#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg n ALA 958 N 0.00 -1.64 -1.90 0.62 0.00 -1.26 -4.93 120.51 111.41 1gkg n ALA 958 Ca 0.00 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1gkg n ALA 958 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 19.45 15.65 1gkg n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1gkg s GLU 959 N -6.06 4.36 0.00 0.00 2.12 -1.26 -4.89 118.70 112.97 1gkg s GLU 959 Ca 0.33 2.15 -0.04 0.00 0.36 0.00 0.00 54.97 57.77 1gkg s GLU 959 Cb -0.15 -3.14 -0.18 0.00 0.26 0.00 0.00 34.13 30.91 1gkg s GLU 959 CO 0.77 -0.26 3.04 0.00 -0.54 0.00 0.00 175.26 178.26 1gkg n ALA 960 N 2.06 5.50 -1.12 6.30 0.00 -1.26 -4.90 120.51 127.09 1gkg n ALA 960 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1gkg n ALA 960 Cb 0.42 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1gkg n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gkg n LYS 961 N 2.21 -2.95 -3.66 0.00 3.00 -1.26 -4.61 118.16 110.87 1gkg n LYS 961 Ca 0.29 2.29 -0.08 0.00 -0.00 0.00 0.00 58.31 60.80 1gkg n LYS 961 Cb 0.76 -2.83 -0.09 0.00 0.00 0.00 0.00 35.03 32.88 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1gkg s SER 962 N -4.56 -0.77 -0.13 3.14 1.04 -1.26 -4.22 113.70 106.93 1gkg s SER 962 Ca 0.00 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1gkg s SER 962 Cb 0.00 1.14 0.13 0.00 0.10 0.00 0.00 66.02 67.39 1gkg s SER 962 CO 0.00 -0.22 1.66 0.00 0.98 0.00 0.00 173.24 175.66 1gkg n LYS 964 N 0.58 -4.56 -1.75 0.00 3.00 -1.26 -4.64 118.16 109.52 1gkg n LYS 964 Ca 0.14 3.29 -0.42 0.00 -0.00 0.00 0.00 58.31 61.32 1gkg n LYS 964 Cb 0.64 -3.70 -0.03 0.00 0.00 0.00 0.00 35.03 31.94 1gkg n LYS 964 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1gkg s THR 965 N -1.79 2.91 -0.25 3.15 2.01 -1.26 -4.87 115.64 115.55 1gkg s THR 965 Ca 0.00 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1gkg s THR 965 Cb 0.00 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 1gkg s THR 965 CO 0.00 -0.01 2.21 -2.65 -0.69 0.00 0.00 174.62 173.49 1gkg n PRO 966 N 6.63 1.76 -2.50 4.92 -0.02 -1.26 -4.94 135.00 139.58 1gkg n PRO 966 Ca 0.18 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1gkg n PRO 966 Cb 0.40 -3.05 -0.04 0.00 -0.02 0.00 0.00 33.50 30.79 1gkg n PRO 966 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 967 N 6.30 4.65 -0.48 0.52 0.04 -1.26 -4.86 135.00 139.91 1gkg s PRO 967 Ca 1.03 1.77 -0.34 0.00 0.04 0.00 0.00 61.00 63.50 1gkg s PRO 967 Cb -0.47 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.74 1gkg s PRO 967 CO 0.39 0.22 2.29 -0.40 0.04 0.00 0.00 177.00 179.54 1gkg n ASP 968 N 1.34 1.74 -2.10 6.66 5.75 -1.26 -4.92 116.55 123.76 1gkg n ASP 968 Ca -0.01 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1gkg n ASP 968 Cb 0.45 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1gkg n PRO 969 N 8.28 3.26 -1.30 0.11 -0.02 -1.26 -4.73 135.00 139.34 1gkg n PRO 969 Ca 0.46 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1gkg n PRO 969 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.63 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1gkg n VAL 970 N 0.00 0.00 -2.17 -1.45 0.31 -1.26 -3.00 118.33 110.76 1gkg n VAL 970 Ca 0.00 -0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1gkg n VAL 970 Cb 0.00 -0.91 -0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1gkg n VAL 970 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1gkg n ASN 971 N 11.61 -1.47 -2.49 4.52 0.23 -1.26 -3.82 115.26 122.58 1gkg n ASN 971 Ca 0.24 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1gkg n ASN 971 Cb 0.46 -1.44 0.00 0.00 -2.08 0.00 0.00 39.78 36.72 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gkg n GLY 972 N -0.46 -0.38 3.35 4.83 0.00 -1.16 -2.68 105.19 108.68 1gkg n GLY 972 Ca -0.03 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.30 1gkg n GLY 972 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1gkg s MET 973 N 0.08 0.55 0.09 1.61 1.75 -1.26 -4.50 119.30 117.62 1gkg s MET 973 Ca 0.00 1.17 -0.12 0.00 -1.25 0.00 0.00 55.69 55.49 1gkg s MET 973 Cb 0.00 0.63 -0.06 0.00 2.84 0.00 0.00 34.83 38.23 1gkg s MET 973 CO 0.00 -0.43 0.44 0.54 -0.65 0.00 0.00 175.02 174.92 1gkg s VAL 974 N 2.85 5.01 -0.49 10.11 0.11 -1.26 -1.66 120.40 135.07 1gkg s VAL 974 Ca 0.08 0.62 0.04 0.00 -2.93 0.00 0.00 61.98 59.80 1gkg s VAL 974 Cb -0.14 -3.68 0.13 0.00 -1.53 0.00 0.00 36.38 31.16 1gkg s VAL 974 CO -0.20 0.32 0.23 -1.00 -3.33 0.00 0.00 175.10 171.13 1gkg s HIS 975 N -1.36 3.29 -0.47 1.54 3.76 0.33 -4.99 115.29 117.38 1gkg s HIS 975 Ca 0.33 -3.13 -0.27 0.00 -0.15 0.00 0.00 55.06 51.83 1gkg s HIS 975 Cb -0.15 -2.85 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1gkg s HIS 975 CO 0.18 -0.78 1.98 0.08 -0.85 0.00 0.00 174.74 175.35 1gkg s VAL 976 N -0.09 3.29 0.00 -0.90 1.01 -1.26 -2.40 120.40 120.06 1gkg s VAL 976 Ca 0.16 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1gkg s VAL 976 Cb -0.25 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1gkg s VAL 976 CO -0.01 -0.50 0.00 -0.38 0.00 0.00 0.00 175.10 174.21 1gkg n ILE 977 N 7.48 0.00 -1.70 2.22 5.41 -1.26 -4.63 119.36 126.88 1gkg n ILE 977 Ca 0.25 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.60 1gkg n ILE 977 Cb 0.50 -0.07 -0.01 0.00 -0.71 0.00 0.00 39.64 39.35 1gkg n ILE 977 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1gkg n THR 978 N 0.00 4.46 -3.48 1.39 -2.24 -1.26 -4.96 114.28 108.19 1gkg n THR 978 Ca 0.00 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 1gkg n THR 978 Cb 0.00 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 65.80 1gkg n THR 978 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gkg n ASP 979 N 3.47 -0.66 -0.88 3.42 9.92 -1.26 -4.48 116.55 126.08 1gkg n ASP 979 Ca 0.65 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.88 1gkg n ASP 979 Cb 0.28 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1gkg n ILE 980 N 0.00 0.00 0.20 0.53 -5.35 -1.26 -4.58 119.36 108.90 1gkg n ILE 980 Ca 0.00 -0.13 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 1gkg n ILE 980 Cb 0.00 0.42 0.08 0.00 -1.74 0.00 0.00 39.64 38.40 1gkg n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n GLN 981 N 0.07 1.63 0.00 6.28 10.64 -1.26 -2.77 117.38 131.97 1gkg n GLN 981 Ca -0.13 -1.12 0.00 0.00 -1.83 0.00 0.00 57.00 53.92 1gkg n GLN 981 Cb 0.70 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 1gkg n GLN 981 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg n VAL 982 N -0.05 0.00 -0.20 -0.39 0.31 -1.26 -4.64 118.33 112.11 1gkg n VAL 982 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1gkg n VAL 982 Cb 0.88 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 1.95 1.33 3.75 2.92 0.00 0.79 -4.96 105.19 110.98 1gkg n GLY 983 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 984 N -2.94 4.24 -0.20 1.61 0.01 -1.26 -4.77 113.70 110.40 1gkg s SER 984 Ca 0.00 1.88 -0.04 0.00 1.31 0.00 0.00 55.95 59.10 1gkg s SER 984 Cb 0.00 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.79 1gkg s SER 984 CO 0.00 -2.21 0.17 -0.60 0.41 0.00 0.00 173.24 171.01 1gkg s ARG 985 N -4.86 0.15 0.27 12.44 3.52 -1.26 -1.13 118.95 128.08 1gkg s ARG 985 Ca 0.62 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1gkg s ARG 985 Cb -0.18 -1.42 0.05 0.00 -1.56 0.00 0.00 34.95 31.83 1gkg s ARG 985 CO 0.56 -0.68 0.38 0.44 -0.81 0.00 0.00 175.30 175.19 1gkg n ILE 986 N 5.30 0.00 -3.72 4.11 -5.35 -0.92 -4.13 119.36 114.65 1gkg n ILE 986 Ca -0.06 -0.75 -0.11 0.00 -0.27 0.00 0.00 62.75 61.55 1gkg n ILE 986 Cb 0.49 -0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 37.32 1gkg n ILE 986 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1gkg s THR 987 N -0.80 -0.03 0.40 7.28 -4.23 -1.01 -3.47 115.64 113.79 1gkg s THR 987 Ca 0.27 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1gkg s THR 987 Cb -0.02 -0.51 -0.00 0.00 1.34 0.00 0.00 72.50 73.31 1gkg s THR 987 CO 0.17 0.04 0.59 -0.31 -0.54 0.00 0.00 174.62 174.57 1gkg s TYR 988 N 1.19 3.15 0.00 3.99 1.51 -0.92 -0.51 117.35 125.76 1gkg s TYR 988 Ca -0.08 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1gkg s TYR 988 Cb -0.08 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1gkg s TYR 988 CO -0.10 -0.23 0.00 -1.13 -1.11 0.00 0.00 175.55 172.98 1gkg n SER 989 N -1.90 0.00 -0.64 2.29 3.41 -0.66 -4.72 113.62 111.39 1gkg n SER 989 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 1gkg n SER 989 Cb 0.58 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gkg n THR 991 N -2.62 0.00 -0.09 0.00 -2.24 -1.09 -4.62 114.28 103.62 1gkg n THR 991 Ca -0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1gkg n THR 991 Cb 0.29 -0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1gkg n THR 991 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1gkg n THR 992 N -1.17 1.59 -1.06 4.28 5.66 -1.26 -4.45 114.28 117.88 1gkg n THR 992 Ca 0.00 -0.41 -0.25 0.00 -3.05 0.00 0.00 64.05 60.34 1gkg n THR 992 Cb 0.00 -1.78 0.07 0.00 -1.55 0.00 0.00 70.33 67.07 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gkg n GLY 993 N 1.74 4.86 3.18 1.09 0.00 -1.26 -4.86 105.19 109.93 1gkg n GLY 993 Ca -0.41 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1gkg n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 994 N -2.76 -0.44 -0.16 1.61 4.02 -1.26 -4.82 115.29 111.48 1gkg s HIS 994 Ca 0.47 1.00 -0.27 0.00 1.02 0.00 0.00 55.06 57.27 1gkg s HIS 994 Cb 0.37 0.15 -0.01 0.00 -1.02 0.00 0.00 32.58 32.07 1gkg s HIS 994 CO 0.00 -0.26 0.93 0.50 1.02 0.00 0.00 174.74 176.94 1gkg s ARG 995 N 1.01 4.33 0.14 1.40 3.52 -0.94 -4.63 118.95 123.78 1gkg s ARG 995 Ca -0.07 1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.44 1gkg s ARG 995 Cb -0.07 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.66 1gkg s ARG 995 CO -0.08 -0.39 1.28 -1.17 -0.81 0.00 0.00 175.30 174.13 1gkg s LEU 996 N 2.34 4.40 -0.46 -0.88 2.96 -1.26 -0.22 118.68 125.55 1gkg s LEU 996 Ca 0.43 2.25 0.09 0.00 -0.22 0.00 0.00 54.13 56.67 1gkg s LEU 996 Cb -0.17 -3.59 0.32 0.00 0.50 0.00 0.00 46.19 43.25 1gkg s LEU 996 CO 0.13 -0.52 0.76 -0.38 -1.32 0.00 0.00 176.35 175.02 1gkg n ILE 997 N 3.31 0.94 -2.35 6.68 2.08 0.46 -4.80 119.36 125.68 1gkg n ILE 997 Ca 0.08 -4.85 -0.03 0.00 0.56 0.00 0.00 62.75 58.51 1gkg n ILE 997 Cb 0.44 -1.07 0.01 0.00 -0.75 0.00 0.00 39.64 38.26 1gkg n ILE 997 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1gkg n GLY 998 N 0.38 1.11 3.48 7.39 0.00 -1.26 -2.29 105.19 114.01 1gkg n GLY 998 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1gkg n GLY 998 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gkg n HIS 999 N -0.36 0.00 -2.74 1.61 8.25 -1.26 -3.20 115.22 117.52 1gkg n HIS 999 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1gkg n HIS 999 Cb 0.84 -1.67 -0.01 0.00 1.12 0.00 0.00 29.99 30.27 1gkg n HIS 999 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1gkg n SER 1000N -0.37 -2.01 -3.52 0.41 3.41 -1.26 -4.85 113.62 105.42 1gkg n SER 1000Ca 0.00 0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.65 1gkg n SER 1000Cb 0.22 -1.79 -0.05 0.00 -0.26 0.00 0.00 64.21 62.32 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkg s SER 1001N -2.18 -0.58 -0.26 4.04 1.04 -1.20 -2.18 113.70 112.40 1gkg s SER 1001Ca 0.11 0.57 -0.14 0.00 0.48 0.00 0.00 55.95 56.97 1gkg s SER 1001Cb -0.06 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1gkg s SER 1001CO 0.13 -0.58 0.62 0.00 0.98 0.00 0.00 173.24 174.40 1gkg s ALA 1002N -1.44 -1.70 -0.22 5.32 0.00 -1.23 -4.82 121.76 117.68 1gkg s ALA 1002Ca -0.07 2.21 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1gkg s ALA 1002Cb -0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 1gkg s ALA 1002CO 0.06 -0.41 0.13 -2.00 0.00 0.00 0.00 175.76 173.54 1gkg s GLU 1003N 1.72 4.08 -1.21 0.00 2.12 -1.26 -2.17 118.70 121.98 1gkg s GLU 1003Ca -0.09 -0.27 -0.20 0.00 0.36 0.00 0.00 54.97 54.76 1gkg s GLU 1003Cb -0.06 -3.44 0.03 0.00 0.26 0.00 0.00 34.13 30.91 1gkg s GLU 1003CO -0.18 0.16 1.74 0.00 -0.54 0.00 0.00 175.26 176.44 1gkg n ILE 1005N 6.83 0.00 -3.68 0.00 -5.35 -0.15 -0.15 119.36 116.87 1gkg n ILE 1005Ca 0.45 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.75 1gkg n ILE 1005Cb 0.47 -0.43 -0.16 0.00 -1.74 0.00 0.00 39.64 37.78 1gkg n ILE 1005CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1gkg s LEU 1006N 0.00 0.11 -0.16 7.28 1.98 -1.26 -2.27 118.68 124.37 1gkg s LEU 1006Ca 0.00 0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 51.43 1gkg s LEU 1006Cb 0.00 0.10 -0.23 0.00 0.66 0.00 0.00 46.19 46.72 1gkg s LEU 1006CO 0.00 -0.24 0.20 -1.20 -1.89 0.00 0.00 176.35 173.22 1gkg n SER 1007N 5.19 1.95 0.00 3.68 7.64 -1.18 -4.91 113.62 126.00 1gkg n SER 1007Ca -0.06 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1gkg n SER 1007Cb 0.50 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1gkg n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkg n GLY 1008N 2.04 1.54 0.00 0.23 0.00 -1.26 -4.95 105.19 102.79 1gkg n GLY 1008Ca -0.35 0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1gkg n GLY 1008CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkg n ASN 1009N 0.00 0.00 -3.72 1.61 3.02 -1.26 -4.63 115.26 110.28 1gkg n ASN 1009Ca 0.00 -0.76 -0.14 0.00 -0.03 0.00 0.00 54.58 53.65 1gkg n ASN 1009Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1gkg s THR 1010N -2.00 0.02 0.44 3.41 2.01 -1.26 -5.06 115.64 113.20 1gkg s THR 1010Ca 0.04 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 1gkg s THR 1010Cb 0.02 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 1gkg s THR 1010CO 0.03 -0.11 1.04 0.00 -0.69 0.00 0.00 174.62 174.89 1gkg s ALA 1011N -0.58 2.99 -0.01 7.40 0.00 -1.25 -3.09 121.76 127.21 1gkg s ALA 1011Ca -0.07 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1gkg s ALA 1011Cb -0.04 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1gkg s ALA 1011CO 0.03 -0.24 0.30 -1.01 0.00 0.00 0.00 175.76 174.84 1gkg s HIS 1012N -1.82 -0.18 -0.30 0.00 3.76 -0.96 -3.87 115.29 111.92 1gkg s HIS 1012Ca 0.62 0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 55.51 1gkg s HIS 1012Cb -0.19 0.09 0.01 0.00 1.11 0.00 0.00 32.58 33.61 1gkg s HIS 1012CO 0.23 -0.39 1.02 -1.58 -0.85 0.00 0.00 174.74 173.18 1gkg s TRP 1013N -1.32 3.20 0.59 1.40 0.52 -1.26 -0.98 118.94 121.09 1gkg s TRP 1013Ca -0.14 1.19 0.29 0.00 0.02 0.00 0.00 56.10 57.46 1gkg s TRP 1013Cb -0.05 -3.53 1.52 0.00 -1.15 0.00 0.00 33.47 30.26 1gkg s TRP 1013CO 0.04 -0.68 1.94 0.66 0.02 0.00 0.00 176.95 178.94 1gkg h SER 1014N 7.97 0.00 -3.42 2.95 4.64 -1.77 -3.41 113.55 120.51 1gkg h SER 1014Ca -0.21 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.57 1gkg h SER 1014Cb 1.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1gkg h SER 1014CO 1.00 0.00 0.06 0.42 -0.87 0.00 0.00 176.83 177.44 1gkg s THR 1015N -4.60 4.60 0.59 2.95 -4.23 -1.26 -5.02 115.64 108.67 1gkg s THR 1015Ca -0.04 1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 61.61 1gkg s THR 1015Cb 0.15 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1gkg s THR 1015CO 0.53 0.41 1.20 -1.59 -0.54 0.00 0.00 174.62 174.64 1gkg s LYS 1016N -1.46 3.00 -0.24 3.99 -2.85 -1.26 -4.87 119.74 116.05 1gkg s LYS 1016Ca 0.36 1.80 -0.35 0.00 -1.00 0.00 0.00 55.97 56.77 1gkg s LYS 1016Cb -0.19 -1.94 -0.12 0.00 -2.06 0.00 0.00 37.83 33.52 1gkg s LYS 1016CO 0.22 -1.17 2.00 -2.30 0.10 0.00 0.00 175.35 174.19 1gkg n PRO 1017N -1.58 1.51 -1.83 1.78 -0.02 -1.26 -4.89 135.00 128.71 1gkg n PRO 1017Ca 0.13 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1gkg n PRO 1017Cb 0.50 -2.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 1018N 5.00 4.06 -0.03 0.52 0.02 -1.26 -4.90 135.00 138.41 1gkg s PRO 1018Ca 1.01 2.51 0.03 0.00 0.02 0.00 0.00 61.00 64.58 1gkg s PRO 1018Cb -0.81 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 30.78 1gkg s PRO 1018CO 0.52 -0.55 -0.12 -1.50 -0.33 0.00 0.00 177.00 175.02 1gkg s ILE 1019N -1.14 1.04 -0.21 2.83 2.07 -0.97 -4.34 121.20 120.48 1gkg s ILE 1019Ca 0.54 -0.51 -0.13 0.00 -1.41 0.00 0.00 60.65 59.13 1gkg s ILE 1019Cb -0.45 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.19 1gkg s ILE 1019CO 0.61 0.31 0.27 0.00 -1.91 0.00 0.00 174.94 174.22 1gkg s GLN 1021N 1.04 4.34 0.15 0.00 -1.52 0.69 -4.82 119.66 119.54 1gkg s GLN 1021Ca 0.13 1.65 0.17 0.00 -1.95 0.00 0.00 55.36 55.36 1gkg s GLN 1021Cb -0.14 -3.59 0.75 0.00 -0.22 0.00 0.00 33.01 29.81 1gkg s GLN 1021CO 0.05 -0.48 1.52 2.89 -0.25 0.00 0.00 175.29 179.02 1gkg n ARG 1022N 5.43 0.09 -3.18 2.91 0.00 -1.26 -2.21 116.66 118.44 1gkg n ARG 1022Ca 0.11 0.42 -0.05 0.00 -0.00 0.00 0.00 57.85 58.32 1gkg n ARG 1022Cb 0.46 -1.71 0.00 0.00 -0.00 0.00 0.00 32.46 31.21 1gkg n ARG 1022CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1gkg n ILE 1023N -1.90 -8.96 -1.62 8.89 5.41 -1.26 -4.62 119.36 115.29 1gkg n ILE 1023Ca 0.02 -0.12 -0.48 0.00 1.00 0.00 0.00 62.75 63.17 1gkg n ILE 1023Cb 0.14 -6.22 -0.04 0.00 -0.71 0.00 0.00 39.64 32.82 1gkg n ILE 1023CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1gkg n PRO 1024N -1.80 1.59 0.00 0.38 -0.04 -1.15 -4.69 135.00 129.29 1gkg n PRO 1024Ca -0.05 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1gkg n PRO 1024Cb 0.53 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1gkg n PRO 1024CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg n GLY 1026N 5.00 3.90 3.77 0.00 0.00 -1.24 -4.82 105.19 111.79 1gkg n GLY 1026Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1gkg n GLY 1026CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkg s LEU 1027N 0.00 4.17 0.54 0.99 1.43 -1.26 -4.89 118.68 119.66 1gkg s LEU 1027Ca 0.00 2.47 -0.21 0.00 -1.03 0.00 0.00 54.13 55.36 1gkg s LEU 1027Cb 0.00 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 1gkg s LEU 1027CO 0.00 -0.80 1.25 -2.84 0.23 0.00 0.00 176.35 174.20 1gkg s PRO 1028N -2.34 3.26 -0.37 1.29 0.02 -1.26 -4.85 135.00 130.76 1gkg s PRO 1028Ca 0.58 1.97 -0.39 0.00 0.02 0.00 0.00 61.00 63.18 1gkg s PRO 1028Cb -0.33 -2.19 -0.15 0.00 0.02 0.00 0.00 34.50 31.85 1gkg s PRO 1028CO 0.42 -1.01 2.03 -2.30 -0.33 0.00 0.00 177.00 175.80 1gkg n PRO 1029N -1.06 0.83 -2.64 5.54 -0.02 -1.26 -4.90 135.00 131.50 1gkg n PRO 1029Ca 0.11 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1gkg n PRO 1029Cb 0.47 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gkg s THR 1030N 5.75 3.83 -0.05 3.45 -4.23 -1.26 -4.71 115.64 118.42 1gkg s THR 1030Ca 1.08 1.81 0.12 0.00 -1.18 0.00 0.00 61.69 63.53 1gkg s THR 1030Cb -1.08 -4.14 0.23 0.00 1.34 0.00 0.00 72.50 68.84 1gkg s THR 1030CO 0.59 0.41 1.12 2.30 -0.54 0.00 0.00 174.62 178.49 1gkg n ILE 1031N 1.26 0.08 -1.98 2.99 -5.35 -1.26 -4.97 119.36 110.13 1gkg n ILE 1031Ca -0.01 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1gkg n ILE 1031Cb 0.46 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1gkg n ILE 1031CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n ALA 1032N 0.02 -1.60 0.00 -1.28 0.00 -1.26 -4.00 120.51 112.38 1gkg n ALA 1032Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1gkg n ALA 1032Cb 0.89 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1gkg n ALA 1032CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkg n ASN 1033N 1.83 0.00 -3.57 0.00 3.02 -1.26 -4.86 115.26 110.43 1gkg n ASN 1033Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1gkg n ASN 1033Cb 0.00 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 1034N -0.70 2.66 0.00 7.41 0.00 -1.26 0.05 105.19 113.36 1gkg n GLY 1034Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1gkg n GLY 1034CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gkg n ASP 1035N 7.05 0.00 -3.67 1.61 9.92 -1.26 -4.62 116.55 125.59 1gkg n ASP 1035Ca 0.49 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.61 1gkg n ASP 1035Cb 0.37 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.77 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1gkg s PHE 1036N 0.00 -0.61 -1.24 1.24 -0.12 -1.26 -4.51 117.98 111.48 1gkg s PHE 1036Ca 0.00 1.42 -0.06 0.00 -0.05 0.00 0.00 56.93 58.25 1gkg s PHE 1036Cb 0.00 0.23 0.18 0.00 -0.63 0.00 0.00 43.02 42.80 1gkg s PHE 1036CO 0.00 -0.34 2.08 -0.89 -0.05 0.00 0.00 175.22 176.02 1gkg n ILE 1037N 2.49 5.18 -1.91 -4.49 2.08 -0.91 -4.89 119.36 116.91 1gkg n ILE 1037Ca -0.15 -4.78 0.00 0.00 0.56 0.00 0.00 62.75 58.38 1gkg n ILE 1037Cb 0.56 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 1gkg n ILE 1037CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1gkg n SER 1038N 1.92 0.00 0.00 4.38 7.64 -1.26 -4.64 113.62 121.66 1gkg n SER 1038Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1gkg n SER 1038Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1gkg n SER 1038CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gkg n THR 1039N 0.00 0.00 -3.12 0.44 -1.04 -1.26 -4.98 114.28 104.31 1gkg n THR 1039Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1gkg n THR 1039Cb 0.00 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gkg n ASN 1040N 0.00 0.00 -2.25 8.00 3.02 -1.26 -4.99 115.26 117.79 1gkg n ASN 1040Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1gkg n ASN 1040Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gkg n ARG 1041N 14.00 -4.79 -4.29 3.52 1.74 -1.26 -4.21 116.66 121.37 1gkg n ARG 1041Ca 0.00 3.51 -0.38 0.00 -0.77 0.00 0.00 57.85 60.21 1gkg n ARG 1041Cb 0.00 -4.40 -0.08 0.00 -1.02 0.00 0.00 32.46 26.96 1gkg n ARG 1041CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1gkg n GLU 1042N 1.68 -0.76 -3.35 5.56 0.28 -1.26 -4.86 120.64 117.94 1gkg n GLU 1042Ca -0.01 0.12 0.02 0.00 -0.16 0.00 0.00 57.16 57.14 1gkg n GLU 1042Cb 0.01 -4.23 -0.03 0.00 1.43 0.00 0.00 31.44 28.61 1gkg n GLU 1042CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1gkg s ASN 1043N -3.20 -0.76 -0.21 -1.84 0.01 -1.26 -5.17 114.94 102.52 1gkg s ASN 1043Ca 0.69 0.82 -0.27 0.00 -0.71 0.00 0.00 52.86 53.39 1gkg s ASN 1043Cb -0.40 1.77 0.09 0.00 0.41 0.00 0.00 41.25 43.12 1gkg s ASN 1043CO 0.95 -0.14 0.83 0.72 -1.51 0.00 0.00 177.10 177.95 1gkg s PHE 1044N 2.68 -0.62 0.26 2.20 -0.12 -1.26 -4.47 117.98 116.64 1gkg s PHE 1044Ca 0.01 1.36 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 1gkg s PHE 1044Cb -0.09 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 1gkg s PHE 1044CO -0.17 -0.39 0.00 0.72 -0.05 0.00 0.00 175.22 175.34 1gkg n HIS 1045N 1.89 -2.30 0.00 3.49 -0.00 -1.26 -4.38 115.22 112.65 1gkg n HIS 1045Ca -0.14 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1gkg n HIS 1045Cb 0.56 0.71 0.00 0.00 -0.00 0.00 0.00 29.99 31.26 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1gkg n TYR 1046N -3.33 0.00 0.00 4.41 9.36 -1.26 -2.13 117.16 124.20 1gkg n TYR 1046Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1gkg n TYR 1046Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1gkg n TYR 1046CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkg n GLY 1047N 0.00 0.00 3.46 2.98 0.00 -1.26 -4.89 105.19 105.48 1gkg n GLY 1047Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gkg n GLY 1047CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 1048N -0.25 -0.96 -3.99 1.61 7.64 -1.26 -4.67 113.62 111.74 1gkg n SER 1048Ca 0.00 0.83 -0.13 0.00 1.01 0.00 0.00 58.87 60.58 1gkg n SER 1048Cb 0.00 -1.14 -0.12 0.00 -1.01 0.00 0.00 64.21 61.93 1gkg n SER 1048CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gkg s VAL 1049N -1.60 0.32 -0.08 0.44 1.01 -1.26 -2.36 120.40 116.86 1gkg s VAL 1049Ca 0.65 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1gkg s VAL 1049Cb -0.52 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1gkg s VAL 1049CO 0.57 -0.23 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 1gkg s VAL 1050N -0.87 0.61 -0.29 2.92 1.01 0.28 -4.64 120.40 119.42 1gkg s VAL 1050Ca -0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1gkg s VAL 1050Cb -0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1gkg s VAL 1050CO -0.00 0.30 0.19 -0.89 0.00 0.00 0.00 175.10 174.70 1gkg s THR 1051N 1.84 5.27 0.40 3.92 2.01 -1.26 -1.32 115.64 126.50 1gkg s THR 1051Ca 0.04 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 1gkg s THR 1051Cb -0.12 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1gkg s THR 1051CO -0.06 0.22 1.07 -0.31 -0.69 0.00 0.00 174.62 174.85 1gkg s TYR 1052N 1.75 3.25 0.00 4.92 1.51 -0.85 -2.14 117.35 125.78 1gkg s TYR 1052Ca 0.07 1.63 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1gkg s TYR 1052Cb -0.16 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 1gkg s TYR 1052CO 0.11 -0.72 0.00 -2.13 -1.11 0.00 0.00 175.55 171.69 1gkg n ARG 1053N -0.01 0.00 -0.83 -0.62 0.63 -1.26 -4.93 116.66 109.63 1gkg n ARG 1053Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1gkg n ARG 1053Cb 0.49 -0.23 0.00 0.00 0.45 0.00 0.00 32.46 33.17 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg s ASN 1055N -3.15 6.62 0.00 0.00 3.84 0.11 -4.87 114.94 117.49 1gkg s ASN 1055Ca 0.00 2.55 -0.01 0.00 0.21 0.00 0.00 52.86 55.61 1gkg s ASN 1055Cb 0.00 -2.59 -0.06 0.00 -0.55 0.00 0.00 41.25 38.05 1gkg s ASN 1055CO 0.00 -0.81 1.76 0.18 -2.79 0.00 0.00 177.10 175.44 1gkg n LEU 1056N 4.29 3.58 -3.63 3.21 7.99 -1.26 -4.63 117.00 126.55 1gkg n LEU 1056Ca 0.14 -1.85 -0.21 0.00 -0.01 0.00 0.00 56.01 54.08 1gkg n LEU 1056Cb 0.39 -0.83 0.05 0.00 -0.11 0.00 0.00 43.42 42.93 1gkg n LEU 1056CO 0.61 0.78 0.03 0.61 -1.51 0.00 0.00 177.39 177.91 1gkg n GLY 1057N 1.99 -0.35 3.59 -0.72 0.00 -1.26 -1.76 105.19 106.68 1gkg n GLY 1057Ca 0.09 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1gkg n GLY 1057CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gkg n SER 1058N -3.05 -5.92 0.00 1.61 2.88 -1.26 -4.87 113.62 103.01 1gkg n SER 1058Ca -0.24 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1gkg n SER 1058Cb 0.65 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gkg n ARG 1059N -4.77 0.00 0.00 -1.46 5.12 -0.72 -5.08 116.66 109.74 1gkg n ARG 1059Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gkg n ARG 1059Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gkg n GLY 1060N 0.00 0.00 3.69 -0.13 0.00 -1.23 -4.59 105.19 102.93 1gkg n GLY 1060Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gkg n GLY 1060CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gkg n ARG 1061N -0.32 1.33 -1.99 1.61 0.63 -1.26 -4.90 116.66 111.76 1gkg n ARG 1061Ca 0.00 0.50 -0.42 0.00 -0.92 0.00 0.00 57.85 57.01 1gkg n ARG 1061Cb 0.00 -2.40 -0.03 0.00 0.45 0.00 0.00 32.46 30.49 1gkg n ARG 1061CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1gkg s LYS 1062N -2.84 4.25 0.00 -0.14 2.20 -1.26 -4.75 119.74 117.20 1gkg s LYS 1062Ca 0.74 2.31 0.05 0.00 -0.36 0.00 0.00 55.97 58.71 1gkg s LYS 1062Cb -0.42 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 32.84 1gkg s LYS 1062CO 0.48 -0.49 0.94 1.55 -0.36 0.00 0.00 175.35 177.47 1gkg n VAL 1063N 2.98 0.00 -3.69 4.02 3.14 -1.26 -5.10 118.33 118.43 1gkg n VAL 1063Ca 0.09 -0.19 -0.02 0.00 -2.96 0.00 0.00 64.34 61.27 1gkg n VAL 1063Cb 0.40 0.50 0.01 0.00 -1.06 0.00 0.00 33.84 33.69 1gkg n VAL 1063CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1gkg n PHE 1064N 0.09 -0.97 -3.67 1.45 1.16 -1.26 -4.97 117.46 109.29 1gkg n PHE 1064Ca -0.15 -0.68 -0.11 0.00 -1.87 0.00 0.00 57.45 54.65 1gkg n PHE 1064Cb 0.75 0.33 -0.11 0.00 -1.61 0.00 0.00 39.48 38.83 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1gkg s GLU 1065N -2.03 0.27 -0.08 3.97 2.02 -1.20 -4.91 118.70 116.74 1gkg s GLU 1065Ca 0.12 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 1gkg s GLU 1065Cb -0.01 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1gkg s GLU 1065CO 0.03 -0.24 1.58 -1.17 0.02 0.00 0.00 175.26 175.48 1gkg s LEU 1066N 2.26 4.27 -0.90 1.80 2.96 -1.26 -0.25 118.68 127.55 1gkg s LEU 1066Ca -0.03 2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 1gkg s LEU 1066Cb -0.11 -3.53 0.23 0.00 0.50 0.00 0.00 46.19 43.28 1gkg s LEU 1066CO -0.11 -0.92 0.85 -0.69 -1.32 0.00 0.00 176.35 174.15 1gkg s VAL 1067N 4.02 5.51 0.00 1.68 1.01 0.83 -4.95 120.40 128.50 1gkg s VAL 1067Ca 0.70 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.80 1gkg s VAL 1067Cb -0.31 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1gkg s VAL 1067CO 0.27 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.91 1gkg n GLY 1068N 3.45 0.16 3.84 4.51 0.00 -1.26 -2.68 105.19 113.21 1gkg n GLY 1068Ca 0.17 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 1gkg n GLY 1068CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gkg n GLU 1069N -0.55 -0.67 -0.00 1.61 4.07 -1.26 -4.60 120.64 119.24 1gkg n GLU 1069Ca 0.00 -0.19 0.12 0.00 -0.06 0.00 0.00 57.16 57.03 1gkg n GLU 1069Cb 0.00 -0.95 0.67 0.00 -0.06 0.00 0.00 31.44 31.10 1gkg n GLU 1069CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1gkg n PRO 1070N -3.04 1.05 -3.64 5.31 -0.04 -1.26 -4.24 135.00 129.14 1gkg n PRO 1070Ca -0.07 -0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.16 1gkg n PRO 1070Cb 0.30 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1gkg s SER 1071N -1.72 -0.55 0.06 3.54 0.01 -1.26 -2.00 113.70 111.77 1gkg s SER 1071Ca 0.35 0.86 -0.09 0.00 1.31 0.00 0.00 55.95 58.38 1gkg s SER 1071Cb 0.16 0.85 -0.00 0.00 0.21 0.00 0.00 66.02 67.24 1gkg s SER 1071CO 0.27 -0.37 0.18 0.27 0.41 0.00 0.00 173.24 174.00 1gkg s ILE 1072N -0.42 0.13 -0.10 1.44 -4.36 -0.43 -4.84 121.20 112.62 1gkg s ILE 1072Ca -0.06 -1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 1gkg s ILE 1072Cb -0.03 -1.12 0.07 0.00 1.25 0.00 0.00 42.46 42.63 1gkg s ILE 1072CO 0.04 -0.59 0.69 -0.72 0.24 0.00 0.00 174.94 174.61 1gkg s TYR 1073N -3.18 -0.68 0.24 1.37 -0.85 -1.26 -0.56 117.35 112.43 1gkg s TYR 1073Ca -0.00 1.29 -0.31 0.00 -0.52 0.00 0.00 57.07 57.53 1gkg s TYR 1073Cb 0.02 0.38 -0.11 0.00 0.38 0.00 0.00 41.96 42.63 1gkg s TYR 1073CO -0.07 -0.56 1.58 0.00 -1.52 0.00 0.00 175.55 174.98 1gkg n THR 1075N 2.89 0.00 -3.31 0.00 5.66 -1.17 -4.48 114.28 113.87 1gkg n THR 1075Ca 0.10 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.93 1gkg n THR 1075Cb 0.38 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1gkg n THR 1075CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gkg n SER 1076N -0.04 -6.23 -1.07 1.09 7.64 -0.85 -4.82 113.62 109.34 1gkg n SER 1076Ca 0.00 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1gkg n SER 1076Cb 0.00 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.20 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1gkg n ASN 1077N -3.16 2.10 0.00 6.43 2.04 -1.26 -3.23 115.26 118.18 1gkg n ASN 1077Ca -0.09 -1.36 0.00 0.00 -0.44 0.00 0.00 54.58 52.69 1gkg n ASN 1077Cb 0.62 -0.37 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 1gkg n ASN 1077CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1gkg n ASP 1078N 0.78 0.00 0.00 0.53 2.03 -1.26 -5.09 116.55 113.54 1gkg n ASP 1078Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1gkg n ASP 1078Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gkg n ASP 1079N 0.00 0.00 -0.06 1.67 8.00 -1.20 -4.61 116.55 120.35 1gkg n ASP 1079Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1gkg n ASP 1079Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkg n GLN 1080N 13.78 3.29 0.00 -1.24 -0.00 -1.26 -4.46 117.38 127.49 1gkg n GLN 1080Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1gkg n GLN 1080Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1gkg n VAL 1081N 0.00 0.00 -2.27 -0.39 0.31 -1.26 -4.25 118.33 110.46 1gkg n VAL 1081Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1gkg n VAL 1081Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1gkg n VAL 1081CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 1082N 0.00 0.51 3.72 2.92 0.00 -1.26 -4.71 105.19 106.37 1gkg n GLY 1082Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkg s ILE 1083N -3.03 4.86 0.00 -0.61 1.01 -1.26 -3.68 121.20 118.50 1gkg s ILE 1083Ca 0.02 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1gkg s ILE 1083Cb -0.01 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1gkg s ILE 1083CO 0.06 0.22 0.00 0.79 0.00 0.00 0.00 174.94 176.01 1gkg n TRP 1084N 3.67 -0.01 -0.01 3.97 7.02 -1.26 -2.00 117.44 128.82 1gkg n TRP 1084Ca 0.03 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.34 1gkg n TRP 1084Cb 0.51 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.31 1gkg n TRP 1084CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1gkg h SER 1085N 0.00 0.79 -3.49 -0.99 0.87 -1.16 -3.40 113.55 106.18 1gkg h SER 1085Ca 0.00 -0.67 0.25 0.00 -1.23 0.00 0.00 61.79 60.14 1gkg h SER 1085Cb 0.00 -0.24 -0.25 0.00 -0.44 0.00 0.00 62.40 61.48 1gkg h SER 1085CO 0.00 1.34 0.92 -0.83 -0.53 0.00 0.00 176.83 177.73 1gkg s GLY 1086N -4.08 -0.03 0.71 5.77 0.00 -1.26 -4.99 107.32 103.44 1gkg s GLY 1086Ca -0.11 2.46 -0.17 0.00 0.00 0.00 0.00 44.72 46.90 1gkg s GLY 1086CO 0.87 0.94 0.14 -1.05 0.00 0.00 0.00 173.10 174.00 1gkg n PRO 1087N 0.35 0.16 -1.89 2.90 -0.02 -1.26 -4.88 135.00 130.37 1gkg n PRO 1087Ca 0.01 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.17 1gkg n PRO 1087Cb 0.58 -1.47 0.01 0.00 -0.02 0.00 0.00 33.50 32.60 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s ALA 1088N -1.96 3.15 0.34 3.55 0.00 -1.26 -4.93 121.76 120.65 1gkg s ALA 1088Ca 0.59 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1gkg s ALA 1088Cb -0.36 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1gkg s ALA 1088CO 0.64 -1.10 0.00 -0.35 0.00 0.00 0.00 175.76 174.96 1gkg n PRO 1089N -0.27 3.05 -3.94 0.00 -0.04 -1.26 -5.04 135.00 127.50 1gkg n PRO 1089Ca 0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1gkg n PRO 1089Cb 0.43 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.72 1gkg n PRO 1089CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1gkg s GLN 1090N 0.00 0.64 -1.38 0.54 -1.52 -1.09 -4.95 119.66 111.89 1gkg s GLN 1090Ca 0.00 0.03 -0.10 0.00 -1.95 0.00 0.00 55.36 53.34 1gkg s GLN 1090Cb 0.00 -0.85 0.09 0.00 -0.22 0.00 0.00 33.01 32.03 1gkg s GLN 1090CO 0.00 -0.20 2.21 0.00 -0.25 0.00 0.00 175.29 177.05