#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr8 s THR 953 N 0.00 5.09 -0.04 2.61 2.01 -1.26 -4.49 115.64 119.57 3kr8 s THR 953 Ca 0.00 0.85 0.05 0.00 0.31 0.00 0.00 61.69 62.90 3kr8 s THR 953 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 3kr8 s THR 953 CO 0.00 0.49 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.61 3kr8 s ILE 954 N -0.48 1.50 -0.25 1.82 1.01 -0.02 -4.99 121.20 119.79 3kr8 s ILE 954 Ca 0.24 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3kr8 s ILE 954 Cb -0.16 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3kr8 s ILE 954 CO 0.12 0.43 0.06 -0.76 0.00 0.00 0.00 174.94 174.78 3kr8 s LEU 955 N -0.13 3.40 -0.26 2.97 1.43 -1.26 -0.74 118.68 124.10 3kr8 s LEU 955 Ca -0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3kr8 s LEU 955 Cb -0.10 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3kr8 s LEU 955 CO 0.01 -0.04 0.04 -0.63 0.23 0.00 0.00 176.35 175.96 3kr8 s ILE 956 N 1.59 3.94 0.39 -0.59 -1.09 -0.62 -4.92 121.20 119.91 3kr8 s ILE 956 Ca 0.06 -0.44 -0.27 0.00 -2.23 0.00 0.00 60.65 57.77 3kr8 s ILE 956 Cb -0.15 -2.90 -0.09 0.00 -1.58 0.00 0.00 42.46 37.74 3kr8 s ILE 956 CO 0.03 0.27 1.32 -1.81 -1.23 0.00 0.00 174.94 173.52 3kr8 s ASP 957 N 1.54 6.38 -0.12 3.58 -0.00 -1.26 -0.75 116.67 126.03 3kr8 s ASP 957 Ca 0.05 2.70 -0.04 0.00 -0.00 0.00 0.00 52.55 55.26 3kr8 s ASP 957 Cb -0.16 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.09 3kr8 s ASP 957 CO 0.01 -0.81 0.04 -0.76 -0.00 0.00 0.00 175.17 173.65 3kr8 s LEU 958 N -2.30 3.76 0.32 1.23 1.43 -0.60 -4.90 118.68 117.62 3kr8 s LEU 958 Ca 0.55 0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.54 3kr8 s LEU 958 Cb -0.39 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3kr8 s LEU 958 CO 0.51 0.32 1.19 -0.55 0.23 0.00 0.00 176.35 178.05 3kr8 s SER 959 N -0.54 6.94 0.61 2.29 0.15 -1.26 -4.66 113.70 117.23 3kr8 s SER 959 Ca 0.10 2.44 0.27 0.00 0.70 0.00 0.00 55.95 59.46 3kr8 s SER 959 Cb -0.12 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 62.94 3kr8 s SER 959 CO 0.02 -0.39 1.79 -0.65 1.20 0.00 0.00 173.24 175.21 3kr8 h PRO 960 N 3.41 0.00 0.00 5.44 0.11 -1.97 -0.25 132.00 138.74 3kr8 h PRO 960 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kr8 h PRO 960 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kr8 h PRO 960 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3kr8 n ASP 961 N -3.39 0.06 -4.72 -2.05 8.00 -1.26 -4.62 116.55 108.57 3kr8 n ASP 961 Ca 0.07 0.51 -0.40 0.00 0.71 0.00 0.00 54.79 55.68 3kr8 n ASP 961 Cb 0.71 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 3kr8 n ASP 961 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kr8 s ASP 962 N -3.11 7.03 0.51 -2.24 -1.08 -0.11 -4.95 116.67 112.73 3kr8 s ASP 962 Ca 0.14 1.24 0.20 0.00 -0.52 0.00 0.00 52.55 53.61 3kr8 s ASP 962 Cb 0.18 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.56 3kr8 s ASP 962 CO 0.53 -0.10 2.11 0.07 0.52 0.00 0.00 175.17 178.30 3kr8 h LYS 963 N 6.59 0.00 -0.20 4.34 2.10 -1.87 0.34 116.57 127.86 3kr8 h LYS 963 Ca -0.42 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.13 3kr8 h LYS 963 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3kr8 h LYS 963 CO 0.75 0.08 -0.32 1.49 -2.00 0.00 0.00 179.45 179.44 3kr8 h GLU 964 N 0.00 0.40 -0.43 0.07 4.81 -1.92 -1.75 114.58 115.76 3kr8 h GLU 964 Ca -0.00 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3kr8 h GLU 964 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3kr8 h GLU 964 CO 0.01 0.68 -0.01 0.35 -0.73 0.00 0.00 179.01 179.31 3kr8 h PHE 965 N 0.35 0.84 -0.32 0.92 3.04 -1.19 -2.93 116.94 117.64 3kr8 h PHE 965 Ca 0.04 -0.15 -0.06 0.00 3.98 0.00 0.00 57.97 61.78 3kr8 h PHE 965 Cb 0.74 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3kr8 h PHE 965 CO 0.02 0.83 -0.05 1.96 -2.02 0.00 0.00 178.31 179.05 3kr8 h GLN 966 N 0.60 0.60 -0.41 1.11 4.20 -1.08 0.34 115.11 120.47 3kr8 h GLN 966 Ca 0.12 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 3kr8 h GLN 966 Cb 0.51 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3kr8 h GLN 966 CO 0.02 0.77 -0.22 0.66 -0.67 0.00 0.00 178.83 179.40 3kr8 h SER 967 N 0.39 0.84 0.17 1.46 4.64 -1.40 0.46 113.55 120.11 3kr8 h SER 967 Ca 0.08 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3kr8 h SER 967 Cb 0.53 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3kr8 h SER 967 CO 0.03 1.03 -0.08 0.58 -0.87 0.00 0.00 176.83 177.51 3kr8 h VAL 968 N 0.72 0.85 -0.61 0.95 2.07 -1.38 -2.25 116.25 116.60 3kr8 h VAL 968 Ca 0.10 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3kr8 h VAL 968 Cb 0.74 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3kr8 h VAL 968 CO 0.06 0.01 0.29 -0.08 0.02 0.00 0.00 177.57 177.87 3kr8 h GLU 969 N -0.26 0.51 -0.84 1.57 4.81 -0.79 -1.01 114.58 118.57 3kr8 h GLU 969 Ca -0.02 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kr8 h GLU 969 Cb 0.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3kr8 h GLU 969 CO 0.04 0.34 0.56 1.49 -0.73 0.00 0.00 179.01 180.70 3kr8 h GLU 970 N 0.52 1.10 -0.20 1.92 4.57 -0.78 0.91 114.58 122.63 3kr8 h GLU 970 Ca 0.29 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.23 3kr8 h GLU 970 Cb 0.27 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3kr8 h GLU 970 CO -0.23 0.73 -0.58 1.49 -1.18 0.00 0.00 179.01 179.23 3kr8 h GLU 971 N 1.13 0.63 0.29 1.92 4.57 -0.95 0.15 114.58 122.32 3kr8 h GLU 971 Ca 0.31 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3kr8 h GLU 971 Cb -0.11 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3kr8 h GLU 971 CO -0.07 1.04 -0.17 1.98 -1.18 0.00 0.00 179.01 180.61 3kr8 h MET 972 N 0.48 -0.42 -0.35 1.92 4.05 -0.24 -3.01 114.93 117.36 3kr8 h MET 972 Ca 0.00 0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.32 3kr8 h MET 972 Cb 1.15 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 3kr8 h MET 972 CO 0.11 -0.28 -0.31 1.96 0.23 0.00 0.00 176.91 178.63 3kr8 h GLN 973 N -0.43 0.83 0.00 0.39 1.08 -0.67 -3.21 115.11 113.10 3kr8 h GLN 973 Ca -0.03 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3kr8 h GLN 973 Cb 0.35 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3kr8 h GLN 973 CO 0.04 1.06 0.00 -1.13 -0.95 0.00 0.00 178.83 177.85 3kr8 n SER 974 N -4.17 0.51 -1.50 1.46 3.41 0.50 -3.18 113.62 110.65 3kr8 n SER 974 Ca -0.03 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3kr8 n SER 974 Cb 0.49 -0.70 0.34 0.00 -0.26 0.00 0.00 64.21 64.09 3kr8 n SER 974 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kr8 n THR 975 N -2.00 2.25 -2.49 6.66 -2.24 -1.14 -4.93 114.28 110.39 3kr8 n THR 975 Ca 0.05 -1.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.00 3kr8 n THR 975 Cb 0.35 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 3kr8 n THR 975 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kr8 s VAL 976 N -2.36 3.82 0.32 2.28 1.01 -1.19 -2.82 120.40 121.46 3kr8 s VAL 976 Ca 0.49 1.57 0.04 0.00 0.00 0.00 0.00 61.98 64.08 3kr8 s VAL 976 Cb 0.35 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3kr8 s VAL 976 CO 0.17 0.27 0.18 0.00 0.00 0.00 0.00 175.10 175.72 3kr8 s ARG 977 N -0.37 1.68 0.32 2.72 1.70 -1.26 -5.00 118.95 118.74 3kr8 s ARG 977 Ca 0.50 -1.97 -0.16 0.00 -0.47 0.00 0.00 55.73 53.63 3kr8 s ARG 977 Cb -0.30 -0.09 -0.09 0.00 -0.57 0.00 0.00 34.95 33.90 3kr8 s ARG 977 CO 0.35 -0.50 0.75 -1.21 -1.08 0.00 0.00 175.30 173.62 3kr8 s GLU 978 N -3.73 4.03 0.18 3.89 2.02 -1.26 -4.95 118.70 118.88 3kr8 s GLU 978 Ca 0.35 0.71 0.08 0.00 0.02 0.00 0.00 54.97 56.13 3kr8 s GLU 978 Cb 0.04 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3kr8 s GLU 978 CO 0.19 0.16 -0.05 -1.01 0.02 0.00 0.00 175.26 174.56 3kr8 s HIS 979 N -1.97 2.72 -0.33 1.61 3.76 -1.26 -5.00 115.29 114.82 3kr8 s HIS 979 Ca 0.54 -0.19 0.27 0.00 -0.15 0.00 0.00 55.06 55.53 3kr8 s HIS 979 Cb -0.10 -1.32 1.06 0.00 1.11 0.00 0.00 32.58 33.32 3kr8 s HIS 979 CO 0.17 0.52 1.79 0.00 -0.85 0.00 0.00 174.74 176.37 3kr8 h ARG 980 N 2.81 0.00 -0.19 1.40 3.08 -2.04 -1.92 114.38 117.52 3kr8 h ARG 980 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3kr8 h ARG 980 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kr8 h ARG 980 CO 0.56 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.06 3kr8 n ASP 981 N -2.50 1.11 -0.48 7.04 5.75 -1.26 -4.90 116.55 121.30 3kr8 n ASP 981 Ca 0.02 -1.93 -0.06 0.00 -0.01 0.00 0.00 54.79 52.81 3kr8 n ASP 981 Cb 0.28 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3kr8 n ASP 981 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kr8 n GLY 982 N 0.86 0.64 0.00 6.12 0.00 -0.72 -2.00 105.19 110.09 3kr8 n GLY 982 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kr8 n GLY 982 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr8 n GLY 983 N 0.19 1.05 0.07 -0.02 0.00 -1.26 -4.80 105.19 100.42 3kr8 n GLY 983 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3kr8 n GLY 983 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kr8 h HIS 984 N 0.00 0.11 0.05 1.61 -0.00 -1.68 0.74 115.15 115.98 3kr8 h HIS 984 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.11 3kr8 h HIS 984 Cb 0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3kr8 h HIS 984 CO 0.00 0.08 -1.07 0.00 -0.00 0.00 0.00 177.93 176.94 3kr8 h ALA 985 N 1.02 0.06 -0.00 5.26 0.00 -1.85 -3.39 119.26 120.36 3kr8 h ALA 985 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kr8 h ALA 985 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kr8 h ALA 985 CO -0.01 0.64 -0.28 0.41 0.00 0.00 0.00 179.25 180.01 3kr8 n GLY 986 N 1.21 0.11 0.00 0.00 0.00 -1.22 -3.90 105.19 101.39 3kr8 n GLY 986 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3kr8 n GLY 986 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr8 n GLY 987 N 1.03 1.02 3.52 -0.02 0.00 0.25 -4.71 105.19 106.28 3kr8 n GLY 987 Ca 0.02 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 3kr8 n GLY 987 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr8 s ILE 988 N -2.44 4.80 -0.11 -0.61 1.01 -1.26 -4.48 121.20 118.11 3kr8 s ILE 988 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 60.65 60.33 3kr8 s ILE 988 Cb 0.00 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.33 3kr8 s ILE 988 CO 0.00 0.30 1.05 0.72 0.00 0.00 0.00 174.94 177.01 3kr8 s PHE 989 N 1.67 -0.24 -0.10 3.97 -0.12 -1.26 -4.55 117.98 117.34 3kr8 s PHE 989 Ca 0.07 0.19 0.06 0.00 -0.05 0.00 0.00 56.93 57.20 3kr8 s PHE 989 Cb -0.15 0.52 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 3kr8 s PHE 989 CO 0.07 -0.36 0.16 0.09 -0.05 0.00 0.00 175.22 175.13 3kr8 n ASN 990 N -0.05 2.49 -3.85 1.98 3.02 -1.26 -4.94 115.26 112.64 3kr8 n ASN 990 Ca -0.05 -0.22 -0.08 0.00 -0.03 0.00 0.00 54.58 54.20 3kr8 n ASN 990 Cb 0.60 1.17 -0.03 0.00 -0.61 0.00 0.00 39.78 40.90 3kr8 n ASN 990 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr8 s ARG 991 N -2.08 1.70 0.17 3.52 1.70 -1.26 -4.87 118.95 117.83 3kr8 s ARG 991 Ca -0.01 -1.16 0.08 0.00 -0.47 0.00 0.00 55.73 54.18 3kr8 s ARG 991 Cb 0.04 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3kr8 s ARG 991 CO 0.23 -0.75 -0.09 0.71 -1.08 0.00 0.00 175.30 174.32 3kr8 s TYR 992 N -3.85 2.67 -0.49 5.89 2.02 -1.26 -2.27 117.35 120.06 3kr8 s TYR 992 Ca 0.17 -0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 56.48 3kr8 s TYR 992 Cb -0.03 -1.32 0.05 0.00 -0.40 0.00 0.00 41.96 40.26 3kr8 s TYR 992 CO 0.09 0.50 0.58 1.21 -1.57 0.00 0.00 175.55 176.35 3kr8 s ASN 993 N -2.73 6.22 -0.16 2.29 2.47 -0.00 -4.90 114.94 118.12 3kr8 s ASN 993 Ca 0.24 -0.91 -0.28 0.00 0.42 0.00 0.00 52.86 52.34 3kr8 s ASN 993 Cb -0.09 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.43 3kr8 s ASN 993 CO 0.15 -0.82 0.94 -0.63 -3.72 0.00 0.00 177.10 173.02 3kr8 s ILE 994 N 2.46 4.80 -0.19 -5.21 -1.09 -1.26 -1.36 121.20 119.34 3kr8 s ILE 994 Ca 0.14 1.87 0.16 0.00 -2.23 0.00 0.00 60.65 60.58 3kr8 s ILE 994 Cb -0.19 -4.24 -0.23 0.00 -1.58 0.00 0.00 42.46 36.22 3kr8 s ILE 994 CO 0.12 -0.03 0.04 0.18 -1.23 0.00 0.00 174.94 174.02 3kr8 n LEU 995 N 5.41 0.23 -3.63 2.97 4.77 0.41 -4.99 117.00 122.17 3kr8 n LEU 995 Ca 0.08 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3kr8 n LEU 995 Cb 0.48 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.87 3kr8 n LEU 995 CO 0.50 0.50 0.72 -0.75 -1.33 0.00 0.00 177.39 177.04 3kr8 s LYS 996 N -2.46 0.53 -0.09 3.23 2.20 -0.96 -4.98 119.74 117.21 3kr8 s LYS 996 Ca -0.11 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 3kr8 s LYS 996 Cb 0.06 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 3kr8 s LYS 996 CO 0.76 -0.07 -0.09 0.42 -0.36 0.00 0.00 175.35 176.01 3kr8 s ILE 997 N 0.14 1.04 -0.01 5.43 1.01 -1.26 -0.39 121.20 127.17 3kr8 s ILE 997 Ca 0.03 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3kr8 s ILE 997 Cb -0.05 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3kr8 s ILE 997 CO -0.05 0.36 -0.16 -1.10 0.00 0.00 0.00 174.94 173.98 3kr8 s GLN 998 N 1.32 2.30 -0.02 2.79 -0.21 0.02 -1.56 119.66 124.30 3kr8 s GLN 998 Ca -0.02 -0.83 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 3kr8 s GLN 998 Cb -0.14 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 3kr8 s GLN 998 CO -0.04 0.58 0.96 0.15 -2.12 0.00 0.00 175.29 174.83 3kr8 s LYS 999 N -1.06 4.53 -0.19 2.91 1.02 0.07 -1.28 119.74 125.73 3kr8 s LYS 999 Ca 0.13 1.37 -0.20 0.00 0.02 0.00 0.00 55.97 57.30 3kr8 s LYS 999 Cb -0.11 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3kr8 s LYS 999 CO 0.03 -0.08 0.58 0.08 -0.92 0.00 0.00 175.35 175.04 3kr8 s VAL 1000N 1.13 5.06 -0.13 3.17 1.01 0.54 -1.59 120.40 129.59 3kr8 s VAL 1000Ca 0.50 1.09 -0.00 0.00 0.00 0.00 0.00 61.98 63.57 3kr8 s VAL 1000Cb -0.20 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3kr8 s VAL 1000CO 0.26 0.14 -0.10 0.00 0.00 0.00 0.00 175.10 175.40 3kr8 s ASN 1002N 1.61 -0.57 0.17 0.00 3.84 -1.26 -0.84 114.94 117.88 3kr8 s ASN 1002Ca 0.05 0.35 -0.14 0.00 0.21 0.00 0.00 52.86 53.33 3kr8 s ASN 1002Cb -0.13 1.62 0.08 0.00 -0.55 0.00 0.00 41.25 42.26 3kr8 s ASN 1002CO -0.09 -0.29 1.81 0.50 -2.79 0.00 0.00 177.10 176.24 3kr8 h LYS 1003N 8.09 0.57 -0.26 0.43 3.64 -1.98 -1.03 116.57 126.03 3kr8 h LYS 1003Ca -0.16 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3kr8 h LYS 1003Cb 1.16 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3kr8 h LYS 1003CO 0.25 0.38 0.05 -0.22 -2.27 0.00 0.00 179.45 177.64 3kr8 h LYS 1004N 0.59 0.14 -0.00 1.90 3.64 -1.97 -1.40 116.57 119.47 3kr8 h LYS 1004Ca 0.19 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 3kr8 h LYS 1004Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3kr8 h LYS 1004CO -0.08 0.09 -0.76 -0.07 -2.27 0.00 0.00 179.45 176.36 3kr8 h LEU 1005N 0.15 0.02 -0.58 5.20 3.38 -1.93 -1.02 115.31 120.53 3kr8 h LEU 1005Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3kr8 h LEU 1005Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kr8 h LEU 1005CO -0.16 0.78 0.04 -0.25 0.09 0.00 0.00 178.44 178.94 3kr8 h TRP 1006N 0.01 1.08 -0.03 1.13 2.91 -0.95 -1.43 115.95 118.67 3kr8 h TRP 1006Ca -0.01 -0.17 -0.17 0.00 1.13 0.00 0.00 58.89 59.67 3kr8 h TRP 1006Cb 1.35 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 3kr8 h TRP 1006CO 0.00 0.95 -0.73 0.93 -1.03 0.00 0.00 178.44 178.56 3kr8 h GLU 1007N 0.89 0.20 -0.32 2.65 5.08 -1.05 0.57 114.58 122.60 3kr8 h GLU 1007Ca 0.17 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3kr8 h GLU 1007Cb 0.49 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3kr8 h GLU 1007CO 0.02 0.84 0.20 -0.09 -1.00 0.00 0.00 179.01 178.98 3kr8 h ARG 1008N 0.13 0.40 0.24 2.33 2.43 -1.11 -1.50 114.38 117.29 3kr8 h ARG 1008Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kr8 h ARG 1008Cb 1.29 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3kr8 h ARG 1008CO 0.11 0.26 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.80 3kr8 h TYR 1009N 0.41 -0.30 0.00 2.20 5.03 -0.67 -2.98 116.97 120.66 3kr8 h TYR 1009Ca 0.12 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 3kr8 h TYR 1009Cb -0.02 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3kr8 h TYR 1009CO -0.07 -0.19 -0.50 1.79 -1.32 0.00 0.00 178.16 177.88 3kr8 h THR 1010N -0.32 1.29 -0.30 1.81 1.35 -0.85 -0.79 112.91 115.10 3kr8 h THR 1010Ca -0.03 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3kr8 h THR 1010Cb 0.25 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3kr8 h THR 1010CO 0.05 0.49 0.19 -0.74 -0.25 0.00 0.00 175.52 175.26 3kr8 h HIS 1011N 0.00 0.38 -0.25 4.73 -0.00 -1.31 -1.94 115.15 116.77 3kr8 h HIS 1011Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.23 3kr8 h HIS 1011Cb 0.92 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.19 3kr8 h HIS 1011CO 0.00 0.26 -0.42 -0.09 -0.00 0.00 0.00 177.93 177.68 3kr8 h ARG 1012N 0.39 0.60 -0.65 5.26 9.65 -1.29 -2.61 114.38 125.74 3kr8 h ARG 1012Ca 0.11 -0.32 0.05 0.00 -1.10 0.00 0.00 59.98 58.72 3kr8 h ARG 1012Cb -0.02 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.52 3kr8 h ARG 1012CO -0.02 0.91 0.36 -0.09 2.80 0.00 0.00 179.97 183.93 3kr8 h ARG 1013N 0.49 0.66 -0.60 0.20 2.43 -0.94 -0.44 114.38 116.19 3kr8 h ARG 1013Ca 0.04 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kr8 h ARG 1013Cb 0.94 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 3kr8 h ARG 1013CO 0.08 0.44 0.17 -0.22 -1.51 0.00 0.00 179.97 178.93 3kr8 h LYS 1014N 0.68 0.94 -0.11 0.20 3.64 -1.21 0.11 116.57 120.83 3kr8 h LYS 1014Ca 0.28 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3kr8 h LYS 1014Cb 0.15 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kr8 h LYS 1014CO -0.17 0.85 0.03 0.93 -2.27 0.00 0.00 179.45 178.83 3kr8 h GLU 1015N 0.86 0.08 -0.11 1.90 5.08 -0.95 -0.77 114.58 120.67 3kr8 h GLU 1015Ca 0.19 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3kr8 h GLU 1015Cb 0.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3kr8 h GLU 1015CO -0.00 0.05 -0.04 0.28 -1.00 0.00 0.00 179.01 178.31 3kr8 h VAL 1016N 0.09 0.87 -0.46 3.13 2.07 -0.87 -2.55 116.25 118.52 3kr8 h VAL 1016Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3kr8 h VAL 1016Cb 0.03 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3kr8 h VAL 1016CO -0.05 0.00 0.21 -1.28 0.02 0.00 0.00 177.57 176.47 3kr8 h SER 1017N -0.01 0.29 0.20 0.57 0.87 -0.81 -0.49 113.55 114.17 3kr8 h SER 1017Ca 0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3kr8 h SER 1017Cb 0.10 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3kr8 h SER 1017CO -0.12 0.21 -0.09 -0.33 -0.53 0.00 0.00 176.83 175.97 3kr8 h GLU 1018N 0.43 0.00 0.00 2.24 5.08 -1.04 0.12 114.58 121.41 3kr8 h GLU 1018Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kr8 h GLU 1018Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kr8 h GLU 1018CO -0.16 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.33 3kr8 n GLU 1019N -3.88 0.42 -2.76 2.33 1.02 -0.24 -4.34 120.64 113.19 3kr8 n GLU 1019Ca -0.02 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 3kr8 n GLU 1019Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3kr8 n GLU 1019CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kr8 n ASN 1020N -1.28 0.88 -4.07 1.62 5.15 -0.61 -4.99 115.26 111.97 3kr8 n ASN 1020Ca 0.14 -2.76 -0.28 0.00 -0.60 0.00 0.00 54.58 51.07 3kr8 n ASN 1020Cb 0.23 -0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 39.12 3kr8 n ASN 1020CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kr8 n HIS 1021N -0.05 -1.52 -3.58 1.20 1.44 -1.21 -1.25 115.22 110.26 3kr8 n HIS 1021Ca 0.10 0.66 -0.26 0.00 -2.01 0.00 0.00 57.72 56.21 3kr8 n HIS 1021Cb 0.79 -3.38 0.04 0.00 0.12 0.00 0.00 29.99 27.56 3kr8 n HIS 1021CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3kr8 n ASN 1022N -2.91 -5.37 -3.71 4.39 3.02 0.32 -4.96 115.26 106.04 3kr8 n ASN 1022Ca -0.30 -0.56 -0.29 0.00 -0.03 0.00 0.00 54.58 53.39 3kr8 n ASN 1022Cb 0.68 -4.29 -0.15 0.00 -0.61 0.00 0.00 39.78 35.41 3kr8 n ASN 1022CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kr8 s HIS 1023N -3.23 1.34 0.30 3.10 2.46 -0.38 -4.96 115.29 113.92 3kr8 s HIS 1023Ca 0.54 -1.37 0.18 0.00 0.47 0.00 0.00 55.06 54.88 3kr8 s HIS 1023Cb -0.26 -1.40 0.87 0.00 -0.13 0.00 0.00 32.58 31.66 3kr8 s HIS 1023CO 0.67 -0.79 1.84 0.00 -2.47 0.00 0.00 174.74 173.99 3kr8 h ALA 1024N 8.17 1.20 -5.71 1.58 0.00 -1.85 -3.40 119.26 119.25 3kr8 h ALA 1024Ca -0.15 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 3kr8 h ALA 1024Cb 1.05 -0.05 0.16 0.00 0.00 0.00 0.00 17.79 18.94 3kr8 h ALA 1024CO 0.43 0.40 -0.88 -1.71 0.00 0.00 0.00 179.25 177.49 3kr8 n ASN 1025N -3.77 -6.24 -4.72 0.00 5.15 -1.26 -0.66 115.26 103.75 3kr8 n ASN 1025Ca -0.01 -0.81 -0.38 0.00 -0.60 0.00 0.00 54.58 52.78 3kr8 n ASN 1025Cb 0.41 -4.61 -0.06 0.00 -0.53 0.00 0.00 39.78 35.00 3kr8 n ASN 1025CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3kr8 s GLU 1026N -4.90 4.36 0.30 1.20 2.12 -1.26 -1.13 118.70 119.38 3kr8 s GLU 1026Ca 0.46 0.56 0.11 0.00 0.36 0.00 0.00 54.97 56.47 3kr8 s GLU 1026Cb -0.10 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 3kr8 s GLU 1026CO 0.78 0.15 -0.16 1.03 -0.54 0.00 0.00 175.26 176.51 3kr8 s ARG 1027N 0.63 1.74 -0.25 4.30 1.81 0.12 -4.95 118.95 122.34 3kr8 s ARG 1027Ca 0.29 -1.81 -0.07 0.00 -1.72 0.00 0.00 55.73 52.43 3kr8 s ARG 1027Cb -0.16 -1.76 -0.02 0.00 -0.45 0.00 0.00 34.95 32.56 3kr8 s ARG 1027CO 0.12 0.28 0.05 -1.64 -0.68 0.00 0.00 175.30 173.43 3kr8 s MET 1028N -3.54 3.52 0.06 3.54 -1.94 -1.26 -0.69 119.30 118.99 3kr8 s MET 1028Ca 0.31 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3kr8 s MET 1028Cb -0.03 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 3kr8 s MET 1028CO 0.16 -0.23 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.36 3kr8 s LEU 1029N 1.58 2.37 0.20 -0.03 1.43 0.32 -4.92 118.68 119.63 3kr8 s LEU 1029Ca 0.06 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 3kr8 s LEU 1029Cb -0.15 -0.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 3kr8 s LEU 1029CO 0.02 -0.35 0.59 -0.36 0.23 0.00 0.00 176.35 176.49 3kr8 s PHE 1030N -2.47 3.53 -0.03 0.29 0.08 0.04 0.23 117.98 119.66 3kr8 s PHE 1030Ca -0.01 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.12 3kr8 s PHE 1030Cb -0.03 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 3kr8 s PHE 1030CO -0.03 0.33 -0.05 -1.58 -0.10 0.00 0.00 175.22 173.80 3kr8 s HIS 1031N -1.63 0.62 -0.08 0.36 5.65 0.69 -1.33 115.29 119.57 3kr8 s HIS 1031Ca 0.43 -0.14 0.05 0.00 0.25 0.00 0.00 55.06 55.65 3kr8 s HIS 1031Cb -0.14 -0.52 -0.00 0.00 -1.18 0.00 0.00 32.58 30.75 3kr8 s HIS 1031CO 0.20 -0.11 -0.23 0.20 -0.65 0.00 0.00 174.74 174.14 3kr8 s GLY 1032N 0.51 1.26 -0.11 1.59 0.00 -1.26 0.10 107.32 109.41 3kr8 s GLY 1032Ca -0.06 -0.94 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 3kr8 s GLY 1032CO -0.00 -0.40 0.64 -0.45 0.00 0.00 0.00 173.10 172.89 3kr8 s SER 1033N 0.19 -0.63 0.19 1.64 0.15 -1.24 -4.55 113.70 109.46 3kr8 s SER 1033Ca -0.13 0.87 0.17 0.00 0.70 0.00 0.00 55.95 57.55 3kr8 s SER 1033Cb -0.16 0.79 0.81 0.00 -1.71 0.00 0.00 66.02 65.75 3kr8 s SER 1033CO 0.07 -0.47 1.52 -2.65 1.20 0.00 0.00 173.24 172.91 3kr8 n PRO 1034N 1.55 0.11 -0.96 5.44 -0.02 -1.23 -3.03 135.00 136.85 3kr8 n PRO 1034Ca -0.18 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3kr8 n PRO 1034Cb 0.56 -1.78 0.31 0.00 -0.02 0.00 0.00 33.50 32.58 3kr8 n PRO 1034CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kr8 n PHE 1035N -2.00 2.26 -0.24 6.00 3.72 -1.26 -4.67 117.46 121.27 3kr8 n PHE 1035Ca 0.01 -1.14 0.04 0.00 -0.05 0.00 0.00 57.45 56.30 3kr8 n PHE 1035Cb 0.11 -0.64 0.14 0.00 -0.94 0.00 0.00 39.48 38.15 3kr8 n PHE 1035CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kr8 h VAL 1036N 2.72 0.41 0.13 -4.37 2.07 -1.94 -0.30 116.25 114.97 3kr8 h VAL 1036Ca 0.21 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3kr8 h VAL 1036Cb 2.21 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3kr8 h VAL 1036CO 0.66 0.02 -0.06 -1.13 0.02 0.00 0.00 177.57 177.08 3kr8 h ASN 1037N 0.13 -0.15 -0.08 0.57 -0.73 -1.90 -0.87 115.58 112.54 3kr8 h ASN 1037Ca 0.38 -0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.48 3kr8 h ASN 1037Cb 0.66 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 3kr8 h ASN 1037CO -0.60 -0.01 0.06 0.00 -0.37 0.00 0.00 177.43 176.51 3kr8 h ALA 1038N 0.56 2.00 -0.35 1.57 0.00 -1.79 -2.49 119.26 118.77 3kr8 h ALA 1038Ca -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3kr8 h ALA 1038Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kr8 h ALA 1038CO 0.03 -0.01 -0.23 0.82 0.00 0.00 0.00 179.25 179.86 3kr8 h ILE 1039N 0.07 1.29 0.00 0.00 2.04 0.25 0.12 117.51 121.28 3kr8 h ILE 1039Ca 0.03 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 3kr8 h ILE 1039Cb 0.06 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kr8 h ILE 1039CO -0.00 0.45 -0.25 0.16 0.00 0.00 0.00 178.15 178.50 3kr8 h ILE 1040N 0.55 0.57 0.06 -0.67 3.07 -0.91 -0.56 117.51 119.62 3kr8 h ILE 1040Ca 0.07 -1.26 -0.36 0.00 1.55 0.00 0.00 64.86 64.86 3kr8 h ILE 1040Cb 0.79 1.87 -0.04 0.00 -0.27 0.00 0.00 36.82 39.16 3kr8 h ILE 1040CO 0.06 0.25 -2.11 1.41 -1.05 0.00 0.00 178.15 176.71 3kr8 n HIS 1041N -3.35 0.77 0.20 0.16 8.25 -0.97 -4.62 115.22 115.66 3kr8 n HIS 1041Ca 0.01 0.19 0.02 0.00 -0.26 0.00 0.00 57.72 57.68 3kr8 n HIS 1041Cb 0.48 -1.11 -0.02 0.00 1.12 0.00 0.00 29.99 30.46 3kr8 n HIS 1041CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kr8 n LYS 1042N -3.27 4.46 0.00 -0.41 5.02 0.41 -4.71 118.16 119.66 3kr8 n LYS 1042Ca -0.33 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 3kr8 n LYS 1042Cb 1.05 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 3kr8 n LYS 1042CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr8 n GLY 1043N 0.95 -0.15 3.73 0.72 0.00 -0.22 -4.92 105.19 105.30 3kr8 n GLY 1043Ca 0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 3kr8 n GLY 1043CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kr8 s PHE 1044N -2.45 3.32 0.05 1.61 0.08 -1.26 -4.55 117.98 114.78 3kr8 s PHE 1044Ca 0.00 1.27 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 3kr8 s PHE 1044Cb 0.00 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 3kr8 s PHE 1044CO 0.00 -1.67 0.08 -0.40 -0.10 0.00 0.00 175.22 173.13 3kr8 n ASP 1045N 2.76 -0.23 -0.06 1.36 5.68 -1.26 -4.32 116.55 120.48 3kr8 n ASP 1045Ca 0.06 -1.26 0.25 0.00 -0.50 0.00 0.00 54.79 53.34 3kr8 n ASP 1045Cb 0.44 0.41 0.72 0.00 -1.14 0.00 0.00 41.12 41.54 3kr8 n ASP 1045CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kr8 h GLU 1046N 0.00 0.00 0.00 0.11 9.09 -1.96 -1.16 114.58 120.66 3kr8 h GLU 1046Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3kr8 h GLU 1046Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3kr8 h GLU 1046CO 0.05 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.65 3kr8 n ARG 1047N -4.01 0.34 -0.15 1.06 5.12 -1.26 -2.68 116.66 115.08 3kr8 n ARG 1047Ca 0.13 0.05 0.09 0.00 -1.93 0.00 0.00 57.85 56.20 3kr8 n ARG 1047Cb 0.82 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.78 3kr8 n ARG 1047CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3kr8 n HIS 1048N -1.29 0.39 -2.72 -1.55 8.25 -0.44 -5.01 115.22 112.85 3kr8 n HIS 1048Ca 0.11 -0.25 -0.36 0.00 -0.26 0.00 0.00 57.72 56.96 3kr8 n HIS 1048Cb 0.20 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 3kr8 n HIS 1048CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kr8 s ALA 1049N -1.28 3.13 -0.85 -1.41 0.00 -1.09 -4.77 121.76 115.50 3kr8 s ALA 1049Ca 0.30 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 3kr8 s ALA 1049Cb 0.18 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.21 3kr8 s ALA 1049CO 0.25 0.06 1.08 -0.47 0.00 0.00 0.00 175.76 176.67 3kr8 s TYR 1050N -1.77 2.99 0.29 0.00 6.04 0.13 -4.88 117.35 120.15 3kr8 s TYR 1050Ca 0.55 -1.16 -0.01 0.00 0.04 0.00 0.00 57.07 56.50 3kr8 s TYR 1050Cb -0.17 -4.28 0.48 0.00 -1.04 0.00 0.00 41.96 36.94 3kr8 s TYR 1050CO 0.22 -1.53 1.90 0.82 -1.54 0.00 0.00 175.55 175.43 3kr8 h ILE 1051N 5.90 1.09 -0.34 3.14 1.08 -1.86 -1.62 117.51 124.89 3kr8 h ILE 1051Ca 0.03 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3kr8 h ILE 1051Cb 1.04 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3kr8 h ILE 1051CO 1.13 0.20 0.00 0.61 -0.69 0.00 0.00 178.15 179.40 3kr8 n GLY 1052N -1.39 2.18 3.74 5.37 0.00 -1.26 -3.81 105.19 110.02 3kr8 n GLY 1052Ca 0.14 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3kr8 n GLY 1052CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kr8 s GLY 1053N -0.51 2.01 0.13 -0.02 0.00 -0.61 -4.91 107.32 103.41 3kr8 s GLY 1053Ca 0.31 0.58 0.20 0.00 0.00 0.00 0.00 44.72 45.81 3kr8 s GLY 1053CO 0.10 0.96 1.61 1.03 0.00 0.00 0.00 173.10 176.80 3kr8 n MET 1054N -3.09 0.10 -0.29 2.90 2.81 -1.26 -1.76 117.12 116.53 3kr8 n MET 1054Ca 0.11 0.32 0.08 0.00 -1.81 0.00 0.00 57.70 56.40 3kr8 n MET 1054Cb 0.52 -1.69 0.18 0.00 -0.71 0.00 0.00 33.22 31.52 3kr8 n MET 1054CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3kr8 n PHE 1055N -1.88 0.22 0.00 2.03 3.72 -1.26 -5.09 117.46 115.20 3kr8 n PHE 1055Ca 0.03 -1.13 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3kr8 n PHE 1055Cb 0.21 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3kr8 n PHE 1055CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kr8 n GLY 1056N -1.21 0.37 3.60 1.37 0.00 -0.72 -4.86 105.19 103.73 3kr8 n GLY 1056Ca 0.19 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3kr8 n GLY 1056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr8 s ALA 1057N -1.21 2.89 0.12 4.61 0.00 -1.25 -4.05 121.76 122.88 3kr8 s ALA 1057Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 3kr8 s ALA 1057Cb 0.00 -4.01 0.05 0.00 0.00 0.00 0.00 23.12 19.16 3kr8 s ALA 1057CO 0.00 -2.62 0.66 0.41 0.00 0.00 0.00 175.76 174.21 3kr8 n GLY 1058N 5.31 0.86 3.60 0.00 0.00 -1.24 -1.87 105.19 111.86 3kr8 n GLY 1058Ca 0.20 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3kr8 n GLY 1058CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr8 s ILE 1059N -2.25 5.13 -0.05 -0.61 1.01 0.01 0.17 121.20 124.63 3kr8 s ILE 1059Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3kr8 s ILE 1059Cb -0.02 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3kr8 s ILE 1059CO 0.04 0.33 0.07 -0.31 0.00 0.00 0.00 174.94 175.06 3kr8 s TYR 1060N 1.29 3.30 0.03 3.97 2.02 -1.26 -1.64 117.35 125.06 3kr8 s TYR 1060Ca 0.07 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3kr8 s TYR 1060Cb -0.14 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3kr8 s TYR 1060CO 0.06 0.56 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.48 3kr8 s PHE 1061N -1.08 0.50 0.01 2.71 0.08 0.70 -4.79 117.98 116.12 3kr8 s PHE 1061Ca 0.19 -0.47 0.05 0.00 0.12 0.00 0.00 56.93 56.81 3kr8 s PHE 1061Cb -0.12 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.00 3kr8 s PHE 1061CO 0.09 -0.11 -0.15 0.00 -0.10 0.00 0.00 175.22 174.94 3kr8 s ALA 1062N -1.30 1.27 0.17 5.36 0.00 -0.44 -0.54 121.76 126.27 3kr8 s ALA 1062Ca -0.11 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 3kr8 s ALA 1062Cb -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3kr8 s ALA 1062CO -0.00 0.28 1.56 0.93 0.00 0.00 0.00 175.76 178.53 3kr8 h GLU 1063N 5.34 1.00 -6.23 0.00 5.08 -1.71 0.15 114.58 118.21 3kr8 h GLU 1063Ca -0.37 -0.42 -0.57 0.00 -1.00 0.00 0.00 59.36 57.00 3kr8 h GLU 1063Cb 1.17 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 3kr8 h GLU 1063CO 0.46 1.10 0.85 -0.80 -1.00 0.00 0.00 179.01 179.62 3kr8 s ASN 1064N -6.71 6.95 0.30 1.42 0.02 -1.26 -4.80 114.94 110.86 3kr8 s ASN 1064Ca -0.11 1.23 -0.01 0.00 -1.02 0.00 0.00 52.86 52.95 3kr8 s ASN 1064Cb 0.12 -2.54 0.49 0.00 0.02 0.00 0.00 41.25 39.34 3kr8 s ASN 1064CO 0.87 -0.83 1.95 0.77 0.02 0.00 0.00 177.10 179.88 3kr8 h SER 1065N 8.05 0.92 0.58 -1.22 4.64 -1.79 -1.45 113.55 123.28 3kr8 h SER 1065Ca -0.21 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3kr8 h SER 1065Cb 1.07 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3kr8 h SER 1065CO 1.01 0.63 -0.15 0.77 -0.87 0.00 0.00 176.83 178.23 3kr8 h SER 1066N 1.07 0.00 -0.08 4.97 4.64 -1.88 0.06 113.55 122.32 3kr8 h SER 1066Ca 0.34 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 3kr8 h SER 1066Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3kr8 h SER 1066CO -0.10 0.15 -0.05 0.50 -0.87 0.00 0.00 176.83 176.46 3kr8 h LYS 1067N 0.00 0.18 -0.76 4.77 1.63 -1.58 -3.14 116.57 117.67 3kr8 h LYS 1067Ca -0.00 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3kr8 h LYS 1067Cb 0.48 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 3kr8 h LYS 1067CO 0.02 0.57 0.41 0.77 -3.45 0.00 0.00 179.45 177.78 3kr8 h SER 1068N -0.21 0.95 -1.02 4.20 0.02 -1.27 -2.16 113.55 114.06 3kr8 h SER 1068Ca 0.02 -0.08 0.27 0.00 -0.84 0.00 0.00 61.79 61.16 3kr8 h SER 1068Cb 0.53 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 3kr8 h SER 1068CO 0.01 0.77 0.69 -1.13 -1.14 0.00 0.00 176.83 176.04 3kr8 h ASN 1069N 1.06 0.23 0.28 3.07 -1.24 -0.98 -0.09 115.58 117.92 3kr8 h ASN 1069Ca 0.27 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.32 3kr8 h ASN 1069Cb 0.03 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 3kr8 h ASN 1069CO -0.04 0.06 0.00 1.56 -1.29 0.00 0.00 177.43 177.72 3kr8 h GLN 1070N 0.22 0.00 -0.18 6.67 4.20 -1.34 -2.53 115.11 122.14 3kr8 h GLN 1070Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3kr8 h GLN 1070Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 3kr8 h GLN 1070CO -0.14 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.68 3kr8 n TYR 1071N -2.75 0.22 -0.25 2.96 4.01 -0.05 -1.79 117.16 119.51 3kr8 n TYR 1071Ca -0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 3kr8 n TYR 1071Cb 0.12 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 39.25 3kr8 n TYR 1071CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kr8 h VAL 1072N 3.10 1.01 -0.59 -0.72 2.07 -1.47 -2.48 116.25 117.16 3kr8 h VAL 1072Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kr8 h VAL 1072Cb 0.73 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kr8 h VAL 1072CO 0.00 0.14 0.00 -1.22 0.02 0.00 0.00 177.57 176.51 3kr8 n TYR 1073N -4.73 1.33 0.00 1.57 4.01 -1.26 -3.56 117.16 114.53 3kr8 n TYR 1073Ca 0.09 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3kr8 n TYR 1073Cb 0.16 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3kr8 n TYR 1073CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kr8 n GLY 1074N 0.94 1.29 3.72 2.72 0.00 -0.93 -3.47 105.19 109.47 3kr8 n GLY 1074Ca 0.24 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3kr8 n GLY 1074CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kr8 n ILE 1075N -1.08 0.01 -1.42 -0.61 5.41 -1.26 -0.91 119.36 119.51 3kr8 n ILE 1075Ca 0.00 -0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3kr8 n ILE 1075Cb 0.00 -1.97 -0.05 0.00 -0.71 0.00 0.00 39.64 36.90 3kr8 n ILE 1075CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kr8 n GLY 1076N 3.94 1.30 3.16 7.39 0.00 -1.26 -1.59 105.19 118.13 3kr8 n GLY 1076Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3kr8 n GLY 1076CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr8 n GLY 1077N -1.37 1.01 7.00 -0.02 0.00 -0.08 -4.47 105.19 107.26 3kr8 n GLY 1077Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3kr8 n GLY 1077CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr8 n GLY 1078N -2.00 2.98 1.70 -0.02 0.00 -0.62 -1.08 105.19 106.15 3kr8 n GLY 1078Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3kr8 n GLY 1078CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr8 n THR 1079N 0.00 2.15 -3.77 2.61 -2.24 -1.26 -5.00 114.28 106.76 3kr8 n THR 1079Ca 0.00 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 3kr8 n THR 1079Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3kr8 n THR 1079CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kr8 n GLY 1080N 0.97 -1.64 3.71 3.38 0.00 -0.24 -3.45 105.19 107.91 3kr8 n GLY 1080Ca 0.26 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3kr8 n GLY 1080CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr8 h PRO 1082N 0.29 0.13 0.01 0.00 0.11 -1.93 -0.68 132.00 129.93 3kr8 h PRO 1082Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kr8 h PRO 1082Cb 1.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3kr8 h PRO 1082CO 0.51 0.37 -0.01 0.28 -0.21 0.00 0.00 178.00 178.95 3kr8 h VAL 1083N 0.12 1.55 -0.02 3.15 2.07 -1.98 -3.38 116.25 117.75 3kr8 h VAL 1083Ca 0.02 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.59 3kr8 h VAL 1083Cb 0.50 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3kr8 h VAL 1083CO 0.03 0.49 -0.05 1.41 0.02 0.00 0.00 177.57 179.47 3kr8 n HIS 1084N -4.69 0.00 -3.89 1.57 8.25 -1.25 -5.01 115.22 110.19 3kr8 n HIS 1084Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 3kr8 n HIS 1084Cb 0.39 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 3kr8 n HIS 1084CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kr8 n LYS 1085N 0.70 -3.61 -3.80 -0.41 4.76 -0.26 -4.93 118.16 110.61 3kr8 n LYS 1085Ca 0.08 0.45 -0.28 0.00 -2.87 0.00 0.00 58.31 55.70 3kr8 n LYS 1085Cb 0.37 -4.66 -0.16 0.00 -1.84 0.00 0.00 35.03 28.74 3kr8 n LYS 1085CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kr8 s ASP 1086N -4.36 2.97 0.55 4.39 2.15 -1.22 -4.70 116.67 116.45 3kr8 s ASP 1086Ca 0.01 -0.80 0.36 0.00 0.43 0.00 0.00 52.55 52.54 3kr8 s ASP 1086Cb -0.00 -0.75 1.62 0.00 -0.30 0.00 0.00 42.92 43.49 3kr8 s ASP 1086CO 0.87 -0.26 2.06 0.03 -0.17 0.00 0.00 175.17 177.70 3kr8 h ARG 1087N 8.17 0.00 -0.50 4.34 3.08 -1.89 -2.38 114.38 125.21 3kr8 h ARG 1087Ca -0.18 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.58 3kr8 h ARG 1087Cb 1.11 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.99 3kr8 h ARG 1087CO 0.36 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.71 3kr8 n SER 1088N -3.00 3.12 -4.71 7.04 2.88 -1.26 -3.14 113.62 114.55 3kr8 n SER 1088Ca -0.00 -3.78 -0.42 0.00 -1.33 0.00 0.00 58.87 53.34 3kr8 n SER 1088Cb 0.23 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 3kr8 n SER 1088CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kr8 n TYR 1090N 4.41 0.00 -0.14 0.00 4.01 -1.26 -4.48 117.16 119.70 3kr8 n TYR 1090Ca 0.14 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.61 3kr8 n TYR 1090Cb 0.40 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 3kr8 n TYR 1090CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3kr8 n ILE 1091N -0.25 1.52 -2.29 -0.72 5.41 -1.26 -4.75 119.36 117.01 3kr8 n ILE 1091Ca 0.10 -0.43 -0.40 0.00 1.00 0.00 0.00 62.75 63.02 3kr8 n ILE 1091Cb 0.43 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 3kr8 n ILE 1091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kr8 s HIS 1093N -1.22 3.14 0.21 0.00 3.76 -1.26 -4.68 115.29 115.24 3kr8 s HIS 1093Ca 0.49 1.02 0.06 0.00 -0.15 0.00 0.00 55.06 56.48 3kr8 s HIS 1093Cb -0.35 -3.58 -0.04 0.00 1.11 0.00 0.00 32.58 29.73 3kr8 s HIS 1093CO 0.45 -2.02 0.14 1.03 -0.85 0.00 0.00 174.74 173.49 3kr8 s ARG 1094N 1.69 2.82 -0.01 1.40 0.52 0.30 -4.92 118.95 120.76 3kr8 s ARG 1094Ca 0.62 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 3kr8 s ARG 1094Cb -0.32 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 3kr8 s ARG 1094CO 0.28 0.44 -0.13 -0.65 0.02 0.00 0.00 175.30 175.25 3kr8 s GLN 1095N -3.44 1.10 0.14 3.54 -0.21 -1.26 -0.28 119.66 119.26 3kr8 s GLN 1095Ca 0.31 -0.47 0.08 0.00 0.02 0.00 0.00 55.36 55.30 3kr8 s GLN 1095Cb -0.09 -1.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.83 3kr8 s GLN 1095CO 0.23 0.28 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.98 3kr8 s LEU 1096N -0.28 2.39 -0.12 2.90 1.43 -0.32 -4.69 118.68 120.00 3kr8 s LEU 1096Ca 0.04 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.28 3kr8 s LEU 1096Cb -0.06 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3kr8 s LEU 1096CO -0.00 -0.01 0.10 -0.76 0.23 0.00 0.00 176.35 175.90 3kr8 s LEU 1097N -2.43 4.15 -0.34 1.79 1.43 0.11 -1.45 118.68 121.94 3kr8 s LEU 1097Ca 0.13 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 3kr8 s LEU 1097Cb -0.07 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.19 3kr8 s LEU 1097CO 0.06 0.38 0.13 0.12 0.23 0.00 0.00 176.35 177.27 3kr8 s PHE 1098N -0.88 3.25 -0.00 0.29 5.36 -0.27 -0.22 117.98 125.50 3kr8 s PHE 1098Ca 0.14 -1.30 0.04 0.00 -0.96 0.00 0.00 56.93 54.85 3kr8 s PHE 1098Cb -0.12 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 3kr8 s PHE 1098CO 0.03 -0.70 -0.10 0.00 -1.46 0.00 0.00 175.22 172.99 3kr8 s ARG 1100N -1.26 4.27 -0.09 0.00 3.52 -0.53 -0.52 118.95 124.33 3kr8 s ARG 1100Ca 0.15 0.99 0.03 0.00 -0.13 0.00 0.00 55.73 56.77 3kr8 s ARG 1100Cb -0.11 -3.59 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3kr8 s ARG 1100CO 0.05 -0.37 -0.18 0.08 -0.81 0.00 0.00 175.30 174.08 3kr8 s VAL 1101N 2.32 1.60 -0.37 7.11 1.01 0.14 -0.80 120.40 131.41 3kr8 s VAL 1101Ca 0.37 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3kr8 s VAL 1101Cb -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3kr8 s VAL 1101CO 0.11 0.46 0.61 -0.89 0.00 0.00 0.00 175.10 175.39 3kr8 s THR 1102N 0.67 4.90 -0.05 3.92 2.01 0.26 0.11 115.64 127.46 3kr8 s THR 1102Ca -0.13 0.46 0.13 0.00 0.31 0.00 0.00 61.69 62.46 3kr8 s THR 1102Cb -0.16 -4.08 -0.23 0.00 0.01 0.00 0.00 72.50 68.04 3kr8 s THR 1102CO 0.03 -0.34 0.65 0.18 -0.69 0.00 0.00 174.62 174.45 3kr8 n LEU 1103N 6.02 0.84 0.00 4.42 4.77 -0.29 -4.92 117.00 127.85 3kr8 n LEU 1103Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3kr8 n LEU 1103Cb 0.48 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3kr8 n LEU 1103CO 0.49 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3kr8 n GLY 1104N 1.55 2.69 3.60 -0.72 0.00 0.16 -3.58 105.19 108.89 3kr8 n GLY 1104Ca -0.17 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3kr8 n GLY 1104CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kr8 s LYS 1105N 0.00 3.80 -0.12 1.61 2.20 -1.26 -4.73 119.74 121.24 3kr8 s LYS 1105Ca 0.00 0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 56.08 3kr8 s LYS 1105Cb 0.00 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3kr8 s LYS 1105CO 0.00 -0.96 0.03 0.45 -0.36 0.00 0.00 175.35 174.51 3kr8 s SER 1106N 1.91 5.42 -0.23 1.43 0.15 -1.26 -0.40 113.70 120.73 3kr8 s SER 1106Ca 0.37 0.14 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 3kr8 s SER 1106Cb -0.12 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3kr8 s SER 1106CO 0.19 0.31 0.95 0.12 1.20 0.00 0.00 173.24 176.01 3kr8 s PHE 1107N -0.46 3.34 -0.11 3.44 5.36 0.15 -4.79 117.98 124.90 3kr8 s PHE 1107Ca 0.09 1.34 -0.24 0.00 -0.96 0.00 0.00 56.93 57.16 3kr8 s PHE 1107Cb -0.12 -3.17 -0.03 0.00 -0.34 0.00 0.00 43.02 39.36 3kr8 s PHE 1107CO 0.02 -0.43 0.75 -0.51 -1.46 0.00 0.00 175.22 173.59 3kr8 s LEU 1108N 2.95 4.26 -0.12 6.12 1.43 -1.26 -0.74 118.68 131.32 3kr8 s LEU 1108Ca 0.40 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 3kr8 s LEU 1108Cb -0.15 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 42.96 3kr8 s LEU 1108CO 0.07 -0.23 -0.13 -1.58 0.23 0.00 0.00 176.35 174.72 3kr8 s GLN 1109N 1.35 2.03 -0.03 1.70 2.00 -0.43 -4.96 119.66 121.31 3kr8 s GLN 1109Ca 0.37 -0.47 -0.18 0.00 -2.00 0.00 0.00 55.36 53.08 3kr8 s GLN 1109Cb -0.17 -1.83 -0.05 0.00 0.80 0.00 0.00 33.01 31.76 3kr8 s GLN 1109CO 0.16 -0.15 0.50 -0.06 -0.50 0.00 0.00 175.29 175.24 3kr8 s PHE 1110N 1.26 3.65 0.00 1.67 0.08 -1.26 -0.76 117.98 122.62 3kr8 s PHE 1110Ca -0.02 1.05 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3kr8 s PHE 1110Cb -0.14 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3kr8 s PHE 1110CO -0.05 0.40 0.00 -1.13 -0.10 0.00 0.00 175.22 174.33 3kr8 n SER 1111N 2.68 0.00 0.00 1.36 3.41 -0.59 -4.93 113.62 115.55 3kr8 n SER 1111Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3kr8 n SER 1111Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3kr8 n SER 1111CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kr8 n ALA 1116N -3.00 0.00 -2.45 7.33 0.00 -0.78 0.27 120.51 121.88 3kr8 n ALA 1116Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3kr8 n ALA 1116Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3kr8 n ALA 1116CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kr8 s HIS 1117N -0.10 2.43 0.70 0.00 3.76 -1.26 -4.90 115.29 115.92 3kr8 s HIS 1117Ca 0.00 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.44 3kr8 s HIS 1117Cb 0.00 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.43 3kr8 s HIS 1117CO 0.00 0.39 1.18 -1.54 -0.85 0.00 0.00 174.74 173.93 3kr8 s SER 1118N -2.23 4.50 0.29 1.40 1.04 -1.26 -4.93 113.70 112.51 3kr8 s SER 1118Ca 0.17 2.28 -0.29 0.00 0.48 0.00 0.00 55.95 58.59 3kr8 s SER 1118Cb -0.10 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.30 3kr8 s SER 1118CO 0.09 -2.05 1.12 -2.65 0.98 0.00 0.00 173.24 170.72 3kr8 n PRO 1119N -2.54 1.57 -1.07 4.02 -0.02 -1.26 -4.81 135.00 130.89 3kr8 n PRO 1119Ca 0.13 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 3kr8 n PRO 1119Cb 0.51 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3kr8 n PRO 1119CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kr8 n PRO 1120N 0.85 0.00 -1.05 0.52 -0.02 -1.26 -0.97 135.00 133.07 3kr8 n PRO 1120Ca 0.09 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 3kr8 n PRO 1120Cb 0.32 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.79 3kr8 n PRO 1120CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr8 n GLY 1121N 1.16 0.48 3.36 -1.23 0.00 -1.26 -5.00 105.19 102.69 3kr8 n GLY 1121Ca 0.14 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3kr8 n GLY 1121CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kr8 s HIS 1122N -1.82 1.71 -0.33 1.61 3.76 -0.14 -4.92 115.29 115.16 3kr8 s HIS 1122Ca 0.00 -0.72 0.05 0.00 -0.15 0.00 0.00 55.06 54.23 3kr8 s HIS 1122Cb 0.00 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 3kr8 s HIS 1122CO 0.00 0.20 0.32 0.72 -0.85 0.00 0.00 174.74 175.13 3kr8 n HIS 1123N -0.44 0.00 -3.82 1.40 8.25 0.47 -4.69 115.22 116.38 3kr8 n HIS 1123Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.36 3kr8 n HIS 1123Cb 0.62 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.74 3kr8 n HIS 1123CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kr8 s SER 1124N -1.19 -0.06 -0.05 0.41 1.04 -1.23 -4.58 113.70 108.04 3kr8 s SER 1124Ca 0.03 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 55.91 3kr8 s SER 1124Cb 0.04 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3kr8 s SER 1124CO 0.16 -1.00 -0.20 -0.69 0.98 0.00 0.00 173.24 172.49 3kr8 s VAL 1125N -2.61 1.66 -0.22 5.02 1.01 -0.42 -0.68 120.40 124.16 3kr8 s VAL 1125Ca 0.18 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3kr8 s VAL 1125Cb -0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3kr8 s VAL 1125CO 0.04 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 174.78 3kr8 s THR 1126N -0.05 4.47 -0.51 3.92 2.01 0.08 -1.00 115.64 124.57 3kr8 s THR 1126Ca -0.03 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 3kr8 s THR 1126Cb -0.12 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.38 3kr8 s THR 1126CO 0.03 0.39 0.75 -0.83 -0.69 0.00 0.00 174.62 174.27 3kr8 s GLY 1127N 1.04 1.63 -0.15 4.40 0.00 0.18 -1.32 107.32 113.10 3kr8 s GLY 1127Ca 0.04 -1.47 -0.22 0.00 0.00 0.00 0.00 44.72 43.07 3kr8 s GLY 1127CO 0.03 1.70 0.65 0.50 0.00 0.00 0.00 173.10 175.98 3kr8 s ARG 1128N 3.16 4.30 0.24 2.90 0.52 0.06 -2.06 118.95 128.07 3kr8 s ARG 1128Ca 0.22 0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 3kr8 s ARG 1128Cb -0.16 -3.52 -0.09 0.00 0.52 0.00 0.00 34.95 31.70 3kr8 s ARG 1128CO 0.16 -0.11 1.29 -1.25 0.02 0.00 0.00 175.30 175.40 3kr8 s PRO 1129N 1.46 4.41 -0.06 3.54 0.05 -1.26 -1.54 135.00 141.59 3kr8 s PRO 1129Ca 0.32 2.07 0.14 0.00 0.05 0.00 0.00 61.00 63.58 3kr8 s PRO 1129Cb -0.16 -3.16 0.28 0.00 0.05 0.00 0.00 34.50 31.50 3kr8 s PRO 1129CO 0.13 -0.18 1.13 -1.13 0.05 0.00 0.00 177.00 176.99 3kr8 n SER 1130N 1.99 1.04 0.08 6.66 3.41 0.75 -4.78 113.62 122.78 3kr8 n SER 1130Ca 0.04 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 3kr8 n SER 1130Cb 0.43 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3kr8 n SER 1130CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kr8 n VAL 1131N -0.25 0.00 -1.98 -3.33 0.31 -1.26 -4.89 118.33 106.93 3kr8 n VAL 1131Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 3kr8 n VAL 1131Cb 0.85 -0.18 -0.03 0.00 -0.91 0.00 0.00 33.84 33.57 3kr8 n VAL 1131CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kr8 s ASN 1132N -3.86 5.56 0.59 4.52 3.84 -1.26 -4.88 114.94 119.45 3kr8 s ASN 1132Ca 0.00 0.93 0.35 0.00 0.21 0.00 0.00 52.86 54.35 3kr8 s ASN 1132Cb 0.00 -2.53 1.88 0.00 -0.55 0.00 0.00 41.25 40.06 3kr8 s ASN 1132CO 0.00 -2.04 2.21 1.23 -2.79 0.00 0.00 177.10 175.71 3kr8 h GLY 1133N 15.11 0.00 0.42 1.21 0.00 -1.96 -2.78 103.07 115.08 3kr8 h GLY 1133Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kr8 h GLY 1133CO 1.11 0.00 -0.82 1.04 0.00 0.00 0.00 176.54 177.87 3kr8 n LEU 1134N -3.41 0.78 -4.77 3.11 4.77 -1.26 -4.97 117.00 111.25 3kr8 n LEU 1134Ca -0.02 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 3kr8 n LEU 1134Cb 0.15 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kr8 n LEU 1134CO 0.25 0.19 0.91 0.00 -1.33 0.00 0.00 177.39 177.41 3kr8 s ALA 1135N -3.01 3.11 0.50 -1.18 0.00 -1.05 -5.03 121.76 115.09 3kr8 s ALA 1135Ca 0.09 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.20 3kr8 s ALA 1135Cb 0.16 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3kr8 s ALA 1135CO 0.80 -0.79 0.69 -0.51 0.00 0.00 0.00 175.76 175.95 3kr8 s LEU 1136N -2.73 3.42 0.61 0.00 1.43 -1.26 -4.76 118.68 115.39 3kr8 s LEU 1136Ca 0.60 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 3kr8 s LEU 1136Cb -0.34 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3kr8 s LEU 1136CO 0.43 -1.00 1.17 0.00 0.23 0.00 0.00 176.35 177.18 3kr8 s ALA 1137N -2.60 2.53 0.09 4.21 0.00 -1.26 -4.66 121.76 120.06 3kr8 s ALA 1137Ca 0.57 0.85 0.09 0.00 0.00 0.00 0.00 51.96 53.46 3kr8 s ALA 1137Cb -0.10 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3kr8 s ALA 1137CO 0.36 -1.15 -0.23 -1.21 0.00 0.00 0.00 175.76 173.54 3kr8 s GLU 1138N -3.53 1.36 0.06 0.00 2.02 -0.87 -1.94 118.70 115.80 3kr8 s GLU 1138Ca 0.74 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 54.62 3kr8 s GLU 1138Cb -0.26 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 3kr8 s GLU 1138CO 0.34 0.40 -0.11 0.71 0.02 0.00 0.00 175.26 176.62 3kr8 s TYR 1139N -0.99 0.97 -0.05 1.61 2.02 0.30 0.52 117.35 121.73 3kr8 s TYR 1139Ca 0.09 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3kr8 s TYR 1139Cb -0.10 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3kr8 s TYR 1139CO 0.04 -0.01 -0.06 0.08 -1.57 0.00 0.00 175.55 174.02 3kr8 s VAL 1140N -1.55 0.67 0.19 0.71 1.01 -0.17 -0.21 120.40 121.06 3kr8 s VAL 1140Ca -0.04 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.83 3kr8 s VAL 1140Cb -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3kr8 s VAL 1140CO 0.01 0.25 -0.14 0.27 0.00 0.00 0.00 175.10 175.49 3kr8 s ILE 1141N 0.77 2.90 -1.45 2.22 -4.36 -0.65 -1.30 121.20 119.33 3kr8 s ILE 1141Ca -0.12 -1.82 0.12 0.00 -0.26 0.00 0.00 60.65 58.57 3kr8 s ILE 1141Cb -0.14 -2.43 0.09 0.00 1.25 0.00 0.00 42.46 41.23 3kr8 s ILE 1141CO 0.01 -0.13 0.87 -1.22 0.24 0.00 0.00 174.94 174.71 3kr8 n TYR 1142N 0.06 0.00 -4.23 1.37 4.01 -1.26 -0.81 117.16 116.30 3kr8 n TYR 1142Ca -0.11 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.36 3kr8 n TYR 1142Cb 0.56 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.42 3kr8 n TYR 1142CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3kr8 s ARG 1143N -0.97 1.76 0.54 -0.72 0.52 -1.26 -4.87 118.95 113.95 3kr8 s ARG 1143Ca 0.14 -0.38 0.27 0.00 -0.52 0.00 0.00 55.73 55.23 3kr8 s ARG 1143Cb 0.10 -1.62 1.44 0.00 0.52 0.00 0.00 34.95 35.39 3kr8 s ARG 1143CO 0.15 -0.14 1.97 0.78 0.02 0.00 0.00 175.30 178.09 3kr8 h GLY 1144N 7.65 0.00 2.00 -3.53 0.00 -1.90 -1.90 103.07 105.39 3kr8 h GLY 1144Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kr8 h GLY 1144CO 0.45 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.17 3kr8 n GLU 1145N -4.23 0.15 -0.07 4.80 4.71 -1.26 -2.40 120.64 122.33 3kr8 n GLU 1145Ca 0.10 0.55 0.10 0.00 -0.01 0.00 0.00 57.16 57.90 3kr8 n GLU 1145Cb 0.65 -1.89 0.39 0.00 -1.01 0.00 0.00 31.44 29.58 3kr8 n GLU 1145CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3kr8 n GLN 1146N -2.19 1.60 -4.14 3.49 6.02 -0.71 -4.10 117.38 117.35 3kr8 n GLN 1146Ca -0.00 -0.91 -0.17 0.00 -0.01 0.00 0.00 57.00 55.92 3kr8 n GLN 1146Cb 0.10 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 3kr8 n GLN 1146CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kr8 s ALA 1147N -1.82 1.02 -0.05 -1.58 0.00 -1.01 -0.58 121.76 117.74 3kr8 s ALA 1147Ca 0.31 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3kr8 s ALA 1147Cb 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3kr8 s ALA 1147CO 0.25 0.11 -0.05 -0.47 0.00 0.00 0.00 175.76 175.59 3kr8 s TYR 1148N -1.36 0.90 -1.18 0.00 5.04 0.02 -4.77 117.35 116.01 3kr8 s TYR 1148Ca -0.04 -0.29 -0.20 0.00 -2.44 0.00 0.00 57.07 54.10 3kr8 s TYR 1148Cb -0.10 -0.78 0.06 0.00 0.35 0.00 0.00 41.96 41.49 3kr8 s TYR 1148CO 0.02 -0.24 1.61 -1.25 -1.34 0.00 0.00 175.55 174.35 3kr8 s PRO 1149N 1.03 3.82 0.13 4.97 0.04 -1.26 -1.45 135.00 142.27 3kr8 s PRO 1149Ca -0.09 -1.62 -0.15 0.00 0.04 0.00 0.00 61.00 59.18 3kr8 s PRO 1149Cb -0.14 -5.46 -0.01 0.00 0.04 0.00 0.00 34.50 28.92 3kr8 s PRO 1149CO -0.00 -2.24 1.60 0.93 0.04 0.00 0.00 177.00 177.33 3kr8 h GLU 1150N 8.53 0.68 -4.91 4.56 4.39 -1.80 -3.39 114.58 122.65 3kr8 h GLU 1150Ca 0.34 -0.19 -0.54 0.00 0.34 0.00 0.00 59.36 59.31 3kr8 h GLU 1150Cb 0.93 -0.08 -0.32 0.00 -0.10 0.00 0.00 28.75 29.18 3kr8 h GLU 1150CO 1.45 0.73 -0.83 0.71 -1.16 0.00 0.00 179.01 179.91 3kr8 s TYR 1151N -5.17 1.63 -0.32 4.33 2.02 -0.63 -0.34 117.35 118.88 3kr8 s TYR 1151Ca -0.13 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 55.88 3kr8 s TYR 1151Cb 0.10 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 3kr8 s TYR 1151CO 0.78 -0.24 0.29 -1.17 -1.57 0.00 0.00 175.55 173.64 3kr8 s LEU 1152N 0.37 4.31 -0.19 -1.29 2.96 -0.40 -1.11 118.68 123.33 3kr8 s LEU 1152Ca -0.10 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3kr8 s LEU 1152Cb -0.14 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3kr8 s LEU 1152CO 0.04 -0.22 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.21 3kr8 s ILE 1153N 1.87 3.93 -0.13 6.68 1.01 -0.53 -0.80 121.20 133.23 3kr8 s ILE 1153Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3kr8 s ILE 1153Cb -0.17 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3kr8 s ILE 1153CO 0.11 0.44 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 3kr8 s THR 1154N 0.90 4.03 0.29 2.92 2.01 0.48 -1.17 115.64 125.09 3kr8 s THR 1154Ca 0.01 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 3kr8 s THR 1154Cb -0.14 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.65 3kr8 s THR 1154CO 0.02 0.53 0.74 -0.72 -0.69 0.00 0.00 174.62 174.50 3kr8 s TYR 1155N -0.02 -0.13 0.06 4.92 -0.85 0.62 -0.44 117.35 121.50 3kr8 s TYR 1155Ca 0.02 -0.36 0.08 0.00 -0.52 0.00 0.00 57.07 56.29 3kr8 s TYR 1155Cb -0.13 0.73 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 3kr8 s TYR 1155CO 0.02 -1.28 -0.23 -0.65 -1.52 0.00 0.00 175.55 171.90 3kr8 s GLN 1156N -3.60 1.46 0.28 -3.49 -0.21 -0.46 0.11 119.66 113.75 3kr8 s GLN 1156Ca 0.12 -1.05 -0.29 0.00 0.02 0.00 0.00 55.36 54.16 3kr8 s GLN 1156Cb -0.06 -1.65 -0.09 0.00 1.00 0.00 0.00 33.01 32.21 3kr8 s GLN 1156CO 0.08 0.42 1.03 0.96 -2.12 0.00 0.00 175.29 175.65 3kr8 s ILE 1157N -0.87 3.77 -0.18 1.08 -4.36 -1.26 -0.82 121.20 118.56 3kr8 s ILE 1157Ca 0.09 1.71 -0.08 0.00 -0.26 0.00 0.00 60.65 62.10 3kr8 s ILE 1157Cb -0.09 -4.05 -0.04 0.00 1.25 0.00 0.00 42.46 39.52 3kr8 s ILE 1157CO 0.03 0.35 0.10 -0.04 0.24 0.00 0.00 174.94 175.61 3kr8 s MET 1158N -1.53 3.99 0.11 0.37 -1.94 -0.96 -4.59 119.30 114.75 3kr8 s MET 1158Ca 0.45 -0.27 -0.31 0.00 -1.71 0.00 0.00 55.69 53.85 3kr8 s MET 1158Cb -0.28 -3.29 -0.09 0.00 2.01 0.00 0.00 34.83 33.19 3kr8 s MET 1158CO 0.35 0.34 1.58 0.50 -0.01 0.00 0.00 175.02 177.78 3kr8 s ARG 1159N 0.20 4.22 0.67 2.03 3.52 -1.26 -4.22 118.95 124.12 3kr8 s ARG 1159Ca 0.06 2.30 -0.16 0.00 -0.13 0.00 0.00 55.73 57.81 3kr8 s ARG 1159Cb -0.12 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3kr8 s ARG 1159CO -0.00 -0.64 1.15 -2.14 -0.81 0.00 0.00 175.30 172.86 3kr8 s PRO 1160N 1.80 2.62 0.00 5.12 0.02 -1.26 -5.00 135.00 138.30 3kr8 s PRO 1160Ca 0.71 1.57 0.29 0.00 0.02 0.00 0.00 61.00 63.59 3kr8 s PRO 1160Cb -0.41 -1.91 1.32 0.00 0.02 0.00 0.00 34.50 33.52 3kr8 s PRO 1160CO 0.31 -1.42 1.90 0.39 -0.33 0.00 0.00 177.00 177.85