#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg7 s VAL 938 N 0.00 -0.63 0.17 5.09 0.11 -1.26 -4.70 120.40 119.18 3kg7 s VAL 938 Ca 0.00 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.85 3kg7 s VAL 938 Cb 0.00 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 3kg7 s VAL 938 CO 0.00 0.04 1.35 -2.28 -3.33 0.00 0.00 175.10 170.89 3kg7 s HIS 939 N 2.50 3.23 0.28 1.54 2.46 -1.00 -4.90 115.29 119.39 3kg7 s HIS 939 Ca -0.04 1.09 0.01 0.00 0.47 0.00 0.00 55.06 56.60 3kg7 s HIS 939 Cb -0.11 -3.65 0.63 0.00 -0.13 0.00 0.00 32.58 29.31 3kg7 s HIS 939 CO -0.15 -2.16 1.73 0.00 -2.47 0.00 0.00 174.74 171.70 3kg7 h ARG 940 N 5.92 0.51 0.04 2.88 3.08 -1.93 0.08 114.38 124.96 3kg7 h ARG 940 Ca -0.44 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.41 3kg7 h ARG 940 Cb 1.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3kg7 h ARG 940 CO 0.81 0.34 -0.88 1.25 -1.07 0.00 0.00 179.97 180.42 3kg7 h LEU 941 N 0.53 0.13 0.00 3.04 5.85 -1.92 -3.40 115.31 119.54 3kg7 h LEU 941 Ca 0.51 -0.78 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3kg7 h LEU 941 Cb 0.84 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3kg7 h LEU 941 CO -0.44 1.37 -1.35 0.18 -0.34 0.00 0.00 178.44 177.86 3kg7 n LEU 942 N -4.33 0.83 0.00 2.25 4.77 -1.21 -5.07 117.00 114.25 3kg7 n LEU 942 Ca -0.22 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3kg7 n LEU 942 Cb 0.69 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3kg7 n LEU 942 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3kg7 n GLY 943 N 1.35 0.23 3.77 -0.72 0.00 0.01 -3.96 105.19 105.88 3kg7 n GLY 943 Ca -0.08 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 7.00 -0.19 1.61 0.01 -0.04 -2.38 114.94 116.96 3kg7 s ASN 944 Ca 0.00 1.20 -0.15 0.00 -0.71 0.00 0.00 52.86 53.19 3kg7 s ASN 944 Cb 0.00 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 3kg7 s ASN 944 CO 0.00 0.13 0.37 -0.75 -1.51 0.00 0.00 177.10 175.33 3kg7 s LYS 945 N -0.35 4.20 -0.10 -0.60 2.20 -1.26 -0.94 119.74 122.89 3kg7 s LYS 945 Ca 0.31 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 3kg7 s LYS 945 Cb -0.19 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3kg7 s LYS 945 CO 0.18 0.05 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.95 3kg7 s LEU 946 N 1.03 1.42 -0.25 5.43 2.96 0.54 -4.99 118.68 124.83 3kg7 s LEU 946 Ca 0.18 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 3kg7 s LEU 946 Cb -0.14 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 3kg7 s LEU 946 CO 0.07 -0.06 0.37 -1.61 -1.32 0.00 0.00 176.35 173.80 3kg7 s GLU 947 N 1.33 4.07 -0.21 1.98 2.02 -1.26 -0.52 118.70 126.12 3kg7 s GLU 947 Ca -0.01 0.08 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 3kg7 s GLU 947 Cb -0.14 -3.61 -0.00 0.00 0.10 0.00 0.00 34.13 30.48 3kg7 s GLU 947 CO -0.05 -0.18 0.90 -0.51 0.02 0.00 0.00 175.26 175.44 3kg7 s LEU 948 N 1.77 4.13 0.27 1.80 1.43 -0.05 -4.93 118.68 123.10 3kg7 s LEU 948 Ca 0.16 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 3kg7 s LEU 948 Cb -0.15 -3.32 0.38 0.00 0.03 0.00 0.00 46.19 43.12 3kg7 s LEU 948 CO 0.09 -0.51 1.72 0.00 0.23 0.00 0.00 176.35 177.88 3kg7 h ALA 949 N 7.46 1.08 -0.24 4.21 0.00 -1.97 -1.84 119.26 127.97 3kg7 h ALA 949 Ca -0.25 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 3kg7 h ALA 949 Cb 1.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kg7 h ALA 949 CO 0.89 0.56 -0.43 1.03 0.00 0.00 0.00 179.25 181.30 3kg7 h SER 950 N 0.51 0.80 0.00 0.00 0.87 -1.97 -3.38 113.55 110.38 3kg7 h SER 950 Ca 0.08 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 3kg7 h SER 950 Cb 0.63 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3kg7 h SER 950 CO 0.04 1.18 -1.62 0.35 -0.53 0.00 0.00 176.83 176.26 3kg7 n THR 951 N -4.17 0.44 -1.50 2.23 -2.24 -1.23 -4.99 114.28 102.82 3kg7 n THR 951 Ca -0.05 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 3kg7 n THR 951 Cb 0.56 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 2.19 0.40 3.93 3.38 0.00 -0.69 -4.75 105.19 109.64 3kg7 n GLY 952 Ca -0.11 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.02 2.57 -0.06 1.61 -0.21 -1.25 -4.14 119.66 115.16 3kg7 s GLN 953 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.20 3kg7 s GLN 953 Cb 0.00 -2.25 0.02 0.00 1.00 0.00 0.00 33.01 31.78 3kg7 s GLN 953 CO 0.00 -0.93 -0.07 0.99 -2.12 0.00 0.00 175.29 173.16 3kg7 s THR 954 N -3.08 0.76 -0.13 -0.19 2.01 -0.75 -0.87 115.64 113.40 3kg7 s THR 954 Ca 0.57 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 3kg7 s THR 954 Cb -0.11 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 3kg7 s THR 954 CO 0.44 0.28 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.93 3kg7 s ILE 955 N 1.01 3.35 -0.32 1.82 1.01 0.33 -0.69 121.20 127.70 3kg7 s ILE 955 Ca -0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 3kg7 s ILE 955 Cb -0.14 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.92 3kg7 s ILE 955 CO -0.00 0.53 0.12 -0.31 0.00 0.00 0.00 174.94 175.28 3kg7 s TYR 956 N 0.18 3.20 -0.04 3.97 2.02 -0.29 -0.34 117.35 126.05 3kg7 s TYR 956 Ca -0.05 -1.01 0.07 0.00 -0.37 0.00 0.00 57.07 55.70 3kg7 s TYR 956 Cb -0.15 -2.31 -0.01 0.00 -0.40 0.00 0.00 41.96 39.09 3kg7 s TYR 956 CO 0.04 -0.61 -0.24 -3.38 -1.57 0.00 0.00 175.55 169.79 3kg7 s HIS 957 N 1.51 2.27 0.20 2.71 -3.43 -0.12 -1.22 115.29 117.21 3kg7 s HIS 957 Ca 0.02 -0.57 -0.17 0.00 -0.80 0.00 0.00 55.06 53.53 3kg7 s HIS 957 Cb -0.18 -1.48 0.02 0.00 -1.43 0.00 0.00 32.58 29.51 3kg7 s HIS 957 CO 0.04 -0.14 0.51 1.14 -2.00 0.00 0.00 174.74 174.29 3kg7 s GLN 958 N -0.32 1.38 -0.31 -0.38 -2.07 -0.87 -0.86 119.66 116.24 3kg7 s GLN 958 Ca 0.02 -0.90 -0.12 0.00 -1.82 0.00 0.00 55.36 52.54 3kg7 s GLN 958 Cb -0.12 0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 3kg7 s GLN 958 CO 0.02 -0.58 0.21 -0.51 -1.32 0.00 0.00 175.29 173.11 3kg7 s ASP 959 N -2.89 6.03 -0.22 12.60 -0.00 -1.26 -0.64 116.67 130.29 3kg7 s ASP 959 Ca 0.10 -0.22 -0.14 0.00 -0.00 0.00 0.00 52.55 52.29 3kg7 s ASP 959 Cb -0.01 -2.13 -0.04 0.00 -0.00 0.00 0.00 42.92 40.74 3kg7 s ASP 959 CO -0.02 -0.14 0.31 -0.63 -0.00 0.00 0.00 175.17 174.69 3kg7 s ILE 960 N 1.74 5.25 0.30 0.77 1.01 0.23 -4.82 121.20 125.68 3kg7 s ILE 960 Ca 0.06 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 3kg7 s ILE 960 Cb -0.17 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.69 3kg7 s ILE 960 CO 0.11 0.28 0.52 -0.46 0.00 0.00 0.00 174.94 175.38 3kg7 n ASN 961 N 4.48 -1.50 0.26 3.58 0.23 -1.26 -0.86 115.26 120.19 3kg7 n ASN 961 Ca -0.11 -2.35 0.15 0.00 -0.53 0.00 0.00 54.58 51.75 3kg7 n ASN 961 Cb 0.51 2.58 0.60 0.00 -2.08 0.00 0.00 39.78 41.40 3kg7 n ASN 961 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3kg7 h LEU 962 N 0.00 0.00 0.21 -4.53 3.38 -1.79 0.36 115.31 112.95 3kg7 h LEU 962 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kg7 h LEU 962 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3kg7 h LEU 962 CO 0.31 0.05 -0.10 0.78 0.09 0.00 0.00 178.44 179.57 3kg7 h ASN 963 N 0.00 -0.24 -0.24 -0.43 4.21 -1.95 -2.17 115.58 114.77 3kg7 h ASN 963 Ca -0.00 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 3kg7 h ASN 963 Cb 0.60 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 3kg7 h ASN 963 CO 0.01 0.18 0.10 0.78 -1.29 0.00 0.00 177.43 177.21 3kg7 h ASN 964 N -0.71 0.33 -2.10 5.81 4.21 -1.85 -3.38 115.58 117.89 3kg7 h ASN 964 Ca -0.03 -0.16 -0.57 0.00 1.21 0.00 0.00 56.30 56.74 3kg7 h ASN 964 Cb 0.49 -0.09 -0.41 0.00 -1.12 0.00 0.00 38.32 37.20 3kg7 h ASN 964 CO 0.05 0.40 -0.87 1.41 -1.29 0.00 0.00 177.43 177.13 3kg7 n HIS 965 N -4.79 1.63 0.25 1.19 8.25 0.10 -4.95 115.22 116.89 3kg7 n HIS 965 Ca -0.03 -3.86 0.18 0.00 -0.26 0.00 0.00 57.72 53.75 3kg7 n HIS 965 Cb 0.13 -0.45 0.87 0.00 1.12 0.00 0.00 29.99 31.65 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 3.96 0.00 -0.16 -0.41 0.13 -1.58 -2.40 132.00 131.54 3kg7 h PRO 966 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kg7 h PRO 966 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3kg7 h PRO 966 CO 0.64 0.00 0.08 0.11 -0.23 0.00 0.00 178.00 178.60 3kg7 h TRP 967 N 0.00 0.21 -0.75 1.56 5.08 -1.92 -2.15 115.95 117.98 3kg7 h TRP 967 Ca 0.07 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.07 3kg7 h TRP 967 Cb 0.58 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 26.63 3kg7 h TRP 967 CO 0.00 0.16 0.49 0.82 -1.28 0.00 0.00 178.44 178.63 3kg7 h ILE 968 N 0.22 1.11 0.00 0.12 2.04 -1.79 0.28 117.51 119.48 3kg7 h ILE 968 Ca 0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3kg7 h ILE 968 Cb 0.02 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3kg7 h ILE 968 CO -0.01 0.16 0.01 1.23 0.00 0.00 0.00 178.15 179.55 3kg7 h GLY 969 N 0.90 0.00 -1.90 5.37 0.00 -1.59 -0.27 103.07 105.58 3kg7 h GLY 969 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3kg7 h GLY 969 CO -0.09 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.67 3kg7 n ASP 970 N -2.59 3.15 -4.11 0.19 8.00 0.08 -4.64 116.55 116.63 3kg7 n ASP 970 Ca -0.02 -1.91 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 3kg7 n ASP 970 Cb 0.06 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.27 3.62 -0.30 1.24 2.46 -0.11 0.75 115.29 121.68 3kg7 s HIS 971 Ca 0.32 -2.83 -0.08 0.00 0.47 0.00 0.00 55.06 52.94 3kg7 s HIS 971 Cb 0.19 -3.23 -0.01 0.00 -0.13 0.00 0.00 32.58 29.40 3kg7 s HIS 971 CO 0.26 -0.80 0.12 1.03 -2.47 0.00 0.00 174.74 172.88 3kg7 s ARG 972 N -0.62 3.31 -0.16 2.88 0.52 -0.90 -1.85 118.95 122.13 3kg7 s ARG 972 Ca 0.21 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3kg7 s ARG 972 Cb -0.14 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 3kg7 s ARG 972 CO -0.08 -0.39 -0.03 0.08 0.02 0.00 0.00 175.30 174.90 3kg7 s VAL 973 N 1.58 3.96 -1.53 3.52 1.01 -0.62 -1.44 120.40 126.89 3kg7 s VAL 973 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3kg7 s VAL 973 Cb -0.17 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.54 3kg7 s VAL 973 CO 0.05 0.49 0.68 -1.22 0.00 0.00 0.00 175.10 175.10 3kg7 n TYR 974 N 3.59 -1.84 -2.72 5.22 4.01 -0.61 -0.73 117.16 124.07 3kg7 n TYR 974 Ca -0.17 0.81 -0.15 0.00 -0.16 0.00 0.00 57.90 58.23 3kg7 n TYR 974 Cb 0.52 -3.57 -0.00 0.00 -0.31 0.00 0.00 39.34 35.98 3kg7 n TYR 974 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kg7 n ASP 975 N -2.85 -3.66 -4.12 7.72 -0.08 -1.26 -4.96 116.55 107.33 3kg7 n ASP 975 Ca -0.11 0.04 -0.30 0.00 -1.51 0.00 0.00 54.79 52.92 3kg7 n ASP 975 Cb 0.59 -3.10 -0.17 0.00 2.34 0.00 0.00 41.12 40.78 3kg7 n ASP 975 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3kg7 s THR 976 N -2.67 1.74 0.05 5.18 2.01 0.09 -5.06 115.64 116.98 3kg7 s THR 976 Ca 0.12 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 3kg7 s THR 976 Cb -0.06 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 3kg7 s THR 976 CO 0.15 0.49 1.93 -2.84 -0.69 0.00 0.00 174.62 173.66 3kg7 s PRO 977 N 0.74 4.14 0.00 4.92 0.02 -1.26 -1.59 135.00 141.98 3kg7 s PRO 977 Ca -0.11 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.53 3kg7 s PRO 977 Cb -0.16 -4.05 -0.01 0.00 0.02 0.00 0.00 34.50 30.30 3kg7 s PRO 977 CO 0.02 -0.93 -0.08 0.08 -0.33 0.00 0.00 177.00 175.76 3kg7 s VAL 978 N 4.13 0.62 -0.34 3.83 1.01 -0.77 -1.04 120.40 127.83 3kg7 s VAL 978 Ca 0.87 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 3kg7 s VAL 978 Cb -0.43 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3kg7 s VAL 978 CO 0.40 0.11 1.01 -0.63 0.00 0.00 0.00 175.10 175.99 3kg7 s ILE 979 N -0.33 4.54 0.39 2.22 1.01 -0.74 -4.74 121.20 123.55 3kg7 s ILE 979 Ca 0.02 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.90 3kg7 s ILE 979 Cb -0.04 -4.38 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 3kg7 s ILE 979 CO -0.00 -0.51 1.27 -2.16 0.00 0.00 0.00 174.94 173.54 3kg7 s PRO 980 N 3.59 4.05 0.28 2.79 0.04 -1.26 -4.57 135.00 139.92 3kg7 s PRO 980 Ca 0.42 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3kg7 s PRO 980 Cb -0.12 -2.80 0.64 0.00 0.04 0.00 0.00 34.50 32.26 3kg7 s PRO 980 CO 0.17 -0.40 1.67 0.78 0.04 0.00 0.00 177.00 179.26 3kg7 h GLY 981 N 2.80 1.29 1.70 0.56 0.00 -1.96 -1.22 103.07 106.24 3kg7 h GLY 981 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3kg7 h GLY 981 CO 0.63 -0.30 0.12 -0.39 0.00 0.00 0.00 176.54 176.61 3kg7 h VAL 982 N 0.26 0.00 -0.82 4.60 -1.51 -1.93 -1.77 116.25 115.08 3kg7 h VAL 982 Ca 0.51 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 66.04 3kg7 h VAL 982 Cb 0.98 0.55 -0.05 0.00 -2.13 0.00 0.00 31.29 30.63 3kg7 h VAL 982 CO -0.59 0.00 0.54 0.28 -1.23 0.00 0.00 177.57 176.57 3kg7 h SER 983 N 0.00 0.82 0.33 4.19 0.02 -1.48 -1.72 113.55 115.70 3kg7 h SER 983 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3kg7 h SER 983 Cb 0.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kg7 h SER 983 CO 0.00 0.54 -0.42 1.88 -1.14 0.00 0.00 176.83 177.69 3kg7 h TYR 984 N 0.94 0.14 -0.20 3.45 0.05 -1.53 -2.31 116.97 117.51 3kg7 h TYR 984 Ca 0.35 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 59.07 3kg7 h TYR 984 Cb 0.17 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3kg7 h TYR 984 CO -0.00 0.52 0.06 0.82 -1.05 0.00 0.00 178.16 178.51 3kg7 h ILE 985 N 0.10 1.19 0.00 -2.88 2.04 -1.49 -1.03 117.51 115.44 3kg7 h ILE 985 Ca 0.01 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3kg7 h ILE 985 Cb 0.78 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3kg7 h ILE 985 CO 0.06 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.40 3kg7 n ALA 986 N -2.26 0.61 0.00 1.87 0.00 -0.80 -0.72 120.51 119.20 3kg7 n ALA 986 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kg7 n ALA 986 Cb 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.16 0.00 -0.02 0.00 -1.04 -0.39 -1.05 114.28 111.94 3kg7 n THR 988 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3kg7 n THR 988 Cb 0.00 0.00 0.39 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.52 -0.99 -4.42 3.38 -1.18 -0.81 115.31 111.80 3kg7 h LEU 989 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3kg7 h LEU 989 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kg7 h LEU 989 CO 0.00 0.40 -0.49 0.00 0.09 0.00 0.00 178.44 178.44 3kg7 h ALA 990 N 1.69 1.16 -0.05 1.53 0.00 -1.33 -0.40 119.26 121.85 3kg7 h ALA 990 Ca 0.16 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 3kg7 h ALA 990 Cb -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kg7 h ALA 990 CO -0.03 0.62 -0.78 0.00 0.00 0.00 0.00 179.25 179.06 3kg7 h ALA 991 N 1.48 0.17 0.00 0.00 0.00 -1.47 -3.36 119.26 116.08 3kg7 h ALA 991 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kg7 h ALA 991 Cb 0.88 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kg7 h ALA 991 CO 0.07 0.55 -1.71 1.33 0.00 0.00 0.00 179.25 179.48 3kg7 n VAL 992 N -4.03 0.18 0.00 0.00 0.24 -0.58 -5.10 118.33 109.04 3kg7 n VAL 992 Ca -0.10 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3kg7 n VAL 992 Cb 0.75 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 1.24 -2.37 3.80 7.63 0.00 -0.16 -5.02 105.19 110.31 3kg7 n GLY 993 Ca -0.03 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.19 4.45 0.41 1.61 -7.23 -1.26 -4.23 120.40 110.97 3kg7 s VAL 994 Ca 0.00 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.73 3kg7 s VAL 994 Cb 0.00 -3.31 -0.08 0.00 0.56 0.00 0.00 36.38 33.55 3kg7 s VAL 994 CO 0.00 -0.18 1.19 -2.84 -0.31 0.00 0.00 175.10 172.96 3kg7 s PRO 995 N -3.32 3.98 0.16 4.82 0.02 -1.18 -4.91 135.00 134.56 3kg7 s PRO 995 Ca 0.31 1.88 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 3kg7 s PRO 995 Cb -0.09 -2.64 0.05 0.00 0.02 0.00 0.00 34.50 31.83 3kg7 s PRO 995 CO 0.24 -0.39 0.52 0.00 -0.33 0.00 0.00 177.00 177.04 3kg7 s ALA 996 N -1.41 -1.25 -0.03 -1.55 0.00 -0.83 -4.86 121.76 111.83 3kg7 s ALA 996 Ca 0.58 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.72 3kg7 s ALA 996 Cb -0.32 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.63 3kg7 s ALA 996 CO 0.40 -0.74 -0.06 0.00 0.00 0.00 0.00 175.76 175.35 3kg7 s ALA 997 N -3.79 0.67 -0.11 0.00 0.00 -1.26 -1.94 121.76 115.32 3kg7 s ALA 997 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3kg7 s ALA 997 Cb -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3kg7 s ALA 997 CO -0.10 0.06 -0.20 0.08 0.00 0.00 0.00 175.76 175.60 3kg7 s VAL 998 N 0.47 1.84 0.24 0.00 1.01 -1.26 -0.62 120.40 122.08 3kg7 s VAL 998 Ca -0.06 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3kg7 s VAL 998 Cb -0.10 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3kg7 s VAL 998 CO 0.00 0.51 -0.09 -1.83 0.00 0.00 0.00 175.10 173.69 3kg7 s GLU 999 N 0.69 1.41 -1.18 2.72 -1.05 0.13 -4.31 118.70 117.11 3kg7 s GLU 999 Ca -0.11 -1.68 -0.21 0.00 -0.15 0.00 0.00 54.97 52.82 3kg7 s GLU 999 Cb -0.16 -1.06 0.00 0.00 -0.44 0.00 0.00 34.13 32.47 3kg7 s GLU 999 CO 0.02 0.09 0.74 -0.25 0.95 0.00 0.00 175.26 176.80 3kg7 n ASP 1000N -0.46 -4.57 -4.70 0.83 9.92 -0.41 -1.03 116.55 116.13 3kg7 n ASP 1000Ca -0.07 -1.06 -0.40 0.00 -0.53 0.00 0.00 54.79 52.74 3kg7 n ASP 1000Cb 0.62 -3.08 -0.05 0.00 -0.64 0.00 0.00 41.12 37.97 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 5.06 -0.00 0.53 1.01 -0.44 -4.28 121.20 119.55 3kg7 s ILE 1001Ca 0.43 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.42 3kg7 s ILE 1001Cb -0.17 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3kg7 s ILE 1001CO 0.88 0.22 -0.16 0.20 0.00 0.00 0.00 174.94 176.08 3kg7 s ASN 1002N 0.89 1.87 -0.16 3.58 -0.87 0.00 -1.21 114.94 119.04 3kg7 s ASN 1002Ca 0.33 -0.32 -0.03 0.00 -1.57 0.00 0.00 52.86 51.27 3kg7 s ASN 1002Cb -0.17 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.25 40.85 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 -0.46 2.95 0.00 2.20 0.08 -0.83 -1.55 117.98 120.38 3kg7 s PHE 1003Ca 0.06 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.61 3kg7 s PHE 1003Cb -0.06 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3kg7 s PHE 1003CO -0.00 -0.17 0.00 1.04 -0.10 0.00 0.00 175.22 175.98 3kg7 n GLN 1004N 3.76 0.00 -2.43 0.44 3.00 -0.40 -4.82 117.38 116.93 3kg7 n GLN 1004Ca -0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 3kg7 n GLN 1004Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.73 3kg7 n GLN 1004CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 3kg7 s GLN 1005N 2.98 4.35 0.55 -1.09 -2.07 -1.19 -4.96 119.66 118.23 3kg7 s GLN 1005Ca 0.00 1.75 -0.20 0.00 -1.82 0.00 0.00 55.36 55.09 3kg7 s GLN 1005Cb 0.00 -2.88 -0.05 0.00 -1.09 0.00 0.00 33.01 28.99 3kg7 s GLN 1005CO 0.00 -0.04 1.17 -1.25 -1.32 0.00 0.00 175.29 173.85 3kg7 s PRO 1006N -1.97 3.28 -0.48 9.60 0.04 -1.26 -4.21 135.00 140.01 3kg7 s PRO 1006Ca 0.51 1.72 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 3kg7 s PRO 1006Cb -0.29 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3kg7 s PRO 1006CO 0.37 -0.93 0.82 -1.17 0.04 0.00 0.00 177.00 176.14 3kg7 s LEU 1007N -3.77 4.24 0.23 -3.56 0.20 -1.26 -5.03 118.68 109.73 3kg7 s LEU 1007Ca 0.73 -0.19 0.11 0.00 0.69 0.00 0.00 54.13 55.47 3kg7 s LEU 1007Cb -0.27 -2.93 -0.05 0.00 -0.43 0.00 0.00 46.19 42.51 3kg7 s LEU 1007CO 0.30 -1.00 -0.17 0.72 -0.29 0.00 0.00 176.35 175.92 3kg7 s PHE 1008N 3.44 2.41 -0.45 5.38 -0.12 -1.26 -1.79 117.98 125.59 3kg7 s PHE 1008Ca 0.30 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3kg7 s PHE 1008Cb -0.12 -1.11 0.12 0.00 -0.63 0.00 0.00 43.02 41.27 3kg7 s PHE 1008CO 0.22 0.60 0.22 -0.51 -0.05 0.00 0.00 175.22 175.70 3kg7 s LEU 1009N -3.15 4.98 0.07 -1.99 1.43 -0.20 -4.98 118.68 114.83 3kg7 s LEU 1009Ca 0.26 -2.38 -0.36 0.00 -1.03 0.00 0.00 54.13 50.63 3kg7 s LEU 1009Cb -0.07 -1.75 -0.19 0.00 0.03 0.00 0.00 46.19 44.22 3kg7 s LEU 1009CO 0.14 -0.42 1.59 0.00 0.23 0.00 0.00 176.35 177.89 3kg7 h ALA 1010N 7.50 -1.14 -2.25 4.21 0.00 -1.94 -3.37 119.26 122.27 3kg7 h ALA 1010Ca -0.08 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.12 3kg7 h ALA 1010Cb 1.00 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3kg7 h ALA 1010CO 0.65 -1.15 -0.47 -1.21 0.00 0.00 0.00 179.25 177.07 3kg7 s GLU 1011N -5.98 3.26 0.52 0.00 2.02 -1.26 -4.93 118.70 112.34 3kg7 s GLU 1011Ca -0.19 -0.84 0.28 0.00 0.02 0.00 0.00 54.97 54.24 3kg7 s GLU 1011Cb 0.03 -2.79 1.41 0.00 0.10 0.00 0.00 34.13 32.89 3kg7 s GLU 1011CO 0.61 0.43 1.93 0.66 0.02 0.00 0.00 175.26 178.92 3kg7 h SER 1012N 1.41 0.04 -0.32 -0.19 4.64 -2.05 -2.06 113.55 115.03 3kg7 h SER 1012Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3kg7 h SER 1012Cb 1.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kg7 h SER 1012CO 0.62 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 3kg7 n ASN 1013N -4.34 2.87 -4.70 4.97 0.23 -1.26 -4.62 115.26 108.41 3kg7 n ASN 1013Ca 0.15 -1.88 -0.43 0.00 -0.53 0.00 0.00 54.58 51.88 3kg7 n ASN 1013Cb 0.78 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 38.24 3kg7 n ASN 1013CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3kg7 n THR 1014N 0.76 0.07 -4.99 5.53 -1.04 -0.78 -5.00 114.28 108.85 3kg7 n THR 1014Ca 0.13 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 3kg7 n THR 1014Cb 0.43 -1.93 -0.16 0.00 -1.82 0.00 0.00 70.33 66.86 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 1.44 2.50 -0.21 12.58 2.01 -1.26 -4.49 115.64 128.21 3kg7 s THR 1015Ca 0.77 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 3kg7 s THR 1015Cb -0.54 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 69.98 3kg7 s THR 1015CO 0.34 0.54 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.57 3kg7 s ARG 1016N 0.38 3.10 -0.28 4.92 0.52 -0.04 -0.85 118.95 126.70 3kg7 s ARG 1016Ca -0.15 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 53.99 3kg7 s ARG 1016Cb -0.17 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 3kg7 s ARG 1016CO 0.07 -0.24 1.67 -2.00 0.02 0.00 0.00 175.30 174.82 3kg7 s GLU 1017N 1.36 3.59 -0.00 3.54 2.12 0.12 -0.60 118.70 128.82 3kg7 s GLU 1017Ca 0.04 1.50 0.05 0.00 0.36 0.00 0.00 54.97 56.92 3kg7 s GLU 1017Cb -0.14 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 3kg7 s GLU 1017CO -0.08 -1.55 -0.16 0.99 -0.54 0.00 0.00 175.26 173.92 3kg7 s THR 1018N 5.91 2.95 -0.05 -1.70 2.01 0.19 -1.72 115.64 123.23 3kg7 s THR 1018Ca 0.74 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3kg7 s THR 1018Cb -0.23 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.11 3kg7 s THR 1018CO 0.32 0.46 0.03 -1.10 -0.69 0.00 0.00 174.62 173.64 3kg7 s GLN 1019N -1.10 0.17 0.37 4.92 -0.21 0.51 -2.05 119.66 122.27 3kg7 s GLN 1019Ca 0.13 0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.81 3kg7 s GLN 1019Cb -0.11 -0.61 0.05 0.00 1.00 0.00 0.00 33.01 33.34 3kg7 s GLN 1019CO 0.03 -0.28 0.44 -0.11 -2.12 0.00 0.00 175.29 173.25 3kg7 n LEU 1020N 5.00 0.00 -3.15 2.90 0.00 -0.36 -0.82 117.00 120.57 3kg7 n LEU 1020Ca -0.09 -1.71 0.06 0.00 0.00 0.00 0.00 56.01 54.26 3kg7 n LEU 1020Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 3kg7 n LEU 1020CO 0.11 -0.58 0.65 -0.22 0.00 0.00 0.00 177.39 177.34 3kg7 s LEU 1022N 0.00 -0.30 0.70 -1.96 2.96 0.13 -1.14 118.68 119.07 3kg7 s LEU 1022Ca 0.33 0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3kg7 s LEU 1022Cb -0.03 1.24 0.01 0.00 0.50 0.00 0.00 46.19 47.92 3kg7 s LEU 1022CO 0.21 -0.06 1.06 -1.00 -1.32 0.00 0.00 176.35 175.25 3kg7 s HIS 1023N 2.97 3.04 0.31 5.38 3.76 0.80 -1.80 115.29 129.74 3kg7 s HIS 1023Ca 0.00 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.07 3kg7 s HIS 1023Cb -0.08 -2.91 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 3kg7 s HIS 1023CO -0.11 -1.30 1.20 -0.08 -0.85 0.00 0.00 174.74 173.59 3kg7 s THR 1024N -2.99 3.12 0.37 1.30 -1.32 -1.26 -4.45 115.64 110.41 3kg7 s THR 1024Ca 0.59 1.13 -0.27 0.00 -1.21 0.00 0.00 61.69 61.93 3kg7 s THR 1024Cb -0.15 -3.72 -0.11 0.00 -1.51 0.00 0.00 72.50 67.01 3kg7 s THR 1024CO 0.54 0.27 1.27 0.00 -2.21 0.00 0.00 174.62 174.49 3kg7 n ALA 1025N 0.99 1.26 -1.62 11.08 0.00 -1.26 -4.74 120.51 126.22 3kg7 n ALA 1025Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3kg7 n ALA 1025Cb 0.43 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.56 0.00 -0.20 0.00 3.85 -0.43 -4.85 116.55 115.49 3kg7 n ASP 1026Ca 0.05 -0.70 -0.01 0.00 -0.71 0.00 0.00 54.79 53.42 3kg7 n ASP 1026Cb 0.37 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.36 3kg7 n ASP 1026CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3kg7 h ASN 1027N 0.00 0.86 0.70 -1.12 2.35 -1.95 -0.57 115.58 115.85 3kg7 h ASN 1027Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3kg7 h ASN 1027Cb 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.15 3kg7 h ASN 1027CO 0.00 0.69 -0.05 0.52 -1.65 0.00 0.00 177.43 176.94 3kg7 n VAL 1028N -4.37 0.00 -0.66 2.81 0.31 -1.26 -4.92 118.33 110.24 3kg7 n VAL 1028Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3kg7 n VAL 1028Cb 0.10 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 1.38 0.66 3.79 2.92 0.00 -0.22 -4.74 105.19 108.98 3kg7 n GLY 1029Ca 0.11 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.38 4.45 -0.24 1.61 1.02 -1.26 -4.29 119.74 120.64 3kg7 s LYS 1030Ca 0.00 1.33 -0.03 0.00 0.02 0.00 0.00 55.97 57.29 3kg7 s LYS 1030Cb 0.00 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3kg7 s LYS 1030CO 0.00 0.15 -0.03 -0.65 -0.92 0.00 0.00 175.35 173.90 3kg7 s GLN 1031N -2.31 3.10 0.31 1.68 -0.21 -1.03 -1.31 119.66 119.89 3kg7 s GLN 1031Ca 0.53 -0.81 -0.28 0.00 0.02 0.00 0.00 55.36 54.83 3kg7 s GLN 1031Cb -0.18 -3.06 -0.09 0.00 1.00 0.00 0.00 33.01 30.68 3kg7 s GLN 1031CO 0.23 -0.32 1.04 0.12 -2.12 0.00 0.00 175.29 174.24 3kg7 s PHE 1032N 1.42 3.59 -0.03 0.91 5.36 -1.26 -0.59 117.98 127.38 3kg7 s PHE 1032Ca 0.03 1.74 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 3kg7 s PHE 1032Cb -0.16 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 3kg7 s PHE 1032CO -0.03 -0.31 -0.11 0.08 -1.46 0.00 0.00 175.22 173.39 3kg7 s VAL 1033N -1.33 0.95 0.00 3.12 1.01 -1.26 -0.14 120.40 122.76 3kg7 s VAL 1033Ca 0.48 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 3kg7 s VAL 1033Cb -0.27 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3kg7 s VAL 1033CO 0.35 0.29 -0.00 -1.83 0.00 0.00 0.00 175.10 173.90 3kg7 s GLU 1034N 0.12 0.10 -0.18 2.72 -1.05 -1.26 -4.28 118.70 114.86 3kg7 s GLU 1034Ca -0.03 -0.17 -0.00 0.00 -0.15 0.00 0.00 54.97 54.62 3kg7 s GLU 1034Cb -0.09 0.04 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 3kg7 s GLU 1034CO 0.01 -0.02 -0.15 0.08 0.95 0.00 0.00 175.26 176.13 3kg7 s VAL 1035N -0.43 2.55 0.16 1.83 1.01 -0.35 -4.34 120.40 120.84 3kg7 s VAL 1035Ca -0.05 -0.78 0.11 0.00 0.00 0.00 0.00 61.98 61.25 3kg7 s VAL 1035Cb -0.03 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3kg7 s VAL 1035CO -0.00 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.00 3kg7 s PHE 1036N 1.18 2.19 0.06 5.22 0.08 -0.00 -0.48 117.98 126.23 3kg7 s PHE 1036Ca 0.02 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 3kg7 s PHE 1036Cb -0.14 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3kg7 s PHE 1036CO -0.06 0.40 0.15 -1.54 -0.10 0.00 0.00 175.22 174.07 3kg7 s SER 1037N -2.41 0.14 0.05 1.36 1.04 0.02 -0.36 113.70 113.54 3kg7 s SER 1037Ca 0.17 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3kg7 s SER 1037Cb -0.09 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 3kg7 s SER 1037CO 0.08 -0.64 -0.00 0.00 0.98 0.00 0.00 173.24 173.66 3kg7 s ARG 1038N -3.32 0.56 0.31 4.02 1.70 -0.70 -0.28 118.95 121.25 3kg7 s ARG 1038Ca 0.01 -1.04 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 3kg7 s ARG 1038Cb 0.03 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.50 3kg7 s ARG 1038CO -0.08 -0.11 1.52 0.34 -1.08 0.00 0.00 175.30 175.89 3kg7 s ASP 1039N -2.55 6.44 0.03 -2.89 2.15 -1.26 -0.71 116.67 117.88 3kg7 s ASP 1039Ca 0.01 2.91 -0.19 0.00 0.43 0.00 0.00 52.55 55.72 3kg7 s ASP 1039Cb 0.03 -2.64 -0.10 0.00 -0.30 0.00 0.00 42.92 39.91 3kg7 s ASP 1039CO -0.08 -0.84 1.28 1.23 -0.17 0.00 0.00 175.17 176.59 3kg7 h GLY 1040N 4.28 -0.74 0.00 2.66 0.00 -1.33 -3.21 103.07 104.72 3kg7 h GLY 1040Ca -0.48 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kg7 h GLY 1040CO 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 177.01 3kg7 n ALA 1041N -2.36 -0.36 0.25 3.60 0.00 -1.26 -3.58 120.51 116.80 3kg7 n ALA 1041Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.54 3kg7 n ALA 1041Cb 0.27 0.02 0.87 0.00 0.00 0.00 0.00 19.45 20.61 3kg7 n ALA 1041CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kg7 h LYS 1042N 0.00 0.00 -5.66 0.00 1.57 -1.97 -3.46 116.57 107.06 3kg7 h LYS 1042Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3kg7 h LYS 1042Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kg7 h LYS 1042CO 0.00 0.00 -0.23 1.04 -0.57 0.00 0.00 179.45 179.69 3kg7 n GLN 1043N -3.34 -1.37 -1.70 3.15 1.13 -1.21 -5.03 117.38 109.01 3kg7 n GLN 1043Ca 0.01 1.35 -0.17 0.00 -1.94 0.00 0.00 57.00 56.24 3kg7 n GLN 1043Cb 0.36 -5.05 0.10 0.00 0.11 0.00 0.00 30.24 25.76 3kg7 n GLN 1043CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kg7 n GLU 1044N -1.94 -0.25 -2.75 -1.09 2.13 -1.26 -5.03 120.64 110.45 3kg7 n GLU 1044Ca -0.07 -1.68 -0.36 0.00 0.66 0.00 0.00 57.16 55.72 3kg7 n GLU 1044Cb 0.54 -0.63 -0.06 0.00 0.27 0.00 0.00 31.44 31.56 3kg7 n GLU 1044CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3kg7 s GLU 1045N -4.50 4.39 0.25 5.31 2.56 -1.26 -4.78 118.70 120.66 3kg7 s GLU 1045Ca 0.47 1.29 -0.30 0.00 0.00 0.00 0.00 54.97 56.43 3kg7 s GLU 1045Cb -0.02 -2.54 -0.10 0.00 2.00 0.00 0.00 34.13 33.47 3kg7 s GLU 1045CO 0.32 0.10 1.40 -1.58 -0.56 0.00 0.00 175.26 174.94 3kg7 s TRP 1046N -1.81 3.06 -0.09 5.30 0.52 -1.26 -4.73 118.94 119.92 3kg7 s TRP 1046Ca 0.56 1.10 0.02 0.00 0.02 0.00 0.00 56.10 57.79 3kg7 s TRP 1046Cb -0.16 -3.77 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 3kg7 s TRP 1046CO 0.21 -2.45 -0.14 -0.65 0.02 0.00 0.00 176.95 173.93 3kg7 s GLN 1047N -0.46 2.99 0.04 4.98 -0.21 0.62 -4.95 119.66 122.67 3kg7 s GLN 1047Ca 0.58 -0.71 -0.18 0.00 0.02 0.00 0.00 55.36 55.08 3kg7 s GLN 1047Cb -0.41 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 3kg7 s GLN 1047CO 0.43 0.38 0.51 -1.14 -2.12 0.00 0.00 175.29 173.36 3kg7 s GLN 1048N -0.10 4.11 -0.06 2.91 0.74 -1.26 -0.80 119.66 125.20 3kg7 s GLN 1048Ca -0.02 0.62 0.06 0.00 0.05 0.00 0.00 55.36 56.07 3kg7 s GLN 1048Cb -0.14 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.66 3kg7 s GLN 1048CO 0.04 0.65 0.03 0.72 -0.55 0.00 0.00 175.29 176.17 3kg7 n HIS 1049N 1.80 0.00 -3.62 1.67 8.25 0.37 -3.17 115.22 120.52 3kg7 n HIS 1049Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 3kg7 n HIS 1049Cb 0.51 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.18 -1.30 0.08 -1.41 0.00 -1.19 -1.28 121.76 114.49 3kg7 s ALA 1050Ca -0.03 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 3kg7 s ALA 1050Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3kg7 s ALA 1050CO 0.26 -0.37 0.02 -1.54 0.00 0.00 0.00 175.76 174.13 3kg7 s SER 1051N -1.47 0.39 -0.05 0.00 1.04 -0.60 -1.22 113.70 111.80 3kg7 s SER 1051Ca -0.10 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.33 3kg7 s SER 1051Cb -0.02 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3kg7 s SER 1051CO 0.05 -0.66 -0.15 -0.44 0.98 0.00 0.00 173.24 173.02 3kg7 s SER 1053N -2.96 2.00 -0.10 7.02 0.01 -0.19 -0.82 113.70 118.66 3kg7 s SER 1053Ca 0.12 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.75 3kg7 s SER 1053Cb 0.07 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 3kg7 s SER 1053CO -0.06 0.10 1.12 -0.69 0.41 0.00 0.00 173.24 174.12 3kg7 s VAL 1054N 0.31 4.49 0.52 3.43 1.01 0.24 0.20 120.40 130.60 3kg7 s VAL 1054Ca -0.09 1.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 3kg7 s VAL 1054Cb -0.13 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 3kg7 s VAL 1054CO 0.03 -0.03 1.29 -0.55 0.00 0.00 0.00 175.10 175.84 3kg7 s SER 1055N 1.36 5.54 0.00 3.32 0.15 0.21 -2.47 113.70 121.81 3kg7 s SER 1055Ca 0.52 2.60 0.27 0.00 0.70 0.00 0.00 55.95 60.03 3kg7 s SER 1055Cb -0.21 -2.62 1.17 0.00 -1.71 0.00 0.00 66.02 62.64 3kg7 s SER 1055CO 0.18 -1.37 1.87 -1.84 1.20 0.00 0.00 173.24 173.28 3kg7 n GLU 1056N -0.90 0.03 -3.84 5.44 0.00 -1.26 -4.69 120.64 115.42 3kg7 n GLU 1056Ca 0.10 0.04 -0.36 0.00 0.00 0.00 0.00 57.16 56.93 3kg7 n GLU 1056Cb 0.46 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.27 3kg7 n GLU 1056CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3kg7 s ASN 1057N -2.97 4.78 0.19 -1.84 0.01 -1.26 -5.01 114.94 108.84 3kg7 s ASN 1057Ca 0.14 -0.75 -0.32 0.00 -0.71 0.00 0.00 52.86 51.22 3kg7 s ASN 1057Cb 0.18 -1.79 -0.16 0.00 0.41 0.00 0.00 41.25 39.89 3kg7 s ASN 1057CO 0.48 -0.16 1.05 -0.81 -1.51 0.00 0.00 177.10 176.15 3kg7 n PRO 1058N 4.79 0.99 -1.39 -0.60 -0.04 -1.26 -4.57 135.00 132.91 3kg7 n PRO 1058Ca -0.15 0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 63.30 3kg7 n PRO 1058Cb 0.48 -1.76 0.09 0.00 -0.04 0.00 0.00 33.50 32.26 3kg7 n PRO 1058CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3kg7 n PRO 1059N 1.44 0.58 -2.17 0.54 -0.04 -1.26 -4.95 135.00 129.14 3kg7 n PRO 1059Ca 0.15 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.48 3kg7 n PRO 1059Cb 0.25 -2.32 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 3kg7 n PRO 1059CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kg7 s PRO 1060N -3.46 3.82 0.27 0.54 0.04 -1.26 -4.94 135.00 130.00 3kg7 s PRO 1060Ca 0.75 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 3kg7 s PRO 1060Cb -0.34 -2.54 -0.13 0.00 0.04 0.00 0.00 34.50 31.53 3kg7 s PRO 1060CO 0.48 -0.55 1.45 -0.35 0.04 0.00 0.00 177.00 178.08 3kg7 n PRO 1061N -0.26 2.25 -1.61 0.56 -0.04 -1.26 -4.87 135.00 129.77 3kg7 n PRO 1061Ca 0.06 0.80 -0.46 0.00 -0.04 0.00 0.00 63.50 63.86 3kg7 n PRO 1061Cb 0.46 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 3kg7 n PRO 1061CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3kg7 n PRO 1062N 1.92 1.46 -0.04 0.54 -0.04 -1.26 -4.95 135.00 132.64 3kg7 n PRO 1062Ca 0.10 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 64.02 3kg7 n PRO 1062Cb 0.33 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 3kg7 n PRO 1062CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3kg7 n THR 1063N 1.18 0.50 -2.02 0.52 5.66 -1.26 -4.96 114.28 113.90 3kg7 n THR 1063Ca 0.12 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 3kg7 n THR 1063Cb 0.29 -0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 3kg7 n THR 1063CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kg7 s LEU 1064N -5.35 4.29 0.54 1.09 2.96 -1.26 -4.97 118.68 115.98 3kg7 s LEU 1064Ca -0.11 2.20 0.09 0.00 -0.22 0.00 0.00 54.13 56.09 3kg7 s LEU 1064Cb 0.03 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.25 3kg7 s LEU 1064CO 0.22 -0.94 0.72 -0.55 -1.32 0.00 0.00 176.35 174.47 3kg7 s SER 1065N 3.39 5.14 -0.28 3.68 0.15 -1.26 -1.86 113.70 122.66 3kg7 s SER 1065Ca 0.73 -0.82 -0.19 0.00 0.70 0.00 0.00 55.95 56.38 3kg7 s SER 1065Cb -0.33 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.24 3kg7 s SER 1065CO 0.29 -1.22 0.87 -0.69 1.20 0.00 0.00 173.24 173.69 3kg7 s VAL 1066N -2.62 0.00 -0.53 4.45 1.01 -0.70 -4.91 120.40 117.09 3kg7 s VAL 1066Ca 0.58 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 3kg7 s VAL 1066Cb -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3kg7 s VAL 1066CO 0.36 0.00 1.06 -0.62 0.00 0.00 0.00 175.10 175.90 3kg7 s ASP 1067N 1.12 6.46 0.09 3.32 3.68 -1.26 -4.26 116.67 125.81 3kg7 s ASP 1067Ca -0.06 0.04 -0.14 0.00 2.13 0.00 0.00 52.55 54.51 3kg7 s ASP 1067Cb -0.04 -2.50 -0.13 0.00 -1.45 0.00 0.00 42.92 38.80 3kg7 s ASP 1067CO -0.13 -1.29 1.34 -0.29 0.13 0.00 0.00 175.17 174.93 3kg7 h ILE 1068N 6.12 1.31 0.00 4.11 6.09 -1.93 -2.84 117.51 130.36 3kg7 h ILE 1068Ca -0.25 -1.73 -0.03 0.00 -1.37 0.00 0.00 64.86 61.48 3kg7 h ILE 1068Cb 1.07 1.85 -0.00 0.00 0.47 0.00 0.00 36.82 40.20 3kg7 h ILE 1068CO 1.12 0.55 -0.13 -0.65 -3.07 0.00 0.00 178.15 175.96 3kg7 h PRO 1069N 0.43 0.00 -0.11 2.19 0.11 -1.93 -2.64 132.00 130.05 3kg7 h PRO 1069Ca -0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3kg7 h PRO 1069Cb 1.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kg7 h PRO 1069CO 0.11 0.13 -0.84 0.00 -0.21 0.00 0.00 178.00 177.20 3kg7 h ALA 1070N 1.87 0.31 -0.52 -0.75 0.00 -1.96 -3.00 119.26 115.20 3kg7 h ALA 1070Ca -0.00 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.31 3kg7 h ALA 1070Cb 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3kg7 h ALA 1070CO 0.02 0.70 0.30 -0.07 0.00 0.00 0.00 179.25 180.20 3kg7 h LEU 1071N 0.47 0.49 0.00 0.00 4.07 -1.23 -1.72 115.31 117.38 3kg7 h LEU 1071Ca -0.07 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3kg7 h LEU 1071Cb 1.46 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.11 3kg7 h LEU 1071CO 0.17 0.34 0.00 0.00 -1.08 0.00 0.00 178.44 177.87 3kg7 n GLU 1073N -0.72 3.61 -0.00 0.00 2.13 -0.70 -4.58 120.64 120.38 3kg7 n GLU 1073Ca 0.10 -0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.95 3kg7 n GLU 1073Cb 0.05 -0.97 -0.05 0.00 0.27 0.00 0.00 31.44 30.74 3kg7 n GLU 1073CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kg7 n GLN 1074N -1.27 2.80 -1.71 5.31 10.64 -0.91 -5.02 117.38 127.22 3kg7 n GLN 1074Ca 0.02 -0.03 -0.12 0.00 -1.83 0.00 0.00 57.00 55.04 3kg7 n GLN 1074Cb 0.16 -0.98 0.06 0.00 -0.86 0.00 0.00 30.24 28.62 3kg7 n GLN 1074CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kg7 n LEU 1075N -1.41 0.00 -3.75 2.61 4.77 -0.67 -5.03 117.00 113.52 3kg7 n LEU 1075Ca 0.00 -1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 54.58 3kg7 n LEU 1075Cb 0.14 -0.31 -0.17 0.00 -2.33 0.00 0.00 43.42 40.75 3kg7 n LEU 1075CO 0.15 -0.73 -0.37 -0.13 -1.33 0.00 0.00 177.39 174.98 3kg7 s ARG 1076N -3.71 0.67 0.59 3.23 0.52 -1.23 -4.96 118.95 114.05 3kg7 s ARG 1076Ca 0.34 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.11 3kg7 s ARG 1076Cb -0.02 -1.75 -0.06 0.00 0.52 0.00 0.00 34.95 33.64 3kg7 s ARG 1076CO 0.22 -0.53 0.90 -2.30 0.02 0.00 0.00 175.30 173.62 3kg7 n PRO 1077N 5.08 0.86 -4.01 3.54 -0.02 -1.26 -3.17 135.00 136.02 3kg7 n PRO 1077Ca -0.08 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.44 3kg7 n PRO 1077Cb 0.48 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3kg7 n PRO 1077CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kg7 s LEU 1078N -1.53 3.99 -0.18 2.45 1.43 0.16 -4.90 118.68 120.10 3kg7 s LEU 1078Ca 0.74 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 3kg7 s LEU 1078Cb -0.43 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3kg7 s LEU 1078CO 0.49 0.14 0.77 -0.62 0.23 0.00 0.00 176.35 177.36 3kg7 s ASP 1079N -2.66 6.88 0.53 2.29 2.15 -1.26 -4.59 116.67 120.00 3kg7 s ASP 1079Ca 0.32 1.08 0.18 0.00 0.43 0.00 0.00 52.55 54.55 3kg7 s ASP 1079Cb -0.12 -2.42 1.34 0.00 -0.30 0.00 0.00 42.92 41.42 3kg7 s ASP 1079CO 0.24 -0.37 2.16 0.71 -0.17 0.00 0.00 175.17 177.75 3kg7 h THR 1080N 5.19 0.94 -0.88 1.71 1.35 -1.97 -1.89 112.91 117.36 3kg7 h THR 1080Ca -0.30 -0.02 0.09 0.00 -0.55 0.00 0.00 66.41 65.63 3kg7 h THR 1080Cb 1.13 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.50 3kg7 h THR 1080CO 0.82 0.01 0.57 0.44 -0.25 0.00 0.00 175.52 177.11 3kg7 h ASP 1081N 0.00 0.80 -0.75 5.36 3.32 -1.99 -0.75 116.42 122.40 3kg7 h ASP 1081Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kg7 h ASP 1081Cb 0.01 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3kg7 h ASP 1081CO 0.00 0.48 0.50 0.74 -1.72 0.00 0.00 179.24 179.24 3kg7 h THR 1082N 0.89 1.19 -0.10 0.35 2.02 -1.76 -2.06 112.91 113.45 3kg7 h THR 1082Ca 0.40 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 3kg7 h THR 1082Cb 0.37 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3kg7 h THR 1082CO -0.17 0.19 -0.66 -0.07 0.37 0.00 0.00 175.52 175.18 3kg7 h LEU 1083N 1.02 0.75 -1.30 2.58 3.38 -1.35 -3.10 115.31 117.30 3kg7 h LEU 1083Ca 0.28 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.65 3kg7 h LEU 1083Cb -0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 3kg7 h LEU 1083CO -0.06 1.29 0.51 0.74 0.09 0.00 0.00 178.44 181.01 3kg7 h THR 1084N 0.27 1.05 -0.46 0.22 2.02 -0.81 -1.49 112.91 113.70 3kg7 h THR 1084Ca -0.05 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 3kg7 h THR 1084Cb 1.30 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3kg7 h THR 1084CO 0.13 0.16 -0.23 -0.33 0.37 0.00 0.00 175.52 175.62 3kg7 h GLU 1085N 0.86 0.96 -0.35 6.66 5.08 -1.42 -0.84 114.58 125.53 3kg7 h GLU 1085Ca 0.33 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kg7 h GLU 1085Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3kg7 h GLU 1085CO -0.11 1.08 0.21 0.82 -1.00 0.00 0.00 179.01 180.01 3kg7 h ILE 1086N 0.82 1.12 -0.27 3.13 2.04 -1.23 -0.12 117.51 123.00 3kg7 h ILE 1086Ca 0.10 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3kg7 h ILE 1086Cb 0.80 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3kg7 h ILE 1086CO 0.07 0.12 0.14 1.88 0.00 0.00 0.00 178.15 180.36 3kg7 h TYR 1087N 0.46 0.38 -0.22 1.37 0.05 -1.26 -1.97 116.97 115.78 3kg7 h TYR 1087Ca 0.13 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.96 3kg7 h TYR 1087Cb 0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3kg7 h TYR 1087CO -0.04 0.34 0.16 0.00 -1.05 0.00 0.00 178.16 177.57 3kg7 h ALA 1088N 1.01 2.17 0.00 3.88 0.00 -0.60 0.23 119.26 125.95 3kg7 h ALA 1088Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kg7 h ALA 1088Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kg7 h ALA 1088CO -0.01 -0.28 0.00 0.77 0.00 0.00 0.00 179.25 179.73 3kg7 h SER 1089N 0.00 0.00 -0.31 0.00 0.02 -0.24 -2.31 113.55 110.70 3kg7 h SER 1089Ca 0.11 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 3kg7 h SER 1089Cb 0.43 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 3kg7 h SER 1089CO -0.00 0.00 -0.06 2.30 -1.14 0.00 0.00 176.83 177.93 3kg7 n ILE 1090N -2.88 2.46 -3.03 3.27 -5.35 -0.29 -3.21 119.36 110.33 3kg7 n ILE 1090Ca 0.02 -2.53 -0.23 0.00 -0.27 0.00 0.00 62.75 59.75 3kg7 n ILE 1090Cb 0.37 -0.30 0.03 0.00 -1.74 0.00 0.00 39.64 38.00 3kg7 n ILE 1090CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3kg7 n SER 1091N -1.00 -6.06 -4.30 7.28 7.64 -0.87 -3.71 113.62 112.59 3kg7 n SER 1091Ca 0.30 -0.29 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 3kg7 n SER 1091Cb 0.98 -4.90 -0.15 0.00 -1.01 0.00 0.00 64.21 59.13 3kg7 n SER 1091CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kg7 s LEU 1092N -6.69 2.45 -0.06 -3.43 2.96 0.67 -1.58 118.68 113.00 3kg7 s LEU 1092Ca 0.31 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3kg7 s LEU 1092Cb -0.14 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.05 3kg7 s LEU 1092CO 0.38 0.16 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.85 3kg7 s VAL 1093N 0.38 0.50 -0.38 1.68 1.01 -0.52 -2.12 120.40 120.96 3kg7 s VAL 1093Ca -0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3kg7 s VAL 1093Cb -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3kg7 s VAL 1093CO 0.07 0.24 0.41 -0.31 0.00 0.00 0.00 175.10 175.51 3kg7 s TYR 1094N 1.34 3.19 0.94 5.22 1.51 -1.26 -2.11 117.35 126.19 3kg7 s TYR 1094Ca -0.04 -0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.69 3kg7 s TYR 1094Cb -0.13 -2.80 0.17 0.00 -0.11 0.00 0.00 41.96 39.09 3kg7 s TYR 1094CO -0.02 -0.57 1.25 0.20 -1.11 0.00 0.00 175.55 175.30 3kg7 s GLY 1095N 1.77 1.70 0.00 0.71 0.00 0.23 -4.73 107.32 107.00 3kg7 s GLY 1095Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3kg7 s GLY 1095CO 0.13 -0.28 0.00 -1.05 0.00 0.00 0.00 173.10 171.89 3kg7 n PRO 1096N -3.76 0.00 0.00 2.90 -0.02 -1.26 -2.29 135.00 130.57 3kg7 n PRO 1096Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3kg7 n PRO 1096Cb 0.60 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kg7 n PRO 1096CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kg7 n LEU 1098N 0.42 0.00 -4.15 2.45 7.99 -1.26 -4.54 117.00 117.91 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 2.24 0.00 -1.51 0.00 0.00 177.39 178.12 3kg7 n GLN 1099N 0.00 2.77 0.00 3.23 6.02 -0.97 -4.60 117.38 123.83 3kg7 n GLN 1099Ca 0.00 -2.81 0.11 0.00 -0.01 0.00 0.00 57.00 54.29 3kg7 n GLN 1099Cb 0.00 -3.38 -0.03 0.00 1.02 0.00 0.00 30.24 27.85 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 7.89 4.27 -2.73 -1.58 0.00 -1.26 -4.50 120.51 122.60 3kg7 n ALA 1100Ca 0.50 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3kg7 n ALA 1100Cb 0.43 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.86 4.20 0.03 0.00 1.01 -1.26 -1.12 120.40 120.39 3kg7 s VAL 1101Ca 0.12 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3kg7 s VAL 1101Cb 0.17 -4.70 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 3kg7 s VAL 1101CO 0.77 -1.46 1.25 -0.09 0.00 0.00 0.00 175.10 175.56 3kg7 h ARG 1102N 9.60 0.41 -2.96 2.72 2.43 -1.06 -3.47 114.38 122.05 3kg7 h ARG 1102Ca -0.28 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.47 3kg7 h ARG 1102Cb 1.07 0.05 -0.21 0.00 -0.42 0.00 0.00 29.97 30.45 3kg7 h ARG 1102CO 1.18 0.92 -0.27 -1.14 -1.51 0.00 0.00 179.97 179.15 3kg7 s GLN 1103N -3.84 0.61 -0.03 0.20 2.00 -1.14 -5.00 119.66 112.47 3kg7 s GLN 1103Ca -0.14 0.01 0.04 0.00 -2.00 0.00 0.00 55.36 53.27 3kg7 s GLN 1103Cb 0.05 0.28 -0.01 0.00 0.80 0.00 0.00 33.01 34.13 3kg7 s GLN 1103CO 0.79 -0.15 -0.14 0.00 -0.50 0.00 0.00 175.29 175.28 3kg7 s ALA 1104N -0.91 1.25 0.14 1.58 0.00 -1.26 -0.15 121.76 122.41 3kg7 s ALA 1104Ca -0.10 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.36 3kg7 s ALA 1104Cb -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3kg7 s ALA 1104CO 0.03 0.26 -0.21 -1.58 0.00 0.00 0.00 175.76 174.26 3kg7 s TRP 1105N -0.09 1.92 -0.01 0.00 0.51 0.40 0.37 118.94 122.04 3kg7 s TRP 1105Ca 0.00 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.56 3kg7 s TRP 1105Cb -0.08 -1.00 0.01 0.00 -0.81 0.00 0.00 33.47 31.58 3kg7 s TRP 1105CO 0.01 0.30 0.01 -1.50 -0.51 0.00 0.00 176.95 175.26 3kg7 s ILE 1106N -1.54 -0.02 0.20 2.03 1.10 -1.19 -1.94 121.20 119.84 3kg7 s ILE 1106Ca 0.12 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.36 3kg7 s ILE 1106Cb -0.08 -0.04 0.00 0.00 0.15 0.00 0.00 42.46 42.49 3kg7 s ILE 1106CO 0.06 0.04 0.01 0.61 -2.11 0.00 0.00 174.94 173.55 3kg7 n GLY 1107N 3.55 3.89 0.13 1.50 0.00 0.46 -3.50 105.19 111.22 3kg7 n GLY 1107Ca -0.19 -2.27 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 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 0.24 0.00 1.61 5.08 -1.99 -3.38 114.58 116.14 3kg7 h GLU 1108Ca -0.16 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 3kg7 h GLU 1108Cb 0.50 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3kg7 h GLU 1108CO 0.27 1.02 -1.51 0.39 -1.00 0.00 0.00 179.01 178.18 3kg7 n GLU 1109N -3.65 1.17 -4.38 2.33 1.02 -1.26 -4.86 120.64 111.01 3kg7 n GLU 1109Ca -0.05 -0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.84 3kg7 n GLU 1109Cb 0.84 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.93 3kg7 n GLU 1109CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kg7 s THR 1110N -2.49 1.72 0.02 2.62 -4.23 -1.26 -3.61 115.64 108.41 3kg7 s THR 1110Ca -0.04 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.28 3kg7 s THR 1110Cb 0.05 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3kg7 s THR 1110CO 0.39 -0.48 -0.02 -0.94 -0.54 0.00 0.00 174.62 173.03 3kg7 s SER 1111N -3.37 0.27 -0.04 3.99 1.04 -0.54 -0.40 113.70 114.65 3kg7 s SER 1111Ca 0.25 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 3kg7 s SER 1111Cb 0.01 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.28 3kg7 s SER 1111CO 0.09 -0.35 0.09 -0.22 0.98 0.00 0.00 173.24 173.83 3kg7 s LEU 1112N -1.68 1.00 -0.12 2.42 2.96 -0.82 -1.31 118.68 121.14 3kg7 s LEU 1112Ca -0.12 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3kg7 s LEU 1112Cb -0.07 0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 3kg7 s LEU 1112CO -0.02 -0.12 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.97 3kg7 s LEU 1113N 0.97 2.56 -0.27 -0.68 1.43 0.05 -0.45 118.68 122.29 3kg7 s LEU 1113Ca -0.08 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 3kg7 s LEU 1113Cb -0.11 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3kg7 s LEU 1113CO -0.04 0.18 0.47 -0.70 0.23 0.00 0.00 176.35 176.49 3kg7 s GLU 1114N 0.26 4.01 -0.07 1.70 2.12 0.79 -0.74 118.70 126.77 3kg7 s GLU 1114Ca -0.11 0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.46 3kg7 s GLU 1114Cb -0.16 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 3kg7 s GLU 1114CO 0.06 -0.35 -0.24 0.42 -0.54 0.00 0.00 175.26 174.61 3kg7 s ILE 1115N 2.24 2.11 0.20 -3.70 1.01 0.68 -0.41 121.20 123.34 3kg7 s ILE 1115Ca 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3kg7 s ILE 1115Cb -0.16 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3kg7 s ILE 1115CO 0.10 0.57 0.05 -1.83 0.00 0.00 0.00 174.94 173.82 3kg7 s GLU 1116N 0.00 1.22 -0.24 2.79 -1.05 -0.28 -1.37 118.70 119.76 3kg7 s GLU 1116Ca -0.08 -1.62 -0.29 0.00 -0.15 0.00 0.00 54.97 52.83 3kg7 s GLU 1116Cb -0.15 -0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.32 3kg7 s GLU 1116CO 0.05 -0.21 1.42 0.08 0.95 0.00 0.00 175.26 177.55 3kg7 s VAL 1117N -3.75 3.98 0.27 1.83 1.01 -1.22 -4.53 120.40 117.99 3kg7 s VAL 1117Ca 0.30 1.12 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 3kg7 s VAL 1117Cb 0.07 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 3kg7 s VAL 1117CO 0.08 -0.34 1.53 -2.65 0.00 0.00 0.00 175.10 173.71 3kg7 n PRO 1118N 7.32 2.43 -0.34 2.72 -0.02 -1.26 -4.81 135.00 141.05 3kg7 n PRO 1118Ca 0.16 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.63 3kg7 n PRO 1118Cb 0.46 -2.60 0.33 0.00 -0.02 0.00 0.00 33.50 31.66 3kg7 n PRO 1118CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kg7 h LYS 1119N 4.66 0.76 0.00 -0.52 3.64 -1.88 0.15 116.57 123.38 3kg7 h LYS 1119Ca -0.46 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.83 3kg7 h LYS 1119Cb 1.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3kg7 h LYS 1119CO 0.79 0.50 -0.23 0.00 -2.27 0.00 0.00 179.45 178.24 3kg7 h ALA 1120N 1.61 1.23 0.00 5.00 0.00 -1.89 -3.19 119.26 122.02 3kg7 h ALA 1120Ca 0.53 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 3kg7 h ALA 1120Cb 0.80 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3kg7 h ALA 1120CO -0.31 0.28 -1.61 1.25 0.00 0.00 0.00 179.25 178.86 3kg7 h LEU 1121N 0.00 0.00 -0.74 0.00 5.85 -1.03 -3.41 115.31 115.97 3kg7 h LEU 1121Ca -0.00 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 3kg7 h LEU 1121Cb 0.55 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 3kg7 h LEU 1121CO 0.03 0.96 0.14 0.00 -0.34 0.00 0.00 178.44 179.23 3kg7 n ALA 1122N -2.52 0.50 0.25 1.25 0.00 -0.65 -0.35 120.51 118.99 3kg7 n ALA 1122Ca -0.15 0.79 0.10 0.00 0.00 0.00 0.00 53.44 54.18 3kg7 n ALA 1122Cb 1.02 -0.64 0.63 0.00 0.00 0.00 0.00 19.45 20.46 3kg7 n ALA 1122CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kg7 h PHE 1123N 0.00 0.00 0.00 0.00 3.57 -1.82 -3.07 116.94 115.62 3kg7 h PHE 1123Ca 0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.01 3kg7 h PHE 1123Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3kg7 h PHE 1123CO -0.26 0.17 -0.27 1.04 -2.23 0.00 0.00 178.31 176.76 3kg7 n GLN 1124N -3.73 0.16 -2.39 1.11 6.02 0.53 -4.88 117.38 114.21 3kg7 n GLN 1124Ca -0.02 0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 3kg7 n GLN 1124Cb 0.28 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.82 4.23 -0.26 1.08 1.43 -1.16 -4.92 118.68 115.26 3kg7 s LEU 1125Ca 0.10 2.25 0.22 0.00 -1.03 0.00 0.00 54.13 55.68 3kg7 s LEU 1125Cb 0.15 -4.01 0.50 0.00 0.03 0.00 0.00 46.19 42.87 3kg7 s LEU 1125CO 0.63 -0.55 1.14 0.00 0.23 0.00 0.00 176.35 177.81 3kg7 n ALA 1126N 0.20 2.60 -0.95 4.21 0.00 -1.26 -4.98 120.51 120.33 3kg7 n ALA 1126Ca 0.04 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.85 3kg7 n ALA 1126Cb 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.66 0.48 3.77 0.00 0.00 -1.26 -4.96 105.19 102.55 3kg7 n GLY 1127Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 3.73 0.24 1.61 1.03 -1.26 -4.94 118.70 118.62 3kg7 s GLU 1128Ca 0.00 1.96 -0.05 0.00 0.03 0.00 0.00 54.97 56.92 3kg7 s GLU 1128Cb 0.00 -2.50 0.41 0.00 -0.80 0.00 0.00 34.13 31.24 3kg7 s GLU 1128CO 0.00 -0.63 1.77 -1.35 -1.33 0.00 0.00 175.26 173.72 3kg7 h PRO 1129N 2.17 0.58 -2.60 -4.83 0.11 -1.90 -3.41 132.00 122.12 3kg7 h PRO 1129Ca -0.50 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3kg7 h PRO 1129Cb 1.26 -0.13 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 3kg7 h PRO 1129CO 0.60 0.39 -0.37 -1.50 -0.21 0.00 0.00 178.00 176.91 3kg7 s ILE 1130N -6.03 -0.44 0.37 4.15 2.07 -1.26 -1.69 121.20 118.36 3kg7 s ILE 1130Ca -0.12 0.16 -0.26 0.00 -1.41 0.00 0.00 60.65 59.02 3kg7 s ILE 1130Cb 0.19 -0.62 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 3kg7 s ILE 1130CO 0.77 0.07 1.12 -2.28 -1.91 0.00 0.00 174.94 172.71 3kg7 s HIS 1131N 2.24 3.24 0.23 3.50 5.65 -1.26 -4.69 115.29 124.19 3kg7 s HIS 1131Ca -0.04 1.61 -0.09 0.00 0.25 0.00 0.00 55.06 56.80 3kg7 s HIS 1131Cb -0.11 -3.29 0.35 0.00 -1.18 0.00 0.00 32.58 28.35 3kg7 s HIS 1131CO -0.12 -0.95 1.34 -2.30 -0.65 0.00 0.00 174.74 172.06 3kg7 n PRO 1132N 0.29 -0.11 -0.10 2.88 -0.02 -1.26 -0.99 135.00 135.69 3kg7 n PRO 1132Ca 0.03 1.34 -0.06 0.00 -2.02 0.00 0.00 63.50 62.79 3kg7 n PRO 1132Cb 0.47 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.90 -0.73 -1.45 2.07 -1.97 0.11 116.25 115.19 3kg7 h VAL 1133Ca 0.39 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3kg7 h VAL 1133Cb 0.60 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kg7 h VAL 1133CO -0.88 0.05 0.34 -0.07 0.02 0.00 0.00 177.57 177.03 3kg7 h LEU 1134N 0.27 0.97 -0.75 2.57 3.38 -1.44 0.99 115.31 121.30 3kg7 h LEU 1134Ca 0.16 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kg7 h LEU 1134Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kg7 h LEU 1134CO -0.16 0.84 -0.57 -0.29 0.09 0.00 0.00 178.44 178.35 3kg7 h ILE 1135N 1.03 1.39 -0.66 1.22 2.10 -1.07 -3.00 117.51 118.51 3kg7 h ILE 1135Ca 0.25 -1.92 -0.08 0.00 1.08 0.00 0.00 64.86 64.19 3kg7 h ILE 1135Cb 0.14 1.98 -0.03 0.00 -1.09 0.00 0.00 36.82 37.83 3kg7 h ILE 1135CO -0.03 0.56 0.10 -0.78 -1.08 0.00 0.00 178.15 176.92 3kg7 h ASP 1136N 0.13 1.06 -0.43 2.19 3.58 -0.02 -2.76 116.42 120.16 3kg7 h ASP 1136Ca -0.00 -0.27 0.09 0.00 0.42 0.00 0.00 57.03 57.27 3kg7 h ASP 1136Cb 1.04 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 3kg7 h ASP 1136CO 0.08 1.06 0.30 0.00 -2.88 0.00 0.00 179.24 177.80 3kg7 h ALA 1137N 1.04 2.16 0.00 -0.78 0.00 -0.69 -1.64 119.26 119.36 3kg7 h ALA 1137Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kg7 h ALA 1137Cb 0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kg7 h ALA 1137CO 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 178.99 3kg7 n THR 1139N -3.19 0.33 1.32 0.00 -2.24 -0.62 -4.51 114.28 105.37 3kg7 n THR 1139Ca -0.02 -0.66 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 3kg7 n THR 1139Cb 0.13 1.16 0.63 0.00 -2.10 0.00 0.00 70.33 70.15 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 1.39 0.43 -3.82 -0.78 1.74 -1.07 -4.86 116.66 109.69 3kg7 n ARG 1140Ca 0.17 -0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 3kg7 n ARG 1140Cb 0.59 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.63 1.36 0.02 0.55 2.96 -1.26 -5.09 118.68 114.58 3kg7 s LEU 1141Ca 0.25 0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3kg7 s LEU 1141Cb 0.20 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.50 3kg7 s LEU 1141CO 0.50 -0.12 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.50 3kg7 s THR 1142N -0.18 0.09 0.55 3.68 2.01 -1.26 -4.86 115.64 115.67 3kg7 s THR 1142Ca -0.03 -0.74 0.48 0.00 0.31 0.00 0.00 61.69 61.72 3kg7 s THR 1142Cb -0.02 -0.23 0.72 0.00 0.01 0.00 0.00 72.50 72.97 3kg7 s THR 1142CO 0.01 -0.41 1.59 -0.65 -0.69 0.00 0.00 174.62 174.47 3kg7 h PRO 1143N 4.89 0.00 -1.38 4.92 0.11 -1.86 -2.14 132.00 136.54 3kg7 h PRO 1143Ca -0.31 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 3kg7 h PRO 1143Cb 1.21 -0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.90 3kg7 h PRO 1143CO 0.43 0.00 -0.76 -0.40 -0.21 0.00 0.00 178.00 177.06 3kg7 n ASP 1144N -4.00 4.62 0.24 -2.05 5.75 -1.26 -4.82 116.55 115.03 3kg7 n ASP 1144Ca 0.43 -3.68 0.14 0.00 -0.01 0.00 0.00 54.79 51.66 3kg7 n ASP 1144Cb 1.93 -0.44 0.38 0.00 -1.03 0.00 0.00 41.12 41.96 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 2.53 0.00 0.00 -2.12 5.85 -1.80 -2.71 115.31 117.06 3kg7 h LEU 1145Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3kg7 h LEU 1145Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3kg7 h LEU 1145CO 0.82 0.02 0.00 0.49 -0.34 0.00 0.00 178.44 179.43 3kg7 n PHE 1146N -3.11 0.00 -0.08 1.25 3.01 -1.26 -3.61 117.46 113.66 3kg7 n PHE 1146Ca 0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.35 3kg7 n PHE 1146Cb 0.44 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.77 3kg7 n PHE 1146CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kg7 n ASP 1147N -0.99 0.92 -4.53 4.37 -0.08 -1.02 -4.83 116.55 110.39 3kg7 n ASP 1147Ca 0.21 0.07 -0.17 0.00 -1.51 0.00 0.00 54.79 53.39 3kg7 n ASP 1147Cb 0.10 0.22 -0.14 0.00 2.34 0.00 0.00 41.12 43.64 3kg7 n ASP 1147CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kg7 n PHE 1148N -3.02 0.67 -1.27 -0.67 0.99 -1.24 -4.72 117.46 108.19 3kg7 n PHE 1148Ca -0.33 -0.01 -0.54 0.00 -0.00 0.00 0.00 57.45 56.56 3kg7 n PHE 1148Cb 1.08 -1.72 -0.09 0.00 -1.00 0.00 0.00 39.48 37.75 3kg7 n PHE 1148CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3kg7 n SER 1149N 13.11 0.83 -0.04 4.37 3.41 -1.26 -4.85 113.62 129.19 3kg7 n SER 1149Ca 0.56 0.79 -0.22 0.00 -0.26 0.00 0.00 58.87 59.75 3kg7 n SER 1149Cb 0.31 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.37 3kg7 n SER 1149CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kg7 h SER 1150N 5.98 0.23 0.00 4.04 4.64 -1.88 -3.41 113.55 123.16 3kg7 h SER 1150Ca -0.23 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 3kg7 h SER 1150Cb 1.19 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kg7 h SER 1150CO 0.88 1.65 0.00 0.47 -0.87 0.00 0.00 176.83 178.97 3kg7 n ASP 1151N -3.97 0.11 -0.07 4.97 9.92 -1.26 -2.47 116.55 123.77 3kg7 n ASP 1151Ca -0.30 -0.36 -0.08 0.00 -0.53 0.00 0.00 54.79 53.51 3kg7 n ASP 1151Cb 0.86 -0.06 -0.11 0.00 -0.64 0.00 0.00 41.12 41.17 3kg7 n ASP 1151CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kg7 n SER 1152N 0.07 1.52 0.00 -2.24 7.64 -1.26 -5.01 113.62 114.34 3kg7 n SER 1152Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3kg7 n SER 1152Cb 0.03 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 3kg7 n SER 1152CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kg7 n GLY 1153N 2.15 2.47 3.74 0.23 0.00 -1.03 -5.04 105.19 107.71 3kg7 n GLY 1153Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.26 3.08 0.37 1.61 1.01 -1.26 -3.48 120.40 119.47 3kg7 s VAL 1154Ca 0.00 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 3kg7 s VAL 1154Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 3kg7 s VAL 1154CO 0.00 0.13 0.94 0.12 0.00 0.00 0.00 175.10 176.29 3kg7 s PHE 1155N 0.13 3.50 -0.59 5.22 5.36 -1.24 -4.66 117.98 125.70 3kg7 s PHE 1155Ca 0.58 1.68 -0.17 0.00 -0.96 0.00 0.00 56.93 58.06 3kg7 s PHE 1155Cb -0.38 -2.88 0.13 0.00 -0.34 0.00 0.00 43.02 39.56 3kg7 s PHE 1155CO 0.39 0.06 0.61 -1.58 -1.46 0.00 0.00 175.22 173.23 3kg7 s TRP 1156N -1.89 3.22 -0.09 10.12 0.52 -1.26 -0.79 118.94 128.77 3kg7 s TRP 1156Ca 0.56 -1.26 -0.22 0.00 0.02 0.00 0.00 56.10 55.20 3kg7 s TRP 1156Cb -0.14 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 3kg7 s TRP 1156CO 0.18 -1.12 0.64 0.00 0.02 0.00 0.00 176.95 176.68 3kg7 s ALA 1157N 1.83 3.38 0.18 0.98 0.00 0.46 -4.72 121.76 123.86 3kg7 s ALA 1157Ca 0.08 0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 3kg7 s ALA 1157Cb -0.26 -2.89 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 3kg7 s ALA 1157CO 0.03 -0.11 1.31 -2.30 0.00 0.00 0.00 175.76 174.68 3kg7 n PRO 1158N 3.84 1.54 0.00 0.00 -0.02 -1.26 0.19 135.00 139.29 3kg7 n PRO 1158Ca -0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kg7 n PRO 1158Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.95 0.00 -3.47 6.00 -0.00 0.13 -4.76 117.44 117.29 3kg7 n TRP 1159Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.51 3kg7 n TRP 1159Cb 0.26 0.01 -0.04 0.00 -0.00 0.00 0.00 31.31 31.54 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 -1.92 1.18 -0.08 5.87 1.70 -1.19 -1.95 118.95 122.55 3kg7 s ARG 1160Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 3kg7 s ARG 1160Cb 0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 3kg7 s ARG 1160CO 0.00 -0.47 -0.06 0.08 -1.08 0.00 0.00 175.30 173.77 3kg7 s VAL 1161N -2.87 0.77 0.05 4.99 1.01 -0.35 -0.57 120.40 123.43 3kg7 s VAL 1161Ca -0.03 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 3kg7 s VAL 1161Cb -0.01 -0.80 -0.18 0.00 0.00 0.00 0.00 36.38 35.39 3kg7 s VAL 1161CO -0.05 0.31 1.48 0.50 0.00 0.00 0.00 175.10 177.33 3kg7 h LYS 1162N 7.78 -0.87 0.00 2.72 1.63 -1.28 -1.16 116.57 125.39 3kg7 h LYS 1162Ca -0.29 0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3kg7 h LYS 1162Cb 1.14 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.97 3kg7 h LYS 1162CO 0.40 -0.56 -0.00 -1.91 -3.45 0.00 0.00 179.45 173.93 3kg7 n GLU 1163N -5.45 0.01 -3.63 1.90 2.13 -0.92 -1.28 120.64 113.40 3kg7 n GLU 1163Ca -0.13 -0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.62 3kg7 n GLU 1163Cb 0.38 0.02 -0.05 0.00 0.27 0.00 0.00 31.44 32.06 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 -2.34 0.00 -0.09 6.31 -4.23 -0.10 0.17 115.64 115.36 3kg7 s THR 1165Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3kg7 s THR 1165Cb -0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 3kg7 s THR 1165CO 0.00 0.00 0.20 -0.22 -0.54 0.00 0.00 174.62 174.06 3kg7 s LEU 1166N -0.78 0.30 -0.03 4.79 2.96 -0.82 -1.11 118.68 123.99 3kg7 s LEU 1166Ca 0.06 0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 3kg7 s LEU 1166Cb -0.02 0.51 -0.28 0.00 0.50 0.00 0.00 46.19 46.90 3kg7 s LEU 1166CO -0.07 -0.19 0.71 0.28 -1.32 0.00 0.00 176.35 175.76 3kg7 h SER 1167N 7.64 0.41 -5.20 3.68 0.02 -0.76 -2.20 113.55 117.12 3kg7 h SER 1167Ca -0.31 -0.64 -0.05 0.00 -0.84 0.00 0.00 61.79 59.94 3kg7 h SER 1167Cb 1.14 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 3kg7 h SER 1167CO 0.30 1.55 -0.03 -1.38 -1.14 0.00 0.00 176.83 176.13 3kg7 s HIS 1168N -2.60 0.30 0.62 3.45 0.00 -1.26 -3.12 115.29 112.69 3kg7 s HIS 1168Ca -0.12 -0.69 -0.19 0.00 -3.00 0.00 0.00 55.06 51.05 3kg7 s HIS 1168Cb 0.07 0.31 -0.02 0.00 -4.00 0.00 0.00 32.58 28.93 3kg7 s HIS 1168CO 0.84 -1.09 1.29 -2.30 -1.00 0.00 0.00 174.74 172.47 3kg7 n PRO 1169N -0.42 1.23 -1.99 -0.38 -0.02 -1.26 -4.93 135.00 127.23 3kg7 n PRO 1169Ca -0.02 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 3kg7 n PRO 1169Cb 0.61 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.37 2.51 1.00 3.45 -4.23 -0.68 -5.03 115.64 111.29 3kg7 s THR 1170Ca 0.80 0.47 -0.14 0.00 -1.18 0.00 0.00 61.69 61.64 3kg7 s THR 1170Cb -0.39 -3.30 0.19 0.00 1.34 0.00 0.00 72.50 70.34 3kg7 s THR 1170CO 0.43 0.10 1.14 -2.84 -0.54 0.00 0.00 174.62 172.90 3kg7 s PRO 1171N -1.28 0.38 0.54 3.99 0.02 -1.26 -4.93 135.00 132.46 3kg7 s PRO 1171Ca 0.54 0.21 0.24 0.00 0.02 0.00 0.00 61.00 62.01 3kg7 s PRO 1171Cb -0.42 -1.76 1.52 0.00 0.02 0.00 0.00 34.50 33.86 3kg7 s PRO 1171CO 0.51 -2.69 2.17 0.66 -0.33 0.00 0.00 177.00 177.32 3kg7 h SER 1172N -1.86 0.00 -3.53 2.53 4.64 -1.95 -3.40 113.55 109.98 3kg7 h SER 1172Ca -0.50 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.53 3kg7 h SER 1172Cb 1.32 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.07 3kg7 h SER 1172CO 0.53 0.04 -0.71 -0.60 -0.87 0.00 0.00 176.83 175.22 3kg7 s ARG 1173N -4.67 -0.02 0.32 4.77 3.52 -1.26 -3.41 118.95 118.19 3kg7 s ARG 1173Ca -0.05 0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.69 3kg7 s ARG 1173Cb 0.15 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 3kg7 s ARG 1173CO 0.60 -0.15 0.52 1.97 -0.81 0.00 0.00 175.30 177.43 3kg7 n PHE 1174N 4.09 -1.64 -4.27 5.12 1.16 -0.47 -3.99 117.46 117.46 3kg7 n PHE 1174Ca -0.26 -1.91 -0.22 0.00 -1.87 0.00 0.00 57.45 53.19 3kg7 n PHE 1174Cb 0.51 0.60 -0.12 0.00 -1.61 0.00 0.00 39.48 38.86 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 -3.15 1.68 -0.17 2.97 2.02 0.12 -0.23 117.35 120.58 3kg7 s TYR 1175Ca 0.21 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3kg7 s TYR 1175Cb -0.02 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3kg7 s TYR 1175CO 0.15 0.20 -0.15 0.00 -1.57 0.00 0.00 175.55 174.18 3kg7 s ALA 1176N -1.37 2.48 -0.15 3.71 0.00 0.08 -1.12 121.76 125.39 3kg7 s ALA 1176Ca 0.07 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3kg7 s ALA 1176Cb -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3kg7 s ALA 1176CO 0.04 -0.19 -0.19 -0.47 0.00 0.00 0.00 175.76 174.95 3kg7 s TYR 1177N 1.07 2.53 -0.20 0.00 5.04 0.37 -0.77 117.35 125.39 3kg7 s TYR 1177Ca -0.00 -1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 53.20 3kg7 s TYR 1177Cb -0.14 -1.77 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 3kg7 s TYR 1177CO -0.05 -0.69 -0.06 0.08 -1.34 0.00 0.00 175.55 173.49 3kg7 s VAL 1178N 1.17 3.32 -0.10 3.14 1.01 -0.43 -0.34 120.40 128.18 3kg7 s VAL 1178Ca 0.01 -0.52 0.16 0.00 0.00 0.00 0.00 61.98 61.62 3kg7 s VAL 1178Cb -0.14 -2.48 -0.19 0.00 0.00 0.00 0.00 36.38 33.57 3kg7 s VAL 1178CO -0.08 0.45 0.69 -0.62 0.00 0.00 0.00 175.10 175.54 3kg7 n GLU 1179N 4.45 0.63 -4.07 2.72 1.02 -1.26 -1.46 120.64 122.67 3kg7 n GLU 1179Ca -0.18 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3kg7 n GLU 1179Cb 0.51 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 3kg7 n GLU 1179CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kg7 s GLU 1180N -2.78 0.56 0.77 3.49 -1.05 -1.24 -4.40 118.70 114.04 3kg7 s GLU 1180Ca -0.04 -0.78 -0.15 0.00 -0.15 0.00 0.00 54.97 53.85 3kg7 s GLU 1180Cb 0.08 -0.34 0.04 0.00 -0.44 0.00 0.00 34.13 33.47 3kg7 s GLU 1180CO 0.82 0.06 1.06 -2.30 0.95 0.00 0.00 175.26 175.85 3kg7 n PRO 1181N 1.44 0.36 -1.85 -4.83 -0.02 -1.25 -4.79 135.00 124.07 3kg7 n PRO 1181Ca -0.23 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 3kg7 n PRO 1181Cb 0.55 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3kg7 n PRO 1181CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kg7 s SER 1182N -1.85 6.45 -0.03 2.55 1.04 -1.26 -4.97 113.70 115.63 3kg7 s SER 1182Ca 0.73 2.86 -0.29 0.00 0.48 0.00 0.00 55.95 59.74 3kg7 s SER 1182Cb -0.32 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.14 3kg7 s SER 1182CO 0.51 -0.85 0.92 -0.13 0.98 0.00 0.00 173.24 174.67 3kg7 s ARG 1183N -0.44 4.51 -0.39 4.02 0.52 0.37 -4.86 118.95 122.69 3kg7 s ARG 1183Ca 0.62 1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 57.06 3kg7 s ARG 1183Cb -0.46 -3.47 0.07 0.00 0.52 0.00 0.00 34.95 31.60 3kg7 s ARG 1183CO 0.46 -0.07 0.20 0.08 0.02 0.00 0.00 175.30 175.98 3kg7 s VAL 1184N 1.15 3.96 0.10 3.52 1.01 -1.26 -0.68 120.40 128.19 3kg7 s VAL 1184Ca 0.48 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3kg7 s VAL 1184Cb -0.20 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 3kg7 s VAL 1184CO 0.24 -0.41 1.06 0.21 0.00 0.00 0.00 175.10 176.20 3kg7 s ASN 1185N 1.83 7.31 -0.17 3.32 3.84 0.14 -4.97 114.94 126.24 3kg7 s ASN 1185Ca 0.02 1.90 -0.14 0.00 0.21 0.00 0.00 52.86 54.85 3kg7 s ASN 1185Cb -0.22 -2.59 -0.05 0.00 -0.55 0.00 0.00 41.25 37.84 3kg7 s ASN 1185CO 0.02 -0.24 -0.27 -0.62 -2.79 0.00 0.00 177.10 173.19 3kg7 n GLU 1186N 3.15 0.50 -0.01 0.43 -0.58 -1.26 -2.16 120.64 120.72 3kg7 n GLU 1186Ca 0.05 0.35 0.02 0.00 -0.42 0.00 0.00 57.16 57.16 3kg7 n GLU 1186Cb 0.48 -1.55 0.37 0.00 -0.57 0.00 0.00 31.44 30.18 3kg7 n GLU 1186CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3kg7 h GLN 1187N -1.00 0.55 -0.25 3.49 1.08 -1.99 -1.62 115.11 115.37 3kg7 h GLN 1187Ca -0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3kg7 h GLN 1187Cb 0.83 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3kg7 h GLN 1187CO -0.02 0.44 0.00 1.28 -0.95 0.00 0.00 178.83 179.58 3kg7 n LEU 1188N -4.40 2.87 -3.43 1.46 4.77 -1.26 -5.05 117.00 111.96 3kg7 n LEU 1188Ca 0.03 -1.44 -0.17 0.00 -0.03 0.00 0.00 56.01 54.40 3kg7 n LEU 1188Cb 0.12 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3kg7 n LEU 1188CO 0.37 0.62 -0.03 1.67 -1.33 0.00 0.00 177.39 178.68 3kg7 n GLN 1189N 1.01 -1.62 -3.78 3.23 -0.06 -0.61 -5.03 117.38 110.53 3kg7 n GLN 1189Ca 0.13 1.23 -0.13 0.00 -2.00 0.00 0.00 57.00 56.23 3kg7 n GLN 1189Cb 0.47 -3.69 -0.10 0.00 -4.06 0.00 0.00 30.24 22.86 3kg7 n GLN 1189CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 3kg7 s THR 1190N -2.73 0.03 -0.17 1.69 -4.23 -0.92 -4.58 115.64 104.73 3kg7 s THR 1190Ca 0.08 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 3kg7 s THR 1190Cb -0.01 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 3kg7 s THR 1190CO 0.84 -0.13 0.01 -0.13 -0.54 0.00 0.00 174.62 174.66 3kg7 s ARG 1191N -0.54 3.81 0.05 3.99 0.52 -0.82 -0.68 118.95 125.29 3kg7 s ARG 1191Ca -0.06 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 3kg7 s ARG 1191Cb -0.04 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 3kg7 s ARG 1191CO 0.02 0.27 -0.16 -1.12 0.02 0.00 0.00 175.30 174.33 3kg7 s SER 1192N 0.33 1.86 0.34 0.23 0.01 0.15 -0.69 113.70 115.92 3kg7 s SER 1192Ca -0.00 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 3kg7 s SER 1192Cb -0.13 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.01 3kg7 s SER 1192CO 0.02 0.03 0.64 -0.72 0.41 0.00 0.00 173.24 173.61 3kg7 s TYR 1193N -0.96 0.39 0.04 2.43 1.13 -0.60 -0.48 117.35 119.31 3kg7 s TYR 1193Ca 0.02 -0.86 0.08 0.00 -1.41 0.00 0.00 57.07 54.90 3kg7 s TYR 1193Cb -0.09 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3kg7 s TYR 1193CO 0.02 -1.30 -0.23 -0.51 -2.51 0.00 0.00 175.55 171.01 3kg7 s ASP 1194N -3.09 2.81 -0.05 -0.18 1.01 -1.26 -0.80 116.67 115.11 3kg7 s ASP 1194Ca 0.20 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.92 3kg7 s ASP 1194Cb -0.03 -0.25 0.02 0.00 1.01 0.00 0.00 42.92 43.67 3kg7 s ASP 1194CO 0.13 0.21 -0.07 -0.63 0.21 0.00 0.00 175.17 175.02 3kg7 s ILE 1195N -0.80 0.72 -0.21 0.77 1.01 -0.08 -4.50 121.20 118.12 3kg7 s ILE 1195Ca 0.10 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 3kg7 s ILE 1195Cb -0.09 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 3kg7 s ILE 1195CO 0.02 0.27 0.14 -1.10 0.00 0.00 0.00 174.94 174.26 3kg7 s GLN 1196N 0.87 4.16 -0.25 2.79 -1.52 0.54 -0.63 119.66 125.62 3kg7 s GLN 1196Ca -0.12 -0.23 -0.18 0.00 -1.95 0.00 0.00 55.36 52.88 3kg7 s GLN 1196Cb -0.15 -3.45 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 3kg7 s GLN 1196CO 0.01 0.24 0.53 -0.51 -0.25 0.00 0.00 175.29 175.31 3kg7 s LEU 1197N 0.53 4.07 -0.06 2.90 1.02 0.11 -0.48 118.68 126.77 3kg7 s LEU 1197Ca 0.08 0.57 0.05 0.00 0.02 0.00 0.00 54.13 54.85 3kg7 s LEU 1197Cb -0.12 -2.69 -0.01 0.00 0.02 0.00 0.00 46.19 43.39 3kg7 s LEU 1197CO -0.00 -0.27 -0.23 -0.76 0.02 0.00 0.00 176.35 175.11 3kg7 s LEU 1198N 2.18 2.22 0.00 1.79 1.43 -0.27 -1.10 118.68 124.93 3kg7 s LEU 1198Ca 0.22 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3kg7 s LEU 1198Cb -0.16 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3kg7 s LEU 1198CO 0.09 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.03 3kg7 n ASP 1199N 2.89 -0.38 -0.28 2.29 3.85 0.72 0.13 116.55 125.78 3kg7 n ASP 1199Ca -0.17 -0.78 0.07 0.00 -0.71 0.00 0.00 54.79 53.20 3kg7 n ASP 1199Cb 0.52 0.00 0.31 0.00 -1.35 0.00 0.00 41.12 40.60 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 0.84 0.00 0.11 4.57 -1.89 -1.91 114.58 116.30 3kg7 h GLU 1200Ca 0.00 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3kg7 h GLU 1200Cb 0.00 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3kg7 h GLU 1200CO 0.00 0.56 -0.41 1.15 -1.18 0.00 0.00 179.01 179.12 3kg7 h THR 1201N 0.87 0.71 0.00 0.32 2.02 -1.94 -3.48 112.91 111.41 3kg7 h THR 1201Ca 0.41 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.58 3kg7 h THR 1201Cb 0.41 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3kg7 h THR 1201CO -0.17 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.73 3kg7 n GLY 1202N 1.20 1.18 3.73 2.16 0.00 -0.72 -4.32 105.19 108.43 3kg7 n GLY 1202Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kg7 n GLY 1202CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg7 s GLN 1203N -0.61 4.60 0.33 1.61 -0.21 -1.26 -1.73 119.66 122.38 3kg7 s GLN 1203Ca 0.00 1.29 -0.28 0.00 0.02 0.00 0.00 55.36 56.39 3kg7 s GLN 1203Cb 0.00 -3.39 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 3kg7 s GLN 1203CO 0.00 0.19 1.21 0.00 -2.12 0.00 0.00 175.29 174.57 3kg7 s ALA 1204N 0.16 3.40 0.00 6.09 0.00 -0.78 -0.20 121.76 130.44 3kg7 s ALA 1204Ca 0.44 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3kg7 s ALA 1204Cb -0.22 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3kg7 s ALA 1204CO 0.27 -0.45 0.00 1.97 0.00 0.00 0.00 175.76 177.55 3kg7 n PHE 1205N 0.79 0.00 -3.55 0.00 -1.74 -0.25 -4.69 117.46 108.02 3kg7 n PHE 1205Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 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 -0.42 0.05 4.97 0.00 -1.20 -0.07 107.32 110.65 3kg7 s GLY 1206Ca 0.00 0.99 -0.17 0.00 0.00 0.00 0.00 44.72 45.53 3kg7 s GLY 1206CO 0.00 0.32 0.40 1.09 0.00 0.00 0.00 173.10 174.91 3kg7 s ARG 1207N -3.03 0.91 -0.20 2.90 1.70 -0.27 0.09 118.95 121.05 3kg7 s ARG 1207Ca 0.07 -0.39 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 3kg7 s ARG 1207Cb -0.01 0.40 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3kg7 s ARG 1207CO -0.07 -0.31 -0.13 0.42 -1.08 0.00 0.00 175.30 174.12 3kg7 s ILE 1208N -2.52 1.83 -0.11 4.99 1.01 0.20 -0.92 121.20 125.69 3kg7 s ILE 1208Ca -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 3kg7 s ILE 1208Cb -0.01 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3kg7 s ILE 1208CO -0.03 0.27 -0.01 0.20 0.00 0.00 0.00 174.94 175.37 3kg7 s ASN 1209N 1.33 5.10 -1.07 3.58 0.01 0.13 -0.90 114.94 123.12 3kg7 s ASN 1209Ca -0.00 0.05 -0.03 0.00 -0.71 0.00 0.00 52.86 52.17 3kg7 s ASN 1209Cb -0.16 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 39.93 3kg7 s ASN 1209CO -0.09 0.30 0.33 0.61 -1.51 0.00 0.00 177.10 176.74 3kg7 n GLY 1210N 2.66 -0.14 3.58 0.66 0.00 -1.13 -1.43 105.19 109.40 3kg7 n GLY 1210Ca -0.18 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.91 1.36 -0.17 1.61 2.19 0.02 -3.51 117.98 116.57 3kg7 s PHE 1211Ca 0.16 0.86 -0.04 0.00 0.33 0.00 0.00 56.93 58.25 3kg7 s PHE 1211Cb -0.07 -3.91 -0.02 0.00 -1.31 0.00 0.00 43.02 37.71 3kg7 s PHE 1211CO 0.20 -3.17 -0.03 0.99 1.83 0.00 0.00 175.22 175.04 3kg7 s THR 1212N 9.08 3.81 0.10 0.12 2.01 0.27 -1.56 115.64 129.46 3kg7 s THR 1212Ca 0.90 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.57 3kg7 s THR 1212Cb -0.24 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3kg7 s THR 1212CO 0.31 0.47 0.00 0.68 -0.69 0.00 0.00 174.62 175.39 3kg7 s VAL 1213N 0.63 4.03 0.02 3.82 -7.23 0.13 0.20 120.40 122.01 3kg7 s VAL 1213Ca -0.02 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 3kg7 s VAL 1213Cb -0.14 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 3kg7 s VAL 1213CO 0.02 0.11 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.11 3kg7 s LYS 1214N -2.36 0.43 0.19 4.82 2.20 0.13 -1.94 119.74 123.22 3kg7 s LYS 1214Ca 0.26 -0.51 -0.33 0.00 -0.36 0.00 0.00 55.97 55.04 3kg7 s LYS 1214Cb -0.12 -0.26 -0.13 0.00 -1.51 0.00 0.00 37.83 35.81 3kg7 s LYS 1214CO 0.19 0.06 1.67 0.54 -0.36 0.00 0.00 175.35 177.44 3kg7 n ARG 1215N 2.06 2.54 -3.51 4.03 5.12 -1.26 -0.41 116.66 125.24 3kg7 n ARG 1215Ca -0.19 0.92 -0.29 0.00 -1.93 0.00 0.00 57.85 56.36 3kg7 n ARG 1215Cb 0.56 -2.74 -0.14 0.00 -1.16 0.00 0.00 32.46 28.98 3kg7 n ARG 1215CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kg7 s ALA 1216N 1.12 0.71 0.62 7.54 0.00 0.03 -4.86 121.76 126.92 3kg7 s ALA 1216Ca 0.77 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 3kg7 s ALA 1216Cb -0.57 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3kg7 s ALA 1216CO 0.34 -1.80 1.18 -1.25 0.00 0.00 0.00 175.76 174.24 3kg7 s PRO 1217N 1.77 2.84 0.41 0.00 0.04 -1.26 -3.73 135.00 135.08 3kg7 s PRO 1217Ca 0.12 1.73 0.10 0.00 0.04 0.00 0.00 61.00 62.98 3kg7 s PRO 1217Cb -0.18 -1.92 0.91 0.00 0.04 0.00 0.00 34.50 33.35 3kg7 s PRO 1217CO -0.25 -1.28 2.00 1.03 0.04 0.00 0.00 177.00 178.54 3kg7 h SER 1218N 0.59 0.46 -0.80 6.66 0.87 -1.97 0.76 113.55 120.12 3kg7 h SER 1218Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3kg7 h SER 1218Cb 1.29 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 3kg7 h SER 1218CO 0.54 0.30 0.51 1.56 -0.53 0.00 0.00 176.83 179.22 3kg7 h GLN 1219N 0.53 1.07 0.17 2.24 7.50 -1.96 -0.38 115.11 124.27 3kg7 h GLN 1219Ca 0.24 -0.08 -0.23 0.00 0.50 0.00 0.00 58.65 59.08 3kg7 h GLN 1219Cb 0.28 -0.23 0.02 0.00 0.05 0.00 0.00 27.48 27.60 3kg7 h GLN 1219CO -0.07 0.72 -1.02 -0.07 -1.50 0.00 0.00 178.83 176.89 3kg7 h LEU 1220N 1.09 0.55 -0.19 1.46 3.38 -1.71 -3.33 115.31 116.56 3kg7 h LEU 1220Ca 0.29 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 3kg7 h LEU 1220Cb -0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3kg7 h LEU 1220CO -0.06 1.49 -0.06 0.15 0.09 0.00 0.00 178.44 180.05 3kg7 h PHE 1221N -0.24 0.43 -0.18 1.13 3.57 -0.84 -3.14 116.94 117.66 3kg7 h PHE 1221Ca -0.18 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3kg7 h PHE 1221Cb 1.78 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.42 3kg7 h PHE 1221CO 0.18 0.64 0.00 1.28 -2.23 0.00 0.00 178.31 178.18 3kg7 n LEU 1222N -4.62 1.18 0.00 0.59 4.77 -0.16 -4.61 117.00 114.15 3kg7 n LEU 1222Ca -0.05 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3kg7 n LEU 1222Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kg7 n LEU 1222CO 0.38 0.27 0.00 1.17 -1.33 0.00 0.00 177.39 177.89