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3kg7 s PHE 1036Cb -0.15 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 3kg7 s PHE 1036CO -0.03 0.31 0.14 -1.54 -0.10 0.00 0.00 175.22 174.00 3kg7 s SER 1037N -2.29 0.20 0.09 1.36 1.04 -0.18 -0.17 113.70 113.76 3kg7 s SER 1037Ca 0.13 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.39 3kg7 s SER 1037Cb -0.08 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3kg7 s SER 1037CO 0.06 -0.80 0.14 0.00 0.98 0.00 0.00 173.24 173.63 3kg7 s ARG 1038N -4.03 0.82 0.26 4.02 1.70 -0.85 -0.34 118.95 120.53 3kg7 s ARG 1038Ca 0.23 -1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 54.13 3kg7 s ARG 1038Cb 0.06 0.31 -0.11 0.00 -0.57 0.00 0.00 34.95 34.64 3kg7 s ARG 1038CO 0.02 -0.24 1.61 0.34 -1.08 0.00 0.00 175.30 175.94 3kg7 s ASP 1039N -2.89 6.42 0.16 -2.89 2.15 -1.26 -1.24 116.67 117.11 3kg7 s ASP 1039Ca 0.07 2.88 -0.13 0.00 0.43 0.00 0.00 52.55 55.81 3kg7 s ASP 1039Cb 0.06 -2.62 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 3kg7 s ASP 1039CO -0.09 -0.90 1.69 1.23 -0.17 0.00 0.00 175.17 176.93 3kg7 h GLY 1040N 5.46 0.91 0.05 2.66 0.00 -1.24 -3.09 103.07 107.82 3kg7 h GLY 1040Ca -0.46 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 3kg7 h GLY 1040CO 0.84 0.50 -0.02 0.00 0.00 0.00 0.00 176.54 177.86 3kg7 h ALA 1041N 1.04 -0.28 0.00 3.60 0.00 -1.92 -3.37 119.26 118.33 3kg7 h ALA 1041Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kg7 h ALA 1041Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kg7 h ALA 1041CO -0.01 -0.27 0.00 1.63 0.00 0.00 0.00 179.25 180.60 3kg7 n LYS 1042N -2.55 0.09 -4.13 0.00 4.01 -1.26 -4.87 118.16 109.45 3kg7 n LYS 1042Ca -0.01 0.46 -0.28 0.00 -0.51 0.00 0.00 58.31 57.97 3kg7 n LYS 1042Cb 0.03 -1.72 -0.06 0.00 -0.51 0.00 0.00 35.03 32.77 3kg7 n LYS 1042CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3kg7 n GLN 1043N -1.89 -2.19 -0.31 1.97 1.13 -1.17 -4.96 117.38 109.96 3kg7 n GLN 1043Ca 0.01 0.26 -0.11 0.00 -1.94 0.00 0.00 57.00 55.21 3kg7 n GLN 1043Cb 0.11 -4.11 0.10 0.00 0.11 0.00 0.00 30.24 26.45 3kg7 n GLN 1043CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3kg7 n GLU 1044N -4.48 -2.12 -2.72 -1.09 0.28 -1.26 -5.02 120.64 104.22 3kg7 n GLU 1044Ca -0.31 -0.63 -0.35 0.00 -0.16 0.00 0.00 57.16 55.72 3kg7 n GLU 1044Cb 0.69 -0.63 -0.06 0.00 1.43 0.00 0.00 31.44 32.86 3kg7 n GLU 1044CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kg7 s GLU 1045N -3.89 4.22 0.26 3.44 2.56 -1.26 -4.81 118.70 119.22 3kg7 s GLU 1045Ca 0.26 1.27 -0.30 0.00 0.00 0.00 0.00 54.97 56.20 3kg7 s GLU 1045Cb -0.03 -2.36 -0.10 0.00 2.00 0.00 0.00 34.13 33.64 3kg7 s GLU 1045CO 0.20 -0.05 1.46 -1.58 -0.56 0.00 0.00 175.26 174.74 3kg7 s TRP 1046N -1.94 2.96 -0.08 5.30 0.52 -1.26 -4.75 118.94 119.70 3kg7 s TRP 1046Ca 0.60 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.74 3kg7 s TRP 1046Cb -0.15 -3.86 -0.02 0.00 -1.15 0.00 0.00 33.47 28.29 3kg7 s TRP 1046CO 0.19 -2.81 -0.14 -0.65 0.02 0.00 0.00 176.95 173.56 3kg7 s GLN 1047N -0.49 2.84 0.12 4.98 -0.21 0.54 -4.96 119.66 122.49 3kg7 s GLN 1047Ca 0.59 -0.69 -0.19 0.00 0.02 0.00 0.00 55.36 55.10 3kg7 s GLN 1047Cb -0.43 -2.48 -0.07 0.00 1.00 0.00 0.00 33.01 31.03 3kg7 s GLN 1047CO 0.45 0.47 0.61 -1.14 -2.12 0.00 0.00 175.29 173.55 3kg7 s GLN 1048N -0.32 4.19 -0.03 2.91 0.74 -1.26 -1.01 119.66 124.87 3kg7 s GLN 1048Ca 0.03 0.73 0.03 0.00 0.05 0.00 0.00 55.36 56.21 3kg7 s GLN 1048Cb -0.13 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 3kg7 s GLN 1048CO 0.02 0.56 0.02 0.72 -0.55 0.00 0.00 175.29 176.06 3kg7 n HIS 1049N 1.32 0.00 -3.50 1.67 8.25 0.41 -3.11 115.22 120.26 3kg7 n HIS 1049Ca -0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 3kg7 n HIS 1049Cb 0.51 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 3kg7 n HIS 1049CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg7 s ALA 1050N -2.12 -1.65 0.10 -1.41 0.00 -1.17 -1.67 121.76 113.85 3kg7 s ALA 1050Ca -0.02 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 3kg7 s ALA 1050Cb 0.01 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3kg7 s ALA 1050CO 0.15 -0.51 0.08 -1.54 0.00 0.00 0.00 175.76 173.95 3kg7 s SER 1051N -1.76 0.30 -0.04 0.00 1.04 -0.58 -1.27 113.70 111.38 3kg7 s SER 1051Ca -0.07 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.39 3kg7 s SER 1051Cb -0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3kg7 s SER 1051CO 0.01 -0.71 -0.11 -0.44 0.98 0.00 0.00 173.24 172.97 3kg7 s SER 1053N -2.96 1.54 -0.18 7.02 0.01 -0.02 -0.61 113.70 118.49 3kg7 s SER 1053Ca 0.14 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.90 3kg7 s SER 1053Cb 0.07 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 3kg7 s SER 1053CO -0.04 0.08 0.88 -0.69 0.41 0.00 0.00 173.24 173.87 3kg7 s VAL 1054N 0.28 4.83 0.59 3.43 1.01 0.31 0.15 120.40 131.00 3kg7 s VAL 1054Ca -0.06 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 3kg7 s VAL 1054Cb -0.11 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3kg7 s VAL 1054CO 0.01 -0.02 1.31 -0.55 0.00 0.00 0.00 175.10 175.85 3kg7 s SER 1055N 1.19 5.05 0.38 3.32 0.15 -0.10 -2.42 113.70 121.27 3kg7 s SER 1055Ca 0.40 2.64 0.06 0.00 0.70 0.00 0.00 55.95 59.75 3kg7 s SER 1055Cb -0.16 -2.62 0.75 0.00 -1.71 0.00 0.00 66.02 62.27 3kg7 s SER 1055CO 0.11 -1.71 1.98 1.05 1.20 0.00 0.00 173.24 175.87 3kg7 h GLU 1056N 1.07 0.53 -4.33 5.44 9.09 -1.86 -3.42 114.58 121.10 3kg7 h GLU 1056Ca -0.51 -0.07 -0.45 0.00 0.05 0.00 0.00 59.36 58.39 3kg7 h GLU 1056Cb 1.31 -0.10 -0.33 0.00 -1.65 0.00 0.00 28.75 27.98 3kg7 h GLU 1056CO 0.56 0.44 -0.79 0.54 0.05 0.00 0.00 179.01 179.81 3kg7 s ASN 1057N -6.71 1.29 0.91 3.06 4.22 -1.26 -4.97 114.94 111.48 3kg7 s ASN 1057Ca -0.08 -0.20 -0.11 0.00 -2.14 0.00 0.00 52.86 50.33 3kg7 s ASN 1057Cb 0.17 -0.57 0.14 0.00 1.28 0.00 0.00 41.25 42.27 3kg7 s ASN 1057CO 0.75 0.00 1.11 -2.16 -2.04 0.00 0.00 177.10 174.76 3kg7 s PRO 1058N 0.67 1.10 0.56 3.55 0.04 -1.26 -4.68 135.00 134.98 3kg7 s PRO 1058Ca -0.11 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 61.99 3kg7 s PRO 1058Cb -0.14 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 3kg7 s PRO 1058CO 0.02 -2.48 1.24 -1.25 0.04 0.00 0.00 177.00 174.56 3kg7 s PRO 1059N -4.73 3.16 0.54 0.56 0.04 -1.26 -4.93 135.00 128.39 3kg7 s PRO 1059Ca 0.65 1.92 -0.20 0.00 0.04 0.00 0.00 61.00 63.41 3kg7 s PRO 1059Cb -0.21 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3kg7 s PRO 1059CO 0.58 -1.08 1.20 -1.25 0.04 0.00 0.00 177.00 176.50 3kg7 s PRO 1060N -3.09 3.29 -0.06 0.56 0.04 -1.26 -4.90 135.00 129.57 3kg7 s PRO 1060Ca 0.73 1.83 -0.37 0.00 0.04 0.00 0.00 61.00 63.23 3kg7 s PRO 1060Cb -0.33 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 3kg7 s PRO 1060CO 0.37 -0.95 1.61 -2.30 0.04 0.00 0.00 177.00 175.77 3kg7 n PRO 1061N -1.15 1.48 -1.59 0.56 -0.02 -1.26 -4.84 135.00 128.19 3kg7 n PRO 1061Ca 0.11 0.54 -0.48 0.00 -2.02 0.00 0.00 63.50 61.65 3kg7 n PRO 1061Cb 0.49 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3kg7 n PRO 1061CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kg7 n PRO 1062N 4.37 1.29 -0.00 0.52 -0.04 -1.26 -4.91 135.00 134.97 3kg7 n PRO 1062Ca 0.22 0.46 -0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3kg7 n PRO 1062Cb 0.20 -1.96 -0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3kg7 n PRO 1062CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kg7 n THR 1063N 1.38 0.03 -2.67 0.52 -2.24 -1.26 -5.04 114.28 105.00 3kg7 n THR 1063Ca 0.14 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 3kg7 n THR 1063Cb 0.26 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 3kg7 n THR 1063CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kg7 s LEU 1064N -4.54 4.05 -0.01 3.22 1.02 -1.26 -4.98 118.68 116.17 3kg7 s LEU 1064Ca -0.00 1.87 -0.16 0.00 0.02 0.00 0.00 54.13 55.86 3kg7 s LEU 1064Cb 0.00 -4.35 0.03 0.00 0.02 0.00 0.00 46.19 41.89 3kg7 s LEU 1064CO 0.01 -0.45 0.33 -0.55 0.02 0.00 0.00 176.35 175.72 3kg7 s SER 1065N -1.85 -0.21 0.10 2.29 0.15 -1.26 -1.86 113.70 111.06 3kg7 s SER 1065Ca 0.60 0.09 0.10 0.00 0.70 0.00 0.00 55.95 57.44 3kg7 s SER 1065Cb -0.16 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 3kg7 s SER 1065CO 0.21 -0.48 -0.26 -0.69 1.20 0.00 0.00 173.24 173.22 3kg7 s VAL 1066N -1.45 2.26 -0.57 4.45 1.01 0.45 -4.92 120.40 121.63 3kg7 s VAL 1066Ca -0.13 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.01 3kg7 s VAL 1066Cb -0.04 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.43 3kg7 s VAL 1066CO 0.04 0.18 0.82 -0.62 0.00 0.00 0.00 175.10 175.51 3kg7 s ASP 1067N -1.80 6.24 0.07 3.32 3.68 -1.26 -3.98 116.67 122.94 3kg7 s ASP 1067Ca 0.13 -0.83 -0.24 0.00 2.13 0.00 0.00 52.55 53.74 3kg7 s ASP 1067Cb -0.10 -2.37 -0.16 0.00 -1.45 0.00 0.00 42.92 38.84 3kg7 s ASP 1067CO 0.05 -1.16 1.64 0.40 0.13 0.00 0.00 175.17 176.23 3kg7 h ILE 1068N 5.95 1.01 -0.41 4.11 1.08 -1.92 -0.46 117.51 126.87 3kg7 h ILE 1068Ca -0.28 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 3kg7 h ILE 1068Cb 1.08 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 3kg7 h ILE 1068CO 1.08 0.05 0.12 1.55 -0.69 0.00 0.00 178.15 180.26 3kg7 h PRO 1069N -0.16 0.60 -0.06 2.37 0.13 -1.95 0.22 132.00 133.16 3kg7 h PRO 1069Ca -0.01 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 64.89 3kg7 h PRO 1069Cb 0.14 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3kg7 h PRO 1069CO 0.01 0.54 -0.56 0.00 -0.23 0.00 0.00 178.00 177.76 3kg7 h ALA 1070N 1.54 0.95 -0.26 -0.56 0.00 -1.93 0.15 119.26 119.14 3kg7 h ALA 1070Ca 0.14 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3kg7 h ALA 1070Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kg7 h ALA 1070CO -0.01 0.70 -0.59 1.25 0.00 0.00 0.00 179.25 180.61 3kg7 h LEU 1071N 0.14 0.95 -1.23 0.00 5.85 -0.34 -3.17 115.31 117.52 3kg7 h LEU 1071Ca -0.00 -0.53 -0.06 0.00 0.84 0.00 0.00 57.88 58.13 3kg7 h LEU 1071Cb 1.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3kg7 h LEU 1071CO 0.08 1.33 -0.27 0.00 -0.34 0.00 0.00 178.44 179.24 3kg7 h GLU 1073N 0.00 0.00 0.00 0.00 5.08 -0.68 -3.14 114.58 115.84 3kg7 h GLU 1073Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kg7 h GLU 1073Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3kg7 h GLU 1073CO 0.04 0.00 -0.24 0.94 -1.00 0.00 0.00 179.01 178.74 3kg7 n GLN 1074N -2.30 1.13 -4.50 2.33 -0.06 -1.07 -5.02 117.38 107.90 3kg7 n GLN 1074Ca 0.03 -2.54 -0.23 0.00 -2.00 0.00 0.00 57.00 52.25 3kg7 n GLN 1074Cb 0.27 -1.33 -0.14 0.00 -4.06 0.00 0.00 30.24 24.99 3kg7 n GLN 1074CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kg7 s LEU 1075N -2.47 2.18 -0.24 1.69 1.43 -1.12 -4.93 118.68 115.23 3kg7 s LEU 1075Ca 0.30 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 3kg7 s LEU 1075Cb 0.27 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3kg7 s LEU 1075CO -0.01 0.10 0.91 -0.60 0.23 0.00 0.00 176.35 176.99 3kg7 s ARG 1076N -1.23 4.21 0.67 1.70 3.52 -0.45 -4.85 118.95 122.52 3kg7 s ARG 1076Ca 0.05 1.11 -0.17 0.00 -0.13 0.00 0.00 55.73 56.59 3kg7 s ARG 1076Cb -0.09 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3kg7 s ARG 1076CO 0.02 -0.56 1.24 -1.25 -0.81 0.00 0.00 175.30 173.94 3kg7 s PRO 1077N 2.99 2.48 -0.05 5.12 0.04 -1.26 -0.07 135.00 144.25 3kg7 s PRO 1077Ca 0.39 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.36 3kg7 s PRO 1077Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3kg7 s PRO 1077CO 0.07 -1.61 -0.14 -1.17 0.04 0.00 0.00 177.00 174.19 3kg7 s LEU 1078N -4.59 1.80 0.29 -3.56 2.96 0.24 -4.79 118.68 111.02 3kg7 s LEU 1078Ca 0.79 -0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 3kg7 s LEU 1078Cb -0.33 -0.84 -0.09 0.00 0.50 0.00 0.00 46.19 45.42 3kg7 s LEU 1078CO 0.40 0.09 1.05 -0.62 -1.32 0.00 0.00 176.35 175.96 3kg7 s ASP 1079N 0.29 7.29 0.24 3.68 2.15 -1.26 -4.29 116.67 124.78 3kg7 s ASP 1079Ca -0.08 2.15 0.02 0.00 0.43 0.00 0.00 52.55 55.08 3kg7 s ASP 1079Cb -0.13 -2.62 0.29 0.00 -0.30 0.00 0.00 42.92 40.17 3kg7 s ASP 1079CO 0.03 -0.12 1.61 0.71 -0.17 0.00 0.00 175.17 177.23 3kg7 h THR 1080N 2.98 1.32 -0.88 1.71 1.35 -1.97 -2.74 112.91 114.68 3kg7 h THR 1080Ca -0.47 -1.66 0.14 0.00 -0.55 0.00 0.00 66.41 63.88 3kg7 h THR 1080Cb 1.21 1.71 -0.09 0.00 -1.73 0.00 0.00 68.15 69.24 3kg7 h THR 1080CO 0.66 0.51 0.49 0.44 -0.25 0.00 0.00 175.52 177.37 3kg7 h ASP 1081N 0.32 0.63 -0.98 5.36 3.32 -1.99 -0.58 116.42 122.51 3kg7 h ASP 1081Ca 0.02 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3kg7 h ASP 1081Cb 0.93 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 3kg7 h ASP 1081CO 0.08 0.29 0.64 0.74 -1.72 0.00 0.00 179.24 179.27 3kg7 h THR 1082N 0.72 1.15 -0.11 0.35 2.02 -1.89 -1.87 112.91 113.28 3kg7 h THR 1082Ca 0.47 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 3kg7 h THR 1082Cb 0.61 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3kg7 h THR 1082CO -0.33 0.22 -0.56 -0.07 0.37 0.00 0.00 175.52 175.15 3kg7 h LEU 1083N 1.22 0.69 -1.15 2.58 3.38 -1.35 -3.06 115.31 117.62 3kg7 h LEU 1083Ca 0.40 -0.64 0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kg7 h LEU 1083Cb 0.03 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 3kg7 h LEU 1083CO -0.13 1.22 0.60 0.74 0.09 0.00 0.00 178.44 180.95 3kg7 h THR 1084N 0.21 0.88 -0.45 0.22 2.02 -0.77 -1.13 112.91 113.89 3kg7 h THR 1084Ca -0.04 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 3kg7 h THR 1084Cb 1.20 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3kg7 h THR 1084CO 0.12 0.15 -0.17 -0.33 0.37 0.00 0.00 175.52 175.66 3kg7 h GLU 1085N 0.85 0.87 -0.31 6.66 5.08 -1.36 -0.73 114.58 125.63 3kg7 h GLU 1085Ca 0.47 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3kg7 h GLU 1085Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3kg7 h GLU 1085CO -0.23 0.98 0.11 0.82 -1.00 0.00 0.00 179.01 179.69 3kg7 h ILE 1086N 0.77 1.19 -0.21 3.13 2.04 -1.13 -1.31 117.51 121.99 3kg7 h ILE 1086Ca 0.11 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kg7 h ILE 1086Cb 0.70 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3kg7 h ILE 1086CO 0.05 0.21 0.13 1.88 0.00 0.00 0.00 178.15 180.42 3kg7 h TYR 1087N 0.36 0.27 -0.51 1.37 0.05 -1.21 -2.09 116.97 115.20 3kg7 h TYR 1087Ca 0.10 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.99 3kg7 h TYR 1087Cb 0.21 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3kg7 h TYR 1087CO 0.00 0.18 0.35 0.00 -1.05 0.00 0.00 178.16 177.65 3kg7 h ALA 1088N 1.06 2.17 0.00 3.88 0.00 -0.64 0.12 119.26 125.85 3kg7 h ALA 1088Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kg7 h ALA 1088Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kg7 h ALA 1088CO -0.02 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 3kg7 n SER 1089N -4.45 0.76 -1.22 0.00 3.41 -0.51 -1.87 113.62 109.74 3kg7 n SER 1089Ca 0.08 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.32 3kg7 n SER 1089Cb 0.42 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 63.83 3kg7 n SER 1089CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kg7 n ILE 1090N -2.25 2.51 -3.17 -1.33 -5.35 -0.20 -3.51 119.36 106.06 3kg7 n ILE 1090Ca 0.04 -2.02 -0.21 0.00 -0.27 0.00 0.00 62.75 60.29 3kg7 n ILE 1090Cb 0.37 -0.30 0.05 0.00 -1.74 0.00 0.00 39.64 38.02 3kg7 n ILE 1090CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3kg7 n SER 1091N -0.56 -5.88 -4.24 7.28 2.88 -0.78 -3.63 113.62 108.68 3kg7 n SER 1091Ca 0.29 -0.35 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 3kg7 n SER 1091Cb 1.05 -4.63 -0.17 0.00 -0.75 0.00 0.00 64.21 59.71 3kg7 n SER 1091CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3kg7 s LEU 1092N -6.41 2.18 -0.05 2.46 2.96 0.26 -1.47 118.68 118.62 3kg7 s LEU 1092Ca 0.38 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3kg7 s LEU 1092Cb -0.17 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.11 3kg7 s LEU 1092CO 0.47 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.96 3kg7 s VAL 1093N 0.35 0.33 -0.34 1.68 1.01 -0.55 -2.20 120.40 120.68 3kg7 s VAL 1093Ca -0.18 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 3kg7 s VAL 1093Cb -0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3kg7 s VAL 1093CO 0.08 0.20 0.33 -0.31 0.00 0.00 0.00 175.10 175.40 3kg7 s TYR 1094N 1.28 3.22 0.87 5.22 1.51 -1.26 -2.06 117.35 126.12 3kg7 s TYR 1094Ca -0.06 -0.05 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 3kg7 s TYR 1094Cb -0.13 -2.61 0.14 0.00 -0.11 0.00 0.00 41.96 39.24 3kg7 s TYR 1094CO -0.02 -0.40 1.23 0.20 -1.11 0.00 0.00 175.55 175.45 3kg7 s GLY 1095N 1.73 1.70 0.00 0.71 0.00 0.23 -4.74 107.32 106.94 3kg7 s GLY 1095Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3kg7 s GLY 1095CO 0.11 -0.36 0.00 -1.55 0.00 0.00 0.00 173.10 171.30 3kg7 n PRO 1096N -3.48 0.00 0.00 2.90 -0.04 -1.26 -2.21 135.00 130.91 3kg7 n PRO 1096Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3kg7 n PRO 1096Cb 0.60 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 3kg7 n PRO 1096CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kg7 n LEU 1098N 0.50 0.00 -4.45 1.53 7.99 -1.26 -4.54 117.00 116.77 3kg7 n LEU 1098Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.59 3kg7 n LEU 1098Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 3kg7 n LEU 1098CO 0.00 0.00 2.01 0.00 -1.51 0.00 0.00 177.39 177.89 3kg7 n GLN 1099N 0.00 2.90 0.00 3.23 6.02 -0.94 -4.61 117.38 123.98 3kg7 n GLN 1099Ca 0.00 -3.05 0.09 0.00 -0.01 0.00 0.00 57.00 54.03 3kg7 n GLN 1099Cb 0.00 -3.49 -0.09 0.00 1.02 0.00 0.00 30.24 27.68 3kg7 n GLN 1099CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kg7 n ALA 1100N 8.90 4.29 -2.78 -1.58 0.00 -1.26 -4.46 120.51 123.61 3kg7 n ALA 1100Ca 0.49 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3kg7 n ALA 1100Cb 0.45 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 3kg7 n ALA 1100CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kg7 s VAL 1101N -2.70 4.45 0.01 0.00 1.01 -1.26 -1.06 120.40 120.84 3kg7 s VAL 1101Ca 0.09 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 3kg7 s VAL 1101Cb 0.15 -4.57 -0.19 0.00 0.00 0.00 0.00 36.38 31.77 3kg7 s VAL 1101CO 0.73 -1.22 1.19 -0.09 0.00 0.00 0.00 175.10 175.71 3kg7 h ARG 1102N 9.37 0.37 -3.01 2.72 2.43 -1.15 -3.47 114.38 121.64 3kg7 h ARG 1102Ca -0.28 -0.30 -0.13 0.00 -0.81 0.00 0.00 59.98 58.46 3kg7 h ARG 1102Cb 1.08 0.06 -0.22 0.00 -0.42 0.00 0.00 29.97 30.46 3kg7 h ARG 1102CO 1.11 0.94 -0.31 -1.14 -1.51 0.00 0.00 179.97 179.06 3kg7 s GLN 1103N -3.65 0.53 -0.03 0.20 2.00 -1.15 -5.01 119.66 112.56 3kg7 s GLN 1103Ca -0.14 0.09 0.03 0.00 -2.00 0.00 0.00 55.36 53.35 3kg7 s GLN 1103Cb 0.04 0.24 -0.00 0.00 0.80 0.00 0.00 33.01 34.09 3kg7 s GLN 1103CO 0.78 -0.12 -0.12 0.00 -0.50 0.00 0.00 175.29 175.33 3kg7 s ALA 1104N -0.65 1.11 0.15 1.58 0.00 -1.26 -0.24 121.76 122.44 3kg7 s ALA 1104Ca -0.07 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.50 3kg7 s ALA 1104Cb -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3kg7 s ALA 1104CO 0.02 0.20 -0.23 -1.58 0.00 0.00 0.00 175.76 174.18 3kg7 s TRP 1105N 0.06 2.06 -0.03 0.00 0.51 0.38 -0.59 118.94 121.33 3kg7 s TRP 1105Ca -0.02 -0.40 -0.02 0.00 -2.12 0.00 0.00 56.10 53.53 3kg7 s TRP 1105Cb -0.09 -1.07 0.01 0.00 -0.81 0.00 0.00 33.47 31.51 3kg7 s TRP 1105CO 0.01 0.34 0.07 -1.50 -0.51 0.00 0.00 176.95 175.36 3kg7 s ILE 1106N -1.45 -0.01 0.13 2.03 2.07 0.90 -1.76 121.20 123.10 3kg7 s ILE 1106Ca 0.14 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 3kg7 s ILE 1106Cb -0.09 -0.12 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 3kg7 s ILE 1106CO 0.07 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 3kg7 n GLY 1107N 3.30 4.02 0.16 1.50 0.00 0.27 -1.34 105.19 113.10 3kg7 n GLY 1107Ca -0.16 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.52 3kg7 n GLY 1107CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kg7 h GLU 1108N 0.00 0.37 0.00 1.61 5.08 -1.95 -3.38 114.58 116.31 3kg7 h GLU 1108Ca -0.11 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3kg7 h GLU 1108Cb 0.33 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3kg7 h GLU 1108CO 0.18 1.02 -1.45 -1.91 -1.00 0.00 0.00 179.01 175.85 3kg7 n GLU 1109N -3.77 1.58 -4.41 2.33 4.07 -1.26 -4.88 120.64 114.31 3kg7 n GLU 1109Ca -0.05 -0.04 -0.21 0.00 -0.06 0.00 0.00 57.16 56.80 3kg7 n GLU 1109Cb 0.78 -1.19 -0.10 0.00 -0.06 0.00 0.00 31.44 30.86 3kg7 n GLU 1109CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kg7 s THR 1110N -2.36 1.85 0.03 6.31 -4.23 -1.26 -3.57 115.64 112.40 3kg7 s THR 1110Ca -0.03 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.26 3kg7 s THR 1110Cb 0.04 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3kg7 s THR 1110CO 0.32 -0.43 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.00 3kg7 s SER 1111N -3.41 0.30 -0.05 3.99 1.04 -0.51 -0.57 113.70 114.49 3kg7 s SER 1111Ca 0.27 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 3kg7 s SER 1111Cb 0.00 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.28 3kg7 s SER 1111CO 0.11 -0.38 0.11 -0.22 0.98 0.00 0.00 173.24 173.84 3kg7 s LEU 1112N -1.83 0.95 -0.12 2.42 2.96 -0.72 -1.32 118.68 121.02 3kg7 s LEU 1112Ca -0.10 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3kg7 s LEU 1112Cb -0.05 0.25 -0.00 0.00 0.50 0.00 0.00 46.19 46.88 3kg7 s LEU 1112CO -0.03 -0.13 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.92 3kg7 s LEU 1113N 0.97 2.35 -0.25 -0.68 1.43 -0.21 -0.47 118.68 121.81 3kg7 s LEU 1113Ca -0.08 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 3kg7 s LEU 1113Cb -0.10 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3kg7 s LEU 1113CO -0.04 0.15 0.52 -0.70 0.23 0.00 0.00 176.35 176.50 3kg7 s GLU 1114N 0.43 4.08 -0.07 1.70 2.12 0.66 -0.79 118.70 126.83 3kg7 s GLU 1114Ca -0.14 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.56 3kg7 s GLU 1114Cb -0.17 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 3kg7 s GLU 1114CO 0.06 -0.33 -0.19 0.42 -0.54 0.00 0.00 175.26 174.68 3kg7 s ILE 1115N 2.24 2.58 0.20 -3.70 1.01 0.48 -0.53 121.20 123.47 3kg7 s ILE 1115Ca 0.21 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3kg7 s ILE 1115Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3kg7 s ILE 1115CO 0.09 0.56 0.09 -1.83 0.00 0.00 0.00 174.94 173.85 3kg7 s GLU 1116N -0.18 1.20 -0.16 2.79 -1.05 -0.23 -1.44 118.70 119.64 3kg7 s GLU 1116Ca -0.02 -1.62 -0.29 0.00 -0.15 0.00 0.00 54.97 52.89 3kg7 s GLU 1116Cb -0.14 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.56 3kg7 s GLU 1116CO 0.03 -0.30 1.20 0.08 0.95 0.00 0.00 175.26 177.23 3kg7 s VAL 1117N -3.94 4.36 0.29 1.83 1.01 -1.22 -4.54 120.40 118.20 3kg7 s VAL 1117Ca 0.34 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 3kg7 s VAL 1117Cb 0.07 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 3kg7 s VAL 1117CO 0.09 -0.12 1.58 -2.84 0.00 0.00 0.00 175.10 173.81 3kg7 s PRO 1118N 3.18 4.14 0.38 2.72 0.02 -1.26 -4.81 135.00 139.37 3kg7 s PRO 1118Ca 0.53 2.55 0.10 0.00 0.02 0.00 0.00 61.00 64.19 3kg7 s PRO 1118Cb -0.21 -3.03 0.86 0.00 0.02 0.00 0.00 34.50 32.14 3kg7 s PRO 1118CO 0.14 -0.61 1.92 0.87 -0.33 0.00 0.00 177.00 179.00 3kg7 h LYS 1119N 4.83 0.61 0.00 5.54 6.56 -1.88 0.19 116.57 132.42 3kg7 h LYS 1119Ca -0.47 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.03 3kg7 h LYS 1119Cb 1.22 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.74 3kg7 h LYS 1119CO 0.79 0.40 -0.27 0.00 -2.06 0.00 0.00 179.45 178.31 3kg7 h ALA 1120N 1.62 1.22 0.01 3.86 0.00 -1.89 -3.24 119.26 120.83 3kg7 h ALA 1120Ca 0.36 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 3kg7 h ALA 1120Cb 0.56 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3kg7 h ALA 1120CO -0.14 0.34 -1.61 1.25 0.00 0.00 0.00 179.25 179.09 3kg7 h LEU 1121N 0.00 0.02 -0.62 0.00 5.85 -0.96 -3.41 115.31 116.19 3kg7 h LEU 1121Ca -0.00 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3kg7 h LEU 1121Cb 0.61 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 3kg7 h LEU 1121CO 0.03 1.03 -0.05 0.00 -0.34 0.00 0.00 178.44 179.11 3kg7 n ALA 1122N -2.54 0.25 0.46 1.25 0.00 -0.58 -0.46 120.51 118.90 3kg7 n ALA 1122Ca -0.15 0.67 0.10 0.00 0.00 0.00 0.00 53.44 54.07 3kg7 n ALA 1122Cb 1.03 -0.46 0.43 0.00 0.00 0.00 0.00 19.45 20.46 3kg7 n ALA 1122CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kg7 n PHE 1123N -4.89 0.53 0.73 0.00 -1.74 -1.26 -2.77 117.46 108.06 3kg7 n PHE 1123Ca 0.13 0.20 0.12 0.00 -0.56 0.00 0.00 57.45 57.34 3kg7 n PHE 1123Cb 0.41 -0.83 0.11 0.00 1.52 0.00 0.00 39.48 40.70 3kg7 n PHE 1123CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 3kg7 n GLN 1124N -1.98 0.18 -2.27 3.97 6.02 0.39 -4.92 117.38 118.78 3kg7 n GLN 1124Ca 0.03 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.65 3kg7 n GLN 1124Cb 0.22 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 3kg7 n GLN 1124CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kg7 s LEU 1125N -3.65 4.21 -0.31 1.08 1.43 -1.11 -4.93 118.68 115.39 3kg7 s LEU 1125Ca 0.07 2.39 0.18 0.00 -1.03 0.00 0.00 54.13 55.74 3kg7 s LEU 1125Cb 0.15 -3.99 0.46 0.00 0.03 0.00 0.00 46.19 42.85 3kg7 s LEU 1125CO 0.76 -0.68 1.12 0.00 0.23 0.00 0.00 176.35 177.78 3kg7 n ALA 1126N 0.13 2.80 -0.96 4.21 0.00 -1.26 -4.99 120.51 120.44 3kg7 n ALA 1126Ca 0.04 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.93 3kg7 n ALA 1126Cb 0.46 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3kg7 n ALA 1126CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kg7 n GLY 1127N -0.46 0.61 3.77 0.00 0.00 -1.26 -4.96 105.19 102.89 3kg7 n GLY 1127Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kg7 n GLY 1127CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kg7 s GLU 1128N -0.26 4.26 0.30 1.61 1.03 -1.26 -4.93 118.70 119.45 3kg7 s GLU 1128Ca 0.00 2.35 0.05 0.00 0.03 0.00 0.00 54.97 57.40 3kg7 s GLU 1128Cb 0.00 -3.04 0.73 0.00 -0.80 0.00 0.00 34.13 31.02 3kg7 s GLU 1128CO 0.00 -0.34 1.74 -1.35 -1.33 0.00 0.00 175.26 173.98 3kg7 h PRO 1129N 3.52 0.58 -2.52 -4.83 0.10 -1.90 -3.41 132.00 123.53 3kg7 h PRO 1129Ca -0.49 -0.03 -0.09 0.00 0.10 0.00 0.00 66.00 65.48 3kg7 h PRO 1129Cb 1.23 -0.13 -0.26 0.00 0.10 0.00 0.00 31.00 31.94 3kg7 h PRO 1129CO 0.67 0.38 -0.27 -1.50 0.10 0.00 0.00 178.00 177.38 3kg7 s ILE 1130N -5.87 -0.18 0.29 4.15 2.07 -1.26 -1.44 121.20 118.96 3kg7 s ILE 1130Ca -0.11 0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 58.94 3kg7 s ILE 1130Cb 0.25 -0.68 -0.09 0.00 0.13 0.00 0.00 42.46 42.06 3kg7 s ILE 1130CO 0.79 0.04 0.95 -2.28 -1.91 0.00 0.00 174.94 172.53 3kg7 s HIS 1131N 1.72 3.81 0.29 3.50 5.65 -1.26 -4.72 115.29 124.28 3kg7 s HIS 1131Ca -0.08 1.84 -0.01 0.00 0.25 0.00 0.00 55.06 57.06 3kg7 s HIS 1131Cb -0.09 -2.96 0.65 0.00 -1.18 0.00 0.00 32.58 29.01 3kg7 s HIS 1131CO -0.14 0.29 1.49 -2.30 -0.65 0.00 0.00 174.74 173.44 3kg7 n PRO 1132N 0.96 -0.08 -0.13 2.88 -0.02 -1.26 -0.59 135.00 136.76 3kg7 n PRO 1132Ca 0.00 1.44 -0.04 0.00 -2.02 0.00 0.00 63.50 62.88 3kg7 n PRO 1132Cb 0.49 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3kg7 n PRO 1132CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kg7 h VAL 1133N 0.00 0.81 -0.41 -1.45 2.07 -1.97 0.62 116.25 115.92 3kg7 h VAL 1133Ca 0.55 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.83 3kg7 h VAL 1133Cb 1.07 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kg7 h VAL 1133CO -0.92 0.05 -0.33 -0.07 0.02 0.00 0.00 177.57 176.32 3kg7 h LEU 1134N 0.26 0.99 -0.98 2.57 3.38 -1.23 -0.09 115.31 120.22 3kg7 h LEU 1134Ca 0.20 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3kg7 h LEU 1134Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kg7 h LEU 1134CO -0.24 1.22 -0.27 -0.29 0.09 0.00 0.00 178.44 178.95 3kg7 h ILE 1135N 0.79 1.27 -0.60 1.22 2.10 -1.19 -2.93 117.51 118.15 3kg7 h ILE 1135Ca 0.08 -1.28 -0.06 0.00 1.08 0.00 0.00 64.86 64.68 3kg7 h ILE 1135Cb 0.91 1.41 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 3kg7 h ILE 1135CO 0.08 0.40 0.16 -0.78 -1.08 0.00 0.00 178.15 176.93 3kg7 h ASP 1136N 0.36 0.91 -0.02 2.19 3.58 -0.29 -2.85 116.42 120.29 3kg7 h ASP 1136Ca 0.05 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.28 3kg7 h ASP 1136Cb 0.67 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 3kg7 h ASP 1136CO 0.05 0.90 0.02 0.00 -2.88 0.00 0.00 179.24 177.33 3kg7 h ALA 1137N 1.04 1.85 0.00 -0.78 0.00 -0.84 -1.95 119.26 118.58 3kg7 h ALA 1137Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kg7 h ALA 1137Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kg7 h ALA 1137CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3kg7 n THR 1139N -2.80 0.47 1.46 0.00 -2.24 -0.73 -4.54 114.28 105.90 3kg7 n THR 1139Ca 0.00 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.22 3kg7 n THR 1139Cb 0.22 0.93 0.60 0.00 -2.10 0.00 0.00 70.33 69.98 3kg7 n THR 1139CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kg7 n ARG 1140N 1.38 0.89 -3.80 -0.78 1.74 -1.07 -4.85 116.66 110.17 3kg7 n ARG 1140Ca 0.19 -0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 56.79 3kg7 n ARG 1140Cb 0.58 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3kg7 n ARG 1140CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kg7 s LEU 1141N -2.36 1.15 0.05 0.55 2.96 -1.26 -5.11 118.68 114.65 3kg7 s LEU 1141Ca 0.32 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3kg7 s LEU 1141Cb 0.20 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.68 3kg7 s LEU 1141CO 0.45 -0.15 -0.02 0.42 -1.32 0.00 0.00 176.35 175.73 3kg7 s THR 1142N -0.21 0.20 0.63 3.68 -4.23 -1.26 -4.87 115.64 109.58 3kg7 s THR 1142Ca -0.03 -1.61 0.42 0.00 -1.18 0.00 0.00 61.69 59.29 3kg7 s THR 1142Cb -0.03 -1.28 0.43 0.00 1.34 0.00 0.00 72.50 72.96 3kg7 s THR 1142CO 0.01 -0.89 2.34 -0.65 -0.54 0.00 0.00 174.62 174.89 3kg7 h PRO 1143N 3.41 0.00 -1.08 3.99 0.11 -1.85 -2.88 132.00 133.70 3kg7 h PRO 1143Ca -0.34 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.19 3kg7 h PRO 1143Cb 1.16 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.86 3kg7 h PRO 1143CO 0.61 0.00 -0.51 -0.40 -0.21 0.00 0.00 178.00 177.49 3kg7 n ASP 1144N -3.21 5.29 0.24 -2.05 5.75 -1.26 -4.83 116.55 116.48 3kg7 n ASP 1144Ca -0.03 -3.75 0.12 0.00 -0.01 0.00 0.00 54.79 51.12 3kg7 n ASP 1144Cb 0.08 -0.48 0.53 0.00 -1.03 0.00 0.00 41.12 40.22 3kg7 n ASP 1144CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3kg7 h LEU 1145N 2.33 0.00 -0.96 -2.12 5.85 -1.93 -2.61 115.31 115.87 3kg7 h LEU 1145Ca 0.38 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 3kg7 h LEU 1145Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kg7 h LEU 1145CO 0.91 0.16 -0.29 -0.26 -0.34 0.00 0.00 178.44 178.62 3kg7 h PHE 1146N 0.00 0.00 -0.07 1.25 0.04 -1.89 -3.09 116.94 113.18 3kg7 h PHE 1146Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kg7 h PHE 1146Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3kg7 h PHE 1146CO 0.00 0.29 0.00 -0.25 -0.60 0.00 0.00 178.31 177.75 3kg7 n ASP 1147N -3.42 0.45 -4.67 2.17 8.00 -0.98 -4.69 116.55 113.41 3kg7 n ASP 1147Ca 0.00 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 3kg7 n ASP 1147Cb 0.48 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3kg7 n ASP 1147CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kg7 s PHE 1148N -1.87 3.40 -0.65 1.24 0.40 -1.17 -4.96 117.98 114.37 3kg7 s PHE 1148Ca 0.05 1.16 -0.27 0.00 -0.60 0.00 0.00 56.93 57.28 3kg7 s PHE 1148Cb 0.03 -2.96 -0.12 0.00 0.51 0.00 0.00 43.02 40.48 3kg7 s PHE 1148CO 0.03 -0.23 2.48 -1.13 0.70 0.00 0.00 175.22 177.07 3kg7 n SER 1149N 5.24 1.67 -1.38 1.36 3.41 -1.26 -4.79 113.62 117.86 3kg7 n SER 1149Ca 0.03 -0.43 0.04 0.00 -0.26 0.00 0.00 58.87 58.25 3kg7 n SER 1149Cb 0.49 -1.40 0.25 0.00 -0.26 0.00 0.00 64.21 63.29 3kg7 n SER 1149CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kg7 n SER 1150N 14.58 3.96 -0.04 4.04 3.41 -1.26 -4.54 113.62 133.76 3kg7 n SER 1150Ca 0.46 -2.59 -0.05 0.00 -0.26 0.00 0.00 58.87 56.43 3kg7 n SER 1150Cb 0.40 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.60 3kg7 n SER 1150CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kg7 n ASP 1151N 0.38 0.47 0.00 4.04 5.68 -1.26 -4.41 116.55 121.44 3kg7 n ASP 1151Ca 0.18 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 3kg7 n ASP 1151Cb 0.85 0.57 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 3kg7 n ASP 1151CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3kg7 n SER 1152N -2.83 0.98 0.00 -1.12 2.88 -1.26 -5.00 113.62 107.28 3kg7 n SER 1152Ca -0.20 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.16 3kg7 n SER 1152Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 3kg7 n SER 1152CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kg7 n GLY 1153N -0.09 0.70 3.73 0.46 0.00 -1.23 -5.00 105.19 103.77 3kg7 n GLY 1153Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kg7 n GLY 1153CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kg7 s VAL 1154N -2.92 3.64 0.39 1.61 1.01 -1.26 -3.63 120.40 119.24 3kg7 s VAL 1154Ca 0.00 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.05 3kg7 s VAL 1154Cb 0.00 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 3kg7 s VAL 1154CO 0.00 0.17 0.96 0.12 0.00 0.00 0.00 175.10 176.34 3kg7 s PHE 1155N 0.37 3.43 -0.56 5.22 5.36 -1.24 -4.69 117.98 125.87 3kg7 s PHE 1155Ca 0.56 1.67 -0.16 0.00 -0.96 0.00 0.00 56.93 58.04 3kg7 s PHE 1155Cb -0.32 -2.90 0.13 0.00 -0.34 0.00 0.00 43.02 39.59 3kg7 s PHE 1155CO 0.34 -0.05 0.53 -1.58 -1.46 0.00 0.00 175.22 173.00 3kg7 s TRP 1156N -1.95 3.24 -0.11 10.12 0.52 -1.26 -0.58 118.94 128.93 3kg7 s TRP 1156Ca 0.58 -1.28 -0.21 0.00 0.02 0.00 0.00 56.10 55.20 3kg7 s TRP 1156Cb -0.13 -3.83 -0.04 0.00 -1.15 0.00 0.00 33.47 28.33 3kg7 s TRP 1156CO 0.18 -1.05 0.62 0.00 0.02 0.00 0.00 176.95 176.72 3kg7 s ALA 1157N 1.66 3.42 0.18 0.98 0.00 0.40 -4.72 121.76 123.68 3kg7 s ALA 1157Ca 0.05 -0.04 -0.33 0.00 0.00 0.00 0.00 51.96 51.64 3kg7 s ALA 1157Cb -0.29 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 3kg7 s ALA 1157CO 0.03 -0.15 1.33 -2.30 0.00 0.00 0.00 175.76 174.66 3kg7 n PRO 1158N 3.97 1.59 0.00 0.00 -0.02 -1.26 0.10 135.00 139.38 3kg7 n PRO 1158Ca -0.03 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kg7 n PRO 1158Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3kg7 n PRO 1158CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3kg7 n TRP 1159N 2.03 0.00 -3.50 6.00 -0.00 0.11 -4.77 117.44 117.32 3kg7 n TRP 1159Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.51 3kg7 n TRP 1159Cb 0.27 0.02 -0.04 0.00 -0.00 0.00 0.00 31.31 31.56 3kg7 n TRP 1159CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 3kg7 s ARG 1160N -1.96 1.16 -0.04 5.87 1.70 -1.18 -1.68 118.95 122.82 3kg7 s ARG 1160Ca 0.00 -0.33 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 3kg7 s ARG 1160Cb 0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 3kg7 s ARG 1160CO 0.00 -0.46 -0.03 0.08 -1.08 0.00 0.00 175.30 173.81 3kg7 s VAL 1161N -3.05 0.45 -0.02 4.99 1.01 -0.50 -0.44 120.40 122.84 3kg7 s VAL 1161Ca -0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3kg7 s VAL 1161Cb -0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 36.38 35.71 3kg7 s VAL 1161CO -0.07 0.21 1.08 0.50 0.00 0.00 0.00 175.10 176.83 3kg7 h LYS 1162N 7.33 -0.30 0.00 2.72 1.63 -1.30 -0.70 116.57 125.95 3kg7 h LYS 1162Ca -0.36 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.42 3kg7 h LYS 1162Cb 1.15 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 3kg7 h LYS 1162CO 0.45 0.07 -0.03 -1.91 -3.45 0.00 0.00 179.45 174.58 3kg7 n GLU 1163N -5.03 0.06 -3.65 1.90 2.13 -0.96 -1.38 120.64 113.71 3kg7 n GLU 1163Ca -0.09 -0.31 -0.03 0.00 0.66 0.00 0.00 57.16 57.39 3kg7 n GLU 1163Cb 0.26 0.29 -0.06 0.00 0.27 0.00 0.00 31.44 32.19 3kg7 n GLU 1163CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kg7 s THR 1165N -2.37 0.00 -0.04 6.31 -4.23 0.20 0.45 115.64 115.96 3kg7 s THR 1165Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 3kg7 s THR 1165Cb -0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 3kg7 s THR 1165CO 0.02 0.00 0.07 -0.22 -0.54 0.00 0.00 174.62 173.96 3kg7 s LEU 1166N -0.17 0.59 -0.06 4.79 2.96 -0.61 -1.06 118.68 125.12 3kg7 s LEU 1166Ca 0.08 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3kg7 s LEU 1166Cb -0.04 0.02 -0.27 0.00 0.50 0.00 0.00 46.19 46.40 3kg7 s LEU 1166CO -0.14 -0.18 0.62 0.28 -1.32 0.00 0.00 176.35 175.60 3kg7 h SER 1167N 7.76 0.37 -5.17 3.68 0.02 -0.79 -1.71 113.55 117.71 3kg7 h SER 1167Ca -0.31 -0.66 -0.02 0.00 -0.84 0.00 0.00 61.79 59.96 3kg7 h SER 1167Cb 1.12 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.46 3kg7 h SER 1167CO 0.33 1.57 -0.02 -1.38 -1.14 0.00 0.00 176.83 176.19 3kg7 s HIS 1168N -2.59 0.20 0.60 3.45 -3.43 -1.26 -3.23 115.29 109.03 3kg7 s HIS 1168Ca -0.14 -0.58 -0.19 0.00 -0.80 0.00 0.00 55.06 53.35 3kg7 s HIS 1168Cb 0.07 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 3kg7 s HIS 1168CO 0.82 -1.05 1.08 -2.30 -2.00 0.00 0.00 174.74 171.29 3kg7 n PRO 1169N -0.40 1.05 -2.13 -0.38 -0.02 -1.26 -4.93 135.00 126.92 3kg7 n PRO 1169Ca -0.03 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 3kg7 n PRO 1169Cb 0.61 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3kg7 n PRO 1169CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kg7 s THR 1170N -1.45 2.87 0.99 3.45 -4.23 -0.52 -5.03 115.64 111.71 3kg7 s THR 1170Ca 0.76 0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 61.91 3kg7 s THR 1170Cb -0.41 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.11 3kg7 s THR 1170CO 0.46 0.15 1.17 -2.16 -0.54 0.00 0.00 174.62 173.71 3kg7 s PRO 1171N -0.97 0.49 0.47 3.99 0.04 -1.26 -4.95 135.00 132.81 3kg7 s PRO 1171Ca 0.53 0.06 0.14 0.00 0.04 0.00 0.00 61.00 61.78 3kg7 s PRO 1171Cb -0.39 -1.78 1.08 0.00 0.04 0.00 0.00 34.50 33.45 3kg7 s PRO 1171CO 0.46 -2.59 2.05 0.66 0.04 0.00 0.00 177.00 177.62 3kg7 h SER 1172N -1.78 0.04 -3.75 6.66 4.64 -1.95 -3.41 113.55 114.00 3kg7 h SER 1172Ca -0.48 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.50 3kg7 h SER 1172Cb 1.30 -0.01 -0.30 0.00 -0.31 0.00 0.00 62.40 63.08 3kg7 h SER 1172CO 0.50 0.13 -0.75 0.00 -0.87 0.00 0.00 176.83 175.84 3kg7 s ARG 1173N -4.85 0.45 0.33 4.77 1.70 -1.26 -3.37 118.95 116.72 3kg7 s ARG 1173Ca -0.05 -0.12 -0.04 0.00 -0.47 0.00 0.00 55.73 55.05 3kg7 s ARG 1173Cb 0.16 -0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.09 3kg7 s ARG 1173CO 0.69 0.03 0.52 1.97 -1.08 0.00 0.00 175.30 177.43 3kg7 n PHE 1174N 3.35 -1.58 -4.26 5.89 1.16 -0.52 -3.95 117.46 117.54 3kg7 n PHE 1174Ca -0.18 -2.08 -0.22 0.00 -1.87 0.00 0.00 57.45 53.11 3kg7 n PHE 1174Cb 0.56 0.59 -0.12 0.00 -1.61 0.00 0.00 39.48 38.90 3kg7 n PHE 1174CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3kg7 s TYR 1175N -3.00 1.62 -0.21 2.97 2.02 0.12 -0.39 117.35 120.49 3kg7 s TYR 1175Ca 0.24 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3kg7 s TYR 1175Cb -0.02 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 3kg7 s TYR 1175CO 0.17 0.18 -0.15 0.00 -1.57 0.00 0.00 175.55 174.19 3kg7 s ALA 1176N -1.42 2.47 -0.15 3.71 0.00 0.03 -0.95 121.76 125.44 3kg7 s ALA 1176Ca 0.06 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 3kg7 s ALA 1176Cb -0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 3kg7 s ALA 1176CO 0.04 -0.56 -0.14 -0.47 0.00 0.00 0.00 175.76 174.63 3kg7 s TYR 1177N 1.28 2.80 -0.20 0.00 5.04 0.54 -1.05 117.35 125.77 3kg7 s TYR 1177Ca 0.02 -0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 53.70 3kg7 s TYR 1177Cb -0.15 -1.90 -0.00 0.00 0.35 0.00 0.00 41.96 40.26 3kg7 s TYR 1177CO -0.10 -0.41 -0.10 0.08 -1.34 0.00 0.00 175.55 173.68 3kg7 s VAL 1178N 0.76 2.99 -0.11 3.14 1.01 -0.44 -0.08 120.40 127.66 3kg7 s VAL 1178Ca -0.06 -0.63 0.16 0.00 0.00 0.00 0.00 61.98 61.46 3kg7 s VAL 1178Cb -0.15 -2.32 -0.15 0.00 0.00 0.00 0.00 36.38 33.75 3kg7 s VAL 1178CO 0.01 0.47 0.79 -0.62 0.00 0.00 0.00 175.10 175.74 3kg7 n GLU 1179N 4.59 0.62 -4.13 2.72 4.71 -1.26 -1.43 120.64 126.46 3kg7 n GLU 1179Ca -0.19 0.23 -0.16 0.00 -0.01 0.00 0.00 57.16 57.03 3kg7 n GLU 1179Cb 0.51 -1.80 -0.12 0.00 -1.01 0.00 0.00 31.44 29.02 3kg7 n GLU 1179CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 3kg7 s GLU 1180N -2.88 0.65 0.75 3.49 4.04 -1.23 -4.40 118.70 119.12 3kg7 s GLU 1180Ca -0.03 -0.78 -0.15 0.00 0.04 0.00 0.00 54.97 54.05 3kg7 s GLU 1180Cb 0.09 -0.54 0.05 0.00 0.02 0.00 0.00 34.13 33.75 3kg7 s GLU 1180CO 0.81 0.11 1.23 -1.25 -1.84 0.00 0.00 175.26 174.33 3kg7 s PRO 1181N -1.48 1.97 0.25 -4.83 0.04 -1.25 -4.74 135.00 124.96 3kg7 s PRO 1181Ca -0.05 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 3kg7 s PRO 1181Cb -0.09 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 3kg7 s PRO 1181CO 0.01 -1.98 1.52 -1.54 0.04 0.00 0.00 177.00 175.05 3kg7 s SER 1182N -1.95 6.54 0.01 6.66 1.04 -1.26 -4.97 113.70 119.77 3kg7 s SER 1182Ca 0.76 2.76 -0.30 0.00 0.48 0.00 0.00 55.95 59.65 3kg7 s SER 1182Cb -0.31 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.15 3kg7 s SER 1182CO 0.47 -0.80 1.06 -0.60 0.98 0.00 0.00 173.24 174.35 3kg7 s ARG 1183N -0.14 4.50 -0.22 4.02 6.06 0.59 -4.84 118.95 128.93 3kg7 s ARG 1183Ca 0.63 1.54 -0.03 0.00 -2.50 0.00 0.00 55.73 55.36 3kg7 s ARG 1183Cb -0.44 -3.44 -0.01 0.00 0.06 0.00 0.00 34.95 31.12 3kg7 s ARG 1183CO 0.43 -0.15 -0.05 0.08 -2.50 0.00 0.00 175.30 173.10 3kg7 s VAL 1184N 1.16 3.28 -0.72 7.11 1.01 -1.26 -0.61 120.40 130.37 3kg7 s VAL 1184Ca 0.54 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3kg7 s VAL 1184Cb -0.24 -2.49 0.19 0.00 0.00 0.00 0.00 36.38 33.85 3kg7 s VAL 1184CO 0.27 0.43 0.63 0.21 0.00 0.00 0.00 175.10 176.65 3kg7 s ASN 1185N 1.44 6.32 0.11 3.32 3.84 -0.30 -4.96 114.94 124.71 3kg7 s ASN 1185Ca 0.05 -2.52 -0.21 0.00 0.21 0.00 0.00 52.86 50.39 3kg7 s ASN 1185Cb -0.14 -2.13 -0.05 0.00 -0.55 0.00 0.00 41.25 38.38 3kg7 s ASN 1185CO -0.04 -0.59 1.19 -0.62 -2.79 0.00 0.00 177.10 174.25 3kg7 n GLU 1186N 4.15 -0.29 0.38 0.43 1.02 -1.26 -0.59 120.64 124.48 3kg7 n GLU 1186Ca 0.07 1.17 -0.17 0.00 -0.02 0.00 0.00 57.16 58.20 3kg7 n GLU 1186Cb 0.44 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 3kg7 n GLU 1186CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3kg7 h GLN 1187N 0.00 -1.01 0.00 3.49 5.75 -1.97 -2.81 115.11 118.56 3kg7 h GLN 1187Ca 0.11 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3kg7 h GLN 1187Cb 0.27 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3kg7 h GLN 1187CO -0.63 -0.68 0.00 1.28 -2.65 0.00 0.00 178.83 176.15 3kg7 n LEU 1188N -5.15 0.02 -3.48 -2.39 4.77 -1.10 -4.88 117.00 104.79 3kg7 n LEU 1188Ca -0.13 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.14 3kg7 n LEU 1188Cb 0.44 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3kg7 n LEU 1188CO 0.30 -0.29 0.22 0.00 -1.33 0.00 0.00 177.39 176.29 3kg7 n GLN 1189N -1.53 -7.54 -4.43 3.23 6.02 0.25 -5.02 117.38 108.36 3kg7 n GLN 1189Ca 0.03 0.81 -0.24 0.00 -0.01 0.00 0.00 57.00 57.59 3kg7 n GLN 1189Cb 0.15 -5.78 -0.11 0.00 1.02 0.00 0.00 30.24 25.53 3kg7 n GLN 1189CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3kg7 s THR 1190N -3.32 2.32 -0.06 5.09 -4.23 -1.15 -3.98 115.64 110.32 3kg7 s THR 1190Ca 0.48 -2.25 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 3kg7 s THR 1190Cb -0.21 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3kg7 s THR 1190CO 0.71 -0.33 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.15 3kg7 s ARG 1191N -3.23 2.00 0.05 3.99 0.52 -0.88 -1.14 118.95 120.26 3kg7 s ARG 1191Ca 0.26 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3kg7 s ARG 1191Cb -0.05 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 3kg7 s ARG 1191CO 0.12 0.20 -0.11 -1.54 0.02 0.00 0.00 175.30 173.99 3kg7 s SER 1192N 0.19 1.31 0.35 0.23 1.04 0.22 -0.79 113.70 116.25 3kg7 s SER 1192Ca -0.08 -0.52 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 3kg7 s SER 1192Cb -0.13 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 65.98 3kg7 s SER 1192CO 0.04 -0.09 0.65 -0.72 0.98 0.00 0.00 173.24 174.10 3kg7 s TYR 1193N -1.13 0.42 0.04 5.02 1.13 -0.62 -0.30 117.35 121.92 3kg7 s TYR 1193Ca -0.04 -0.91 0.08 0.00 -1.41 0.00 0.00 57.07 54.79 3kg7 s TYR 1193Cb -0.09 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.21 3kg7 s TYR 1193CO 0.01 -1.35 -0.22 -0.51 -2.51 0.00 0.00 175.55 170.97 3kg7 s ASP 1194N -3.11 2.66 -0.06 -0.18 1.01 -1.26 -0.52 116.67 115.21 3kg7 s ASP 1194Ca 0.21 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.95 3kg7 s ASP 1194Cb -0.03 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.68 3kg7 s ASP 1194CO 0.14 0.19 -0.09 -0.63 0.21 0.00 0.00 175.17 174.99 3kg7 s ILE 1195N -0.78 0.92 -0.22 0.77 1.01 -0.09 -4.48 121.20 118.32 3kg7 s ILE 1195Ca 0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3kg7 s ILE 1195Cb -0.09 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3kg7 s ILE 1195CO 0.02 0.31 0.15 -1.58 0.00 0.00 0.00 174.94 173.84 3kg7 s GLN 1196N 0.79 4.12 -0.27 2.79 2.00 0.89 -0.62 119.66 129.36 3kg7 s GLN 1196Ca -0.13 -0.24 -0.17 0.00 -2.00 0.00 0.00 55.36 52.83 3kg7 s GLN 1196Cb -0.15 -3.49 -0.03 0.00 0.80 0.00 0.00 33.01 30.14 3kg7 s GLN 1196CO 0.02 0.15 0.45 -0.51 -0.50 0.00 0.00 175.29 174.90 3kg7 s LEU 1197N 0.78 4.07 -0.06 3.68 1.02 0.77 -0.34 118.68 128.61 3kg7 s LEU 1197Ca 0.08 0.36 0.05 0.00 0.02 0.00 0.00 54.13 54.65 3kg7 s LEU 1197Cb -0.13 -2.55 -0.01 0.00 0.02 0.00 0.00 46.19 43.53 3kg7 s LEU 1197CO 0.02 -0.26 -0.23 -0.76 0.02 0.00 0.00 176.35 175.15 3kg7 s LEU 1198N 2.21 2.21 0.00 1.79 1.43 -0.13 -0.94 118.68 125.25 3kg7 s LEU 1198Ca 0.18 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3kg7 s LEU 1198Cb -0.16 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.67 3kg7 s LEU 1198CO 0.10 0.25 0.09 -0.90 0.23 0.00 0.00 176.35 176.12 3kg7 n ASP 1199N 2.92 -0.53 0.08 2.29 3.85 0.76 0.14 116.55 126.07 3kg7 n ASP 1199Ca -0.17 -0.80 0.05 0.00 -0.71 0.00 0.00 54.79 53.16 3kg7 n ASP 1199Cb 0.52 -0.08 0.48 0.00 -1.35 0.00 0.00 41.12 40.69 3kg7 n ASP 1199CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3kg7 h GLU 1200N 0.00 0.37 0.00 0.11 4.57 -1.89 -2.14 114.58 115.60 3kg7 h GLU 1200Ca -0.03 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3kg7 h GLU 1200Cb 0.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3kg7 h GLU 1200CO 0.02 0.26 -0.39 1.15 -1.18 0.00 0.00 179.01 178.87 3kg7 h THR 1201N 0.38 0.46 0.00 0.32 2.02 -1.93 -3.47 112.91 110.69 3kg7 h THR 1201Ca 0.10 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.61 3kg7 h THR 1201Cb -0.02 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3kg7 h THR 1201CO -0.02 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.74 3kg7 n GLY 1202N 1.18 1.16 3.72 2.16 0.00 -0.80 -4.49 105.19 108.13 3kg7 n GLY 1202Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3kg7 n GLY 1202CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kg7 s GLN 1203N -0.49 4.62 0.28 1.61 0.74 -1.26 0.17 119.66 125.32 3kg7 s GLN 1203Ca 0.00 1.36 -0.29 0.00 0.05 0.00 0.00 55.36 56.48 3kg7 s GLN 1203Cb 0.00 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 3kg7 s GLN 1203CO 0.00 0.13 1.18 0.00 -0.55 0.00 0.00 175.29 176.06 3kg7 s ALA 1204N 0.34 3.44 0.00 1.58 0.00 -0.78 -0.17 121.76 126.18 3kg7 s ALA 1204Ca 0.47 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3kg7 s ALA 1204Cb -0.22 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3kg7 s ALA 1204CO 0.28 -0.34 0.04 1.97 0.00 0.00 0.00 175.76 177.70 3kg7 n PHE 1205N 1.27 0.00 -3.50 0.00 -1.74 -0.12 -4.64 117.46 108.72 3kg7 n PHE 1205Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 3kg7 n PHE 1205Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 3kg7 n PHE 1205CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3kg7 s GLY 1206N -0.00 -0.46 0.07 4.97 0.00 -1.18 -0.10 107.32 110.61 3kg7 s GLY 1206Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 45.61 3kg7 s GLY 1206CO 0.00 0.33 0.25 1.09 0.00 0.00 0.00 173.10 174.77 3kg7 s ARG 1207N -3.12 0.84 -0.21 2.90 1.70 -0.23 -0.16 118.95 120.66 3kg7 s ARG 1207Ca 0.05 -0.75 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 3kg7 s ARG 1207Cb -0.01 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3kg7 s ARG 1207CO -0.09 -0.27 -0.13 0.42 -1.08 0.00 0.00 175.30 174.15 3kg7 s ILE 1208N -3.28 1.90 -0.13 4.99 1.01 0.21 -0.63 121.20 125.28 3kg7 s ILE 1208Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 3kg7 s ILE 1208Cb 0.02 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3kg7 s ILE 1208CO -0.08 0.21 -0.03 0.20 0.00 0.00 0.00 174.94 175.24 3kg7 s ASN 1209N 1.29 4.91 -0.90 3.58 0.01 0.17 -0.91 114.94 123.08 3kg7 s ASN 1209Ca -0.02 -0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.04 3kg7 s ASN 1209Cb -0.16 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 39.88 3kg7 s ASN 1209CO -0.09 0.25 0.65 0.61 -1.51 0.00 0.00 177.10 177.01 3kg7 n GLY 1210N 3.01 -0.03 3.59 0.66 0.00 -1.10 -1.50 105.19 109.83 3kg7 n GLY 1210Ca -0.18 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3kg7 n GLY 1210CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kg7 s PHE 1211N -3.13 1.80 -0.16 1.61 2.19 0.33 -3.49 117.98 117.12 3kg7 s PHE 1211Ca 0.32 0.67 -0.04 0.00 0.33 0.00 0.00 56.93 58.21 3kg7 s PHE 1211Cb -0.14 -4.12 -0.02 0.00 -1.31 0.00 0.00 43.02 37.42 3kg7 s PHE 1211CO 0.40 -2.81 -0.04 0.99 1.83 0.00 0.00 175.22 175.59 3kg7 s THR 1212N 7.24 3.78 0.10 0.12 2.01 0.42 -1.58 115.64 127.73 3kg7 s THR 1212Ca 0.77 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.42 3kg7 s THR 1212Cb -0.21 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3kg7 s THR 1212CO 0.32 0.48 0.06 0.68 -0.69 0.00 0.00 174.62 175.47 3kg7 s VAL 1213N 0.54 4.38 0.02 3.82 -7.23 0.03 0.09 120.40 122.04 3kg7 s VAL 1213Ca -0.03 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3kg7 s VAL 1213Cb -0.14 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 3kg7 s VAL 1213CO 0.03 0.09 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.10 3kg7 s LYS 1214N -2.48 0.41 0.20 4.82 2.20 0.12 -2.06 119.74 122.94 3kg7 s LYS 1214Ca 0.29 -0.45 -0.32 0.00 -0.36 0.00 0.00 55.97 55.12 3kg7 s LYS 1214Cb -0.12 -0.26 -0.12 0.00 -1.51 0.00 0.00 37.83 35.81 3kg7 s LYS 1214CO 0.21 0.06 1.68 0.54 -0.36 0.00 0.00 175.35 177.48 3kg7 n ARG 1215N 2.20 2.62 -3.55 4.03 1.74 -1.26 -0.45 116.66 122.00 3kg7 n ARG 1215Ca -0.18 0.94 -0.29 0.00 -0.77 0.00 0.00 57.85 57.55 3kg7 n ARG 1215Cb 0.57 -2.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.10 3kg7 n ARG 1215CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kg7 s ALA 1216N 1.05 0.98 0.63 7.54 0.00 0.26 -4.86 121.76 127.36 3kg7 s ALA 1216Ca 0.76 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 3kg7 s ALA 1216Cb -0.55 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3kg7 s ALA 1216CO 0.34 -1.87 1.27 -2.14 0.00 0.00 0.00 175.76 173.37 3kg7 s PRO 1217N 1.49 2.70 0.28 0.00 0.02 -1.26 -3.70 135.00 134.52 3kg7 s PRO 1217Ca 0.13 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3kg7 s PRO 1217Cb -0.20 -1.89 0.61 0.00 0.02 0.00 0.00 34.50 33.05 3kg7 s PRO 1217CO -0.17 -1.47 1.77 1.03 -0.33 0.00 0.00 177.00 177.83 3kg7 h SER 1218N 0.69 0.65 -0.73 2.53 0.87 -1.96 0.17 113.55 115.76 3kg7 h SER 1218Ca -0.51 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 3kg7 h SER 1218Cb 1.32 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 3kg7 h SER 1218CO 0.54 0.26 0.46 1.56 -0.53 0.00 0.00 176.83 179.12 3kg7 h GLN 1219N 0.70 0.89 0.21 2.24 4.20 -1.95 -0.84 115.11 120.56 3kg7 h GLN 1219Ca 0.51 -0.05 -0.27 0.00 0.06 0.00 0.00 58.65 58.89 3kg7 h GLN 1219Cb 0.73 -0.20 0.03 0.00 0.30 0.00 0.00 27.48 28.34 3kg7 h GLN 1219CO -0.36 0.59 -1.20 -0.07 -0.67 0.00 0.00 178.83 177.11 3kg7 h LEU 1220N 0.91 0.68 -0.03 1.46 3.38 -1.68 -3.35 115.31 116.68 3kg7 h LEU 1220Ca 0.29 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3kg7 h LEU 1220Cb -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kg7 h LEU 1220CO -0.10 1.58 -0.00 0.15 0.09 0.00 0.00 178.44 180.15 3kg7 h PHE 1221N -0.08 0.07 -0.63 1.13 3.57 -0.59 -3.21 116.94 117.20 3kg7 h PHE 1221Ca -0.21 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.02 3kg7 h PHE 1221Cb 1.94 -0.02 -0.15 0.00 2.79 0.00 0.00 35.95 40.51 3kg7 h PHE 1221CO 0.16 0.36 0.32 1.28 -2.23 0.00 0.00 178.31 178.20 3kg7 n LEU 1222N -4.89 5.33 0.00 0.59 4.77 -0.33 -4.59 117.00 117.87 3kg7 n LEU 1222Ca -0.07 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 3kg7 n LEU 1222Cb 0.19 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3kg7 n LEU 1222CO 0.34 0.78 0.00 1.17 -1.33 0.00 0.00 177.39 178.35