#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 0.00 -1.87 0.62 0.00 -1.26 -5.14 120.51 112.86 1gkg n ALA 958 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1gkg n ALA 958 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 2.86 4.43 0.00 0.00 2.12 -1.26 -4.88 118.70 121.98 1gkg s GLU 959 Ca 0.00 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.39 1gkg s GLU 959 Cb 0.00 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1gkg s GLU 959 CO 0.00 -0.14 1.23 0.00 -0.54 0.00 0.00 175.26 175.81 1gkg n ALA 960 N 1.69 2.94 -1.52 6.30 0.00 -1.26 -4.90 120.51 123.76 1gkg n ALA 960 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1gkg n ALA 960 Cb 0.43 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.16 -4.15 -3.69 0.00 3.00 -1.26 -4.46 118.16 108.77 1gkg n LYS 961 Ca 0.00 3.16 -0.10 0.00 -0.00 0.00 0.00 58.31 61.37 1gkg n LYS 961 Cb 0.39 -3.78 -0.10 0.00 0.00 0.00 0.00 35.03 31.55 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1gkg s SER 962 N -4.48 -0.60 0.25 3.14 0.01 -1.26 -3.21 113.70 107.55 1gkg s SER 962 Ca 0.00 1.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.01 1gkg s SER 962 Cb 0.00 0.95 -0.09 0.00 0.21 0.00 0.00 66.02 67.09 1gkg s SER 962 CO 0.00 -0.20 0.94 0.00 0.41 0.00 0.00 173.24 174.40 1gkg s LYS 964 N -1.29 3.36 0.00 0.00 2.47 -1.26 -4.80 119.74 118.22 1gkg s LYS 964 Ca 0.42 2.08 -0.38 0.00 -1.56 0.00 0.00 55.97 56.53 1gkg s LYS 964 Cb -0.25 -2.32 -0.17 0.00 -1.46 0.00 0.00 37.83 33.63 1gkg s LYS 964 CO 0.31 -0.96 1.36 2.41 0.16 0.00 0.00 175.35 178.62 1gkg n THR 965 N -0.82 0.04 -2.05 3.43 -1.04 -1.26 -4.86 114.28 107.72 1gkg n THR 965 Ca 0.09 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 1gkg n THR 965 Cb 0.46 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.23 1gkg n THR 965 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1gkg s PRO 966 N 0.90 4.27 -0.08 -2.82 0.04 -1.26 -4.90 135.00 131.15 1gkg s PRO 966 Ca 0.88 2.22 -0.38 0.00 0.04 0.00 0.00 61.00 63.77 1gkg s PRO 966 Cb -1.05 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.15 1gkg s PRO 966 CO 0.52 -0.49 1.60 -2.30 0.04 0.00 0.00 177.00 176.37 1gkg n PRO 967 N 3.66 1.35 -1.68 0.56 -0.02 -1.26 -4.78 135.00 132.83 1gkg n PRO 967 Ca 0.11 0.49 -0.57 0.00 -2.02 0.00 0.00 63.50 61.52 1gkg n PRO 967 Cb 0.40 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 1gkg n PRO 967 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gkg n ASP 968 N 4.29 2.06 -4.45 2.55 8.00 -1.26 -4.81 116.55 122.93 1gkg n ASP 968 Ca 0.22 1.10 -0.36 0.00 0.71 0.00 0.00 54.79 56.45 1gkg n ASP 968 Cb 0.18 -1.13 0.06 0.00 -0.02 0.00 0.00 41.12 40.22 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1gkg n PRO 969 N 4.45 0.30 -1.63 -0.24 -0.04 -0.59 -4.71 135.00 132.53 1gkg n PRO 969 Ca 0.24 0.14 -0.64 0.00 -0.04 0.00 0.00 63.50 63.20 1gkg n PRO 969 Cb 0.13 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gkg n VAL 970 N -2.31 0.07 -4.32 0.52 0.31 -1.18 0.33 118.33 111.75 1gkg n VAL 970 Ca 0.10 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 64.07 1gkg n VAL 970 Cb 0.50 -0.69 -0.08 0.00 -0.91 0.00 0.00 33.84 32.67 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 5.19 -0.42 -3.64 4.52 0.23 -1.26 -3.10 115.26 116.77 1gkg n ASN 971 Ca 0.35 -1.20 -0.10 0.00 -0.53 0.00 0.00 54.58 53.10 1gkg n ASN 971 Cb -0.01 -1.93 -0.07 0.00 -2.08 0.00 0.00 39.78 35.69 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gkg s GLY 972 N -3.97 -0.57 0.11 4.83 0.00 0.15 -2.61 107.32 105.26 1gkg s GLY 972 Ca 0.30 2.19 -0.02 0.00 0.00 0.00 0.00 44.72 47.19 1gkg s GLY 972 CO 0.98 2.09 0.30 -3.16 0.00 0.00 0.00 173.10 173.32 1gkg s MET 973 N 1.15 3.53 0.00 2.90 0.23 -1.26 -1.55 119.30 124.30 1gkg s MET 973 Ca -0.06 -0.27 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 1gkg s MET 973 Cb -0.05 -2.93 0.00 0.00 -1.53 0.00 0.00 34.83 30.31 1gkg s MET 973 CO -0.12 0.53 0.00 1.33 -2.03 0.00 0.00 175.02 174.73 1gkg n VAL 974 N 0.12 0.00 -3.19 5.16 0.24 -1.26 -2.29 118.33 117.10 1gkg n VAL 974 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1gkg n VAL 974 Cb 0.52 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.90 1gkg n VAL 974 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1gkg s HIS 975 N 1.47 -1.62 -0.31 6.34 3.76 0.23 -4.73 115.29 120.44 1gkg s HIS 975 Ca 0.00 0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 55.53 1gkg s HIS 975 Cb 0.00 0.20 -0.02 0.00 1.11 0.00 0.00 32.58 33.88 1gkg s HIS 975 CO 0.00 -1.05 1.66 0.08 -0.85 0.00 0.00 174.74 174.58 1gkg s VAL 976 N 2.75 3.63 0.00 -0.90 1.01 -1.26 -2.17 120.40 123.46 1gkg s VAL 976 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1gkg s VAL 976 Cb -0.11 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1gkg s VAL 976 CO -0.27 -0.44 0.00 -0.38 0.00 0.00 0.00 175.10 174.01 1gkg n ILE 977 N 7.03 0.00 0.00 2.22 5.41 -1.26 -4.89 119.36 127.86 1gkg n ILE 977 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1gkg n ILE 977 Cb 0.46 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 -0.62 0.00 -1.80 1.39 -2.24 -1.26 -4.92 114.28 104.82 1gkg n THR 978 Ca 0.00 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1gkg n THR 978 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.21 0.00 -2.25 3.42 8.00 -1.26 -4.99 116.55 119.26 1gkg n ASP 979 Ca 0.00 -0.84 -0.13 0.00 0.71 0.00 0.00 54.79 54.54 1gkg n ASP 979 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gkg n ILE 980 N 0.00 -0.50 -2.64 0.53 -5.35 -1.26 -4.94 119.36 105.20 1gkg n ILE 980 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 1gkg n ILE 980 Cb 0.42 -1.71 -0.00 0.00 -1.74 0.00 0.00 39.64 36.61 1gkg n ILE 980 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1gkg s GLN 981 N -4.69 3.53 0.32 6.28 -0.21 -1.26 -3.06 119.66 120.58 1gkg s GLN 981 Ca 0.00 0.19 -0.25 0.00 0.02 0.00 0.00 55.36 55.32 1gkg s GLN 981 Cb 0.00 -2.38 -0.15 0.00 1.00 0.00 0.00 33.01 31.49 1gkg s GLN 981 CO 0.00 -0.21 0.58 0.28 -2.12 0.00 0.00 175.29 173.82 1gkg n VAL 982 N -2.26 1.75 0.00 1.09 0.31 -1.20 -0.78 118.33 117.24 1gkg n VAL 982 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1gkg n VAL 982 Cb 0.55 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.79 1.83 3.56 2.92 0.00 0.17 -4.97 105.19 110.49 1gkg n GLY 983 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.72 -0.24 1.61 0.01 0.04 -4.71 113.70 111.14 1gkg s SER 984 Ca 0.00 0.70 -0.15 0.00 1.31 0.00 0.00 55.95 57.81 1gkg s SER 984 Cb 0.00 -0.99 0.07 0.00 0.21 0.00 0.00 66.02 65.31 1gkg s SER 984 CO 0.00 -4.25 0.59 -0.60 0.41 0.00 0.00 173.24 169.38 1gkg s ARG 985 N -5.32 0.61 0.00 12.44 3.52 -1.26 -0.92 118.95 128.02 1gkg s ARG 985 Ca 0.70 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1gkg s ARG 985 Cb -0.11 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1gkg s ARG 985 CO 0.57 -0.14 0.00 0.44 -0.81 0.00 0.00 175.30 175.36 1gkg n ILE 986 N 3.96 0.00 -3.69 4.11 -5.35 -0.87 -4.54 119.36 112.99 1gkg n ILE 986 Ca -0.20 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.19 1gkg n ILE 986 Cb 0.57 -1.16 -0.10 0.00 -1.74 0.00 0.00 39.64 37.21 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 1.67 -0.13 0.48 7.28 -4.23 -0.92 -3.97 115.64 115.83 1gkg s THR 987 Ca 0.00 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1gkg s THR 987 Cb 0.00 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.21 1gkg s THR 987 CO 0.00 0.04 0.70 -0.31 -0.54 0.00 0.00 174.62 174.51 1gkg s TYR 988 N 1.61 3.05 0.00 3.99 1.51 0.11 0.78 117.35 128.40 1gkg s TYR 988 Ca -0.08 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1gkg s TYR 988 Cb -0.09 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 1gkg s TYR 988 CO -0.13 -0.56 0.00 -1.13 -1.11 0.00 0.00 175.55 172.62 1gkg n SER 989 N -2.15 0.00 -0.44 2.29 3.41 -0.97 -4.70 113.62 111.06 1gkg n SER 989 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.71 1gkg n SER 989 Cb 0.59 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.88 0.00 0.00 0.00 5.66 -1.07 -4.65 114.28 111.34 1gkg n THR 991 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1gkg n THR 991 Cb 0.21 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1gkg n THR 991 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1gkg n THR 992 N 0.00 0.00 0.50 1.09 5.66 -1.26 -4.55 114.28 115.72 1gkg n THR 992 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1gkg n THR 992 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.31 1.08 3.71 1.09 0.00 -1.26 -4.81 105.19 105.30 1gkg n GLY 993 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.49 3.59 -0.96 1.61 4.02 -1.26 -4.91 115.29 117.88 1gkg s HIS 994 Ca 0.00 1.45 -0.23 0.00 1.02 0.00 0.00 55.06 57.30 1gkg s HIS 994 Cb 0.00 -2.97 0.06 0.00 -1.02 0.00 0.00 32.58 28.65 1gkg s HIS 994 CO 0.00 -0.00 1.36 0.50 1.02 0.00 0.00 174.74 177.62 1gkg s ARG 995 N 1.08 3.53 0.33 1.40 3.52 -0.84 -4.78 118.95 123.18 1gkg s ARG 995 Ca 0.44 -1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1gkg s ARG 995 Cb -0.19 -5.10 -0.11 0.00 -1.56 0.00 0.00 34.95 27.99 1gkg s ARG 995 CO 0.22 -2.11 1.51 -0.48 -0.81 0.00 0.00 175.30 173.62 1gkg s LEU 996 N 4.65 4.34 0.25 -0.88 0.05 -1.26 -0.74 118.68 125.09 1gkg s LEU 996 Ca 0.42 2.94 0.05 0.00 0.05 0.00 0.00 54.13 57.59 1gkg s LEU 996 Cb -0.02 -3.65 -0.03 0.00 -2.05 0.00 0.00 46.19 40.44 1gkg s LEU 996 CO -0.06 -0.85 0.36 -0.63 -0.55 0.00 0.00 176.35 174.62 1gkg s ILE 997 N -0.56 5.18 0.00 1.48 -1.09 0.29 -4.41 121.20 122.08 1gkg s ILE 997 Ca 0.57 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1gkg s ILE 997 Cb -0.46 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1gkg s ILE 997 CO 0.54 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1gkg n GLY 998 N -1.42 0.51 0.80 6.18 0.00 -1.26 -2.06 105.19 107.94 1gkg n GLY 998 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.93 -2.19 -0.58 1.61 8.25 -1.26 -4.61 115.22 113.51 1gkg n HIS 999 Ca 0.00 1.16 -0.02 0.00 -0.26 0.00 0.00 57.72 58.60 1gkg n HIS 999 Cb 0.00 -2.29 -0.02 0.00 1.12 0.00 0.00 29.99 28.80 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 -0.80 5.40 -3.45 0.41 3.41 -1.26 -4.77 113.62 112.56 1gkg n SER 1000Ca 0.00 -2.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.04 1gkg n SER 1000Cb 0.00 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1gkg n SER 1000CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gkg s SER 1001N 1.90 -0.51 -0.28 4.04 0.15 -1.26 0.04 113.70 117.77 1gkg s SER 1001Ca 0.09 0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 1gkg s SER 1001Cb 0.05 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 65.01 1gkg s SER 1001CO -0.00 -0.86 0.87 0.00 1.20 0.00 0.00 173.24 174.45 1gkg s ALA 1002N -3.49 -2.05 -0.23 5.45 0.00 -1.25 -4.85 121.76 115.33 1gkg s ALA 1002Ca 0.02 2.21 -0.10 0.00 0.00 0.00 0.00 51.96 54.09 1gkg s ALA 1002Cb -0.01 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1gkg s ALA 1002CO -0.11 -0.34 0.15 -1.83 0.00 0.00 0.00 175.76 173.63 1gkg s GLU 1003N 1.17 4.10 -1.20 0.00 -1.05 -1.26 -2.04 118.70 118.42 1gkg s GLU 1003Ca -0.07 -0.26 -0.21 0.00 -0.15 0.00 0.00 54.97 54.29 1gkg s GLU 1003Cb -0.04 -3.51 -0.01 0.00 -0.44 0.00 0.00 34.13 30.13 1gkg s GLU 1003CO -0.14 0.12 1.82 0.00 0.95 0.00 0.00 175.26 178.01 1gkg n ILE 1005N 7.15 0.00 -3.65 0.00 -5.35 -0.18 0.44 119.36 117.77 1gkg n ILE 1005Ca 0.45 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.88 1gkg n ILE 1005Cb 0.47 -1.18 -0.06 0.00 -1.74 0.00 0.00 39.64 37.13 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 -0.94 -0.10 7.28 0.20 -1.26 -1.00 118.68 122.87 1gkg s LEU 1006Ca 0.00 1.44 -0.19 0.00 0.69 0.00 0.00 54.13 56.07 1gkg s LEU 1006Cb 0.00 2.15 -0.16 0.00 -0.43 0.00 0.00 46.19 47.76 1gkg s LEU 1006CO 0.00 -0.23 0.60 0.28 -0.29 0.00 0.00 176.35 176.72 1gkg h SER 1007N 7.59 -0.06 0.00 3.68 0.02 -1.91 -3.47 113.55 119.40 1gkg h SER 1007Ca -0.24 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1gkg h SER 1007Cb 1.15 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1gkg h SER 1007CO 0.14 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 1gkg n GLY 1008N 1.31 0.00 0.03 -3.77 0.00 -1.26 -5.02 105.19 96.48 1gkg n GLY 1008Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1gkg n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gkg n ASN 1009N 0.00 0.00 -3.72 1.61 5.15 -1.26 -5.15 115.26 111.89 1gkg n ASN 1009Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1gkg n ASN 1009Cb 0.00 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1gkg s THR 1010N -1.12 0.07 0.19 -0.44 2.01 -1.26 -5.13 115.64 109.96 1gkg s THR 1010Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1gkg s THR 1010Cb 0.00 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.50 1gkg s THR 1010CO 0.00 -0.32 1.14 0.00 -0.69 0.00 0.00 174.62 174.75 1gkg s ALA 1011N -2.46 3.40 -0.05 7.40 0.00 -1.26 -3.76 121.76 125.01 1gkg s ALA 1011Ca -0.05 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 1gkg s ALA 1011Cb -0.01 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1gkg s ALA 1011CO -0.03 -0.27 0.32 -1.01 0.00 0.00 0.00 175.76 174.77 1gkg s HIS 1012N -0.23 -0.24 -0.23 0.00 3.76 -0.17 -4.17 115.29 114.00 1gkg s HIS 1012Ca 0.50 0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 55.61 1gkg s HIS 1012Cb -0.31 0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.48 1gkg s HIS 1012CO 0.36 -0.31 1.25 -1.58 -0.85 0.00 0.00 174.74 173.60 1gkg s TRP 1013N -0.79 2.85 0.65 1.40 0.52 -1.26 -1.01 118.94 121.30 1gkg s TRP 1013Ca -0.09 1.01 0.29 0.00 0.02 0.00 0.00 56.10 57.34 1gkg s TRP 1013Cb -0.04 -3.63 1.57 0.00 -1.15 0.00 0.00 33.47 30.21 1gkg s TRP 1013CO 0.03 -1.54 1.90 0.66 0.02 0.00 0.00 176.95 178.02 1gkg h SER 1014N 8.52 0.00 -3.36 2.95 4.64 -1.82 -3.41 113.55 121.06 1gkg h SER 1014Ca -0.25 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.51 1gkg h SER 1014Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1gkg h SER 1014CO 1.00 0.00 0.07 0.42 -0.87 0.00 0.00 176.83 177.44 1gkg s THR 1015N -4.22 4.85 0.66 2.95 -4.23 -1.26 -5.05 115.64 109.35 1gkg s THR 1015Ca -0.03 1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 61.73 1gkg s THR 1015Cb 0.10 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1gkg s THR 1015CO 0.33 0.38 1.20 -0.54 -0.54 0.00 0.00 174.62 175.45 1gkg s LYS 1016N -0.04 2.56 -0.13 3.99 1.02 -1.26 -4.87 119.74 121.02 1gkg s LYS 1016Ca 0.35 1.77 -0.40 0.00 0.02 0.00 0.00 55.97 57.70 1gkg s LYS 1016Cb -0.19 -1.88 -0.18 0.00 -0.52 0.00 0.00 37.83 35.06 1gkg s LYS 1016CO 0.20 -1.51 1.45 -2.30 -0.92 0.00 0.00 175.35 172.26 1gkg n PRO 1017N -2.20 0.75 -2.67 -1.68 -0.02 -1.26 -4.74 135.00 123.18 1gkg n PRO 1017Ca 0.13 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 1gkg n PRO 1017Cb 0.50 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 1018N 1.68 4.01 -0.15 0.52 0.04 -1.26 -4.70 135.00 135.14 1gkg s PRO 1018Ca 0.93 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1gkg s PRO 1018Cb -1.13 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 31.33 1gkg s PRO 1018CO 0.60 -0.23 0.32 0.96 0.04 0.00 0.00 177.00 178.68 1gkg s ILE 1019N -2.06 -0.42 -0.08 0.56 -4.36 -0.88 -3.11 121.20 110.86 1gkg s ILE 1019Ca 0.65 0.22 -0.28 0.00 -0.26 0.00 0.00 60.65 60.98 1gkg s ILE 1019Cb -0.13 -0.52 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 1gkg s ILE 1019CO 0.17 0.09 0.92 0.00 0.24 0.00 0.00 174.94 176.36 1gkg s GLN 1021N 1.56 4.47 0.02 0.00 -1.52 0.08 -4.86 119.66 119.40 1gkg s GLN 1021Ca 0.46 1.06 0.12 0.00 -1.95 0.00 0.00 55.36 55.05 1gkg s GLN 1021Cb -0.19 -3.46 0.51 0.00 -0.22 0.00 0.00 33.01 29.65 1gkg s GLN 1021CO 0.20 -0.00 1.38 -2.13 -0.25 0.00 0.00 175.29 174.48 1gkg n ARG 1022N 3.93 0.01 -3.49 2.91 3.00 -1.26 -1.99 116.66 119.77 1gkg n ARG 1022Ca 0.02 0.32 -0.20 0.00 -0.00 0.00 0.00 57.85 57.98 1gkg n ARG 1022Cb 0.51 -1.52 0.03 0.00 0.00 0.00 0.00 32.46 31.47 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 -1.55 -6.87 -1.67 5.15 5.41 -1.26 -4.45 119.36 114.12 1gkg n ILE 1023Ca 0.03 -0.63 -0.49 0.00 1.00 0.00 0.00 62.75 62.66 1gkg n ILE 1023Cb 0.13 -4.99 -0.05 0.00 -0.71 0.00 0.00 39.64 34.03 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1gkg n PRO 1024N -3.15 1.96 -3.11 0.38 -0.02 -1.11 -4.45 135.00 125.50 1gkg n PRO 1024Ca -0.11 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1gkg n PRO 1024Cb 0.59 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1gkg n PRO 1024CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s GLY 1026N -2.93 3.06 0.27 0.00 0.00 -1.10 -4.70 107.32 101.92 1gkg s GLY 1026Ca 0.49 0.80 -0.26 0.00 0.00 0.00 0.00 44.72 45.75 1gkg s GLY 1026CO 0.28 1.38 0.47 1.04 0.00 0.00 0.00 173.10 176.27 1gkg n LEU 1027N 1.18 -1.20 -4.73 0.66 4.77 -1.26 -4.82 117.00 111.60 1gkg n LEU 1027Ca -0.01 1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1gkg n LEU 1027Cb 0.46 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1gkg n LEU 1027CO 0.52 -3.09 1.01 -0.81 -1.33 0.00 0.00 177.39 173.69 1gkg n PRO 1028N 1.01 2.36 -1.40 3.23 -0.04 -1.26 -4.79 135.00 134.11 1gkg n PRO 1028Ca 0.15 0.83 -0.55 0.00 -0.04 0.00 0.00 63.50 63.89 1gkg n PRO 1028Cb 0.30 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 1gkg n PRO 1028CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1gkg n PRO 1029N 0.45 0.00 -2.57 0.54 -0.02 -1.26 -4.85 135.00 127.29 1gkg n PRO 1029Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1gkg n PRO 1029Cb 0.38 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.56 3.90 -0.24 3.45 -4.23 -1.26 -4.82 115.64 112.99 1gkg s THR 1030Ca 0.85 1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 63.06 1gkg s THR 1030Cb -1.19 -4.10 0.12 0.00 1.34 0.00 0.00 72.50 68.67 1gkg s THR 1030CO 0.56 0.34 0.29 -0.51 -0.54 0.00 0.00 174.62 174.76 1gkg s ILE 1031N -0.58 -0.43 0.43 2.99 2.07 -1.26 -4.91 121.20 119.52 1gkg s ILE 1031Ca 0.46 -0.20 -0.25 0.00 -1.41 0.00 0.00 60.65 59.25 1gkg s ILE 1031Cb -0.29 -0.80 -0.08 0.00 0.13 0.00 0.00 42.46 41.43 1gkg s ILE 1031CO 0.35 -0.25 1.32 0.00 -1.91 0.00 0.00 174.94 174.46 1gkg s ALA 1032N 2.40 3.18 0.00 1.50 0.00 -1.26 -2.75 121.76 124.83 1gkg s ALA 1032Ca 0.09 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1gkg s ALA 1032Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1gkg s ALA 1032CO -0.19 -0.95 0.00 0.09 0.00 0.00 0.00 175.76 174.72 1gkg n ASN 1033N -0.12 0.00 -3.91 0.00 4.13 -1.26 -4.84 115.26 109.26 1gkg n ASN 1033Ca 0.05 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.90 1gkg n ASN 1033Cb 0.44 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gkg n GLY 1034N 0.00 2.97 3.73 7.41 0.00 -1.11 -1.23 105.19 116.96 1gkg n GLY 1034Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1gkg n GLY 1034CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkg s ASP 1035N 4.51 6.84 0.37 1.61 1.01 -1.26 -4.69 116.67 125.06 1gkg s ASP 1035Ca 0.55 2.42 -0.16 0.00 0.71 0.00 0.00 52.55 56.07 1gkg s ASP 1035Cb 0.11 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1gkg s ASP 1035CO 0.05 -0.58 0.81 0.72 0.21 0.00 0.00 175.17 176.37 1gkg s PHE 1036N 0.33 3.37 -0.77 4.23 -0.12 -1.26 -3.33 117.98 120.43 1gkg s PHE 1036Ca 0.59 1.32 0.02 0.00 -0.05 0.00 0.00 56.93 58.81 1gkg s PHE 1036Cb -0.37 -2.62 0.34 0.00 -0.63 0.00 0.00 43.02 39.73 1gkg s PHE 1036CO 0.37 -0.00 1.40 -0.89 -0.05 0.00 0.00 175.22 176.05 1gkg n ILE 1037N -0.59 4.30 -1.60 -4.49 2.08 0.24 -4.93 119.36 114.37 1gkg n ILE 1037Ca 0.04 -5.60 0.00 0.00 0.56 0.00 0.00 62.75 57.76 1gkg n ILE 1037Cb 0.53 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 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 -0.22 0.00 0.00 4.38 7.64 -1.26 -4.45 113.62 119.71 1gkg n SER 1038Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1gkg n SER 1038Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1gkg n SER 1038CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1gkg n THR 1039N 0.00 0.00 -3.53 0.44 -2.24 -1.26 -4.86 114.28 102.82 1gkg n THR 1039Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1gkg n THR 1039Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gkg n ASN 1040N 0.00 -4.20 -3.27 3.42 4.13 -1.26 -4.84 115.26 109.24 1gkg n ASN 1040Ca 0.00 -0.59 -0.32 0.00 1.68 0.00 0.00 54.58 55.34 1gkg n ASN 1040Cb 0.00 -5.02 -0.02 0.00 -1.54 0.00 0.00 39.78 33.19 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1gkg n ARG 1041N -4.58 3.05 -3.12 3.52 1.74 -1.26 -4.37 116.66 111.64 1gkg n ARG 1041Ca -0.14 -1.91 -0.19 0.00 -0.77 0.00 0.00 57.85 54.84 1gkg n ARG 1041Cb 0.61 -2.67 0.05 0.00 -1.02 0.00 0.00 32.46 29.43 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gkg n GLU 1042N 3.88 -5.26 -3.56 5.56 -0.58 -1.26 -4.97 120.64 114.45 1gkg n GLU 1042Ca 0.65 0.74 0.03 0.00 -0.42 0.00 0.00 57.16 58.16 1gkg n GLU 1042Cb 0.19 -5.33 -0.06 0.00 -0.57 0.00 0.00 31.44 25.68 1gkg n GLU 1042CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1gkg s ASN 1043N -2.98 -0.02 0.00 1.62 6.03 -1.26 -5.07 114.94 113.25 1gkg s ASN 1043Ca 0.36 0.04 0.00 0.00 -1.03 0.00 0.00 52.86 52.23 1gkg s ASN 1043Cb -0.16 1.01 0.00 0.00 -3.03 0.00 0.00 41.25 39.08 1gkg s ASN 1043CO 0.44 -0.01 0.00 2.22 -2.03 0.00 0.00 177.10 177.73 1gkg n PHE 1044N 3.30 -0.25 0.00 1.54 1.16 -1.26 -4.50 117.46 117.45 1gkg n PHE 1044Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 1gkg n PHE 1044Cb 0.56 0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.48 1gkg n PHE 1044CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1gkg n HIS 1045N -1.46 0.00 0.00 2.97 8.25 -1.26 -4.68 115.22 119.03 1gkg n HIS 1045Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gkg n HIS 1045Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1gkg n TYR 1046N 0.00 0.00 -2.11 4.41 9.36 -1.26 -1.03 117.16 126.53 1gkg n TYR 1046Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1gkg n TYR 1046Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 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 -0.47 -3.87 0.00 2.98 0.00 -1.26 -5.05 105.19 97.51 1gkg n GLY 1047Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.60 0.00 -4.14 1.61 7.64 -1.26 -5.00 113.62 113.07 1gkg n SER 1048Ca -0.10 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 1gkg n SER 1048Cb 0.15 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkg s VAL 1049N -1.36 0.38 -0.09 0.44 0.11 -1.26 -2.53 120.40 116.10 1gkg s VAL 1049Ca 0.00 -1.89 -0.07 0.00 -2.93 0.00 0.00 61.98 57.09 1gkg s VAL 1049Cb 0.00 -1.75 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1gkg s VAL 1049CO 0.00 -0.79 0.23 0.68 -3.33 0.00 0.00 175.10 171.89 1gkg s VAL 1050N -3.83 -0.01 -0.27 2.04 -7.23 -0.58 -4.19 120.40 106.33 1gkg s VAL 1050Ca 0.14 0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.26 1gkg s VAL 1050Cb 0.07 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1gkg s VAL 1050CO -0.04 0.02 0.15 -0.89 -0.31 0.00 0.00 175.10 174.02 1gkg s THR 1051N 0.45 4.95 0.65 5.32 2.01 -1.26 -2.34 115.64 125.42 1gkg s THR 1051Ca -0.03 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 1gkg s THR 1051Cb -0.04 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 1gkg s THR 1051CO -0.02 0.29 1.07 -0.31 -0.69 0.00 0.00 174.62 174.96 1gkg s TYR 1052N 1.68 2.88 0.00 4.92 1.51 0.44 -0.59 117.35 128.18 1gkg s TYR 1052Ca 0.07 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 1gkg s TYR 1052Cb -0.16 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.67 1gkg s TYR 1052CO 0.08 -1.34 0.00 -2.13 -1.11 0.00 0.00 175.55 171.05 1gkg n ARG 1053N -2.47 0.00 -0.95 -0.62 0.63 -1.21 -4.87 116.66 107.17 1gkg n ARG 1053Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1gkg n ARG 1053Cb 0.53 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.30 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg n ASN 1055N -1.71 -1.58 -3.67 0.00 3.02 -0.37 -4.78 115.26 106.18 1gkg n ASN 1055Ca 0.00 0.22 -0.10 0.00 -0.03 0.00 0.00 54.58 54.67 1gkg n ASN 1055Cb 0.18 -1.23 -0.04 0.00 -0.61 0.00 0.00 39.78 38.08 1gkg n ASN 1055CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1gkg s LEU 1056N -2.89 0.17 -0.07 3.41 1.43 -1.26 -4.68 118.68 114.78 1gkg s LEU 1056Ca 0.60 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1gkg s LEU 1056Cb -0.20 2.03 0.00 0.00 0.03 0.00 0.00 46.19 48.05 1gkg s LEU 1056CO 0.65 -0.96 2.27 0.61 0.23 0.00 0.00 176.35 179.15 1gkg n GLY 1057N -0.29 2.93 2.44 -3.19 0.00 -1.26 -4.70 105.19 101.11 1gkg n GLY 1057Ca -0.13 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 1.41 -4.82 -2.51 1.61 2.88 -1.26 -4.68 113.62 106.26 1gkg n SER 1058Ca 0.13 0.40 -0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1gkg n SER 1058Cb 0.58 -4.16 0.07 0.00 -0.75 0.00 0.00 64.21 59.94 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1gkg n ARG 1059N -1.88 0.78 -2.96 -1.46 3.00 -1.26 -4.97 116.66 107.90 1gkg n ARG 1059Ca -0.16 -1.10 -0.20 0.00 -0.00 0.00 0.00 57.85 56.39 1gkg n ARG 1059Cb 0.58 0.08 0.01 0.00 0.00 0.00 0.00 32.46 33.13 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gkg n GLY 1060N -0.71 -0.50 3.77 5.14 0.00 -1.26 -4.91 105.19 106.71 1gkg n GLY 1060Ca -0.13 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1gkg n GLY 1060CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gkg s ARG 1061N -5.60 4.30 -0.50 1.61 3.52 -1.26 -4.91 118.95 116.11 1gkg s ARG 1061Ca 0.24 1.87 -0.27 0.00 -0.13 0.00 0.00 55.73 57.44 1gkg s ARG 1061Cb -0.12 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1gkg s ARG 1061CO 0.30 -0.11 2.08 0.21 -0.81 0.00 0.00 175.30 176.96 1gkg s LYS 1062N -1.95 2.56 -0.42 5.12 2.20 -1.26 -4.15 119.74 121.83 1gkg s LYS 1062Ca 0.52 1.11 0.06 0.00 -0.36 0.00 0.00 55.97 57.30 1gkg s LYS 1062Cb -0.32 -4.43 0.18 0.00 -1.51 0.00 0.00 37.83 31.74 1gkg s LYS 1062CO 0.41 -2.77 0.57 0.54 -0.36 0.00 0.00 175.35 173.74 1gkg s VAL 1063N 9.89 -0.74 0.26 4.02 0.11 -1.26 -4.99 120.40 127.68 1gkg s VAL 1063Ca 0.82 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1gkg s VAL 1063Cb -0.17 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1gkg s VAL 1063CO 0.25 -0.23 0.00 0.49 -3.33 0.00 0.00 175.10 172.29 1gkg n PHE 1064N 3.95 -2.22 -4.23 1.54 3.01 -1.26 -4.52 117.46 113.72 1gkg n PHE 1064Ca 0.14 1.18 -0.19 0.00 1.01 0.00 0.00 57.45 59.59 1gkg n PHE 1064Cb 0.53 -2.28 -0.15 0.00 -0.01 0.00 0.00 39.48 37.57 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N -4.84 0.73 0.55 -1.08 2.02 -1.20 -4.80 118.70 110.07 1gkg s GLU 1065Ca 0.00 -0.19 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 1gkg s GLU 1065Cb 0.00 -0.71 -0.05 0.00 0.10 0.00 0.00 34.13 33.46 1gkg s GLU 1065CO 0.00 0.04 1.16 -1.17 0.02 0.00 0.00 175.26 175.31 1gkg s LEU 1066N 0.36 3.76 -0.05 1.80 2.96 -1.24 0.95 118.68 127.22 1gkg s LEU 1066Ca -0.05 2.25 -0.15 0.00 -0.22 0.00 0.00 54.13 55.96 1gkg s LEU 1066Cb -0.09 -4.54 0.03 0.00 0.50 0.00 0.00 46.19 42.09 1gkg s LEU 1066CO 0.00 -1.28 0.34 -0.69 -1.32 0.00 0.00 176.35 173.40 1gkg s VAL 1067N -1.70 0.04 0.00 1.68 1.01 0.16 -4.87 120.40 116.73 1gkg s VAL 1067Ca 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1gkg s VAL 1067Cb -0.26 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1gkg s VAL 1067CO 0.29 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1gkg n GLY 1068N 1.70 2.23 3.64 4.51 0.00 -1.26 -1.68 105.19 114.33 1gkg n GLY 1068Ca -0.19 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 1gkg n GLY 1068CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gkg s GLU 1069N 0.00 0.44 0.00 1.61 -1.05 -1.26 -5.04 118.70 113.40 1gkg s GLU 1069Ca 0.00 0.73 0.22 0.00 -0.15 0.00 0.00 54.97 55.77 1gkg s GLU 1069Cb 0.00 0.10 0.58 0.00 -0.44 0.00 0.00 34.13 34.37 1gkg s GLU 1069CO 0.00 -0.09 1.49 -0.35 0.95 0.00 0.00 175.26 177.26 1gkg n PRO 1070N 3.65 2.56 -3.65 -4.83 -0.04 -1.26 -4.75 135.00 126.68 1gkg n PRO 1070Ca -0.18 -2.41 -0.14 0.00 -0.04 0.00 0.00 63.50 60.72 1gkg n PRO 1070Cb 0.58 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.12 -0.60 -0.05 3.54 0.01 -1.26 -0.42 113.70 113.81 1gkg s SER 1071Ca 0.44 1.03 -0.14 0.00 1.31 0.00 0.00 55.95 58.60 1gkg s SER 1071Cb 0.24 1.03 0.03 0.00 0.21 0.00 0.00 66.02 67.52 1gkg s SER 1071CO 0.31 -0.31 0.31 0.27 0.41 0.00 0.00 173.24 174.24 1gkg s ILE 1072N -0.11 0.04 -0.04 1.44 -4.36 -0.99 -4.97 121.20 112.21 1gkg s ILE 1072Ca -0.03 -0.34 -0.21 0.00 -0.26 0.00 0.00 60.65 59.81 1gkg s ILE 1072Cb -0.03 -0.57 0.04 0.00 1.25 0.00 0.00 42.46 43.15 1gkg s ILE 1072CO 0.03 -0.19 0.45 -0.72 0.24 0.00 0.00 174.94 174.75 1gkg s TYR 1073N -0.90 -0.37 0.61 1.37 -0.85 -1.26 -1.53 117.35 114.43 1gkg s TYR 1073Ca -0.10 0.64 -0.18 0.00 -0.52 0.00 0.00 57.07 56.91 1gkg s TYR 1073Cb -0.04 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1gkg s TYR 1073CO 0.03 -0.46 1.20 0.00 -1.52 0.00 0.00 175.55 174.81 1gkg n THR 1075N -1.76 0.00 -3.45 0.00 5.66 -1.19 -4.61 114.28 108.93 1gkg n THR 1075Ca 0.13 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.96 1gkg n THR 1075Cb 0.50 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.36 1gkg n THR 1075CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1gkg n SER 1076N -0.27 -2.42 0.29 1.09 2.88 -1.17 -4.95 113.62 109.07 1gkg n SER 1076Ca 0.00 -0.66 -0.13 0.00 -1.33 0.00 0.00 58.87 56.75 1gkg n SER 1076Cb 0.00 -4.97 -0.07 0.00 -0.75 0.00 0.00 64.21 58.42 1gkg n SER 1076CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1gkg h ASN 1077N -1.81 -0.67 -0.17 -3.46 -0.00 -1.86 -3.31 115.58 104.30 1gkg h ASN 1077Ca -0.60 -0.01 -0.63 0.00 -0.00 0.00 0.00 56.30 55.07 1gkg h ASN 1077Cb 1.34 0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 39.83 1gkg h ASN 1077CO 0.50 -0.28 3.18 0.47 -0.00 0.00 0.00 177.43 181.31 1gkg n ASP 1078N -5.31 8.29 0.00 6.14 9.92 -1.26 -4.93 116.55 129.40 1gkg n ASP 1078Ca -0.11 -2.65 0.00 0.00 -0.53 0.00 0.00 54.79 51.51 1gkg n ASP 1078Cb 0.33 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.29 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1gkg n ASP 1079N 3.18 0.00 -1.65 -2.24 9.92 -1.25 -4.65 116.55 119.86 1gkg n ASP 1079Ca 0.73 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 1gkg n ASP 1079Cb 0.31 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gkg n GLN 1080N 13.62 2.78 0.00 -1.24 1.13 -1.26 -4.36 117.38 128.04 1gkg n GLN 1080Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1gkg n GLN 1080Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1gkg n VAL 1081N 0.00 0.00 -2.83 5.09 0.31 -1.26 -4.25 118.33 115.39 1gkg n VAL 1081Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1gkg n VAL 1081Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 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 -0.33 3.73 2.92 0.00 -1.26 -3.22 105.19 107.03 1gkg n GLY 1082Ca 0.00 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.26 4.71 0.64 -0.61 1.01 -1.26 -2.72 121.20 119.72 1gkg s ILE 1083Ca 0.17 1.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.63 1gkg s ILE 1083Cb -0.02 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1gkg s ILE 1083CO 0.50 0.28 0.98 0.26 0.00 0.00 0.00 174.94 176.96 1gkg s TRP 1084N 0.33 3.24 0.49 3.97 0.52 -1.26 -3.04 118.94 123.18 1gkg s TRP 1084Ca 0.45 0.75 0.23 0.00 0.02 0.00 0.00 56.10 57.55 1gkg s TRP 1084Cb -0.21 -2.90 1.28 0.00 -1.15 0.00 0.00 33.47 30.49 1gkg s TRP 1084CO 0.26 -1.01 1.94 0.66 0.02 0.00 0.00 176.95 178.83 1gkg h SER 1085N -0.38 0.15 -4.23 2.95 4.64 -1.91 -3.44 113.55 111.33 1gkg h SER 1085Ca -0.45 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 1gkg h SER 1085Cb 1.26 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.11 1gkg h SER 1085CO 0.62 0.08 0.45 -0.83 -0.87 0.00 0.00 176.83 176.28 1gkg s GLY 1086N -3.93 -0.33 0.00 -0.77 0.00 -1.26 -5.11 107.32 95.92 1gkg s GLY 1086Ca -0.06 1.93 0.00 0.00 0.00 0.00 0.00 44.72 46.59 1gkg s GLY 1086CO 0.75 1.10 0.00 -1.55 0.00 0.00 0.00 173.10 173.40 1gkg n PRO 1087N 0.93 1.64 -2.59 2.90 -0.04 -1.26 -4.87 135.00 131.70 1gkg n PRO 1087Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1gkg n PRO 1087Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg s ALA 1088N -2.33 3.34 0.00 0.55 0.00 -1.26 -4.85 121.76 117.22 1gkg s ALA 1088Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1gkg s ALA 1088Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1gkg s ALA 1088CO 0.00 -0.09 0.00 -2.30 0.00 0.00 0.00 175.76 173.37 1gkg n PRO 1089N 2.15 1.75 -3.59 0.00 -0.02 -1.26 -5.07 135.00 128.96 1gkg n PRO 1089Ca 0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 1gkg n PRO 1089Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.81 1gkg n PRO 1089CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1gkg s GLN 1090N 0.00 0.13 -1.12 -0.52 -1.52 -0.67 -4.94 119.66 111.02 1gkg s GLN 1090Ca 0.00 0.47 -0.03 0.00 -1.95 0.00 0.00 55.36 53.84 1gkg s GLN 1090Cb 0.00 -0.59 0.27 0.00 -0.22 0.00 0.00 33.01 32.47 1gkg s GLN 1090CO 0.00 -0.44 1.82 0.00 -0.25 0.00 0.00 175.29 176.42