#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 -2.65 0.62 0.00 -1.26 -4.58 120.51 112.64 1gkg n ALA 958 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1gkg n ALA 958 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1gkg n ALA 958 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gkg n GLU 959 N 14.00 0.53 -0.90 0.00 0.28 -1.26 -5.03 120.64 128.27 1gkg n GLU 959 Ca 0.00 -0.96 -0.14 0.00 -0.16 0.00 0.00 57.16 55.91 1gkg n GLU 959 Cb 0.00 0.02 -0.13 0.00 1.43 0.00 0.00 31.44 32.77 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gkg n ALA 960 N -0.57 5.77 -1.79 -1.84 0.00 -1.26 -4.91 120.51 115.90 1gkg n ALA 960 Ca -0.17 -1.79 -0.36 0.00 0.00 0.00 0.00 53.44 51.12 1gkg n ALA 960 Cb 0.70 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1gkg n ALA 960 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gkg s LYS 961 N 1.49 4.26 -0.18 0.00 1.02 -1.26 -5.06 119.74 120.01 1gkg s LYS 961 Ca 0.58 1.36 -0.24 0.00 0.02 0.00 0.00 55.97 57.68 1gkg s LYS 961 Cb 0.26 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 1gkg s LYS 961 CO -0.01 -0.03 0.63 -1.54 -0.92 0.00 0.00 175.35 173.49 1gkg s SER 962 N -1.76 -0.64 0.37 2.83 1.04 -1.26 -4.05 113.70 110.23 1gkg s SER 962 Ca 0.58 1.07 -0.24 0.00 0.48 0.00 0.00 55.95 57.84 1gkg s SER 962 Cb -0.17 1.05 -0.10 0.00 0.10 0.00 0.00 66.02 66.89 1gkg s SER 962 CO 0.22 -0.34 0.95 0.00 0.98 0.00 0.00 173.24 175.05 1gkg s LYS 964 N -2.55 4.24 0.09 0.00 2.20 -1.26 -4.81 119.74 117.64 1gkg s LYS 964 Ca 0.55 2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 58.24 1gkg s LYS 964 Cb -0.14 -3.03 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 1gkg s LYS 964 CO 0.19 -0.37 1.45 0.99 -0.36 0.00 0.00 175.35 177.25 1gkg s THR 965 N -1.00 3.28 0.05 3.43 2.01 -1.26 -4.97 115.64 117.18 1gkg s THR 965 Ca 0.52 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 63.06 1gkg s THR 965 Cb -0.43 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1gkg s THR 965 CO 0.56 0.04 1.39 -2.84 -0.69 0.00 0.00 174.62 173.09 1gkg s PRO 966 N 1.64 4.30 0.06 4.92 0.02 -1.26 -4.96 135.00 139.73 1gkg s PRO 966 Ca 0.66 2.01 -0.37 0.00 0.02 0.00 0.00 61.00 63.32 1gkg s PRO 966 Cb -0.37 -3.43 -0.21 0.00 0.02 0.00 0.00 34.50 30.51 1gkg s PRO 966 CO 0.30 -0.51 1.56 -1.00 -0.33 0.00 0.00 177.00 177.02 1gkg h PRO 967 N 7.39 -1.30 0.00 5.54 0.13 -2.01 -3.47 132.00 138.27 1gkg h PRO 967 Ca -0.40 0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1gkg h PRO 967 Cb 1.19 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.62 1gkg h PRO 967 CO 0.88 -0.87 0.00 -0.40 -0.23 0.00 0.00 178.00 177.38 1gkg n ASP 968 N -5.64 0.00 -4.74 1.44 5.75 -1.26 -4.97 116.55 107.12 1gkg n ASP 968 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.20 1gkg n ASP 968 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1gkg s PRO 969 N 0.00 4.29 -0.06 0.11 0.02 -1.26 -4.90 135.00 133.20 1gkg s PRO 969 Ca 0.00 2.25 -0.38 0.00 0.02 0.00 0.00 61.00 62.89 1gkg s PRO 969 Cb 0.00 -3.13 -0.16 0.00 0.02 0.00 0.00 34.50 31.24 1gkg s PRO 969 CO 0.00 -0.38 1.55 1.55 -0.33 0.00 0.00 177.00 179.39 1gkg n VAL 970 N 2.39 0.16 0.00 3.83 3.14 -1.26 -2.35 118.33 124.23 1gkg n VAL 970 Ca 0.07 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1gkg n VAL 970 Cb 0.41 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1gkg n ASN 971 N 3.99 0.00 -2.84 6.55 3.02 -1.26 -3.58 115.26 121.14 1gkg n ASN 971 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1gkg n ASN 971 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 972 N 0.00 -0.80 3.64 7.41 0.00 -0.99 -3.82 105.19 110.62 1gkg n GLY 972 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.46 0.76 0.40 1.61 1.75 0.05 -4.16 119.30 119.25 1gkg s MET 973 Ca 0.00 1.08 -0.19 0.00 -1.25 0.00 0.00 55.69 55.34 1gkg s MET 973 Cb 0.00 0.27 -0.10 0.00 2.84 0.00 0.00 34.83 37.84 1gkg s MET 973 CO 0.00 -0.12 0.89 0.54 -0.65 0.00 0.00 175.02 175.68 1gkg s VAL 974 N 0.98 4.48 -0.38 10.11 0.11 -1.26 -1.96 120.40 132.49 1gkg s VAL 974 Ca -0.05 1.31 0.01 0.00 -2.93 0.00 0.00 61.98 60.33 1gkg s VAL 974 Cb -0.05 -3.61 0.11 0.00 -1.53 0.00 0.00 36.38 31.30 1gkg s VAL 974 CO -0.09 -0.30 0.12 -1.00 -3.33 0.00 0.00 175.10 170.50 1gkg s HIS 975 N -2.15 3.68 -1.07 1.54 3.76 0.17 -4.96 115.29 116.27 1gkg s HIS 975 Ca 0.59 -2.79 -0.22 0.00 -0.15 0.00 0.00 55.06 52.49 1gkg s HIS 975 Cb -0.09 -3.04 -0.00 0.00 1.11 0.00 0.00 32.58 30.55 1gkg s HIS 975 CO 0.15 -0.95 1.75 0.54 -0.85 0.00 0.00 174.74 175.38 1gkg s VAL 976 N 0.93 3.75 0.00 -0.90 0.11 -1.26 -2.48 120.40 120.55 1gkg s VAL 976 Ca 0.10 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1gkg s VAL 976 Cb -0.21 -4.68 0.00 0.00 -1.53 0.00 0.00 36.38 29.96 1gkg s VAL 976 CO -0.06 -1.48 0.00 -0.38 -3.33 0.00 0.00 175.10 169.84 1gkg n ILE 977 N 7.26 0.00 -2.51 7.04 5.41 -1.26 -4.57 119.36 130.73 1gkg n ILE 977 Ca 0.40 0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.75 1gkg n ILE 977 Cb 0.48 -0.27 -0.00 0.00 -0.71 0.00 0.00 39.64 39.14 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 3.89 -3.03 1.39 -2.24 -1.26 -4.91 114.28 108.12 1gkg n THR 978 Ca 0.00 -4.00 0.00 0.00 -2.27 0.00 0.00 64.05 57.78 1gkg n THR 978 Cb 0.00 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 65.86 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 8.31 0.00 -0.72 3.42 9.92 -1.26 -4.45 116.55 131.76 1gkg n ASP 979 Ca 0.49 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.73 1gkg n ASP 979 Cb 0.45 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.21 0.53 -5.35 -1.26 -4.86 119.36 106.21 1gkg n ILE 980 Ca 0.00 -0.08 -0.26 0.00 -0.27 0.00 0.00 62.75 62.15 1gkg n ILE 980 Cb 0.00 0.29 0.07 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.00 2.21 0.41 6.28 -0.21 -1.26 -0.86 119.66 126.23 1gkg s GLN 981 Ca 0.03 -0.27 -0.22 0.00 0.02 0.00 0.00 55.36 54.92 1gkg s GLN 981 Cb 0.03 -2.18 -0.14 0.00 1.00 0.00 0.00 33.01 31.73 1gkg s GLN 981 CO -0.01 -1.22 0.42 0.28 -2.12 0.00 0.00 175.29 172.63 1gkg n VAL 982 N -2.91 1.48 0.00 1.09 0.31 -1.26 -1.74 118.33 115.30 1gkg n VAL 982 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1gkg n VAL 982 Cb 0.60 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 1.94 1.16 3.68 2.92 0.00 0.34 -4.88 105.19 110.35 1gkg n GLY 983 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1gkg n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gkg s SER 984 N 0.00 6.74 -0.14 1.61 1.04 -0.71 -4.61 113.70 117.63 1gkg s SER 984 Ca 0.00 2.23 -0.06 0.00 0.48 0.00 0.00 55.95 58.59 1gkg s SER 984 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1gkg s SER 984 CO 0.00 -0.82 0.08 -0.60 0.98 0.00 0.00 173.24 172.89 1gkg s ARG 985 N 2.91 3.58 0.02 4.02 3.52 -1.26 -2.36 118.95 129.39 1gkg s ARG 985 Ca 0.68 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1gkg s ARG 985 Cb -0.34 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1gkg s ARG 985 CO 0.28 0.56 0.03 0.44 -0.81 0.00 0.00 175.30 175.80 1gkg n ILE 986 N 2.66 0.00 -3.68 4.11 -5.35 -0.95 -4.56 119.36 111.58 1gkg n ILE 986 Ca -0.18 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 1gkg n ILE 986 Cb 0.53 -1.21 -0.12 0.00 -1.74 0.00 0.00 39.64 37.11 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 0.43 -0.31 0.19 7.28 -4.23 -1.03 -3.62 115.64 114.35 1gkg s THR 987 Ca 0.02 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1gkg s THR 987 Cb -0.00 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1gkg s THR 987 CO 0.01 0.08 0.37 -0.31 -0.54 0.00 0.00 174.62 174.24 1gkg s TYR 988 N 2.02 3.48 -0.26 3.99 1.51 0.09 0.45 117.35 128.64 1gkg s TYR 988 Ca -0.03 0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 56.23 1gkg s TYR 988 Cb -0.11 -1.84 0.09 0.00 -0.11 0.00 0.00 41.96 39.99 1gkg s TYR 988 CO -0.10 0.41 0.60 -1.12 -1.11 0.00 0.00 175.55 174.23 1gkg s SER 989 N -3.10 -0.85 0.29 2.29 0.01 -0.83 -4.67 113.70 106.84 1gkg s SER 989 Ca 0.38 1.37 -0.17 0.00 1.31 0.00 0.00 55.95 58.83 1gkg s SER 989 Cb -0.11 1.52 -0.09 0.00 0.21 0.00 0.00 66.02 67.55 1gkg s SER 989 CO 0.29 -0.23 0.75 0.00 0.41 0.00 0.00 173.24 174.46 1gkg s THR 991 N -1.82 2.03 0.31 0.00 -1.32 -1.25 -4.90 115.64 108.70 1gkg s THR 991 Ca 0.51 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.71 1gkg s THR 991 Cb -0.13 -2.03 -0.13 0.00 -1.51 0.00 0.00 72.50 68.71 1gkg s THR 991 CO 0.19 -0.01 1.35 0.41 -2.21 0.00 0.00 174.62 174.34 1gkg n THR 992 N -4.52 1.65 -2.96 5.08 -1.04 -1.26 -2.88 114.28 108.35 1gkg n THR 992 Ca 0.09 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.05 61.58 1gkg n THR 992 Cb 0.53 -1.58 0.03 0.00 -1.82 0.00 0.00 70.33 67.49 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkg n GLY 993 N 1.23 0.32 3.29 3.41 0.00 -1.26 -5.05 105.19 107.13 1gkg n GLY 993 Ca 0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.14 -0.46 -0.08 1.61 4.02 -1.14 -4.83 115.29 111.28 1gkg s HIS 994 Ca 0.25 1.09 -0.28 0.00 1.02 0.00 0.00 55.06 57.14 1gkg s HIS 994 Cb -0.11 0.16 -0.02 0.00 -1.02 0.00 0.00 32.58 31.59 1gkg s HIS 994 CO 0.31 -0.23 0.91 0.50 1.02 0.00 0.00 174.74 177.25 1gkg s ARG 995 N 0.38 4.44 -0.21 1.40 3.52 -0.91 -4.81 118.95 122.76 1gkg s ARG 995 Ca -0.01 1.24 -0.29 0.00 -0.13 0.00 0.00 55.73 56.53 1gkg s ARG 995 Cb -0.04 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1gkg s ARG 995 CO -0.01 -0.18 1.23 -1.17 -0.81 0.00 0.00 175.30 174.36 1gkg s LEU 996 N 1.55 4.09 0.00 -0.88 0.20 -1.26 0.31 118.68 122.69 1gkg s LEU 996 Ca 0.45 1.51 -0.13 0.00 0.69 0.00 0.00 54.13 56.66 1gkg s LEU 996 Cb -0.19 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 41.98 1gkg s LEU 996 CO 0.20 -0.83 0.38 -0.63 -0.29 0.00 0.00 176.35 175.18 1gkg s ILE 997 N 3.67 5.09 0.14 6.68 -1.09 0.92 -4.84 121.20 131.77 1gkg s ILE 997 Ca 0.53 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1gkg s ILE 997 Cb -0.19 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1gkg s ILE 997 CO 0.15 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 1gkg n GLY 998 N 1.68 -1.69 3.70 6.18 0.00 -1.26 -1.28 105.19 112.51 1gkg n GLY 998 Ca -0.14 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N -1.73 3.29 -0.36 1.61 3.76 -1.26 -4.88 115.29 115.72 1gkg s HIS 999 Ca 0.00 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1gkg s HIS 999 Cb 0.00 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.28 1gkg s HIS 999 CO 0.00 -1.28 0.78 -1.13 -0.85 0.00 0.00 174.74 172.26 1gkg n SER 1000N 4.66 2.16 -3.63 1.40 3.41 -1.26 -4.62 113.62 115.75 1gkg n SER 1000Ca 0.10 -1.90 -0.13 0.00 -0.26 0.00 0.00 58.87 56.68 1gkg n SER 1000Cb 0.46 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.62 -0.67 -0.23 4.04 1.04 -1.26 -0.73 113.70 116.51 1gkg s SER 1001Ca 0.00 1.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 1gkg s SER 1001Cb 0.00 1.27 0.08 0.00 0.10 0.00 0.00 66.02 67.47 1gkg s SER 1001CO 0.00 -0.24 0.56 0.00 0.98 0.00 0.00 173.24 174.54 1gkg s ALA 1002N 0.27 -1.51 -0.09 5.32 0.00 -1.24 -4.82 121.76 119.69 1gkg s ALA 1002Ca 0.00 2.00 -0.20 0.00 0.00 0.00 0.00 51.96 53.77 1gkg s ALA 1002Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1gkg s ALA 1002CO -0.01 -0.41 0.55 -2.00 0.00 0.00 0.00 175.76 173.90 1gkg s GLU 1003N 1.72 4.36 0.11 0.00 2.12 -1.26 -2.24 118.70 123.51 1gkg s GLU 1003Ca -0.09 0.61 -0.31 0.00 0.36 0.00 0.00 54.97 55.54 1gkg s GLU 1003Cb -0.07 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 1gkg s GLU 1003CO -0.17 0.17 1.49 0.00 -0.54 0.00 0.00 175.26 176.21 1gkg n ILE 1005N 4.18 0.00 -3.67 0.00 -5.35 -0.43 -0.51 119.36 113.58 1gkg n ILE 1005Ca 0.13 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.45 1gkg n ILE 1005Cb 0.41 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.16 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 -0.09 -0.16 7.28 1.98 -1.26 -2.11 118.68 124.32 1gkg s LEU 1006Ca 0.00 0.38 -0.22 0.00 -2.89 0.00 0.00 54.13 51.41 1gkg s LEU 1006Cb 0.00 0.36 -0.24 0.00 0.66 0.00 0.00 46.19 46.98 1gkg s LEU 1006CO 0.00 -0.24 0.48 -1.28 -1.89 0.00 0.00 176.35 173.42 1gkg h SER 1007N 8.30 0.13 0.00 3.68 0.87 -1.82 -3.47 113.55 121.24 1gkg h SER 1007Ca -0.15 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1gkg h SER 1007Cb 1.12 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1gkg h SER 1007CO 0.15 1.40 0.00 0.61 -0.53 0.00 0.00 176.83 178.47 1gkg n GLY 1008N 1.58 -0.36 0.07 5.77 0.00 -1.26 -5.00 105.19 105.99 1gkg n GLY 1008Ca -0.24 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1gkg n GLY 1008CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gkg h ASN 1009N 0.00 -0.00 -0.28 1.61 -1.24 -2.02 -3.50 115.58 110.15 1gkg h ASN 1009Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.16 1gkg h ASN 1009Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1gkg h ASN 1009CO 0.00 0.92 0.00 1.07 -1.29 0.00 0.00 177.43 178.13 1gkg n THR 1010N -4.64 0.00 -2.53 -3.57 5.66 -1.26 -5.15 114.28 102.80 1gkg n THR 1010Ca -0.09 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.52 1gkg n THR 1010Cb 0.41 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1gkg n THR 1010CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gkg s ALA 1011N -1.44 3.36 -0.08 1.79 0.00 -1.26 -2.81 121.76 121.32 1gkg s ALA 1011Ca 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1gkg s ALA 1011Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1gkg s ALA 1011CO 0.00 -0.11 0.33 -1.01 0.00 0.00 0.00 175.76 174.97 1gkg s HIS 1012N -1.23 -0.28 0.24 0.00 3.76 -0.90 -4.42 115.29 112.45 1gkg s HIS 1012Ca 0.46 0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 55.68 1gkg s HIS 1012Cb -0.30 0.11 -0.10 0.00 1.11 0.00 0.00 32.58 33.41 1gkg s HIS 1012CO 0.38 -0.28 1.38 -1.58 -0.85 0.00 0.00 174.74 173.80 1gkg s TRP 1013N -0.51 3.11 0.64 1.40 0.52 -1.26 -1.32 118.94 121.51 1gkg s TRP 1013Ca -0.06 1.13 0.28 0.00 0.02 0.00 0.00 56.10 57.47 1gkg s TRP 1013Cb -0.04 -3.73 1.51 0.00 -1.15 0.00 0.00 33.47 30.07 1gkg s TRP 1013CO 0.02 -2.32 1.88 0.66 0.02 0.00 0.00 176.95 177.21 1gkg h SER 1014N 5.02 0.00 -4.10 2.95 4.64 -1.75 -3.40 113.55 116.91 1gkg h SER 1014Ca -0.46 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.43 1gkg h SER 1014Cb 1.22 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.02 1gkg h SER 1014CO 0.77 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 176.35 1gkg s THR 1015N -4.29 0.88 0.46 2.95 -4.23 -1.26 -5.02 115.64 105.13 1gkg s THR 1015Ca -0.04 -0.47 -0.23 0.00 -1.18 0.00 0.00 61.69 59.78 1gkg s THR 1015Cb 0.11 -0.73 -0.10 0.00 1.34 0.00 0.00 72.50 73.12 1gkg s THR 1015CO 0.37 0.25 0.91 2.29 -0.54 0.00 0.00 174.62 177.90 1gkg n LYS 1016N 2.82 1.12 -1.48 3.99 0.00 -1.26 -4.71 118.16 118.65 1gkg n LYS 1016Ca -0.14 0.41 -0.44 0.00 -0.00 0.00 0.00 58.31 58.14 1gkg n LYS 1016Cb 0.56 -1.98 -0.09 0.00 -0.00 0.00 0.00 35.03 33.52 1gkg n LYS 1016CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1gkg n PRO 1017N -0.02 0.59 -1.78 -1.58 -0.04 -1.26 -4.76 135.00 126.15 1gkg n PRO 1017Ca 0.11 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 1gkg n PRO 1017Cb 0.41 -2.31 0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1gkg s PRO 1018N 7.74 2.62 0.00 0.54 0.04 -1.26 -5.00 135.00 139.68 1gkg s PRO 1018Ca 1.17 1.92 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1gkg s PRO 1018Cb -0.87 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1gkg s PRO 1018CO 0.44 -1.51 0.00 0.44 0.04 0.00 0.00 177.00 176.42 1gkg n ILE 1019N -1.95 0.00 -3.67 0.56 -5.35 -0.41 -4.71 119.36 103.84 1gkg n ILE 1019Ca 0.15 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.49 1gkg n ILE 1019Cb 0.49 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 38.26 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 1021N 2.26 4.45 -0.28 0.00 2.00 0.15 -4.85 119.66 123.38 1gkg s GLN 1021Ca -0.00 1.12 -0.28 0.00 -2.00 0.00 0.00 55.36 54.21 1gkg s GLN 1021Cb -0.12 -3.48 0.01 0.00 0.80 0.00 0.00 33.01 30.22 1gkg s GLN 1021CO -0.08 -0.08 1.00 0.50 -0.50 0.00 0.00 175.29 176.12 1gkg s ARG 1022N 1.23 4.11 -0.30 1.67 3.52 -1.26 -2.15 118.95 125.78 1gkg s ARG 1022Ca 0.43 1.06 -0.29 0.00 -0.13 0.00 0.00 55.73 56.81 1gkg s ARG 1022Cb -0.19 -3.70 -0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1gkg s ARG 1022CO 0.20 -0.75 1.59 0.42 -0.81 0.00 0.00 175.30 175.95 1gkg s ILE 1023N 3.33 3.72 -0.04 4.11 1.01 -1.26 -4.98 121.20 127.09 1gkg s ILE 1023Ca 0.42 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 1gkg s ILE 1023Cb -0.14 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1gkg s ILE 1023CO 0.11 -0.45 1.09 -2.16 0.00 0.00 0.00 174.94 173.53 1gkg s PRO 1024N 4.97 4.44 0.00 2.79 0.04 -1.23 -4.34 135.00 141.66 1gkg s PRO 1024Ca 0.70 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1gkg s PRO 1024Cb -0.21 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1gkg s PRO 1024CO 0.31 -0.28 0.00 0.00 0.04 0.00 0.00 177.00 177.06 1gkg s GLY 1026N 0.00 -0.57 0.18 0.00 0.00 -1.25 -4.89 107.32 100.80 1gkg s GLY 1026Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 44.72 45.42 1gkg s GLY 1026CO 0.00 0.59 0.75 1.04 0.00 0.00 0.00 173.10 175.48 1gkg n LEU 1027N 0.29 -0.28 -4.66 0.66 4.77 -1.26 -4.85 117.00 111.66 1gkg n LEU 1027Ca -0.17 1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 56.56 1gkg n LEU 1027Cb 0.61 -1.03 0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1gkg n LEU 1027CO 0.18 -2.39 0.73 -0.81 -1.33 0.00 0.00 177.39 173.76 1gkg n PRO 1028N 1.11 1.34 -1.40 3.23 -0.04 -1.26 -4.77 135.00 133.22 1gkg n PRO 1028Ca 0.17 0.50 -0.52 0.00 -0.04 0.00 0.00 63.50 63.61 1gkg n PRO 1028Cb 0.24 -2.30 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 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 -0.68 0.68 -2.52 0.54 -0.02 -1.26 -4.86 135.00 126.88 1gkg n PRO 1029Ca 0.11 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 1gkg n PRO 1029Cb 0.44 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 7.33 4.33 -0.44 3.45 -4.23 -1.26 -4.78 115.64 120.04 1gkg s THR 1030Ca 1.14 1.54 0.04 0.00 -1.18 0.00 0.00 61.69 63.23 1gkg s THR 1030Cb -1.04 -4.24 0.67 0.00 1.34 0.00 0.00 72.50 69.23 1gkg s THR 1030CO 0.53 -0.41 1.90 2.30 -0.54 0.00 0.00 174.62 178.40 1gkg n ILE 1031N 5.91 3.18 -1.97 2.99 -5.35 -1.26 -5.01 119.36 117.85 1gkg n ILE 1031Ca 0.13 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.69 1gkg n ILE 1031Cb 0.46 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.08 -1.76 -1.08 -1.28 0.00 -1.26 -4.45 120.51 109.60 1gkg n ALA 1032Ca 0.58 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 54.38 1gkg n ALA 1032Cb 1.65 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 1.75 -4.49 -4.74 0.00 3.02 -1.26 -4.94 115.26 104.59 1gkg n ASN 1033Ca 0.00 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1gkg n ASN 1033Cb 0.00 -2.23 -0.02 0.00 -0.61 0.00 0.00 39.78 36.92 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 1034N -2.21 2.22 0.21 7.41 0.00 -1.26 -1.54 107.32 112.14 1gkg s GLY 1034Ca 0.00 1.36 -0.04 0.00 0.00 0.00 0.00 44.72 46.04 1gkg s GLY 1034CO 0.00 2.35 1.59 -1.80 0.00 0.00 0.00 173.10 175.24 1gkg h ASP 1035N 5.20 0.75 -4.66 1.64 1.82 -1.89 -3.45 116.42 115.82 1gkg h ASP 1035Ca -0.46 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 1gkg h ASP 1035Cb 1.22 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1gkg h ASP 1035CO 0.79 1.01 -1.00 0.33 -1.61 0.00 0.00 179.24 178.76 1gkg n PHE 1036N -4.07 -4.54 -3.88 0.28 7.35 -1.26 -5.00 117.46 106.34 1gkg n PHE 1036Ca -0.01 2.70 -0.19 0.00 -0.76 0.00 0.00 57.45 59.19 1gkg n PHE 1036Cb 0.49 -3.76 -0.01 0.00 0.35 0.00 0.00 39.48 36.55 1gkg n PHE 1036CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1gkg n ILE 1037N 1.72 0.00 0.00 -2.13 5.41 -0.80 -4.93 119.36 118.64 1gkg n ILE 1037Ca -0.05 -1.55 0.00 0.00 1.00 0.00 0.00 62.75 62.15 1gkg n ILE 1037Cb 0.08 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1gkg n SER 1038N -1.79 0.00 -3.81 4.38 2.88 -1.26 -3.43 113.62 110.59 1gkg n SER 1038Ca -0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 1gkg n SER 1038Cb 0.44 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.78 1gkg n SER 1038CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gkg s THR 1039N 0.00 0.00 0.17 2.46 -4.23 -1.21 -5.02 115.64 107.82 1gkg s THR 1039Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1gkg s THR 1039Cb 0.00 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.58 1gkg s THR 1039CO 0.00 -0.01 0.00 -3.20 -0.54 0.00 0.00 174.62 170.87 1gkg n ASN 1040N 2.94 -1.52 0.00 3.99 2.85 -1.26 -3.04 115.26 119.22 1gkg n ASN 1040Ca -0.13 0.49 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1gkg n ASN 1040Cb 0.59 1.65 0.00 0.00 1.24 0.00 0.00 39.78 43.26 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1gkg n ARG 1041N -2.92 0.00 0.03 1.20 1.74 -1.26 -3.25 116.66 112.20 1gkg n ARG 1041Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1gkg n ARG 1041Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1gkg n ARG 1041CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1gkg h GLU 1042N 0.00 0.28 -6.92 5.56 5.08 -2.05 -3.46 114.58 113.07 1gkg h GLU 1042Ca 0.00 -0.43 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 1gkg h GLU 1042Cb 0.00 0.15 0.08 0.00 0.50 0.00 0.00 28.75 29.48 1gkg h GLU 1042CO 0.00 1.18 0.63 0.54 -1.00 0.00 0.00 179.01 180.36 1gkg s ASN 1043N -6.82 6.48 -0.29 1.42 2.20 -1.20 -4.88 114.94 111.85 1gkg s ASN 1043Ca -0.14 2.68 0.11 0.00 -0.94 0.00 0.00 52.86 54.57 1gkg s ASN 1043Cb 0.01 -2.64 0.34 0.00 -2.00 0.00 0.00 41.25 36.96 1gkg s ASN 1043CO 0.81 -0.73 1.38 2.22 -2.94 0.00 0.00 177.10 177.84 1gkg n PHE 1044N 0.39 -1.75 -0.35 1.54 1.16 -1.26 -4.75 117.46 112.43 1gkg n PHE 1044Ca 0.02 -1.45 0.09 0.00 -1.87 0.00 0.00 57.45 54.24 1gkg n PHE 1044Cb 0.43 1.41 0.26 0.00 -1.61 0.00 0.00 39.48 39.96 1gkg n PHE 1044CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1gkg h HIS 1045N 0.85 1.09 0.00 2.97 3.86 -1.90 -2.48 115.15 119.55 1gkg h HIS 1045Ca -0.38 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1gkg h HIS 1045Cb 1.25 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1gkg h HIS 1045CO -0.10 0.37 0.00 0.98 0.86 0.00 0.00 177.93 180.04 1gkg n TYR 1046N -4.68 0.00 0.00 2.45 9.36 -1.26 -1.73 117.16 121.29 1gkg n TYR 1046Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1gkg n TYR 1046Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 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 -0.32 2.75 3.55 2.98 0.00 -1.26 -4.98 105.19 107.91 1gkg n GLY 1047Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.50 0.71 -4.10 1.61 7.64 -1.26 -4.71 113.62 114.01 1gkg n SER 1048Ca 0.00 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.96 1gkg n SER 1048Cb 0.00 -1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 61.89 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 -1.01 0.40 -0.19 0.44 0.11 -1.17 -2.24 120.40 116.73 1gkg s VAL 1049Ca 0.60 -1.66 -0.15 0.00 -2.93 0.00 0.00 61.98 57.85 1gkg s VAL 1049Cb -0.76 -1.32 0.06 0.00 -1.53 0.00 0.00 36.38 32.83 1gkg s VAL 1049CO 0.59 -0.83 0.50 0.54 -3.33 0.00 0.00 175.10 172.57 1gkg s VAL 1050N -3.24 -0.01 -0.25 2.04 0.11 -0.65 -3.32 120.40 115.09 1gkg s VAL 1050Ca 0.04 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 1gkg s VAL 1050Cb 0.03 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1gkg s VAL 1050CO -0.06 0.01 0.15 -0.89 -3.33 0.00 0.00 175.10 170.98 1gkg s THR 1051N 0.75 5.19 0.26 5.04 2.01 -1.22 -2.23 115.64 125.44 1gkg s THR 1051Ca -0.04 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1gkg s THR 1051Cb -0.05 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1gkg s THR 1051CO -0.06 0.33 0.80 -0.31 -0.69 0.00 0.00 174.62 174.70 1gkg s TYR 1052N 1.23 3.66 0.00 4.92 1.51 0.14 -1.89 117.35 126.92 1gkg s TYR 1052Ca 0.07 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 1gkg s TYR 1052Cb -0.14 -2.72 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1gkg s TYR 1052CO 0.06 0.29 0.00 -2.13 -1.11 0.00 0.00 175.55 172.66 1gkg n ARG 1053N 0.65 0.32 -1.27 -0.62 0.63 -1.26 -4.78 116.66 110.34 1gkg n ARG 1053Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1gkg n ARG 1053Cb 0.51 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.35 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 -4.17 6.51 0.00 0.00 0.02 -0.59 -4.58 114.94 112.14 1gkg s ASN 1055Ca 0.00 2.70 0.00 0.00 -1.02 0.00 0.00 52.86 54.54 1gkg s ASN 1055Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.68 1gkg s ASN 1055CO 0.00 -0.88 0.00 0.18 0.02 0.00 0.00 177.10 176.42 1gkg n LEU 1056N 4.05 0.00 -1.16 0.60 7.99 -1.26 -4.61 117.00 122.62 1gkg n LEU 1056Ca 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.12 1gkg n LEU 1056Cb 0.37 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.65 1gkg n LEU 1056CO 0.62 0.00 0.24 0.61 -1.51 0.00 0.00 177.39 177.35 1gkg n GLY 1057N 2.58 0.70 0.00 -0.72 0.00 -1.26 -4.91 105.19 101.58 1gkg n GLY 1057Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1gkg n GLY 1057CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 1058N 0.19 0.00 0.00 1.61 3.41 -1.26 -5.01 113.62 112.56 1gkg n SER 1058Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1gkg n SER 1058Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1gkg n ARG 1059N 0.00 0.00 -0.66 4.33 3.00 -1.26 -5.00 116.66 117.07 1gkg n ARG 1059Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1gkg n ARG 1059Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 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 -1.26 -0.11 3.90 5.14 0.00 -1.26 -4.88 105.19 106.72 1gkg n GLY 1060Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1gkg n GLY 1060CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gkg s ARG 1061N 0.00 2.06 -1.03 1.61 0.52 -1.26 -4.90 118.95 115.94 1gkg s ARG 1061Ca 0.00 0.12 -0.25 0.00 -0.52 0.00 0.00 55.73 55.08 1gkg s ARG 1061Cb 0.00 -1.97 -0.13 0.00 0.52 0.00 0.00 34.95 33.37 1gkg s ARG 1061CO 0.00 -1.53 2.07 0.21 0.02 0.00 0.00 175.30 176.08 1gkg s LYS 1062N -5.54 1.94 -0.30 3.54 2.20 -1.26 -4.72 119.74 115.60 1gkg s LYS 1062Ca 0.62 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1gkg s LYS 1062Cb -0.11 -5.05 0.17 0.00 -1.51 0.00 0.00 37.83 31.33 1gkg s LYS 1062CO 0.49 -4.43 0.48 0.14 -0.36 0.00 0.00 175.35 171.67 1gkg s VAL 1063N 13.37 -0.77 -0.02 4.02 -7.23 -1.26 -4.95 120.40 123.56 1gkg s VAL 1063Ca 0.77 -0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1gkg s VAL 1063Cb -0.05 -0.94 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1gkg s VAL 1063CO 0.11 -0.19 0.02 0.49 -0.31 0.00 0.00 175.10 175.23 1gkg n PHE 1064N 5.30 -0.07 -3.04 2.82 3.01 -1.26 -4.02 117.46 120.19 1gkg n PHE 1064Ca 0.03 0.02 -0.40 0.00 1.01 0.00 0.00 57.45 58.12 1gkg n PHE 1064Cb 0.51 -2.30 -0.05 0.00 -0.01 0.00 0.00 39.48 37.64 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 -3.03 4.44 0.29 -1.08 2.02 -0.95 -4.41 118.70 115.99 1gkg s GLU 1065Ca 0.01 0.88 -0.29 0.00 0.02 0.00 0.00 54.97 55.59 1gkg s GLU 1065Cb -0.00 -3.45 -0.10 0.00 0.10 0.00 0.00 34.13 30.68 1gkg s GLU 1065CO 0.02 0.07 1.28 -1.17 0.02 0.00 0.00 175.26 175.48 1gkg s LEU 1066N 0.79 4.44 0.07 1.80 1.98 -1.25 -1.38 118.68 125.14 1gkg s LEU 1066Ca 0.38 2.57 -0.16 0.00 -2.89 0.00 0.00 54.13 54.03 1gkg s LEU 1066Cb -0.18 -3.64 0.03 0.00 0.66 0.00 0.00 46.19 43.06 1gkg s LEU 1066CO 0.18 -0.48 0.36 -0.69 -1.89 0.00 0.00 176.35 173.83 1gkg s VAL 1067N -0.84 0.07 0.00 1.68 1.01 0.23 -4.92 120.40 117.64 1gkg s VAL 1067Ca 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1gkg s VAL 1067Cb -0.38 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1gkg s VAL 1067CO 0.48 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1gkg n GLY 1068N 0.27 2.58 3.15 4.51 0.00 -1.26 -0.61 105.19 113.84 1gkg n GLY 1068Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1gkg n GLY 1068CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gkg s GLU 1069N 0.00 0.34 0.03 1.61 2.56 -1.26 -4.94 118.70 117.04 1gkg s GLU 1069Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 54.97 55.53 1gkg s GLU 1069Cb 0.00 0.22 -0.19 0.00 2.00 0.00 0.00 34.13 36.16 1gkg s GLU 1069CO 0.00 -0.54 0.86 -1.00 -0.56 0.00 0.00 175.26 174.02 1gkg h PRO 1070N 7.75 0.00 -2.59 4.30 0.13 -1.87 -3.42 132.00 136.31 1gkg h PRO 1070Ca -0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 1gkg h PRO 1070Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 1gkg h PRO 1070CO 0.03 0.56 -0.19 -1.12 -0.23 0.00 0.00 178.00 177.05 1gkg s SER 1071N -6.18 -0.52 0.15 1.44 0.01 -1.26 0.29 113.70 107.63 1gkg s SER 1071Ca -0.03 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.17 1gkg s SER 1071Cb 0.08 0.93 -0.04 0.00 0.21 0.00 0.00 66.02 67.21 1gkg s SER 1071CO 0.82 -0.17 0.10 0.27 0.41 0.00 0.00 173.24 174.66 1gkg s ILE 1072N 0.58 0.08 -0.12 1.44 -4.36 -0.95 -5.01 121.20 112.87 1gkg s ILE 1072Ca -0.03 -1.87 -0.24 0.00 -0.26 0.00 0.00 60.65 58.25 1gkg s ILE 1072Cb -0.05 -2.11 0.06 0.00 1.25 0.00 0.00 42.46 41.62 1gkg s ILE 1072CO -0.03 -0.36 0.60 -0.72 0.24 0.00 0.00 174.94 174.66 1gkg s TYR 1073N -4.06 -0.59 0.57 1.37 -0.85 -1.26 -1.63 117.35 110.90 1gkg s TYR 1073Ca 0.26 1.22 -0.20 0.00 -0.52 0.00 0.00 57.07 57.83 1gkg s TYR 1073Cb 0.07 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 1gkg s TYR 1073CO 0.04 -0.45 1.26 0.00 -1.52 0.00 0.00 175.55 174.87 1gkg s THR 1075N -1.47 0.11 -0.08 0.00 -1.32 -1.20 -4.30 115.64 107.37 1gkg s THR 1075Ca 0.75 -0.92 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1gkg s THR 1075Cb -0.34 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 1gkg s THR 1075CO 0.38 -0.50 1.26 -0.44 -2.21 0.00 0.00 174.62 173.11 1gkg s SER 1076N -1.53 6.98 0.00 8.08 0.01 -1.26 -3.77 113.70 122.21 1gkg s SER 1076Ca -0.15 1.82 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1gkg s SER 1076Cb -0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1gkg s SER 1076CO -0.01 -0.67 0.00 -0.46 0.41 0.00 0.00 173.24 172.51 1gkg n ASN 1077N 5.74 0.00 -4.20 2.44 2.04 -1.26 -5.02 115.26 115.00 1gkg n ASN 1077Ca 0.12 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 53.95 1gkg n ASN 1077Cb 0.45 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.65 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 0.05 -0.74 0.00 0.53 -0.08 -1.26 -2.13 116.55 112.92 1gkg n ASP 1078Ca 0.00 -1.12 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 1gkg n ASP 1078Cb 0.00 -2.36 0.00 0.00 2.34 0.00 0.00 41.12 41.10 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1gkg n ASP 1079N -2.82 0.00 0.00 1.67 -0.08 -1.26 -2.82 116.55 111.24 1gkg n ASP 1079Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1gkg n ASP 1079Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gkg n GLN 1080N 0.00 0.00 0.05 -0.67 10.64 -0.90 -5.02 117.38 121.48 1gkg n GLN 1080Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 1gkg n GLN 1080Cb 0.00 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.24 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg h VAL 1081N 0.00 0.93 -2.21 -0.39 2.07 -1.46 -3.40 116.25 111.79 1gkg h VAL 1081Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1gkg h VAL 1081Cb 0.00 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1gkg h VAL 1081CO 0.00 0.83 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1gkg n GLY 1082N 1.82 0.70 3.75 2.17 0.00 -1.25 -4.30 105.19 108.07 1gkg n GLY 1082Ca -0.23 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gkg s ILE 1083N -2.81 4.41 0.45 -0.61 -4.36 -1.25 -4.27 121.20 112.76 1gkg s ILE 1083Ca 0.00 1.90 -0.23 0.00 -0.26 0.00 0.00 60.65 62.06 1gkg s ILE 1083Cb 0.00 -4.24 -0.08 0.00 1.25 0.00 0.00 42.46 39.40 1gkg s ILE 1083CO 0.00 0.42 1.15 0.26 0.24 0.00 0.00 174.94 177.01 1gkg s TRP 1084N -0.57 2.93 -0.89 1.37 0.52 -1.26 -3.27 118.94 117.76 1gkg s TRP 1084Ca 0.41 1.55 0.00 0.00 0.02 0.00 0.00 56.10 58.08 1gkg s TRP 1084Cb -0.23 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 1gkg s TRP 1084CO 0.28 -1.37 0.87 -1.13 0.02 0.00 0.00 176.95 175.63 1gkg n SER 1085N -0.46 0.00 -3.64 2.95 3.41 -1.12 -4.58 113.62 110.18 1gkg n SER 1085Ca 0.07 0.38 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 1gkg n SER 1085Cb 0.48 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 1gkg n SER 1085CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gkg s GLY 1086N -2.75 -0.22 0.00 5.00 0.00 -1.26 -5.04 107.32 103.05 1gkg s GLY 1086Ca 0.00 2.70 0.00 0.00 0.00 0.00 0.00 44.72 47.42 1gkg s GLY 1086CO 0.00 2.11 0.00 -1.05 0.00 0.00 0.00 173.10 174.16 1gkg n PRO 1087N 2.95 1.92 -2.61 2.90 -0.02 -1.26 -4.89 135.00 133.99 1gkg n PRO 1087Ca -0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.92 1gkg n PRO 1087Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.00 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 -2.94 3.36 0.00 3.55 0.00 -1.26 -4.91 121.76 119.56 1gkg s ALA 1088Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1gkg s ALA 1088Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1gkg s ALA 1088CO 0.00 -0.03 0.00 -0.35 0.00 0.00 0.00 175.76 175.38 1gkg n PRO 1089N 1.73 2.76 -3.65 0.00 -0.05 -1.26 -4.97 135.00 129.55 1gkg n PRO 1089Ca -0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.37 1gkg n PRO 1089Cb 0.46 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.82 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 175.50 174.31 1gkg s GLN 1090N 0.11 0.33 -0.19 0.54 2.00 0.22 -4.96 119.66 117.71 1gkg s GLN 1090Ca 0.00 1.04 -0.08 0.00 -2.00 0.00 0.00 55.36 54.32 1gkg s GLN 1090Cb 0.00 0.34 -0.04 0.00 0.80 0.00 0.00 33.01 34.11 1gkg s GLN 1090CO 0.00 -0.26 0.08 0.00 -0.50 0.00 0.00 175.29 174.61