#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg9 s HIS 963 N 0.00 2.82 0.51 -1.77 5.65 -1.26 -4.90 115.29 116.34 3kg9 s HIS 963 Ca 0.00 0.88 0.24 0.00 0.25 0.00 0.00 55.06 56.43 3kg9 s HIS 963 Cb 0.00 -3.99 1.49 0.00 -1.18 0.00 0.00 32.58 28.89 3kg9 s HIS 963 CO 0.00 -3.28 2.14 -1.35 -0.65 0.00 0.00 174.74 171.60 3kg9 h PRO 964 N 4.77 0.00 0.00 2.88 0.11 -1.95 -1.14 132.00 136.68 3kg9 h PRO 964 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 3kg9 h PRO 964 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3kg9 h PRO 964 CO 0.78 0.07 -2.18 1.28 -0.21 0.00 0.00 178.00 177.73 3kg9 n LEU 965 N -4.00 1.59 0.07 2.35 4.77 -1.26 -4.59 117.00 115.93 3kg9 n LEU 965 Ca -0.03 -0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 3kg9 n LEU 965 Cb 0.15 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 3kg9 n LEU 965 CO 0.31 0.65 0.01 0.25 -1.33 0.00 0.00 177.39 177.28 3kg9 h LEU 966 N 0.00 0.90 0.00 2.23 5.85 -1.91 -3.42 115.31 118.96 3kg9 h LEU 966 Ca -0.47 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.47 3kg9 h LEU 966 Cb 1.88 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3kg9 h LEU 966 CO -0.03 1.58 0.00 0.61 -0.34 0.00 0.00 178.44 180.26 3kg9 n GLY 967 N 1.23 0.17 3.83 3.75 0.00 -0.43 -3.47 105.19 110.27 3kg9 n GLY 967 Ca -0.12 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 3kg9 n GLY 967 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kg9 s GLU 968 N 0.00 4.06 -0.00 1.61 2.12 -0.19 -4.41 118.70 121.88 3kg9 s GLU 968 Ca 0.00 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 3kg9 s GLU 968 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 3kg9 s GLU 968 CO 0.00 0.57 1.09 0.21 -0.54 0.00 0.00 175.26 176.59 3kg9 s LYS 969 N -1.51 4.47 0.19 4.30 2.20 -1.26 -0.81 119.74 127.31 3kg9 s LYS 969 Ca 0.32 1.57 -0.20 0.00 -0.36 0.00 0.00 55.97 57.30 3kg9 s LYS 969 Cb -0.17 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 3kg9 s LYS 969 CO 0.18 -0.21 0.70 -0.51 -0.36 0.00 0.00 175.35 175.15 3kg9 s LEU 970 N 1.34 4.42 -0.30 5.43 1.43 0.45 -4.97 118.68 126.48 3kg9 s LEU 970 Ca 0.54 1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3kg9 s LEU 970 Cb -0.24 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3kg9 s LEU 970 CO 0.26 0.11 0.14 0.21 0.23 0.00 0.00 176.35 177.30 3kg9 s ASN 971 N -1.48 5.53 -0.06 2.29 2.47 -1.26 -4.54 114.94 117.89 3kg9 s ASN 971 Ca 0.39 -0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.28 3kg9 s ASN 971 Cb -0.18 -2.00 0.01 0.00 -1.45 0.00 0.00 41.25 37.63 3kg9 s ASN 971 CO 0.22 -0.15 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.58 3kg9 s LEU 972 N 1.63 1.60 0.65 3.21 1.43 -1.26 -5.14 118.68 120.80 3kg9 s LEU 972 Ca 0.05 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3kg9 s LEU 972 Cb -0.17 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3kg9 s LEU 972 CO 0.06 0.02 1.06 0.00 0.23 0.00 0.00 176.35 177.72 3kg9 s ALA 973 N 0.64 2.73 -1.33 4.21 0.00 -1.26 -4.19 121.76 122.56 3kg9 s ALA 973 Ca -0.12 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3kg9 s ALA 973 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3kg9 s ALA 973 CO 0.03 -1.02 0.00 -2.13 0.00 0.00 0.00 175.76 172.64 3kg9 n ARG 974 N -2.64 -1.96 -4.02 0.00 0.63 -1.26 -4.92 116.66 102.49 3kg9 n ARG 974 Ca 0.08 0.75 -0.31 0.00 -0.92 0.00 0.00 57.85 57.45 3kg9 n ARG 974 Cb 0.53 -5.32 -0.15 0.00 0.45 0.00 0.00 32.46 27.97 3kg9 n ARG 974 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kg9 s ILE 975 N -2.68 2.09 -0.08 5.15 -1.09 -1.26 -5.10 121.20 118.22 3kg9 s ILE 975 Ca 0.00 -1.85 -0.23 0.00 -2.23 0.00 0.00 60.65 56.34 3kg9 s ILE 975 Cb 0.00 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 3kg9 s ILE 975 CO 0.00 -0.28 0.67 -1.61 -1.23 0.00 0.00 174.94 172.49 3kg9 s GLU 976 N 1.08 4.41 -1.52 2.79 2.02 -1.26 -4.30 118.70 121.93 3kg9 s GLU 976 Ca -0.00 0.81 -0.05 0.00 0.02 0.00 0.00 54.97 55.75 3kg9 s GLU 976 Cb -0.19 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.60 3kg9 s GLU 976 CO -0.07 0.06 0.49 0.09 0.02 0.00 0.00 175.26 175.85 3kg9 n ASN 977 N 3.84 -5.61 -4.12 -0.19 5.03 -1.26 -4.94 115.26 108.01 3kg9 n ASN 977 Ca -0.02 -0.25 -0.15 0.00 0.87 0.00 0.00 54.58 55.03 3kg9 n ASN 977 Cb 0.51 -4.57 -0.12 0.00 -1.02 0.00 0.00 39.78 34.59 3kg9 n ASN 977 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kg9 s GLN 978 N -5.65 0.67 -0.03 3.52 -0.21 -1.26 -0.73 119.66 115.97 3kg9 s GLN 978 Ca 0.27 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.82 3kg9 s GLN 978 Cb -0.13 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.35 3kg9 s GLN 978 CO 0.34 0.11 -0.15 -1.01 -2.12 0.00 0.00 175.29 172.46 3kg9 s HIS 979 N -1.43 1.40 -0.09 0.91 3.76 0.78 -4.97 115.29 115.66 3kg9 s HIS 979 Ca -0.06 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 3kg9 s HIS 979 Cb -0.09 -0.94 -0.02 0.00 1.11 0.00 0.00 32.58 32.64 3kg9 s HIS 979 CO 0.01 -0.09 -0.13 -1.01 -0.85 0.00 0.00 174.74 172.67 3kg9 s HIS 980 N -0.08 2.78 0.24 1.40 3.76 -1.26 -0.02 115.29 122.10 3kg9 s HIS 980 Ca 0.00 -0.37 0.12 0.00 -0.15 0.00 0.00 55.06 54.66 3kg9 s HIS 980 Cb -0.09 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.81 3kg9 s HIS 980 CO 0.01 0.01 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.63 3kg9 s PHE 981 N -0.22 2.29 -0.08 1.40 0.08 0.11 -0.41 117.98 121.16 3kg9 s PHE 981 Ca 0.01 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 3kg9 s PHE 981 Cb -0.13 -1.06 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 3kg9 s PHE 981 CO 0.03 0.61 0.19 -1.14 -0.10 0.00 0.00 175.22 174.81 3kg9 s GLN 982 N -3.11 0.14 0.30 0.44 0.74 0.01 -1.59 119.66 116.60 3kg9 s GLN 982 Ca 0.25 0.42 0.02 0.00 0.05 0.00 0.00 55.36 56.11 3kg9 s GLN 982 Cb -0.06 -0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.86 3kg9 s GLN 982 CO 0.12 -0.15 0.09 -1.54 -0.55 0.00 0.00 175.29 173.26 3kg9 s SER 983 N 1.12 1.77 -0.06 6.67 1.04 0.17 -1.03 113.70 123.39 3kg9 s SER 983 Ca -0.08 -1.42 0.03 0.00 0.48 0.00 0.00 55.95 54.95 3kg9 s SER 983 Cb -0.10 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.15 3kg9 s SER 983 CO -0.06 -0.72 -0.13 -0.31 0.98 0.00 0.00 173.24 173.00 3kg9 s TYR 984 N -3.54 1.44 -0.04 5.02 2.02 -1.26 -0.68 117.35 120.31 3kg9 s TYR 984 Ca 0.36 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 3kg9 s TYR 984 Cb 0.07 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 3kg9 s TYR 984 CO 0.15 -0.25 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.13 3kg9 s LEU 985 N 0.54 2.05 0.26 -1.29 1.43 0.38 -4.82 118.68 117.23 3kg9 s LEU 985 Ca -0.12 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3kg9 s LEU 985 Cb -0.15 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3kg9 s LEU 985 CO 0.03 0.26 0.17 0.42 0.23 0.00 0.00 176.35 177.47 3kg9 s THR 986 N -0.34 0.12 -0.18 5.49 -4.23 -0.87 -0.67 115.64 114.96 3kg9 s THR 986 Ca 0.02 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.79 3kg9 s THR 986 Cb -0.12 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.48 3kg9 s THR 986 CO 0.01 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.88 3kg9 h ALA 987 N 2.39 1.00 -0.02 3.99 0.00 -1.86 -1.50 119.26 123.25 3kg9 h ALA 987 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kg9 h ALA 987 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kg9 h ALA 987 CO 0.49 0.00 -0.13 0.39 0.00 0.00 0.00 179.25 180.00 3kg9 n GLU 988 N -2.42 1.50 -3.30 0.00 1.02 -1.26 -3.26 120.64 112.92 3kg9 n GLU 988 Ca -0.00 -1.24 -0.10 0.00 -0.02 0.00 0.00 57.16 55.81 3kg9 n GLU 988 Cb 0.13 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3kg9 n GLU 988 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kg9 s SER 989 N -1.62 0.12 0.33 1.62 0.15 -0.56 -2.45 113.70 111.29 3kg9 s SER 989 Ca 0.17 -1.13 -0.28 0.00 0.70 0.00 0.00 55.95 55.41 3kg9 s SER 989 Cb 0.14 1.12 -0.10 0.00 -1.71 0.00 0.00 66.02 65.47 3kg9 s SER 989 CO 0.29 -0.24 1.22 -2.84 1.20 0.00 0.00 173.24 172.87 3kg9 s PRO 990 N 1.74 4.36 0.56 5.44 0.02 -1.26 -2.05 135.00 143.82 3kg9 s PRO 990 Ca 0.16 2.03 0.25 0.00 0.02 0.00 0.00 61.00 63.46 3kg9 s PRO 990 Cb -0.11 -3.02 1.59 0.00 0.02 0.00 0.00 34.50 32.98 3kg9 s PRO 990 CO -0.08 -0.12 2.17 0.00 -0.33 0.00 0.00 177.00 178.64 3kg9 h ALA 991 N 3.33 1.80 0.00 -1.55 0.00 -1.68 -1.79 119.26 119.37 3kg9 h ALA 991 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kg9 h ALA 991 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kg9 h ALA 991 CO 0.65 -0.11 -0.00 0.10 0.00 0.00 0.00 179.25 179.89 3kg9 h TYR 992 N 0.00 0.00 -0.61 0.00 -0.00 -1.90 -2.54 116.97 111.92 3kg9 h TYR 992 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.84 3kg9 h TYR 992 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.87 3kg9 h TYR 992 CO 0.00 0.00 0.41 -0.07 -0.00 0.00 0.00 178.16 178.50 3kg9 h LEU 993 N 0.00 0.50 -1.93 0.10 3.38 -1.54 0.08 115.31 115.89 3kg9 h LEU 993 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kg9 h LEU 993 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kg9 h LEU 993 CO 0.00 0.32 0.00 0.77 0.09 0.00 0.00 178.44 179.62 3kg9 h SER 994 N 0.56 0.00 -0.59 -0.43 4.64 -1.43 -2.29 113.55 114.01 3kg9 h SER 994 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3kg9 h SER 994 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kg9 h SER 994 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3kg9 n GLN 995 N -2.65 2.64 -3.85 4.77 6.02 0.01 -4.57 117.38 119.75 3kg9 n GLN 995 Ca -0.01 -2.50 -0.32 0.00 -0.01 0.00 0.00 57.00 54.15 3kg9 n GLN 995 Cb 0.10 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 29.70 3kg9 n GLN 995 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3kg9 s HIS 996 N -1.19 3.38 -0.08 1.08 2.46 -0.86 0.00 115.29 120.08 3kg9 s HIS 996 Ca 0.44 -3.07 0.02 0.00 0.47 0.00 0.00 55.06 52.92 3kg9 s HIS 996 Cb 0.24 -2.94 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 3kg9 s HIS 996 CO 0.32 -0.73 -0.12 -0.65 -2.47 0.00 0.00 174.74 171.09 3kg9 s GLN 997 N -0.56 2.85 -0.09 2.88 -0.21 -0.94 -2.37 119.66 121.21 3kg9 s GLN 997 Ca 0.19 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.93 3kg9 s GLN 997 Cb -0.19 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.33 3kg9 s GLN 997 CO -0.05 0.50 -0.10 0.08 -2.12 0.00 0.00 175.29 173.60 3kg9 s VAL 998 N -0.40 1.08 -1.58 1.09 1.01 0.16 -0.38 120.40 121.39 3kg9 s VAL 998 Ca 0.05 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3kg9 s VAL 998 Cb -0.12 -1.03 0.10 0.00 0.00 0.00 0.00 36.38 35.32 3kg9 s VAL 998 CO 0.02 0.36 0.76 0.49 0.00 0.00 0.00 175.10 176.73 3kg9 n PHE 999 N 4.29 -1.89 -0.95 5.22 3.72 0.49 -1.23 117.46 127.12 3kg9 n PHE 999 Ca -0.19 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 3kg9 n PHE 999 Cb 0.51 -3.47 0.00 0.00 -0.94 0.00 0.00 39.48 35.58 3kg9 n PHE 999 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3kg9 n ASN 1000N -2.79 -3.17 -4.68 4.37 3.02 -1.26 -5.01 115.26 105.75 3kg9 n ASN 1000Ca -0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.21 3kg9 n ASN 1000Cb 0.55 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.07 3kg9 n ASN 1000CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kg9 s LYS 1001N -0.73 2.63 -0.36 3.52 -0.14 -0.36 -5.06 119.74 119.24 3kg9 s LYS 1001Ca 0.00 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 53.57 3kg9 s LYS 1001Cb 0.00 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 3kg9 s LYS 1001CO 0.00 0.58 1.34 0.08 -0.76 0.00 0.00 175.35 176.58 3kg9 s VAL 1002N -1.20 4.04 -0.16 3.17 1.01 -1.26 -0.67 120.40 125.34 3kg9 s VAL 1002Ca 0.23 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 3kg9 s VAL 1002Cb -0.12 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3kg9 s VAL 1002CO 0.14 -0.64 -0.13 -0.22 0.00 0.00 0.00 175.10 174.25 3kg9 s LEU 1003N 4.85 2.63 0.13 3.92 2.96 -1.00 -0.80 118.68 131.36 3kg9 s LEU 1003Ca 0.58 -0.41 -0.32 0.00 -0.22 0.00 0.00 54.13 53.76 3kg9 s LEU 1003Cb -0.14 -1.61 -0.11 0.00 0.50 0.00 0.00 46.19 44.82 3kg9 s LEU 1003CO 0.28 0.09 1.79 0.33 -1.32 0.00 0.00 176.35 177.52 3kg9 n PHE 1004N 4.01 2.60 -2.32 5.38 7.35 0.16 -4.77 117.46 129.87 3kg9 n PHE 1004Ca -0.19 -0.06 -0.36 0.00 -0.76 0.00 0.00 57.45 56.09 3kg9 n PHE 1004Cb 0.52 -2.70 -0.01 0.00 0.35 0.00 0.00 39.48 37.64 3kg9 n PHE 1004CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kg9 s PRO 1005N 2.28 3.61 0.37 -7.13 0.04 -1.26 -4.68 135.00 128.23 3kg9 s PRO 1005Ca 0.81 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.57 3kg9 s PRO 1005Cb -0.52 -2.18 0.87 0.00 0.04 0.00 0.00 34.50 32.71 3kg9 s PRO 1005CO 0.37 -0.64 1.89 0.00 0.04 0.00 0.00 177.00 178.65 3kg9 h ALA 1006N 1.62 1.90 0.00 8.56 0.00 -1.94 0.10 119.26 129.50 3kg9 h ALA 1006Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kg9 h ALA 1006Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kg9 h ALA 1006CO 0.59 -0.12 0.00 1.79 0.00 0.00 0.00 179.25 181.51 3kg9 h THR 1007N 0.62 0.00 -0.77 0.00 1.35 -1.91 -1.23 112.91 110.98 3kg9 h THR 1007Ca 0.42 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.93 3kg9 h THR 1007Cb 0.72 1.28 -0.04 0.00 -1.73 0.00 0.00 68.15 68.38 3kg9 h THR 1007CO -0.18 0.00 0.43 1.23 -0.25 0.00 0.00 175.52 176.75 3kg9 h GLY 1008N 1.48 1.15 1.05 5.82 0.00 -1.10 -1.03 103.07 110.44 3kg9 h GLY 1008Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 3kg9 h GLY 1008CO 0.00 0.50 -0.18 -0.97 0.00 0.00 0.00 176.54 175.89 3kg9 h TYR 1009N 1.07 1.02 -0.77 5.60 0.05 -1.28 -1.14 116.97 121.52 3kg9 h TYR 1009Ca 0.27 -0.25 0.05 0.00 0.05 0.00 0.00 58.73 58.86 3kg9 h TYR 1009Cb 0.03 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3kg9 h TYR 1009CO 0.00 1.03 0.47 -0.07 -1.05 0.00 0.00 178.16 178.54 3kg9 h LEU 1010N 0.73 0.74 -0.43 3.88 3.38 -1.43 -1.61 115.31 120.57 3kg9 h LEU 1010Ca 0.10 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3kg9 h LEU 1010Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kg9 h LEU 1010CO 0.06 0.49 -0.26 -0.08 0.09 0.00 0.00 178.44 178.74 3kg9 h GLU 1011N 0.88 0.93 -0.57 1.13 4.57 -0.97 -0.44 114.58 120.11 3kg9 h GLU 1011Ca 0.33 -0.43 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3kg9 h GLU 1011Cb 0.11 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 3kg9 h GLU 1011CO -0.15 1.09 0.26 0.82 -1.18 0.00 0.00 179.01 179.85 3kg9 h ILE 1012N 0.76 0.89 -0.58 2.32 2.04 -0.92 0.74 117.51 122.77 3kg9 h ILE 1012Ca 0.09 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3kg9 h ILE 1012Cb 0.84 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3kg9 h ILE 1012CO 0.07 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.65 3kg9 h ALA 1013N 1.34 0.74 -0.93 1.87 0.00 -0.91 -0.45 119.26 120.91 3kg9 h ALA 1013Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kg9 h ALA 1013Cb 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3kg9 h ALA 1013CO -0.21 0.23 0.60 0.00 0.00 0.00 0.00 179.25 179.87 3kg9 h ALA 1014N 1.16 1.31 -0.47 0.00 0.00 -0.61 -0.97 119.26 119.68 3kg9 h ALA 1014Ca 0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kg9 h ALA 1014Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kg9 h ALA 1014CO -0.04 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.65 3kg9 h ALA 1015N 1.39 0.77 -0.00 0.00 0.00 -0.31 -1.22 119.26 119.89 3kg9 h ALA 1015Ca 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kg9 h ALA 1015Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3kg9 h ALA 1015CO -0.07 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.12 3kg9 h VAL 1016N 0.82 1.06 -0.58 0.00 2.07 -0.74 -1.31 116.25 117.56 3kg9 h VAL 1016Ca 0.11 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.58 3kg9 h VAL 1016Cb 0.75 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 3kg9 h VAL 1016CO 0.06 0.04 0.07 1.23 0.02 0.00 0.00 177.57 179.00 3kg9 h GLY 1017N -0.07 0.69 1.02 2.17 0.00 -1.00 0.66 103.07 106.54 3kg9 h GLY 1017Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3kg9 h GLY 1017CO -0.00 -0.14 0.52 1.70 0.00 0.00 0.00 176.54 178.62 3kg9 h LYS 1018N 0.19 1.19 -0.48 4.80 3.64 -1.05 0.75 116.57 125.61 3kg9 h LYS 1018Ca 0.30 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3kg9 h LYS 1018Cb 0.46 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3kg9 h LYS 1018CO -0.43 0.84 0.01 -0.97 -2.27 0.00 0.00 179.45 176.62 3kg9 h ASN 1019N 1.20 0.76 1.06 4.20 -0.73 -0.04 -3.11 115.58 118.92 3kg9 h ASN 1019Ca 0.31 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3kg9 h ASN 1019Cb -0.04 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.35 3kg9 h ASN 1019CO -0.06 0.82 -0.60 -0.07 -0.37 0.00 0.00 177.43 177.16 3kg9 h LEU 1020N 0.74 0.00 -9.87 0.34 3.38 -0.41 -3.48 115.31 106.00 3kg9 h LEU 1020Ca 0.15 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.47 3kg9 h LEU 1020Cb 0.44 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.26 3kg9 h LEU 1020CO 0.02 0.06 0.69 -0.22 0.09 0.00 0.00 178.44 179.08 3kg9 s LEU 1021N -4.72 4.39 -0.13 1.67 0.20 0.21 -5.03 118.68 115.27 3kg9 s LEU 1021Ca 0.05 2.77 -0.14 0.00 0.69 0.00 0.00 54.13 57.50 3kg9 s LEU 1021Cb 0.12 -3.65 -0.05 0.00 -0.43 0.00 0.00 46.19 42.18 3kg9 s LEU 1021CO 0.72 -0.64 0.32 -0.89 -0.29 0.00 0.00 176.35 175.57 3kg9 s THR 1022N -0.95 5.27 -0.22 3.68 2.01 -1.26 -5.02 115.64 119.15 3kg9 s THR 1022Ca 0.52 0.61 -0.42 0.00 0.31 0.00 0.00 61.69 62.71 3kg9 s THR 1022Cb -0.42 -3.65 -0.18 0.00 0.01 0.00 0.00 72.50 68.26 3kg9 s THR 1022CO 0.54 0.42 1.47 0.41 -0.69 0.00 0.00 174.62 176.77 3kg9 n THR 1023N 3.27 0.08 0.00 -0.82 -1.04 -1.26 -1.54 114.28 112.97 3kg9 n THR 1023Ca -0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3kg9 n THR 1023Cb 0.52 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 3kg9 n THR 1023CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kg9 n GLY 1024N 3.20 1.71 3.78 3.41 0.00 -1.26 -5.09 105.19 110.94 3kg9 n GLY 1024Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3kg9 n GLY 1024CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg9 s GLU 1025N -0.05 2.82 -0.23 1.61 2.02 -0.59 -5.05 118.70 119.23 3kg9 s GLU 1025Ca 0.00 1.27 -0.06 0.00 0.02 0.00 0.00 54.97 56.20 3kg9 s GLU 1025Cb 0.00 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 3kg9 s GLU 1025CO 0.00 -1.22 0.03 -1.14 0.02 0.00 0.00 175.26 172.96 3kg9 s GLN 1026N -4.32 3.60 0.01 1.61 2.00 -0.73 -4.95 119.66 116.88 3kg9 s GLN 1026Ca 0.64 -0.51 -0.30 0.00 -2.00 0.00 0.00 55.36 53.19 3kg9 s GLN 1026Cb -0.18 -3.21 -0.05 0.00 0.80 0.00 0.00 33.01 30.36 3kg9 s GLN 1026CO 0.44 -0.14 1.34 0.08 -0.50 0.00 0.00 175.29 176.51 3kg9 s VAL 1027N 1.43 3.82 -0.31 1.34 1.01 -1.26 -0.62 120.40 125.81 3kg9 s VAL 1027Ca 0.05 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3kg9 s VAL 1027Cb -0.15 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.52 3kg9 s VAL 1027CO 0.02 0.02 0.00 -0.69 0.00 0.00 0.00 175.10 174.45 3kg9 s VAL 1028N 2.10 2.72 -0.16 2.92 1.01 0.62 -4.50 120.40 125.10 3kg9 s VAL 1028Ca 0.62 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3kg9 s VAL 1028Cb -0.30 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kg9 s VAL 1028CO 0.26 -0.22 0.98 -0.69 0.00 0.00 0.00 175.10 175.44 3kg9 s VAL 1029N 1.15 4.77 0.03 2.92 1.01 -0.82 -0.73 120.40 128.73 3kg9 s VAL 1029Ca -0.03 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.92 3kg9 s VAL 1029Cb -0.20 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3kg9 s VAL 1029CO -0.03 -0.06 -0.04 -0.94 0.00 0.00 0.00 175.10 174.03 3kg9 s SER 1030N 1.15 0.47 -1.34 3.32 1.04 0.44 -0.16 113.70 118.62 3kg9 s SER 1030Ca 0.45 -0.61 -0.09 0.00 0.48 0.00 0.00 55.95 56.18 3kg9 s SER 1030Cb -0.17 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3kg9 s SER 1030CO 0.13 -0.33 0.49 0.47 0.98 0.00 0.00 173.24 174.98 3kg9 n ASP 1031N 1.26 -1.75 -4.74 7.02 8.00 -0.22 -0.28 116.55 125.84 3kg9 n ASP 1031Ca -0.22 -1.07 -0.39 0.00 0.71 0.00 0.00 54.79 53.83 3kg9 n ASP 1031Cb 0.56 -2.85 -0.05 0.00 -0.02 0.00 0.00 41.12 38.75 3kg9 n ASP 1031CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kg9 s VAL 1032N -3.84 5.05 -0.06 2.53 1.01 -0.41 -4.18 120.40 120.50 3kg9 s VAL 1032Ca 0.16 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.37 3kg9 s VAL 1032Cb -0.07 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3kg9 s VAL 1032CO 0.90 0.35 -0.20 -0.89 0.00 0.00 0.00 175.10 175.26 3kg9 s THR 1033N 0.34 1.66 -0.30 3.92 2.01 0.46 -1.29 115.64 122.44 3kg9 s THR 1033Ca 0.31 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 3kg9 s THR 1033Cb -0.17 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3kg9 s THR 1033CO 0.15 0.47 0.82 -0.63 -0.69 0.00 0.00 174.62 174.74 3kg9 s ILE 1034N 0.18 4.77 -0.15 1.82 1.09 0.11 -1.58 121.20 127.43 3kg9 s ILE 1034Ca -0.09 1.25 -0.10 0.00 -1.10 0.00 0.00 60.65 60.61 3kg9 s ILE 1034Cb -0.14 -4.17 -0.24 0.00 -1.06 0.00 0.00 42.46 36.85 3kg9 s ILE 1034CO 0.04 -0.26 0.27 0.52 -0.10 0.00 0.00 174.94 175.41 3kg9 n VAL 1035N 5.55 1.71 -3.65 2.92 0.31 0.23 -4.93 118.33 120.47 3kg9 n VAL 1035Ca 0.05 -0.51 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 3kg9 n VAL 1035Cb 0.48 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 3kg9 n VAL 1035CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3kg9 s ARG 1036N -2.51 0.72 0.66 5.55 3.52 -0.86 -5.00 118.95 121.02 3kg9 s ARG 1036Ca -0.25 1.00 -0.16 0.00 -0.13 0.00 0.00 55.73 56.19 3kg9 s ARG 1036Cb 0.07 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 3kg9 s ARG 1036CO 0.71 -0.11 1.18 0.20 -0.81 0.00 0.00 175.30 176.46 3kg9 s GLY 1037N 0.84 2.42 -0.35 8.12 0.00 -1.24 -4.45 107.32 112.65 3kg9 s GLY 1037Ca -0.04 0.82 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 3kg9 s GLY 1037CO -0.07 1.20 0.09 -2.27 0.00 0.00 0.00 173.10 172.06 3kg9 s LEU 1038N -4.70 4.62 -0.11 0.66 2.96 -1.26 -4.94 118.68 115.90 3kg9 s LEU 1038Ca 0.73 -1.75 -0.19 0.00 -0.22 0.00 0.00 54.13 52.70 3kg9 s LEU 1038Cb -0.27 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3kg9 s LEU 1038CO 0.40 -0.40 0.50 -0.69 -1.32 0.00 0.00 176.35 174.84 3kg9 s VAL 1039N 1.14 5.17 -0.47 1.68 1.01 -1.26 -0.66 120.40 127.01 3kg9 s VAL 1039Ca 0.03 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 3kg9 s VAL 1039Cb -0.21 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.39 3kg9 s VAL 1039CO -0.04 0.31 0.41 -0.63 0.00 0.00 0.00 175.10 175.16 3kg9 s ILE 1040N 0.66 5.19 0.77 2.22 1.01 0.02 -5.01 121.20 126.06 3kg9 s ILE 1040Ca 0.27 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 3kg9 s ILE 1040Cb -0.15 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.26 3kg9 s ILE 1040CO 0.11 -0.57 1.20 -2.84 0.00 0.00 0.00 174.94 172.84 3kg9 s PRO 1041N 1.78 1.93 0.29 2.79 0.02 -1.26 -4.30 135.00 136.25 3kg9 s PRO 1041Ca 0.06 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 3kg9 s PRO 1041Cb -0.23 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.35 3kg9 s PRO 1041CO 0.08 -1.99 1.39 0.39 -0.33 0.00 0.00 177.00 176.54 3kg9 n GLU 1042N -3.01 2.18 -0.64 5.54 4.71 -1.26 -1.51 120.64 126.65 3kg9 n GLU 1042Ca 0.13 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 58.05 3kg9 n GLU 1042Cb 0.50 -2.42 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 3kg9 n GLU 1042CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3kg9 n THR 1043N 1.28 0.00 -3.63 2.62 -2.24 -1.26 -4.99 114.28 106.07 3kg9 n THR 1043Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.61 3kg9 n THR 1043Cb 0.34 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 3kg9 n THR 1043CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kg9 s ASP 1044N -2.57 6.35 -0.16 3.42 2.15 -0.57 -5.09 116.67 120.21 3kg9 s ASP 1044Ca 0.00 0.38 -0.01 0.00 0.43 0.00 0.00 52.55 53.35 3kg9 s ASP 1044Cb 0.00 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.61 3kg9 s ASP 1044CO 0.00 -0.13 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.14 3kg9 s ILE 1045N -2.02 3.14 -0.17 4.11 1.01 -1.26 -4.57 121.20 121.44 3kg9 s ILE 1045Ca 0.38 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 3kg9 s ILE 1045Cb -0.10 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3kg9 s ILE 1045CO 0.31 0.49 0.21 -0.54 0.00 0.00 0.00 174.94 175.42 3kg9 s LYS 1046N 0.74 4.14 -0.14 2.79 -0.14 0.15 -4.43 119.74 122.86 3kg9 s LYS 1046Ca -0.04 -0.05 -0.17 0.00 -1.36 0.00 0.00 55.97 54.34 3kg9 s LYS 1046Cb -0.15 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 3kg9 s LYS 1046CO 0.02 0.33 0.45 0.99 -0.76 0.00 0.00 175.35 176.38 3kg9 s THR 1047N 0.23 5.20 -0.17 2.17 2.01 -0.12 -0.47 115.64 124.48 3kg9 s THR 1047Ca 0.13 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.02 3kg9 s THR 1047Cb -0.12 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.61 3kg9 s THR 1047CO 0.02 0.31 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.39 3kg9 s VAL 1048N 0.77 2.36 -0.11 3.82 1.01 0.14 -1.47 120.40 126.92 3kg9 s VAL 1048Ca 0.24 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kg9 s VAL 1048Cb -0.15 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kg9 s VAL 1048CO 0.09 0.52 -0.18 -1.10 0.00 0.00 0.00 175.10 174.44 3kg9 s GLN 1049N 1.05 3.22 -0.21 2.72 -0.21 -0.04 -0.65 119.66 125.53 3kg9 s GLN 1049Ca -0.01 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.54 3kg9 s GLN 1049Cb -0.14 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 3kg9 s GLN 1049CO -0.05 0.21 0.02 0.99 -2.12 0.00 0.00 175.29 174.34 3kg9 s THR 1050N 0.31 4.10 -0.19 -0.19 2.01 -0.62 -0.57 115.64 120.49 3kg9 s THR 1050Ca -0.14 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3kg9 s THR 1050Cb -0.17 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3kg9 s THR 1050CO 0.07 0.41 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 3kg9 s VAL 1051N 1.06 2.79 -0.14 3.82 1.01 0.06 -0.71 120.40 128.29 3kg9 s VAL 1051Ca 0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3kg9 s VAL 1051Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3kg9 s VAL 1051CO 0.02 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3kg9 s ILE 1052N 1.29 3.59 -0.13 2.22 -1.09 0.97 -1.70 121.20 126.35 3kg9 s ILE 1052Ca 0.04 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3kg9 s ILE 1052Cb -0.14 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 3kg9 s ILE 1052CO -0.06 0.51 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.55 3kg9 s SER 1053N 0.33 3.65 0.08 3.58 0.01 -0.18 -0.16 113.70 121.01 3kg9 s SER 1053Ca -0.06 -0.44 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 3kg9 s SER 1053Cb -0.15 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 3kg9 s SER 1053CO 0.04 0.13 1.27 -0.89 0.41 0.00 0.00 173.24 174.20 3kg9 s THR 1054N 0.54 3.76 0.54 1.44 2.01 0.09 -0.36 115.64 123.67 3kg9 s THR 1054Ca -0.10 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.17 3kg9 s THR 1054Cb -0.16 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3kg9 s THR 1054CO 0.04 0.09 0.12 -0.76 -0.69 0.00 0.00 174.62 173.43 3kg9 s LEU 1055N 1.13 2.31 -0.28 4.42 1.43 0.13 -4.91 118.68 122.91 3kg9 s LEU 1055Ca 0.61 -1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.08 3kg9 s LEU 1055Cb -0.32 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3kg9 s LEU 1055CO 0.29 -1.00 0.01 -1.61 0.23 0.00 0.00 176.35 174.27 3kg9 s GLU 1056N -4.03 2.84 0.12 1.70 8.01 -1.26 -4.08 118.70 122.00 3kg9 s GLU 1056Ca 0.10 -1.00 0.01 0.00 0.01 0.00 0.00 54.97 54.09 3kg9 s GLU 1056Cb -0.01 -3.19 -0.04 0.00 -4.31 0.00 0.00 34.13 26.58 3kg9 s GLU 1056CO 0.06 -0.47 -0.03 1.21 0.01 0.00 0.00 175.26 176.03 3kg9 s ASN 1057N 1.38 1.02 -1.46 -0.19 3.04 -1.26 -4.86 114.94 112.61 3kg9 s ASN 1057Ca -0.00 -1.07 0.00 0.00 0.04 0.00 0.00 52.86 51.83 3kg9 s ASN 1057Cb -0.18 0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.66 3kg9 s ASN 1057CO -0.01 -0.53 0.00 0.59 -3.04 0.00 0.00 177.10 174.11 3kg9 n ASN 1058N -0.08 -3.96 -4.32 -4.21 4.13 -1.26 -4.93 115.26 100.63 3kg9 n ASN 1058Ca -0.10 0.31 -0.31 0.00 1.68 0.00 0.00 54.58 56.15 3kg9 n ASN 1058Cb 0.62 -3.57 -0.16 0.00 -1.54 0.00 0.00 39.78 35.13 3kg9 n ASN 1058CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kg9 s SER 1059N -2.18 3.16 0.01 6.41 0.15 -1.26 -1.30 113.70 118.70 3kg9 s SER 1059Ca 0.00 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.22 3kg9 s SER 1059Cb 0.00 -0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 3kg9 s SER 1059CO 0.00 0.31 -0.06 -0.31 1.20 0.00 0.00 173.24 174.38 3kg9 s TYR 1060N -0.56 0.50 -0.01 3.44 1.51 0.05 0.17 117.35 122.45 3kg9 s TYR 1060Ca 0.08 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.80 3kg9 s TYR 1060Cb -0.11 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 3kg9 s TYR 1060CO -0.00 -0.03 0.37 0.21 -1.11 0.00 0.00 175.55 174.99 3kg9 s LYS 1061N -0.57 3.84 -0.04 -0.62 2.20 0.52 -0.70 119.74 124.37 3kg9 s LYS 1061Ca -0.02 0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.97 3kg9 s LYS 1061Cb -0.04 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3kg9 s LYS 1061CO -0.00 0.69 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.30 3kg9 s LEU 1062N -1.14 2.01 -0.02 5.43 0.20 0.22 -1.01 118.68 124.38 3kg9 s LEU 1062Ca 0.23 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.63 3kg9 s LEU 1062Cb -0.16 -1.17 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 3kg9 s LEU 1062CO 0.13 0.22 0.02 -1.61 -0.29 0.00 0.00 176.35 174.82 3kg9 s GLU 1063N -0.21 0.02 -0.18 1.98 2.02 -0.69 -1.19 118.70 120.46 3kg9 s GLU 1063Ca -0.00 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 3kg9 s GLU 1063Cb -0.11 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.90 3kg9 s GLU 1063CO 0.02 -0.12 -0.13 0.42 0.02 0.00 0.00 175.26 175.47 3kg9 s ILE 1064N 0.79 2.71 0.24 -1.63 1.01 -0.21 -0.76 121.20 123.36 3kg9 s ILE 1064Ca -0.07 -0.73 0.12 0.00 0.00 0.00 0.00 60.65 59.97 3kg9 s ILE 1064Cb -0.10 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3kg9 s ILE 1064CO -0.02 0.50 -0.21 -0.36 0.00 0.00 0.00 174.94 174.84 3kg9 s PHE 1065N 1.12 2.30 0.09 3.97 0.08 0.26 -0.32 117.98 125.49 3kg9 s PHE 1065Ca 0.01 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 3kg9 s PHE 1065Cb -0.14 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3kg9 s PHE 1065CO -0.04 0.63 0.03 -1.54 -0.10 0.00 0.00 175.22 174.20 3kg9 s SER 1066N -3.17 0.37 0.13 1.36 1.04 -0.32 -0.87 113.70 112.25 3kg9 s SER 1066Ca 0.26 -1.07 -0.15 0.00 0.48 0.00 0.00 55.95 55.47 3kg9 s SER 1066Cb -0.06 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3kg9 s SER 1066CO 0.13 -0.68 0.39 0.28 0.98 0.00 0.00 173.24 174.34 3kg9 s THR 1067N -3.98 0.07 -0.46 2.02 -1.32 -0.54 -0.65 115.64 110.79 3kg9 s THR 1067Ca 0.15 -0.68 -0.12 0.00 -1.21 0.00 0.00 61.69 59.84 3kg9 s THR 1067Cb 0.07 -1.25 0.09 0.00 -1.51 0.00 0.00 72.50 69.90 3kg9 s THR 1067CO -0.04 -0.32 0.34 -0.44 -2.21 0.00 0.00 174.62 171.94 3kg9 s SER 1068N -2.82 5.85 0.03 8.08 0.01 -1.26 -0.95 113.70 122.64 3kg9 s SER 1068Ca 0.04 -1.55 0.20 0.00 1.31 0.00 0.00 55.95 55.96 3kg9 s SER 1068Cb 0.02 -2.07 0.85 0.00 0.21 0.00 0.00 66.02 65.03 3kg9 s SER 1068CO -0.11 -0.63 1.64 -0.62 0.41 0.00 0.00 173.24 173.94 3kg9 n GLU 1069N 5.03 0.02 0.00 12.44 1.02 -1.26 -5.00 120.64 132.90 3kg9 n GLU 1069Ca -0.11 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3kg9 n GLU 1069Cb 0.42 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3kg9 n GLU 1069CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kg9 n GLY 1070N 0.53 1.35 0.00 0.62 0.00 -1.26 -5.19 105.19 101.25 3kg9 n GLY 1070Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kg9 n GLY 1070CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kg9 n ASN 1076N 0.42 0.00 -4.57 1.61 0.23 -1.26 -5.15 115.26 106.53 3kg9 n ASN 1076Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 3kg9 n ASN 1076Cb 0.30 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.89 3kg9 n ASN 1076CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3kg9 s GLN 1077N -1.32 3.91 -0.10 -3.83 -0.21 -1.26 -5.08 119.66 111.77 3kg9 s GLN 1077Ca 0.00 -0.35 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 3kg9 s GLN 1077Cb 0.00 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 3kg9 s GLN 1077CO 0.00 -0.09 0.20 -1.58 -2.12 0.00 0.00 175.29 171.71 3kg9 s TRP 1078N 1.44 3.61 -0.18 0.91 0.52 -1.26 -4.60 118.94 119.38 3kg9 s TRP 1078Ca 0.07 0.62 -0.04 0.00 0.02 0.00 0.00 56.10 56.76 3kg9 s TRP 1078Cb -0.15 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.10 3kg9 s TRP 1078CO 0.07 0.66 -0.02 0.99 0.02 0.00 0.00 176.95 178.67 3kg9 s THR 1079N -0.87 3.95 -0.08 2.01 2.01 0.18 -4.92 115.64 117.93 3kg9 s THR 1079Ca 0.16 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3kg9 s THR 1079Cb -0.13 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 3kg9 s THR 1079CO 0.06 0.46 1.05 -0.22 -0.69 0.00 0.00 174.62 175.28 3kg9 s LEU 1080N 0.67 4.27 -0.16 4.42 2.96 -1.26 -1.17 118.68 128.41 3kg9 s LEU 1080Ca -0.01 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.57 3kg9 s LEU 1080Cb -0.14 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 3kg9 s LEU 1080CO 0.02 -0.46 -0.09 1.41 -1.32 0.00 0.00 176.35 175.91 3kg9 n HIS 1081N 4.91 0.00 -3.69 5.38 8.25 0.56 -4.12 115.22 126.51 3kg9 n HIS 1081Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.40 3kg9 n HIS 1081Cb 0.48 -0.66 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 3kg9 n HIS 1081CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg9 s ALA 1082N -2.34 -1.08 0.03 -1.41 0.00 -1.20 0.78 121.76 116.54 3kg9 s ALA 1082Ca -0.18 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3kg9 s ALA 1082Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3kg9 s ALA 1082CO 0.44 -0.28 -0.05 -1.83 0.00 0.00 0.00 175.76 174.03 3kg9 s GLU 1083N -1.10 0.42 0.00 0.00 -1.05 -0.62 -1.05 118.70 115.30 3kg9 s GLU 1083Ca -0.11 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 3kg9 s GLU 1083Cb -0.04 -0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.53 3kg9 s GLU 1083CO 0.05 0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.68 3kg9 n GLY 1084N 1.63 1.76 3.17 -3.83 0.00 -0.33 -0.40 105.19 107.19 3kg9 n GLY 1084Ca -0.23 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 3kg9 n GLY 1084CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg9 s LYS 1085N -0.32 0.82 -0.16 1.61 1.02 0.61 -0.61 119.74 122.71 3kg9 s LYS 1085Ca 0.00 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 54.93 3kg9 s LYS 1085Cb 0.00 -0.64 0.03 0.00 -0.52 0.00 0.00 37.83 36.70 3kg9 s LYS 1085CO 0.00 0.12 -0.14 0.42 -0.92 0.00 0.00 175.35 174.83 3kg9 s ILE 1086N -1.93 1.65 -0.16 2.17 1.01 0.12 -0.42 121.20 123.64 3kg9 s ILE 1086Ca 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3kg9 s ILE 1086Cb -0.06 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3kg9 s ILE 1086CO 0.01 0.42 0.02 -0.36 0.00 0.00 0.00 174.94 175.03 3kg9 s PHE 1087N 1.44 3.17 -0.64 3.97 0.08 0.09 -0.77 117.98 125.32 3kg9 s PHE 1087Ca 0.04 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.94 3kg9 s PHE 1087Cb -0.13 -1.99 0.16 0.00 -0.57 0.00 0.00 43.02 40.49 3kg9 s PHE 1087CO -0.11 0.16 0.57 -0.51 -0.10 0.00 0.00 175.22 175.23 3kg9 s LEU 1088N 0.13 6.26 0.00 -0.37 1.43 -0.42 -0.28 118.68 125.44 3kg9 s LEU 1088Ca 0.02 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 50.91 3kg9 s LEU 1088Cb -0.13 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3kg9 s LEU 1088CO 0.01 -0.70 0.00 -0.67 0.23 0.00 0.00 176.35 175.23 3kg9 n ASP 1089N 4.61 0.00 0.00 2.29 2.03 0.21 -4.85 116.55 120.84 3kg9 n ASP 1089Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3kg9 n ASP 1089Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3kg9 n ASP 1089CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kg9 n LYS 1095N 0.00 0.00 -1.61 -0.67 4.76 -1.26 -1.78 118.16 117.60 3kg9 n LYS 1095Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3kg9 n LYS 1095Cb 0.00 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 3kg9 n LYS 1095CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kg9 s ALA 1096N -0.64 2.27 0.64 7.82 0.00 -1.26 -4.80 121.76 125.80 3kg9 s ALA 1096Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3kg9 s ALA 1096Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3kg9 s ALA 1096CO 0.00 -1.63 1.20 0.15 0.00 0.00 0.00 175.76 175.49 3kg9 s LYS 1097N -3.80 2.68 0.19 0.00 1.02 -1.26 -4.61 119.74 113.96 3kg9 s LYS 1097Ca 0.74 1.77 -0.12 0.00 0.02 0.00 0.00 55.97 58.38 3kg9 s LYS 1097Cb -0.28 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 3kg9 s LYS 1097CO 0.42 -1.42 0.56 0.42 -0.92 0.00 0.00 175.35 174.41 3kg9 s ILE 1098N -1.78 4.88 -1.30 2.17 -1.09 0.68 -5.00 121.20 119.77 3kg9 s ILE 1098Ca 0.76 0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 59.69 3kg9 s ILE 1098Cb -0.29 -3.68 0.09 0.00 -1.58 0.00 0.00 42.46 37.00 3kg9 s ILE 1098CO 0.38 0.09 1.74 -0.67 -1.23 0.00 0.00 174.94 175.25 3kg9 n ASP 1099N 0.34 4.89 -0.35 3.58 -0.08 -1.26 -4.54 116.55 119.13 3kg9 n ASP 1099Ca -0.02 -2.93 -0.02 0.00 -1.51 0.00 0.00 54.79 50.31 3kg9 n ASP 1099Cb 0.52 -1.71 0.12 0.00 2.34 0.00 0.00 41.12 42.39 3kg9 n ASP 1099CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3kg9 h LEU 1100N 11.75 1.12 -0.66 -2.67 5.85 -1.89 -2.28 115.31 126.52 3kg9 h LEU 1100Ca 0.44 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.18 3kg9 h LEU 1100Cb 0.84 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3kg9 h LEU 1100CO 1.47 0.84 0.35 -0.08 -0.34 0.00 0.00 178.44 180.68 3kg9 h GLU 1101N 1.30 0.62 -0.47 1.25 4.81 -1.96 -0.03 114.58 120.11 3kg9 h GLU 1101Ca 0.34 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3kg9 h GLU 1101Cb -0.10 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3kg9 h GLU 1101CO -0.07 0.41 0.26 0.37 -0.73 0.00 0.00 179.01 179.25 3kg9 h GLN 1102N 0.64 0.65 -0.56 1.92 5.75 -1.83 -0.12 115.11 121.57 3kg9 h GLN 1102Ca 0.31 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.69 3kg9 h GLN 1102Cb 0.23 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3kg9 h GLN 1102CO -0.20 0.51 0.19 1.88 -2.65 0.00 0.00 178.83 178.56 3kg9 h TYR 1103N 0.62 0.84 -0.57 3.99 0.05 -1.06 -0.09 116.97 120.75 3kg9 h TYR 1103Ca 0.17 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 3kg9 h TYR 1103Cb 0.05 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 3kg9 h TYR 1103CO -0.02 0.68 0.06 1.96 -1.05 0.00 0.00 178.16 179.79 3kg9 h GLN 1104N 0.81 0.97 -0.85 4.88 4.20 -0.68 0.43 115.11 124.87 3kg9 h GLN 1104Ca 0.19 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3kg9 h GLN 1104Cb 0.22 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3kg9 h GLN 1104CO -0.01 0.94 0.48 -0.09 -0.67 0.00 0.00 178.83 179.48 3kg9 h ARG 1105N 0.86 1.17 0.00 1.46 2.43 -0.52 -3.24 114.38 116.55 3kg9 h ARG 1105Ca 0.17 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3kg9 h ARG 1105Cb 0.46 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3kg9 h ARG 1105CO 0.02 0.85 -0.75 0.93 -1.51 0.00 0.00 179.97 179.50 3kg9 h GLU 1106N 1.17 0.00 -3.76 0.20 5.08 -0.67 -3.38 114.58 113.22 3kg9 h GLU 1106Ca 0.30 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.87 3kg9 h GLU 1106Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3kg9 h GLU 1106CO -0.05 0.43 0.49 0.00 -1.00 0.00 0.00 179.01 178.87 3kg9 n SER 1108N 3.30 1.46 -4.58 0.00 3.41 -1.01 -4.38 113.62 111.82 3kg9 n SER 1108Ca 0.23 -1.23 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 3kg9 n SER 1108Cb 0.41 0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 65.02 3kg9 n SER 1108CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3kg9 s GLN 1109N -2.57 3.80 0.16 4.33 0.74 -0.68 -4.92 119.66 120.52 3kg9 s GLN 1109Ca 0.13 0.15 -0.30 0.00 0.05 0.00 0.00 55.36 55.38 3kg9 s GLN 1109Cb 0.16 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.44 3kg9 s GLN 1109CO 0.66 -0.61 1.18 0.08 -0.55 0.00 0.00 175.29 176.05 3kg9 s VAL 1110N 2.57 3.71 -0.18 1.34 1.01 -1.26 0.11 120.40 127.70 3kg9 s VAL 1110Ca 0.23 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 3kg9 s VAL 1110Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3kg9 s VAL 1110CO 0.13 0.20 0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3kg9 s ILE 1111N 0.15 4.72 -0.31 2.22 -1.09 -0.03 -4.91 121.20 121.94 3kg9 s ILE 1111Ca 0.54 -0.06 -0.28 0.00 -2.23 0.00 0.00 60.65 58.61 3kg9 s ILE 1111Cb -0.32 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 3kg9 s ILE 1111CO 0.35 0.47 1.84 -0.62 -1.23 0.00 0.00 174.94 175.75 3kg9 s ASP 1112N 0.31 5.86 0.18 3.58 -1.08 -1.26 -4.49 116.67 119.77 3kg9 s ASP 1112Ca 0.03 1.39 -0.10 0.00 -0.52 0.00 0.00 52.55 53.35 3kg9 s ASP 1112Cb -0.12 -2.52 0.06 0.00 -1.46 0.00 0.00 42.92 38.87 3kg9 s ASP 1112CO 0.00 -1.72 1.64 0.40 0.52 0.00 0.00 175.17 176.01 3kg9 h ILE 1113N 6.83 1.27 -0.81 4.11 2.04 -1.97 -0.89 117.51 128.09 3kg9 h ILE 1113Ca -0.35 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.45 3kg9 h ILE 1113Cb 1.18 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3kg9 h ILE 1113CO 1.02 0.41 0.48 1.56 0.00 0.00 0.00 178.15 181.63 3kg9 h GLN 1114N 0.95 0.83 -0.45 2.37 7.50 -1.98 -1.52 115.11 122.80 3kg9 h GLN 1114Ca 0.17 -0.05 -0.14 0.00 0.50 0.00 0.00 58.65 59.13 3kg9 h GLN 1114Cb 0.55 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.88 3kg9 h GLN 1114CO 0.03 0.55 -0.25 0.37 -1.50 0.00 0.00 178.83 178.03 3kg9 h GLN 1115N 0.85 0.96 -0.36 1.46 4.15 -1.89 -1.55 115.11 118.74 3kg9 h GLN 1115Ca 0.37 -0.42 0.07 0.00 0.77 0.00 0.00 58.65 59.44 3kg9 h GLN 1115Cb 0.24 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 3kg9 h GLN 1115CO -0.20 1.09 -0.11 1.25 -1.93 0.00 0.00 178.83 178.93 3kg9 h HIS 1116N 0.82 -0.25 -0.11 3.99 2.76 -0.42 0.26 115.15 122.19 3kg9 h HIS 1116Ca 0.10 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 3kg9 h HIS 1116Cb 0.83 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 3kg9 h HIS 1116CO 0.05 -0.18 -0.50 1.88 -1.30 0.00 0.00 177.93 177.88 3kg9 h TYR 1117N -0.03 0.36 -0.52 5.26 0.05 -1.20 -2.61 116.97 118.28 3kg9 h TYR 1117Ca 0.17 -0.12 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3kg9 h TYR 1117Cb 0.30 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3kg9 h TYR 1117CO -0.34 0.74 -0.06 0.37 -1.05 0.00 0.00 178.16 177.82 3kg9 h GLN 1118N 0.23 0.93 -0.39 4.88 5.75 -0.62 -1.32 115.11 124.57 3kg9 h GLN 1118Ca 0.01 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 3kg9 h GLN 1118Cb 0.97 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 3kg9 h GLN 1118CO 0.08 0.96 0.07 1.96 -2.65 0.00 0.00 178.83 179.25 3kg9 h GLN 1119N 0.85 0.64 -0.37 1.69 4.20 -0.33 -0.66 115.11 121.14 3kg9 h GLN 1119Ca 0.15 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kg9 h GLN 1119Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3kg9 h GLN 1119CO 0.04 0.69 0.22 0.74 -0.67 0.00 0.00 178.83 179.85 3kg9 h PHE 1120N 0.49 0.41 -0.95 2.96 0.04 -1.33 -2.53 116.94 116.04 3kg9 h PHE 1120Ca 0.12 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.94 3kg9 h PHE 1120Cb 0.36 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 3kg9 h PHE 1120CO 0.02 0.25 0.63 -0.22 -0.60 0.00 0.00 178.31 178.39 3kg9 h LYS 1121N 0.45 1.17 0.00 1.51 3.64 -0.53 0.11 116.57 122.92 3kg9 h LYS 1121Ca 0.14 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3kg9 h LYS 1121Cb -0.01 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3kg9 h LYS 1121CO -0.06 0.78 -0.09 0.77 -2.27 0.00 0.00 179.45 178.58 3kg9 h SER 1122N 1.21 0.00 0.08 4.20 0.02 -0.87 -1.81 113.55 116.37 3kg9 h SER 1122Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3kg9 h SER 1122Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kg9 h SER 1122CO -0.11 0.09 -0.10 0.54 -1.14 0.00 0.00 176.83 176.11 3kg9 n ARG 1123N -3.53 1.39 -0.05 3.45 1.74 -0.14 -4.93 116.66 114.59 3kg9 n ARG 1123Ca -0.02 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 3kg9 n ARG 1123Cb 0.22 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3kg9 n ARG 1123CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kg9 n GLY 1124N 1.25 0.78 3.34 -0.13 0.00 -0.68 -4.43 105.19 105.31 3kg9 n GLY 1124Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3kg9 n GLY 1124CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg9 s ILE 1125N -2.04 4.17 -0.55 -0.61 1.01 -0.23 -0.38 121.20 122.57 3kg9 s ILE 1125Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3kg9 s ILE 1125Cb 0.00 -3.29 0.14 0.00 0.01 0.00 0.00 42.46 39.32 3kg9 s ILE 1125CO 0.00 -0.13 0.44 -1.81 0.00 0.00 0.00 174.94 173.44 3kg9 s ASP 1126N 1.49 5.87 -0.37 3.58 1.01 0.49 -1.91 116.67 126.84 3kg9 s ASP 1126Ca 0.01 -2.11 -0.26 0.00 0.71 0.00 0.00 52.55 50.90 3kg9 s ASP 1126Cb -0.19 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.71 3kg9 s ASP 1126CO 0.04 -0.67 0.92 -0.31 0.21 0.00 0.00 175.17 175.37 3kg9 s TYR 1127N 1.07 3.08 0.46 4.23 2.02 -1.26 -2.22 117.35 124.72 3kg9 s TYR 1127Ca 0.08 0.76 -0.08 0.00 -0.37 0.00 0.00 57.07 57.47 3kg9 s TYR 1127Cb -0.24 -3.64 0.11 0.00 -0.40 0.00 0.00 41.96 37.79 3kg9 s TYR 1127CO -0.02 -0.82 0.55 0.41 -1.57 0.00 0.00 175.55 174.10 3kg9 n GLY 1128N 4.39 -1.65 0.27 0.71 0.00 0.10 -4.75 105.19 104.26 3kg9 n GLY 1128Ca 0.07 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.51 3kg9 n GLY 1128CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kg9 h ASN 1129N -1.03 0.22 0.11 1.61 -1.24 -1.97 -0.79 115.58 112.48 3kg9 h ASN 1129Ca -0.18 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 3kg9 h ASN 1129Cb 0.52 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.68 3kg9 h ASN 1129CO 0.13 0.07 -0.06 0.28 -1.29 0.00 0.00 177.43 176.56 3kg9 h SER 1130N 0.40 0.00 -0.67 1.15 0.02 -1.92 -2.18 113.55 110.34 3kg9 h SER 1130Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3kg9 h SER 1130Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3kg9 h SER 1130CO -0.42 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 175.82 3kg9 n PHE 1131N -4.09 1.22 -1.83 3.45 3.01 -0.32 -4.43 117.46 114.48 3kg9 n PHE 1131Ca -0.03 -0.53 -0.34 0.00 1.01 0.00 0.00 57.45 57.56 3kg9 n PHE 1131Cb 0.15 -0.13 0.04 0.00 -0.01 0.00 0.00 39.48 39.53 3kg9 n PHE 1131CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3kg9 n GLN 1132N 1.33 2.96 0.00 -1.08 6.02 -0.82 -4.74 117.38 121.05 3kg9 n GLN 1132Ca 0.25 -3.69 0.12 0.00 -0.01 0.00 0.00 57.00 53.66 3kg9 n GLN 1132Cb 0.74 -2.27 0.69 0.00 1.02 0.00 0.00 30.24 30.42 3kg9 n GLN 1132CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg9 n GLY 1133N -0.68 -0.79 3.66 1.08 0.00 -1.26 -4.78 105.19 102.41 3kg9 n GLY 1133Ca 0.53 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 3kg9 n GLY 1133CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg9 s ILE 1134N -2.09 4.58 -0.19 -0.61 1.01 -1.26 -0.82 121.20 121.81 3kg9 s ILE 1134Ca 0.33 1.89 0.16 0.00 0.00 0.00 0.00 60.65 63.03 3kg9 s ILE 1134Cb 0.16 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 3kg9 s ILE 1134CO 0.29 -0.23 0.10 0.29 0.00 0.00 0.00 174.94 175.38 3kg9 n LYS 1135N 6.48 0.68 -3.82 2.79 4.76 0.13 -4.97 118.16 124.21 3kg9 n LYS 1135Ca 0.12 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 3kg9 n LYS 1135Cb 0.46 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 3kg9 n LYS 1135CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3kg9 s GLN 1136N -2.50 0.35 -0.08 1.97 -0.21 -1.14 -4.98 119.66 113.07 3kg9 s GLN 1136Ca -0.12 0.04 -0.04 0.00 0.02 0.00 0.00 55.36 55.26 3kg9 s GLN 1136Cb 0.06 0.16 0.04 0.00 1.00 0.00 0.00 33.01 34.28 3kg9 s GLN 1136CO 0.81 -0.07 0.18 -1.17 -2.12 0.00 0.00 175.29 172.92 3kg9 s LEU 1137N -0.47 0.43 0.05 2.90 2.96 -1.26 -0.87 118.68 122.42 3kg9 s LEU 1137Ca -0.06 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 3kg9 s LEU 1137Cb -0.04 0.45 -0.03 0.00 0.50 0.00 0.00 46.19 47.08 3kg9 s LEU 1137CO 0.01 -0.18 -0.11 0.26 -1.32 0.00 0.00 176.35 175.01 3kg9 s TRP 1138N 1.49 0.96 -0.00 5.38 0.52 0.18 -0.85 118.94 126.62 3kg9 s TRP 1138Ca -0.06 -0.45 0.07 0.00 0.02 0.00 0.00 56.10 55.67 3kg9 s TRP 1138Cb -0.11 -0.56 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 3kg9 s TRP 1138CO -0.07 -0.01 -0.22 0.21 0.02 0.00 0.00 176.95 176.89 3kg9 s LYS 1139N -1.57 1.68 0.00 4.98 2.20 0.12 -0.61 119.74 126.54 3kg9 s LYS 1139Ca -0.05 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 3kg9 s LYS 1139Cb -0.10 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 3kg9 s LYS 1139CO 0.01 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 3kg9 n GLY 1140N 2.40 6.26 3.60 5.54 0.00 0.61 -1.68 105.19 121.91 3kg9 n GLY 1140Ca -0.16 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 3kg9 n GLY 1140CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kg9 s GLN 1141N 0.13 3.81 -1.11 1.61 2.00 -1.26 -3.82 119.66 121.02 3kg9 s GLN 1141Ca 0.00 0.53 0.00 0.00 -2.00 0.00 0.00 55.36 53.89 3kg9 s GLN 1141Cb 0.00 -3.82 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3kg9 s GLN 1141CO 0.00 -0.98 0.00 0.41 -0.50 0.00 0.00 175.29 174.22 3kg9 n GLY 1142N 4.45 1.15 3.39 2.59 0.00 -1.25 -4.96 105.19 110.55 3kg9 n GLY 1142Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3kg9 n GLY 1142CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg9 s LYS 1143N -2.74 1.15 0.08 1.61 -2.85 -1.22 -1.96 119.74 113.81 3kg9 s LYS 1143Ca 0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 55.97 54.48 3kg9 s LYS 1143Cb 0.00 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 3kg9 s LYS 1143CO 0.00 -0.46 0.12 0.00 0.10 0.00 0.00 175.35 175.11 3kg9 s ALA 1144N -3.26 0.02 -0.04 0.59 0.00 -0.14 -0.28 121.76 118.65 3kg9 s ALA 1144Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3kg9 s ALA 1144Cb -0.00 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.57 3kg9 s ALA 1144CO -0.08 -0.47 0.03 -1.17 0.00 0.00 0.00 175.76 174.07 3kg9 s LEU 1145N -2.88 0.58 -0.02 0.00 2.96 0.22 -0.94 118.68 118.59 3kg9 s LEU 1145Ca 0.06 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 3kg9 s LEU 1145Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 3kg9 s LEU 1145CO -0.10 -0.19 -0.22 -0.83 -1.32 0.00 0.00 176.35 173.69 3kg9 s GLY 1146N 1.73 1.08 -0.29 7.98 0.00 -0.37 -0.65 107.32 116.80 3kg9 s GLY 1146Ca -0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 3kg9 s GLY 1146CO -0.03 -0.75 0.42 1.25 0.00 0.00 0.00 173.10 173.99 3kg9 s LYS 1147N -0.46 3.93 -0.03 2.90 2.20 -0.05 -0.20 119.74 128.02 3kg9 s LYS 1147Ca 0.07 0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 3kg9 s LYS 1147Cb -0.09 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 3kg9 s LYS 1147CO -0.00 -0.36 -0.20 0.42 -0.36 0.00 0.00 175.35 174.84 3kg9 s ILE 1148N 2.16 1.60 0.01 5.43 1.01 0.02 0.17 121.20 131.59 3kg9 s ILE 1148Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3kg9 s ILE 1148Cb -0.16 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3kg9 s ILE 1148CO 0.10 0.45 -0.04 0.00 0.00 0.00 0.00 174.94 175.45 3kg9 s ALA 1149N -0.20 0.33 0.04 9.38 0.00 -0.00 -0.82 121.76 130.48 3kg9 s ALA 1149Ca 0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 51.96 51.27 3kg9 s ALA 1149Cb -0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.89 3kg9 s ALA 1149CO 0.01 0.01 1.82 1.28 0.00 0.00 0.00 175.76 178.89 3kg9 n LEU 1150N 2.40 3.64 -4.59 0.00 4.77 -0.11 -4.41 117.00 118.70 3kg9 n LEU 1150Ca -0.17 0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 56.45 3kg9 n LEU 1150Cb 0.57 -1.45 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 3kg9 n LEU 1150CO 0.24 -0.00 0.46 -2.65 -1.33 0.00 0.00 177.39 174.11 3kg9 n PRO 1151N 5.84 0.37 -0.31 3.23 -0.02 -1.26 -4.54 135.00 138.31 3kg9 n PRO 1151Ca 0.20 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3kg9 n PRO 1151Cb 0.33 -2.18 0.36 0.00 -0.02 0.00 0.00 33.50 31.99 3kg9 n PRO 1151CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kg9 h GLU 1152N -0.47 0.70 0.00 -0.52 4.11 -1.95 -1.25 114.58 115.20 3kg9 h GLU 1152Ca -0.47 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.89 3kg9 h GLU 1152Cb 1.33 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kg9 h GLU 1152CO 0.45 0.46 -0.15 1.05 0.07 0.00 0.00 179.01 180.89 3kg9 h GLU 1153N 0.72 0.00 -0.03 1.06 4.11 -1.98 -3.09 114.58 115.37 3kg9 h GLU 1153Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 3kg9 h GLU 1153Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3kg9 h GLU 1153CO -0.26 0.15 0.00 0.44 0.07 0.00 0.00 179.01 179.41 3kg9 n ILE 1154N -3.72 0.42 -0.26 -1.06 -5.35 -0.65 -4.72 119.36 104.01 3kg9 n ILE 1154Ca -0.02 -0.71 0.09 0.00 -0.27 0.00 0.00 62.75 61.84 3kg9 n ILE 1154Cb 0.26 0.81 0.34 0.00 -1.74 0.00 0.00 39.64 39.32 3kg9 n ILE 1154CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kg9 h ALA 1155N 0.35 1.74 0.00 -1.28 0.00 -1.18 -0.54 119.26 118.35 3kg9 h ALA 1155Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kg9 h ALA 1155Cb 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kg9 h ALA 1155CO 0.00 0.07 -0.01 0.78 0.00 0.00 0.00 179.25 180.09 3kg9 h GLY 1156N 0.77 0.00 1.79 0.00 0.00 -1.85 -2.77 103.07 101.02 3kg9 h GLY 1156Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3kg9 h GLY 1156CO -0.17 0.00 -0.02 -1.06 0.00 0.00 0.00 176.54 175.29 3kg9 n GLN 1157N -3.15 0.17 0.11 4.80 6.02 -0.21 -3.81 117.38 121.30 3kg9 n GLN 1157Ca -0.02 -0.01 0.17 0.00 -0.01 0.00 0.00 57.00 57.13 3kg9 n GLN 1157Cb 0.12 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.59 3kg9 n GLN 1157CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kg9 h ALA 1158N 3.16 2.23 0.00 -1.58 0.00 -1.64 0.12 119.26 121.57 3kg9 h ALA 1158Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kg9 h ALA 1158Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kg9 h ALA 1158CO 0.00 -0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.07 3kg9 n THR 1159N -4.29 0.73 0.80 0.00 -2.24 -1.25 -3.08 114.28 104.96 3kg9 n THR 1159Ca 0.05 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 3kg9 n THR 1159Cb 0.43 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.76 3kg9 n THR 1159CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kg9 n ASP 1160N -2.26 0.68 -4.38 3.42 8.00 0.42 -4.98 116.55 117.45 3kg9 n ASP 1160Ca 0.03 -0.46 -0.20 0.00 0.71 0.00 0.00 54.79 54.88 3kg9 n ASP 1160Cb 0.31 0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 42.06 3kg9 n ASP 1160CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kg9 s TYR 1161N -3.09 1.86 -0.01 1.24 1.51 -1.18 -4.70 117.35 112.98 3kg9 s TYR 1161Ca 0.07 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3kg9 s TYR 1161Cb 0.16 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 3kg9 s TYR 1161CO 0.80 0.41 0.26 1.96 -1.11 0.00 0.00 175.55 177.87 3kg9 h GLN 1162N 2.45 -0.06 -4.51 -0.62 1.08 -1.91 -3.42 115.11 108.12 3kg9 h GLN 1162Ca -0.39 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.21 3kg9 h GLN 1162Cb 1.23 0.01 -0.37 0.00 -0.05 0.00 0.00 27.48 28.30 3kg9 h GLN 1162CO 0.63 -0.04 -0.81 -0.51 -0.95 0.00 0.00 178.83 177.15 3kg9 s LEU 1163N -4.89 2.21 0.06 1.46 1.43 -1.26 -4.53 118.68 113.15 3kg9 s LEU 1163Ca -0.01 -0.88 -0.36 0.00 -1.03 0.00 0.00 54.13 51.86 3kg9 s LEU 1163Cb 0.00 -1.19 -0.15 0.00 0.03 0.00 0.00 46.19 44.88 3kg9 s LEU 1163CO 0.03 -0.16 1.51 1.57 0.23 0.00 0.00 176.35 179.53 3kg9 n HIS 1164N 4.71 1.90 -0.31 0.29 -0.00 -1.26 -4.79 115.22 115.76 3kg9 n HIS 1164Ca -0.14 0.45 0.23 0.00 -0.00 0.00 0.00 57.72 58.26 3kg9 n HIS 1164Cb 0.47 -2.45 0.53 0.00 -0.00 0.00 0.00 29.99 28.54 3kg9 n HIS 1164CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kg9 h PRO 1165N 5.69 0.35 -0.02 1.57 0.11 -1.98 -0.84 132.00 136.89 3kg9 h PRO 1165Ca -0.47 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 3kg9 h PRO 1165Cb 1.30 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3kg9 h PRO 1165CO 0.85 0.23 -0.71 0.00 -0.21 0.00 0.00 178.00 178.16 3kg9 h ALA 1166N 1.60 0.78 0.01 -0.75 0.00 -1.88 -0.16 119.26 118.86 3kg9 h ALA 1166Ca 0.57 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kg9 h ALA 1166Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3kg9 h ALA 1166CO -0.25 0.84 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 3kg9 h LEU 1167N 0.07 -0.02 -1.10 0.00 6.46 -1.50 -2.31 115.31 116.92 3kg9 h LEU 1167Ca -0.02 -0.57 -0.04 0.00 -0.12 0.00 0.00 57.88 57.13 3kg9 h LEU 1167Cb 1.26 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 3kg9 h LEU 1167CO 0.10 0.57 0.21 0.25 -0.62 0.00 0.00 178.44 178.96 3kg9 h LEU 1168N -0.62 0.78 -0.82 2.25 5.85 -1.34 -2.38 115.31 119.03 3kg9 h LEU 1168Ca -0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3kg9 h LEU 1168Cb 0.59 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3kg9 h LEU 1168CO 0.00 0.72 0.32 -0.78 -0.34 0.00 0.00 178.44 178.36 3kg9 h ASP 1169N 0.84 1.09 -0.94 1.25 3.58 -1.06 -1.40 116.42 119.79 3kg9 h ASP 1169Ca 0.20 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.54 3kg9 h ASP 1169Cb 0.19 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 40.90 3kg9 h ASP 1169CO -0.01 0.96 0.60 0.00 -2.88 0.00 0.00 179.24 177.91 3kg9 h ALA 1170N 1.19 1.29 -0.16 -0.78 0.00 -0.91 0.00 119.26 119.89 3kg9 h ALA 1170Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kg9 h ALA 1170Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kg9 h ALA 1170CO -0.02 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.69 3kg9 h ALA 1171N 1.43 0.20 0.00 0.00 0.00 -1.07 -2.92 119.26 116.90 3kg9 h ALA 1171Ca 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3kg9 h ALA 1171Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kg9 h ALA 1171CO -0.17 -0.27 -0.13 -0.07 0.00 0.00 0.00 179.25 178.60 3kg9 h LEU 1172N 0.17 0.00 -2.88 0.00 3.38 -0.74 -2.31 115.31 112.94 3kg9 h LEU 1172Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kg9 h LEU 1172Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kg9 h LEU 1172CO -0.01 0.13 0.00 1.56 0.09 0.00 0.00 178.44 180.21 3kg9 h GLN 1173N 0.00 0.00 0.00 1.13 4.20 -0.80 -2.35 115.11 117.29 3kg9 h GLN 1173Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kg9 h GLN 1173Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3kg9 h GLN 1173CO 0.02 0.00 -0.03 0.82 -0.67 0.00 0.00 178.83 178.96 3kg9 h ILE 1174N 0.00 0.00 -0.55 2.54 2.04 -1.50 -3.38 117.51 116.66 3kg9 h ILE 1174Ca 0.00 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.42 3kg9 h ILE 1174Cb 0.00 1.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.51 3kg9 h ILE 1174CO 0.00 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.92 3kg9 h LEU 1175N 0.00 -0.59 -1.44 1.44 3.38 -1.60 -0.61 115.31 115.89 3kg9 h LEU 1175Ca 0.00 0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.35 3kg9 h LEU 1175Cb 0.78 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 3kg9 h LEU 1175CO 0.00 -0.20 0.61 1.23 0.09 0.00 0.00 178.44 180.16 3kg9 h GLY 1176N -0.03 1.00 2.00 0.83 0.00 -1.81 0.35 103.07 105.40 3kg9 h GLY 1176Ca 0.26 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3kg9 h GLY 1176CO -0.58 -0.02 -0.29 0.45 0.00 0.00 0.00 176.54 176.10 3kg9 h HIS 1177N 0.45 0.00 0.00 5.60 3.86 -1.30 -1.59 115.15 122.17 3kg9 h HIS 1177Ca 0.49 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.65 3kg9 h HIS 1177Cb 1.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 3kg9 h HIS 1177CO -0.00 0.29 -0.25 0.00 0.86 0.00 0.00 177.93 178.83 3kg9 h ALA 1178N 1.71 0.84 0.06 2.45 0.00 -0.82 -3.35 119.26 120.14 3kg9 h ALA 1178Ca -0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 3kg9 h ALA 1178Cb 0.91 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3kg9 h ALA 1178CO 0.04 0.31 -1.34 0.82 0.00 0.00 0.00 179.25 179.08 3kg9 h ILE 1179N 0.00 0.97 0.00 0.00 2.04 -1.14 -3.22 117.51 116.15 3kg9 h ILE 1179Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 3kg9 h ILE 1179Cb 1.19 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 3kg9 h ILE 1179CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3kg9 n GLY 1180N 1.64 2.24 3.45 5.37 0.00 -0.63 -4.91 105.19 112.35 3kg9 n GLY 1180Ca -0.28 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3kg9 n GLY 1180CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kg9 s ASN 1181N 2.00 6.16 0.61 1.61 2.47 -1.26 -4.32 114.94 122.19 3kg9 s ASN 1181Ca 0.00 -0.95 0.39 0.00 0.42 0.00 0.00 52.86 52.72 3kg9 s ASN 1181Cb 0.00 -2.20 1.89 0.00 -1.45 0.00 0.00 41.25 39.50 3kg9 s ASN 1181CO 0.00 -0.58 2.18 0.71 -3.72 0.00 0.00 177.10 175.69 3kg9 h THR 1182N 5.71 0.05 -0.14 -5.21 1.35 -1.91 0.15 112.91 112.91 3kg9 h THR 1182Ca -0.27 -0.27 -0.14 0.00 -0.55 0.00 0.00 66.41 65.18 3kg9 h THR 1182Cb 1.11 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3kg9 h THR 1182CO 0.81 0.01 -0.51 -0.08 -0.25 0.00 0.00 175.52 175.50 3kg9 h GLU 1183N 0.00 0.38 0.00 4.72 4.81 -1.98 -3.33 114.58 119.17 3kg9 h GLU 1183Ca -0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3kg9 h GLU 1183Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kg9 h GLU 1183CO 0.00 0.80 -0.86 0.25 -0.73 0.00 0.00 179.01 178.47 3kg9 n THR 1184N -3.96 0.00 -2.11 0.32 -2.24 -0.99 -4.97 114.28 100.33 3kg9 n THR 1184Ca -0.02 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3kg9 n THR 1184Cb 0.56 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3kg9 n THR 1184CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kg9 s ASP 1185N -2.34 6.68 0.00 3.42 -1.08 0.00 -4.88 116.67 118.47 3kg9 s ASP 1185Ca 0.00 2.03 0.27 0.00 -0.52 0.00 0.00 52.55 54.33 3kg9 s ASP 1185Cb 0.06 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.42 3kg9 s ASP 1185CO 0.34 -0.95 1.94 -0.90 0.52 0.00 0.00 175.17 176.13 3kg9 n ASP 1186N 7.24 0.00 -4.78 -0.34 5.75 -1.26 -4.81 116.55 118.35 3kg9 n ASP 1186Ca 0.17 -0.28 -0.32 0.00 -0.01 0.00 0.00 54.79 54.34 3kg9 n ASP 1186Cb 0.44 -0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 40.24 3kg9 n ASP 1186CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3kg9 s LYS 1187N -2.44 3.02 -0.30 0.11 -0.14 -1.26 -4.95 119.74 113.78 3kg9 s LYS 1187Ca 0.29 -0.54 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 3kg9 s LYS 1187Cb 0.18 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 3kg9 s LYS 1187CO 0.39 0.63 0.19 0.00 -0.76 0.00 0.00 175.35 175.80 3kg9 s ALA 1188N -1.23 3.44 -0.57 5.17 0.00 0.42 -4.97 121.76 124.02 3kg9 s ALA 1188Ca 0.24 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3kg9 s ALA 1188Cb -0.12 -2.48 0.10 0.00 0.00 0.00 0.00 23.12 20.61 3kg9 s ALA 1188CO 0.16 -0.74 0.68 0.71 0.00 0.00 0.00 175.76 176.56 3kg9 s TYR 1189N 1.71 3.02 -0.10 0.00 1.51 -1.26 -2.97 117.35 119.25 3kg9 s TYR 1189Ca 0.06 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 3kg9 s TYR 1189Cb -0.17 -3.91 0.01 0.00 -0.11 0.00 0.00 41.96 37.78 3kg9 s TYR 1189CO 0.09 -1.23 -0.19 -0.51 -1.11 0.00 0.00 175.55 172.59 3kg9 s LEU 1190N 2.63 1.93 0.26 -1.29 1.43 -0.89 -4.59 118.68 118.16 3kg9 s LEU 1190Ca 0.12 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 3kg9 s LEU 1190Cb -0.23 -1.23 -0.13 0.00 0.03 0.00 0.00 46.19 44.62 3kg9 s LEU 1190CO 0.07 0.09 1.45 -2.65 0.23 0.00 0.00 176.35 175.54 3kg9 n PRO 1191N 3.83 2.19 0.00 1.29 -0.02 -1.26 -1.12 135.00 139.92 3kg9 n PRO 1191Ca -0.20 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3kg9 n PRO 1191Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3kg9 n PRO 1191CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kg9 n VAL 1192N 1.91 0.00 -3.56 -1.45 3.14 -0.70 -4.84 118.33 112.83 3kg9 n VAL 1192Ca 0.11 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.38 3kg9 n VAL 1192Cb 0.33 -0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 32.50 3kg9 n VAL 1192CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3kg9 s GLY 1193N -2.38 -0.40 0.02 7.55 0.00 -1.13 0.05 107.32 111.04 3kg9 s GLY 1193Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3kg9 s GLY 1193CO 0.00 -0.09 -0.03 -0.26 0.00 0.00 0.00 173.10 172.72 3kg9 s ILE 1194N -3.79 0.19 -0.14 0.90 -4.36 -0.41 -0.54 121.20 113.04 3kg9 s ILE 1194Ca 0.03 -0.64 -0.27 0.00 -0.26 0.00 0.00 60.65 59.51 3kg9 s ILE 1194Cb -0.00 -0.27 -0.25 0.00 1.25 0.00 0.00 42.46 43.19 3kg9 s ILE 1194CO -0.11 -0.29 0.69 0.44 0.24 0.00 0.00 174.94 175.91 3kg9 h ASP 1195N 5.13 0.05 -3.73 4.36 3.32 -0.76 -1.01 116.42 123.78 3kg9 h ASP 1195Ca -0.30 -0.92 -0.18 0.00 0.02 0.00 0.00 57.03 55.64 3kg9 h ASP 1195Cb 1.21 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 3kg9 h ASP 1195CO 0.44 1.12 -0.49 -0.54 -1.72 0.00 0.00 179.24 178.06 3kg9 s LYS 1196N -2.26 0.23 -0.11 3.56 1.02 -0.57 -1.05 119.74 120.54 3kg9 s LYS 1196Ca -0.20 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.13 3kg9 s LYS 1196Cb -0.01 0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.38 3kg9 s LYS 1196CO 0.69 -0.05 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.73 3kg9 s LEU 1197N 0.31 1.82 -0.04 3.17 2.96 0.78 -0.56 118.68 127.12 3kg9 s LEU 1197Ca -0.02 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3kg9 s LEU 1197Cb -0.03 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3kg9 s LEU 1197CO -0.01 0.04 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.43 3kg9 s LYS 1198N 0.90 1.11 -0.07 1.98 1.02 -0.36 -1.95 119.74 122.37 3kg9 s LYS 1198Ca -0.08 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.65 3kg9 s LYS 1198Cb -0.15 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 3kg9 s LYS 1198CO -0.01 0.06 -0.19 -1.14 -0.92 0.00 0.00 175.35 173.16 3kg9 s GLN 1199N 0.42 2.71 -0.00 1.68 0.74 -1.26 -0.67 119.66 123.28 3kg9 s GLN 1199Ca -0.07 -0.78 0.06 0.00 0.05 0.00 0.00 55.36 54.61 3kg9 s GLN 1199Cb -0.11 -2.34 -0.07 0.00 1.10 0.00 0.00 33.01 31.59 3kg9 s GLN 1199CO 0.01 0.44 0.23 0.66 -0.55 0.00 0.00 175.29 176.07 3kg9 n TYR 1200N 2.84 0.00 -3.88 1.67 4.01 0.89 -4.89 117.16 117.80 3kg9 n TYR 1200Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 3kg9 n TYR 1200Cb 0.52 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 3kg9 n TYR 1200CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3kg9 s ARG 1201N -1.69 0.23 0.36 -0.72 3.52 -1.16 -5.01 118.95 114.48 3kg9 s ARG 1201Ca 0.01 -0.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.37 3kg9 s ARG 1201Cb 0.04 0.10 -0.06 0.00 -1.56 0.00 0.00 34.95 33.47 3kg9 s ARG 1201CO 0.24 -0.04 0.69 -0.65 -0.81 0.00 0.00 175.30 174.72 3kg9 s GLN 1202N -0.61 3.72 -0.50 5.12 -1.52 -1.26 -4.73 119.66 119.88 3kg9 s GLN 1202Ca -0.07 0.29 -0.10 0.00 -1.95 0.00 0.00 55.36 53.53 3kg9 s GLN 1202Cb -0.04 -2.49 0.01 0.00 -0.22 0.00 0.00 33.01 30.27 3kg9 s GLN 1202CO 0.00 0.06 0.59 2.41 -0.25 0.00 0.00 175.29 178.10 3kg9 n THR 1203N -1.16-10.14 -3.65 -0.19 -1.04 -1.26 -4.99 114.28 91.86 3kg9 n THR 1203Ca 0.01 0.46 -0.39 0.00 -2.04 0.00 0.00 64.05 62.09 3kg9 n THR 1203Cb 0.54 -6.94 -0.12 0.00 -1.82 0.00 0.00 70.33 61.99 3kg9 n THR 1203CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kg9 s ILE 1204N -2.67 4.65 -0.06 12.58 1.01 -1.26 -4.92 121.20 130.53 3kg9 s ILE 1204Ca 0.15 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3kg9 s ILE 1204Cb -0.04 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 3kg9 s ILE 1204CO 0.71 0.07 0.00 0.35 0.00 0.00 0.00 174.94 176.07 3kg9 n THR 1205N 4.99 0.39 -3.78 2.92 -2.24 -1.26 -4.75 114.28 110.55 3kg9 n THR 1205Ca -0.14 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3kg9 n THR 1205Cb 0.49 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.77 3kg9 n THR 1205CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kg9 s GLN 1206N -2.14 0.27 0.12 -0.78 -2.07 -1.26 -0.94 119.66 112.86 3kg9 s GLN 1206Ca -0.04 0.36 -0.05 0.00 -1.82 0.00 0.00 55.36 53.81 3kg9 s GLN 1206Cb 0.02 0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 3kg9 s GLN 1206CO 0.22 -0.05 0.14 0.14 -1.32 0.00 0.00 175.29 174.42 3kg9 s VAL 1207N 0.30 0.12 -0.21 3.63 -7.23 -0.01 -4.84 120.40 112.17 3kg9 s VAL 1207Ca -0.01 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 3kg9 s VAL 1207Cb -0.03 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 3kg9 s VAL 1207CO -0.01 -0.55 0.16 0.26 -0.31 0.00 0.00 175.10 174.66 3kg9 s TRP 1208N -3.96 3.39 -0.26 2.82 0.52 0.05 -0.80 118.94 120.70 3kg9 s TRP 1208Ca 0.15 0.34 -0.08 0.00 0.02 0.00 0.00 56.10 56.52 3kg9 s TRP 1208Cb 0.06 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 3kg9 s TRP 1208CO -0.04 0.21 0.10 0.00 0.02 0.00 0.00 176.95 177.25 3kg9 s ALA 1209N 0.59 3.27 -0.34 0.98 0.00 0.71 -0.83 121.76 126.15 3kg9 s ALA 1209Ca 0.09 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 3kg9 s ALA 1209Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.82 3kg9 s ALA 1209CO 0.01 -0.49 0.16 0.42 0.00 0.00 0.00 175.76 175.86 3kg9 s ILE 1210N 1.63 4.44 -0.18 0.00 1.01 0.39 -1.24 121.20 127.26 3kg9 s ILE 1210Ca 0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3kg9 s ILE 1210Cb -0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3kg9 s ILE 1210CO 0.06 -0.07 -0.06 -0.69 0.00 0.00 0.00 174.94 174.17 3kg9 s VAL 1211N 1.56 3.44 -0.04 2.92 1.01 -0.12 -1.18 120.40 127.99 3kg9 s VAL 1211Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3kg9 s VAL 1211Cb -0.18 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3kg9 s VAL 1211CO 0.06 0.47 -0.04 -1.61 0.00 0.00 0.00 175.10 173.98 3kg9 s GLU 1212N 0.84 0.72 -0.11 2.72 2.02 -0.73 -0.96 118.70 123.20 3kg9 s GLU 1212Ca -0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 3kg9 s GLU 1212Cb -0.15 -0.77 0.03 0.00 0.10 0.00 0.00 34.13 33.35 3kg9 s GLU 1212CO 0.01 -0.09 -0.04 0.42 0.02 0.00 0.00 175.26 175.58 3kg9 s ILE 1213N 0.94 0.74 0.36 -1.63 1.01 -0.83 -0.75 121.20 121.04 3kg9 s ILE 1213Ca -0.11 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 3kg9 s ILE 1213Cb -0.14 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.36 3kg9 s ILE 1213CO -0.00 0.27 1.53 -2.84 0.00 0.00 0.00 174.94 173.89 3kg9 s PRO 1214N 1.82 4.10 0.28 2.79 0.02 -1.26 -4.77 135.00 137.97 3kg9 s PRO 1214Ca 0.04 2.59 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 3kg9 s PRO 1214Cb -0.13 -2.98 -0.14 0.00 0.02 0.00 0.00 34.50 31.28 3kg9 s PRO 1214CO -0.07 -0.58 1.20 -1.91 -0.33 0.00 0.00 177.00 175.31 3kg9 n GLU 1215N 0.91 1.70 -2.94 5.54 2.13 -1.26 -2.19 120.64 124.53 3kg9 n GLU 1215Ca 0.03 0.60 -0.21 0.00 0.66 0.00 0.00 57.16 58.23 3kg9 n GLU 1215Cb 0.39 -2.11 0.02 0.00 0.27 0.00 0.00 31.44 30.00 3kg9 n GLU 1215CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kg9 n ASN 1216N 1.42 -5.45 -4.47 4.31 3.02 -1.26 -5.01 115.26 107.82 3kg9 n ASN 1216Ca 0.09 -0.22 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 3kg9 n ASN 1216Cb 0.32 -4.46 -0.11 0.00 -0.61 0.00 0.00 39.78 34.93 3kg9 n ASN 1216CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kg9 s THR 1217N -3.06 1.51 -0.27 3.41 -4.23 -0.93 -5.05 115.64 107.01 3kg9 s THR 1217Ca 0.25 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.80 3kg9 s THR 1217Cb -0.12 -2.70 0.45 0.00 1.34 0.00 0.00 72.50 71.48 3kg9 s THR 1217CO 0.31 -0.11 1.30 0.18 -0.54 0.00 0.00 174.62 175.75 3kg9 n LEU 1218N -0.70 3.89 -3.62 4.79 4.77 -1.26 -4.89 117.00 119.98 3kg9 n LEU 1218Ca -0.04 -4.15 -0.17 0.00 -0.03 0.00 0.00 56.01 51.63 3kg9 n LEU 1218Cb 0.65 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 3kg9 n LEU 1218CO 0.43 1.59 -0.21 -0.75 -1.33 0.00 0.00 177.39 177.12 3kg9 s LYS 1219N -3.37 0.10 0.00 3.23 2.20 -1.26 -0.68 119.74 119.96 3kg9 s LYS 1219Ca 0.44 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 3kg9 s LYS 1219Cb 0.40 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3kg9 s LYS 1219CO -0.02 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 3kg9 n GLY 1220N 5.33 5.29 3.19 5.54 0.00 -0.38 -4.24 105.19 119.92 3kg9 n GLY 1220Ca -0.05 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 3kg9 n GLY 1220CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kg9 s SER 1221N 1.00 1.75 -0.09 1.61 1.04 0.07 -0.47 113.70 118.61 3kg9 s SER 1221Ca 0.00 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 3kg9 s SER 1221Cb 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.09 3kg9 s SER 1221CO 0.00 -0.12 -0.10 -0.63 0.98 0.00 0.00 173.24 173.37 3kg9 s ILE 1222N -1.69 1.11 -0.14 -1.02 -1.09 -0.66 -1.78 121.20 115.93 3kg9 s ILE 1222Ca 0.02 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3kg9 s ILE 1222Cb -0.08 -1.06 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 3kg9 s ILE 1222CO 0.02 0.37 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.35 3kg9 s LYS 1223N 1.14 3.05 -0.25 2.79 1.02 -0.32 -0.20 119.74 126.97 3kg9 s LYS 1223Ca -0.05 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 3kg9 s LYS 1223Cb -0.14 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 3kg9 s LYS 1223CO -0.02 -0.01 0.12 -0.51 -0.92 0.00 0.00 175.35 174.01 3kg9 s LEU 1224N 0.82 3.71 0.17 3.17 1.43 0.33 -0.46 118.68 127.85 3kg9 s LEU 1224Ca -0.07 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3kg9 s LEU 1224Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3kg9 s LEU 1224CO -0.02 -0.02 -0.16 0.68 0.23 0.00 0.00 176.35 177.06 3kg9 s VAL 1225N 1.55 1.71 0.44 -1.59 -7.23 -0.01 -0.34 120.40 114.93 3kg9 s VAL 1225Ca 0.06 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 3kg9 s VAL 1225Cb -0.15 -1.87 0.10 0.00 0.56 0.00 0.00 36.38 35.02 3kg9 s VAL 1225CO 0.06 -0.44 0.59 -0.90 -0.31 0.00 0.00 175.10 174.11 3kg9 n ASP 1226N 0.08 0.17 0.05 4.85 5.68 -0.53 -0.77 116.55 126.07 3kg9 n ASP 1226Ca -0.12 -1.29 0.08 0.00 -0.50 0.00 0.00 54.79 52.97 3kg9 n ASP 1226Cb 0.58 -0.44 0.35 0.00 -1.14 0.00 0.00 41.12 40.47 3kg9 n ASP 1226CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kg9 n ASN 1227N -3.31 0.23 -1.01 -1.12 3.02 -1.26 -1.20 115.26 110.61 3kg9 n ASN 1227Ca 0.08 0.56 0.11 0.00 -0.03 0.00 0.00 54.58 55.30 3kg9 n ASN 1227Cb 0.27 -0.61 0.16 0.00 -0.61 0.00 0.00 39.78 39.00 3kg9 n ASN 1227CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kg9 n GLN 1228N -1.76 2.28 -0.86 3.52 6.02 -1.26 -4.97 117.38 120.35 3kg9 n GLN 1228Ca 0.03 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 3kg9 n GLN 1228Cb 0.17 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3kg9 n GLN 1228CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg9 n GLY 1229N 1.32 0.68 3.74 1.08 0.00 -0.34 -4.84 105.19 106.84 3kg9 n GLY 1229Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kg9 n GLY 1229CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kg9 s SER 1230N -2.31 6.80 -0.21 1.61 0.01 -1.26 -0.23 113.70 118.11 3kg9 s SER 1230Ca 0.00 2.52 -0.29 0.00 1.31 0.00 0.00 55.95 59.49 3kg9 s SER 1230Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3kg9 s SER 1230CO 0.00 -0.59 1.08 -0.22 0.41 0.00 0.00 173.24 173.91 3kg9 s LEU 1231N -0.32 4.12 -0.19 2.44 2.96 -1.26 -1.45 118.68 124.98 3kg9 s LEU 1231Ca 0.57 1.45 0.06 0.00 -0.22 0.00 0.00 54.13 55.98 3kg9 s LEU 1231Cb -0.39 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.54 3kg9 s LEU 1231CO 0.41 -0.67 0.08 0.18 -1.32 0.00 0.00 176.35 175.03 3kg9 n LEU 1232N 6.27 1.90 -3.55 -0.68 4.77 0.54 -4.72 117.00 121.53 3kg9 n LEU 1232Ca 0.12 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3kg9 n LEU 1232Cb 0.46 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3kg9 n LEU 1232CO 0.53 0.74 0.67 0.00 -1.33 0.00 0.00 177.39 178.00 3kg9 s ALA 1233N -2.53 -1.87 -0.01 -1.18 0.00 -1.10 -0.08 121.76 115.00 3kg9 s ALA 1233Ca -0.22 1.41 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 3kg9 s ALA 1233Cb 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3kg9 s ALA 1233CO 0.72 -0.39 0.20 -1.83 0.00 0.00 0.00 175.76 174.46 3kg9 s GLU 1234N -1.50 0.52 -0.15 0.00 -1.05 0.16 -0.51 118.70 116.17 3kg9 s GLU 1234Ca -0.03 -0.26 -0.01 0.00 -0.15 0.00 0.00 54.97 54.52 3kg9 s GLU 1234Cb -0.00 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3kg9 s GLU 1234CO 0.02 -0.13 -0.12 0.42 0.95 0.00 0.00 175.26 176.40 3kg9 s ILE 1235N -1.21 3.08 -0.13 1.83 1.01 0.73 -1.23 121.20 125.27 3kg9 s ILE 1235Ca -0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 3kg9 s ILE 1235Cb -0.06 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3kg9 s ILE 1235CO 0.02 0.51 0.07 -1.61 0.00 0.00 0.00 174.94 173.93 3kg9 s GLU 1236N 0.55 3.52 -0.83 2.79 2.02 0.28 -1.66 118.70 125.36 3kg9 s GLU 1236Ca -0.08 -0.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 3kg9 s GLU 1236Cb -0.15 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3kg9 s GLU 1236CO 0.04 0.56 0.70 0.41 0.02 0.00 0.00 175.26 176.98 3kg9 n GLY 1237N 2.63 -0.10 3.61 -1.39 0.00 -0.81 -1.52 105.19 107.61 3kg9 n GLY 1237Ca -0.18 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3kg9 n GLY 1237CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kg9 s LEU 1238N -5.02 3.67 -0.03 0.99 0.20 0.38 -1.87 118.68 117.00 3kg9 s LEU 1238Ca 0.04 1.02 -0.14 0.00 0.69 0.00 0.00 54.13 55.75 3kg9 s LEU 1238Cb -0.02 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 3kg9 s LEU 1238CO 0.50 -1.36 0.36 -0.13 -0.29 0.00 0.00 176.35 175.43 3kg9 s ARG 1239N 4.80 3.88 0.14 1.98 0.52 0.30 -1.24 118.95 129.33 3kg9 s ARG 1239Ca 0.63 0.31 0.09 0.00 -0.52 0.00 0.00 55.73 56.23 3kg9 s ARG 1239Cb -0.16 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3kg9 s ARG 1239CO 0.30 0.66 -0.20 0.14 0.02 0.00 0.00 175.30 176.22 3kg9 s VAL 1240N -0.91 1.86 0.36 3.52 -7.23 0.15 -1.73 120.40 116.41 3kg9 s VAL 1240Ca 0.22 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 3kg9 s VAL 1240Cb -0.16 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 3kg9 s VAL 1240CO 0.11 -0.19 0.79 0.42 -0.31 0.00 0.00 175.10 175.93 3kg9 s THR 1241N -1.66 4.62 -0.62 5.32 -4.23 -0.27 -4.85 115.64 113.95 3kg9 s THR 1241Ca 0.13 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 3kg9 s THR 1241Cb -0.08 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.46 3kg9 s THR 1241CO 0.06 -0.26 0.97 0.00 -0.54 0.00 0.00 174.62 174.84 3kg9 n ALA 1242N -0.56 4.65 -2.37 3.99 0.00 -1.26 -2.08 120.51 122.89 3kg9 n ALA 1242Ca 0.04 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.76 3kg9 n ALA 1242Cb 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3kg9 n ALA 1242CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kg9 n THR 1243N -0.01 0.00 -4.48 0.00 -2.24 -1.16 -4.73 114.28 101.67 3kg9 n THR 1243Ca 0.32 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.85 3kg9 n THR 1243Cb 0.39 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 3kg9 n THR 1243CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kg9 s THR 1244N 2.47 0.58 -0.48 4.28 -4.23 -1.26 -0.43 115.64 116.57 3kg9 s THR 1244Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 3kg9 s THR 1244Cb 0.00 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.61 3kg9 s THR 1244CO 0.00 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.60 3kg9 n ALA 1245N -0.85 1.19 0.31 3.99 0.00 -1.26 -1.84 120.51 122.05 3kg9 n ALA 1245Ca -0.04 0.12 0.20 0.00 0.00 0.00 0.00 53.44 53.71 3kg9 n ALA 1245Cb 0.65 -1.26 1.03 0.00 0.00 0.00 0.00 19.45 19.88 3kg9 n ALA 1245CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kg9 h ASP 1246N 0.00 0.00 0.17 0.00 5.19 -1.95 -1.29 116.42 118.55 3kg9 h ASP 1246Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3kg9 h ASP 1246Cb 0.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 3kg9 h ASP 1246CO 0.00 0.02 -0.07 0.00 -3.12 0.00 0.00 179.24 176.06 3kg9 h ALA 1247N 1.98 1.47 0.00 3.45 0.00 -1.78 -2.51 119.26 121.87 3kg9 h ALA 1247Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kg9 h ALA 1247Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kg9 h ALA 1247CO 0.00 0.09 -0.33 -0.07 0.00 0.00 0.00 179.25 178.95 3kg9 h LEU 1248N 0.00 0.00 0.03 0.00 3.38 -1.45 -3.35 115.31 113.92 3kg9 h LEU 1248Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3kg9 h LEU 1248Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3kg9 h LEU 1248CO 0.01 0.33 -2.05 0.18 0.09 0.00 0.00 178.44 177.00 3kg9 n LEU 1249N -3.20 1.50 0.00 1.67 4.77 -0.98 -3.78 117.00 116.99 3kg9 n LEU 1249Ca 0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3kg9 n LEU 1249Cb 0.65 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kg9 n LEU 1249CO 0.38 0.62 0.24 2.29 -1.33 0.00 0.00 177.39 179.59