#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 -1.80 -1.84 0.00 -1.26 -4.64 120.51 110.98 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1gkg s GLU 959 N 0.00 4.38 -0.00 0.00 1.03 -1.26 -4.89 118.70 117.96 1gkg s GLU 959 Ca 0.00 2.17 -0.06 0.00 0.03 0.00 0.00 54.97 57.11 1gkg s GLU 959 Cb 0.00 -3.10 -0.25 0.00 -0.80 0.00 0.00 34.13 29.98 1gkg s GLU 959 CO 0.00 -0.17 3.42 0.00 -1.33 0.00 0.00 175.26 177.18 1gkg n ALA 960 N 1.09 6.02 -1.30 -0.84 0.00 -1.26 -4.83 120.51 119.38 1gkg n ALA 960 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1gkg n ALA 960 Cb 0.42 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1gkg n ALA 960 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gkg n LYS 961 N 2.54 -3.67 -3.64 0.00 4.76 -1.26 -4.64 118.16 112.25 1gkg n LYS 961 Ca 0.40 2.66 -0.14 0.00 -2.87 0.00 0.00 58.31 58.36 1gkg n LYS 961 Cb 0.86 -2.94 -0.08 0.00 -1.84 0.00 0.00 35.03 31.03 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1gkg s SER 962 N -1.98 -0.66 -0.01 4.39 1.04 -1.26 -3.21 113.70 112.02 1gkg s SER 962 Ca 0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1gkg s SER 962 Cb 0.00 1.20 0.01 0.00 0.10 0.00 0.00 66.02 67.33 1gkg s SER 962 CO 0.00 -0.27 1.24 0.00 0.98 0.00 0.00 173.24 175.18 1gkg n LYS 964 N 0.71 -4.94 -1.69 0.00 3.00 -1.26 -4.61 118.16 109.38 1gkg n LYS 964 Ca 0.01 3.64 -0.45 0.00 -0.00 0.00 0.00 58.31 61.51 1gkg n LYS 964 Cb 0.51 -4.06 -0.04 0.00 0.00 0.00 0.00 35.03 31.44 1gkg n LYS 964 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1gkg n THR 965 N -0.38 0.06 -1.67 3.15 -1.04 -1.26 -4.86 114.28 108.28 1gkg n THR 965 Ca 0.00 -0.02 -0.44 0.00 -2.04 0.00 0.00 64.05 61.56 1gkg n THR 965 Cb 0.00 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 1gkg n THR 965 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1gkg n PRO 966 N 3.49 2.68 -1.39 -2.82 -0.02 -1.26 -4.87 135.00 130.81 1gkg n PRO 966 Ca 0.16 0.98 -0.39 0.00 -2.02 0.00 0.00 63.50 62.23 1gkg n PRO 966 Cb 0.31 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 30.87 1gkg n PRO 966 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gkg n PRO 967 N 7.00 2.61 -1.14 0.52 -0.04 -1.26 -4.75 135.00 137.94 1gkg n PRO 967 Ca 0.20 -2.20 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 1gkg n PRO 967 Cb 0.37 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 1gkg n PRO 967 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gkg n ASP 968 N 5.68 -0.69 -4.33 3.54 8.00 -1.26 -4.70 116.55 122.79 1gkg n ASP 968 Ca 0.56 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.66 1gkg n ASP 968 Cb 0.33 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1gkg n PRO 969 N 0.18 0.18 -1.69 -0.24 -0.02 -1.19 -4.71 135.00 127.52 1gkg n PRO 969 Ca -0.01 0.07 -0.58 0.00 -2.02 0.00 0.00 63.50 60.96 1gkg n PRO 969 Cb 0.07 -1.21 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.34 0.21 0.00 -1.45 0.31 -1.26 -3.18 118.33 111.62 1gkg n VAL 970 Ca 0.10 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1gkg n VAL 970 Cb 0.44 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1gkg n ASN 971 N 4.60 0.00 -4.71 4.52 5.03 -1.26 -2.46 115.26 120.99 1gkg n ASN 971 Ca 0.25 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.28 1gkg n ASN 971 Cb 0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.85 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1gkg s GLY 972 N 0.00 2.42 0.46 7.41 0.00 -1.19 -4.24 107.32 112.18 1gkg s GLY 972 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 44.72 45.33 1gkg s GLY 972 CO 0.00 2.02 0.84 1.06 0.00 0.00 0.00 173.10 177.02 1gkg s MET 973 N 1.36 3.78 0.22 2.90 -1.94 -1.26 -3.16 119.30 121.19 1gkg s MET 973 Ca 0.57 0.58 -0.12 0.00 -1.71 0.00 0.00 55.69 55.00 1gkg s MET 973 Cb -0.27 -2.30 -0.07 0.00 2.01 0.00 0.00 34.83 34.20 1gkg s MET 973 CO 0.27 -0.15 0.58 0.54 -0.01 0.00 0.00 175.02 176.24 1gkg s VAL 974 N -2.54 4.87 -0.43 -6.03 0.11 -1.26 -2.23 120.40 112.88 1gkg s VAL 974 Ca 0.53 0.65 0.02 0.00 -2.93 0.00 0.00 61.98 60.25 1gkg s VAL 974 Cb -0.10 -3.66 0.12 0.00 -1.53 0.00 0.00 36.38 31.21 1gkg s VAL 974 CO 0.35 0.01 0.18 -1.00 -3.33 0.00 0.00 175.10 171.31 1gkg s HIS 975 N -1.73 3.55 -1.18 1.54 3.76 0.17 -4.99 115.29 116.42 1gkg s HIS 975 Ca 0.45 -2.88 -0.22 0.00 -0.15 0.00 0.00 55.06 52.26 1gkg s HIS 975 Cb -0.12 -3.01 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 1gkg s HIS 975 CO 0.20 -0.89 1.90 0.08 -0.85 0.00 0.00 174.74 175.18 1gkg s VAL 976 N 0.56 3.61 0.00 -0.90 1.01 -1.26 -2.24 120.40 121.18 1gkg s VAL 976 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1gkg s VAL 976 Cb -0.22 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1gkg s VAL 976 CO -0.05 -1.13 0.13 -0.38 0.00 0.00 0.00 175.10 173.67 1gkg n ILE 977 N 7.62 0.00 0.00 2.22 5.41 -1.26 -4.76 119.36 128.59 1gkg n ILE 977 Ca 0.45 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.48 1gkg n ILE 977 Cb 0.47 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 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 -0.65 0.00 -3.56 1.39 -2.24 -1.26 -5.02 114.28 102.94 1gkg n THR 978 Ca 0.00 0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 62.34 1gkg n THR 978 Cb 0.00 -1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 66.82 1gkg n THR 978 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1gkg s ASP 979 N -1.76 -0.47 0.32 3.42 1.01 -1.26 -5.03 116.67 112.89 1gkg s ASP 979 Ca 0.00 0.54 0.21 0.00 0.71 0.00 0.00 52.55 54.01 1gkg s ASP 979 Cb 0.00 0.41 0.16 0.00 1.01 0.00 0.00 42.92 44.50 1gkg s ASP 979 CO 0.00 -0.43 1.34 0.16 0.21 0.00 0.00 175.17 176.46 1gkg h ILE 980 N 2.76 0.13 -4.27 0.77 3.07 -1.94 -3.39 117.51 114.64 1gkg h ILE 980 Ca -0.22 -1.21 -0.51 0.00 1.55 0.00 0.00 64.86 64.48 1gkg h ILE 980 Cb 1.15 1.88 0.10 0.00 -0.27 0.00 0.00 36.82 39.68 1gkg h ILE 980 CO 0.33 0.08 0.36 -1.10 -1.05 0.00 0.00 178.15 176.76 1gkg s GLN 981 N -3.21 2.81 0.37 0.16 -0.21 -1.26 -3.02 119.66 115.29 1gkg s GLN 981 Ca 0.03 1.15 -0.24 0.00 0.02 0.00 0.00 55.36 56.33 1gkg s GLN 981 Cb 0.07 -1.97 -0.14 0.00 1.00 0.00 0.00 33.01 31.97 1gkg s GLN 981 CO 0.73 -1.21 0.49 1.55 -2.12 0.00 0.00 175.29 174.72 1gkg n VAL 982 N -2.86 1.59 -2.56 1.09 3.14 -1.20 -3.37 118.33 114.16 1gkg n VAL 982 Ca 0.09 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.92 1gkg n VAL 982 Cb 0.53 -0.38 0.02 0.00 -1.06 0.00 0.00 33.84 32.95 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 983 N 1.89 0.50 3.64 7.55 0.00 -0.83 -4.99 105.19 112.95 1gkg n GLY 983 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.15 -0.56 -0.20 1.61 0.01 -1.22 -4.93 113.70 105.26 1gkg s SER 984 Ca 0.07 0.89 -0.09 0.00 1.31 0.00 0.00 55.95 58.13 1gkg s SER 984 Cb -0.03 1.24 -0.05 0.00 0.21 0.00 0.00 66.02 67.39 1gkg s SER 984 CO 0.15 -0.14 0.11 -0.60 0.41 0.00 0.00 173.24 173.17 1gkg s ARG 985 N 1.40 4.06 0.00 12.44 3.52 -1.26 -1.81 118.95 137.31 1gkg s ARG 985 Ca -0.09 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1gkg s ARG 985 Cb -0.04 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1gkg s ARG 985 CO -0.15 0.21 0.00 0.44 -0.81 0.00 0.00 175.30 174.99 1gkg n ILE 986 N 3.76 0.00 -3.69 4.11 -5.35 -1.00 -4.04 119.36 113.15 1gkg n ILE 986 Ca -0.16 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1gkg n ILE 986 Cb 0.52 -1.14 -0.11 0.00 -1.74 0.00 0.00 39.64 37.17 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 1.30 -0.14 0.31 7.28 -4.23 -0.95 -4.21 115.64 114.99 1gkg s THR 987 Ca 0.00 0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.69 1gkg s THR 987 Cb 0.00 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 1gkg s THR 987 CO 0.00 0.05 0.44 -0.31 -0.54 0.00 0.00 174.62 174.27 1gkg s TYR 988 N 1.61 3.25 0.00 3.99 1.51 -0.77 0.42 117.35 127.36 1gkg s TYR 988 Ca -0.08 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1gkg s TYR 988 Cb -0.10 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1gkg s TYR 988 CO -0.12 0.14 0.00 0.45 -1.11 0.00 0.00 175.55 174.91 1gkg n SER 989 N -1.58 0.00 -3.50 2.29 2.88 -0.95 -4.72 113.62 108.03 1gkg n SER 989 Ca -0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 1gkg n SER 989 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gkg n THR 991 N -0.06 0.00 -3.00 0.00 -2.24 -1.26 -4.89 114.28 102.83 1gkg n THR 991 Ca -0.17 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1gkg n THR 991 Cb 0.63 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1gkg n THR 991 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1gkg s THR 992 N 0.00 4.87 -1.38 4.28 -1.32 -1.26 -4.12 115.64 116.71 1gkg s THR 992 Ca 0.00 1.56 -0.07 0.00 -1.21 0.00 0.00 61.69 61.97 1gkg s THR 992 Cb 0.00 -4.09 0.03 0.00 -1.51 0.00 0.00 72.50 66.93 1gkg s THR 992 CO 0.00 0.31 1.00 0.61 -2.21 0.00 0.00 174.62 174.33 1gkg n GLY 993 N 2.69 -0.45 2.86 6.08 0.00 -1.26 -5.00 105.19 110.11 1gkg n GLY 993 Ca -0.02 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.39 -0.09 -0.09 1.61 4.02 -1.26 -3.10 115.29 112.99 1gkg s HIS 994 Ca 0.39 0.35 -0.13 0.00 1.02 0.00 0.00 55.06 56.70 1gkg s HIS 994 Cb -0.19 -0.16 -0.05 0.00 -1.02 0.00 0.00 32.58 31.17 1gkg s HIS 994 CO 0.78 -0.14 0.30 -0.98 1.02 0.00 0.00 174.74 175.72 1gkg s ARG 995 N 1.20 3.95 0.09 1.40 1.70 -0.71 -4.63 118.95 121.96 1gkg s ARG 995 Ca -0.08 0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.04 1gkg s ARG 995 Cb -0.12 -3.30 -0.06 0.00 -0.57 0.00 0.00 34.95 30.90 1gkg s ARG 995 CO -0.05 0.52 1.11 -1.17 -1.08 0.00 0.00 175.30 174.63 1gkg s LEU 996 N -0.42 4.42 -0.01 -1.89 0.20 -1.26 0.36 118.68 120.08 1gkg s LEU 996 Ca 0.19 1.95 -0.07 0.00 0.69 0.00 0.00 54.13 56.90 1gkg s LEU 996 Cb -0.14 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 1gkg s LEU 996 CO 0.07 -0.32 0.25 -0.63 -0.29 0.00 0.00 176.35 175.44 1gkg s ILE 997 N 0.56 5.33 -0.49 6.68 -1.09 -0.10 -4.46 121.20 127.63 1gkg s ILE 997 Ca 0.54 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 1gkg s ILE 997 Cb -0.27 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1gkg s ILE 997 CO 0.31 0.40 0.42 0.61 -1.23 0.00 0.00 174.94 175.45 1gkg n GLY 998 N 1.23 0.30 1.70 6.18 0.00 -1.26 -2.20 105.19 111.13 1gkg n GLY 998 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.97 -4.46 -0.82 1.61 8.25 -1.26 -4.66 115.22 110.91 1gkg n HIS 999 Ca -0.04 2.33 -0.18 0.00 -0.26 0.00 0.00 57.72 59.57 1gkg n HIS 999 Cb 0.54 -3.53 0.05 0.00 1.12 0.00 0.00 29.99 28.17 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 0.15 6.09 -3.58 0.41 3.41 -1.26 -4.74 113.62 114.10 1gkg n SER 1000Ca 0.00 -3.11 -0.15 0.00 -0.26 0.00 0.00 58.87 55.35 1gkg n SER 1000Cb 0.00 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 62.90 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 -0.11 -0.62 -0.26 4.04 1.04 -1.26 -1.85 113.70 114.68 1gkg s SER 1001Ca 0.35 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 1gkg s SER 1001Cb 0.27 0.84 0.07 0.00 0.10 0.00 0.00 66.02 67.31 1gkg s SER 1001CO 0.01 -0.41 0.64 0.00 0.98 0.00 0.00 173.24 174.46 1gkg s ALA 1002N -0.52 -1.72 -0.16 5.32 0.00 -1.26 -4.82 121.76 118.61 1gkg s ALA 1002Ca -0.05 2.22 -0.06 0.00 0.00 0.00 0.00 51.96 54.08 1gkg s ALA 1002Cb -0.02 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1gkg s ALA 1002CO 0.04 -0.35 0.04 -2.00 0.00 0.00 0.00 175.76 173.49 1gkg s GLU 1003N 1.47 3.71 0.04 0.00 2.12 -1.26 -2.37 118.70 122.40 1gkg s GLU 1003Ca -0.09 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1gkg s GLU 1003Cb -0.06 -3.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 1gkg s GLU 1003CO -0.17 0.38 1.36 0.00 -0.54 0.00 0.00 175.26 176.30 1gkg s ILE 1005N 1.87 0.81 0.16 0.00 -4.36 -0.97 -1.95 121.20 116.75 1gkg s ILE 1005Ca 0.63 -1.36 -0.23 0.00 -0.26 0.00 0.00 60.65 59.44 1gkg s ILE 1005Cb -0.32 -1.01 -0.08 0.00 1.25 0.00 0.00 42.46 42.30 1gkg s ILE 1005CO 0.28 -0.43 0.72 -0.22 0.24 0.00 0.00 174.94 175.53 1gkg s LEU 1006N -1.97 4.52 -0.22 0.37 1.98 -1.26 -0.29 118.68 121.81 1gkg s LEU 1006Ca -0.02 1.51 -0.13 0.00 -2.89 0.00 0.00 54.13 52.60 1gkg s LEU 1006Cb -0.07 -3.27 0.07 0.00 0.66 0.00 0.00 46.19 43.57 1gkg s LEU 1006CO 0.00 0.18 0.53 -0.55 -1.89 0.00 0.00 176.35 174.63 1gkg s SER 1007N -1.26 -0.68 0.00 3.68 0.15 -0.97 -4.92 113.70 109.70 1gkg s SER 1007Ca 0.36 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1gkg s SER 1007Cb -0.21 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1gkg s SER 1007CO 0.23 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1gkg n GLY 1008N 4.06 0.88 0.30 9.45 0.00 -1.26 -1.36 105.19 117.26 1gkg n GLY 1008Ca -0.21 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 2.54 0.00 -3.72 1.61 3.02 -1.26 -5.12 115.26 112.33 1gkg n ASN 1009Ca 0.00 -1.07 -0.13 0.00 -0.03 0.00 0.00 54.58 53.35 1gkg n ASN 1009Cb 0.00 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.00 0.01 0.31 3.41 2.01 -0.46 -5.11 115.64 115.80 1gkg s THR 1010Ca 0.00 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1gkg s THR 1010Cb 0.00 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 1gkg s THR 1010CO 0.00 -0.05 1.07 0.00 -0.69 0.00 0.00 174.62 174.95 1gkg s ALA 1011N -0.14 3.30 -0.11 7.40 0.00 -1.26 -2.28 121.76 128.67 1gkg s ALA 1011Ca -0.03 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1gkg s ALA 1011Cb -0.03 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1gkg s ALA 1011CO 0.02 -0.14 0.34 -1.01 0.00 0.00 0.00 175.76 174.97 1gkg s HIS 1012N -1.32 -0.35 0.19 0.00 3.76 0.60 -3.92 115.29 114.26 1gkg s HIS 1012Ca 0.48 0.82 -0.31 0.00 -0.15 0.00 0.00 55.06 55.90 1gkg s HIS 1012Cb -0.28 0.12 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 1gkg s HIS 1012CO 0.36 -0.22 1.44 -1.58 -0.85 0.00 0.00 174.74 173.89 1gkg s TRP 1013N -0.06 3.12 0.65 1.40 0.52 -1.26 -2.30 118.94 121.00 1gkg s TRP 1013Ca -0.02 0.95 0.28 0.00 0.02 0.00 0.00 56.10 57.33 1gkg s TRP 1013Cb -0.03 -3.78 1.52 0.00 -1.15 0.00 0.00 33.47 30.03 1gkg s TRP 1013CO 0.01 -2.65 1.87 1.03 0.02 0.00 0.00 176.95 177.24 1gkg h SER 1014N 5.89 0.00 0.00 2.95 0.87 -1.82 -2.58 113.55 118.86 1gkg h SER 1014Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1gkg h SER 1014Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1gkg h SER 1014CO 0.83 0.00 -0.18 0.35 -0.53 0.00 0.00 176.83 177.30 1gkg n THR 1015N -3.08 0.00 -1.09 2.23 -2.24 -1.26 -5.03 114.28 103.80 1gkg n THR 1015Ca 0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1gkg n THR 1015Cb 0.48 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1gkg n THR 1015CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1gkg n LYS 1016N -0.52 -2.91 -1.43 -0.78 4.76 -0.97 -4.64 118.16 111.67 1gkg n LYS 1016Ca 0.00 2.25 -0.48 0.00 -2.87 0.00 0.00 58.31 57.21 1gkg n LYS 1016Cb 0.00 -2.76 -0.11 0.00 -1.84 0.00 0.00 35.03 30.32 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1gkg n PRO 1017N -2.04 0.39 0.00 1.97 -0.02 -1.26 -4.92 135.00 129.12 1gkg n PRO 1017Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1gkg n PRO 1017Cb 0.28 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gkg n PRO 1018N 8.24 3.11 0.00 0.52 -0.02 -1.26 -4.95 135.00 140.64 1gkg n PRO 1018Ca 0.54 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1gkg n PRO 1018Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 1gkg n PRO 1018CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1gkg n ILE 1019N 0.00 0.00 -3.36 4.25 -5.35 -0.93 -4.02 119.36 109.95 1gkg n ILE 1019Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 1gkg n ILE 1019Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 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 2.64 4.59 0.11 0.00 2.00 0.16 -4.79 119.66 124.36 1gkg s GLN 1021Ca 0.12 1.31 -0.31 0.00 -2.00 0.00 0.00 55.36 54.48 1gkg s GLN 1021Cb -0.15 -3.40 -0.08 0.00 0.80 0.00 0.00 33.01 30.18 1gkg s GLN 1021CO -0.17 0.14 1.50 0.50 -0.50 0.00 0.00 175.29 176.77 1gkg s ARG 1022N 0.33 4.26 -0.39 1.67 3.52 -1.26 -1.74 118.95 125.35 1gkg s ARG 1022Ca 0.46 2.21 -0.32 0.00 -0.13 0.00 0.00 55.73 57.95 1gkg s ARG 1022Cb -0.22 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 1gkg s ARG 1022CO 0.27 -0.57 2.27 -0.89 -0.81 0.00 0.00 175.30 175.57 1gkg n ILE 1023N 4.19 0.17 -3.04 4.11 2.08 -1.18 -4.91 119.36 120.78 1gkg n ILE 1023Ca 0.13 -0.38 -0.40 0.00 0.56 0.00 0.00 62.75 62.66 1gkg n ILE 1023Cb 0.41 -1.97 -0.05 0.00 -0.75 0.00 0.00 39.64 37.28 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1gkg s PRO 1024N 6.78 4.34 -0.18 0.38 0.04 -1.19 -4.11 135.00 141.07 1gkg s PRO 1024Ca 1.08 0.83 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1gkg s PRO 1024Cb -0.65 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 1gkg s PRO 1024CO 0.42 -0.11 -0.01 0.00 0.04 0.00 0.00 177.00 177.34 1gkg n GLY 1026N 3.81 -0.16 3.72 0.00 0.00 -1.26 -3.87 105.19 107.43 1gkg n GLY 1026Ca -0.17 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 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 3.23 0.32 0.99 2.01 -1.26 -4.91 118.68 119.06 1gkg s LEU 1027Ca 0.00 2.31 -0.27 0.00 0.01 0.00 0.00 54.13 56.18 1gkg s LEU 1027Cb 0.00 -4.58 -0.13 0.00 0.01 0.00 0.00 46.19 41.48 1gkg s LEU 1027CO 0.00 -2.38 0.99 -0.81 1.01 0.00 0.00 176.35 175.16 1gkg n PRO 1028N -2.99 1.34 0.00 1.29 -0.04 -1.26 -4.79 135.00 128.55 1gkg n PRO 1028Ca 0.13 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1gkg n PRO 1028Cb 0.51 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.63 0.00 -0.62 0.54 -0.02 -1.26 -4.93 135.00 129.34 1gkg n PRO 1029Ca 0.09 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1gkg n PRO 1029Cb 0.33 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 1gkg n PRO 1029CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1gkg n THR 1030N -1.40 0.00 -2.21 3.45 5.66 -1.26 -4.87 114.28 113.65 1gkg n THR 1030Ca 0.00 0.05 -0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1gkg n THR 1030Cb 0.05 -0.23 -0.03 0.00 -1.55 0.00 0.00 70.33 68.57 1gkg n THR 1030CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1gkg n ILE 1031N -2.15 0.01 -1.91 1.09 -5.35 -1.26 -4.96 119.36 104.82 1gkg n ILE 1031Ca -0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1gkg n ILE 1031Cb 0.56 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.17 -1.73 0.00 -1.28 0.00 -1.26 -4.21 120.51 112.20 1gkg n ALA 1032Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1gkg n ALA 1032Cb 0.88 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.36 0.00 -4.67 0.00 3.02 -1.26 -4.56 115.26 109.15 1gkg n ASN 1033Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1gkg n ASN 1033Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.00 1.75 0.00 7.41 0.00 -1.26 -1.10 107.32 114.12 1gkg s GLY 1034Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1gkg s GLY 1034CO 0.00 2.39 0.00 1.22 0.00 0.00 0.00 173.10 176.71 1gkg n ASP 1035N 6.29 0.00 -3.66 1.64 8.00 -1.26 -4.41 116.55 123.14 1gkg n ASP 1035Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 1gkg n ASP 1035Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gkg s PHE 1036N 0.00 -0.60 -0.25 1.24 -0.12 -1.26 -4.23 117.98 112.76 1gkg s PHE 1036Ca 0.00 1.39 0.02 0.00 -0.05 0.00 0.00 56.93 58.28 1gkg s PHE 1036Cb 0.00 0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.69 1gkg s PHE 1036CO 0.00 -0.35 -0.06 0.42 -0.05 0.00 0.00 175.22 175.18 1gkg s ILE 1037N -0.03 1.76 -0.17 -4.49 -1.09 0.12 -4.94 121.20 112.36 1gkg s ILE 1037Ca -0.03 -1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 56.66 1gkg s ILE 1037Cb -0.04 -2.00 0.14 0.00 -1.58 0.00 0.00 42.46 38.98 1gkg s ILE 1037CO 0.02 -0.13 1.07 -0.94 -1.23 0.00 0.00 174.94 173.74 1gkg s SER 1038N 1.28 -0.29 0.26 3.58 1.04 -1.26 -0.82 113.70 117.49 1gkg s SER 1038Ca -0.05 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 1gkg s SER 1038Cb -0.19 0.25 0.30 0.00 0.10 0.00 0.00 66.02 66.47 1gkg s SER 1038CO -0.06 -0.30 1.92 0.74 0.98 0.00 0.00 173.24 176.52 1gkg h THR 1039N 2.38 1.25 -4.00 2.02 2.02 -1.99 -3.43 112.91 111.16 1gkg h THR 1039Ca -0.16 -0.51 -0.54 0.00 0.77 0.00 0.00 66.41 65.97 1gkg h THR 1039Cb 1.17 -0.07 0.12 0.00 -1.74 0.00 0.00 68.15 67.63 1gkg h THR 1039CO 0.29 0.25 0.67 0.54 0.37 0.00 0.00 175.52 177.64 1gkg s ASN 1040N -6.22 5.82 0.00 4.18 4.22 -1.26 -4.90 114.94 116.79 1gkg s ASN 1040Ca -0.12 2.84 0.00 0.00 -2.14 0.00 0.00 52.86 53.44 1gkg s ASN 1040Cb 0.18 -2.65 0.00 0.00 1.28 0.00 0.00 41.25 40.06 1gkg s ASN 1040CO 0.81 -1.20 0.00 0.54 -2.04 0.00 0.00 177.10 175.21 1gkg n ARG 1041N -0.32 0.00 0.00 3.55 1.74 -1.26 -5.02 116.66 115.35 1gkg n ARG 1041Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1gkg n ARG 1041Cb 0.43 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 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 -1.17 0.00 -0.86 5.56 0.28 -1.26 -4.90 120.64 118.29 1gkg n GLU 1042Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1gkg n GLU 1042Cb 0.00 -0.10 -0.03 0.00 1.43 0.00 0.00 31.44 32.74 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1gkg n ASN 1043N -2.00 5.67 0.02 -1.84 3.02 -1.26 -4.52 115.26 114.35 1gkg n ASN 1043Ca 0.00 -2.36 -0.06 0.00 -0.03 0.00 0.00 54.58 52.12 1gkg n ASN 1043Cb 0.00 -1.19 -0.05 0.00 -0.61 0.00 0.00 39.78 37.94 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1gkg h PHE 1044N 5.81 -0.15 0.00 3.10 -1.00 -1.90 -3.47 116.94 119.34 1gkg h PHE 1044Ca 0.55 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.32 1gkg h PHE 1044Cb 0.26 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1gkg h PHE 1044CO 1.91 0.15 0.00 0.72 -1.61 0.00 0.00 178.31 179.47 1gkg n HIS 1045N -4.86 0.00 0.00 -0.55 8.25 -1.25 -2.14 115.22 114.67 1gkg n HIS 1045Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1gkg n HIS 1045Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 -3.16 4.41 9.36 -1.26 -1.80 117.16 124.71 1gkg n TYR 1046Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 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 0.20 0.22 0.00 0.00 176.86 177.28 1gkg s GLY 1047N 0.00 -1.26 0.00 2.98 0.00 -0.91 -4.88 107.32 103.25 1gkg s GLY 1047Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1gkg s GLY 1047CO 0.00 3.70 0.00 1.44 0.00 0.00 0.00 173.10 178.24 1gkg n SER 1048N 5.29 0.00 -3.96 1.64 7.64 -1.26 -4.88 113.62 118.09 1gkg n SER 1048Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 1gkg n SER 1048Cb 0.54 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.00 0.27 0.03 0.44 1.01 -1.26 -2.41 120.40 116.49 1gkg s VAL 1049Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1gkg s VAL 1049Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1gkg s VAL 1049CO 0.00 -0.14 -0.07 0.54 0.00 0.00 0.00 175.10 175.42 1gkg s VAL 1050N -0.62 0.53 -0.14 2.92 0.11 -0.96 -4.48 120.40 117.75 1gkg s VAL 1050Ca -0.05 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1gkg s VAL 1050Cb -0.05 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1gkg s VAL 1050CO -0.00 -0.27 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.41 1gkg s THR 1051N -1.11 2.30 0.43 5.04 2.01 0.00 -2.10 115.64 122.22 1gkg s THR 1051Ca -0.07 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1gkg s THR 1051Cb -0.08 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.39 1gkg s THR 1051CO 0.00 0.54 0.98 -0.31 -0.69 0.00 0.00 174.62 175.14 1gkg s TYR 1052N 0.75 3.26 0.00 4.92 1.51 -0.82 0.12 117.35 127.08 1gkg s TYR 1052Ca -0.08 1.62 0.05 0.00 -1.01 0.00 0.00 57.07 57.64 1gkg s TYR 1052Cb -0.16 -2.93 0.08 0.00 -0.11 0.00 0.00 41.96 38.84 1gkg s TYR 1052CO 0.00 -0.30 0.87 -2.13 -1.11 0.00 0.00 175.55 172.88 1gkg n ARG 1053N -0.60 0.00 -1.48 -0.62 0.63 -1.26 -4.92 116.66 108.41 1gkg n ARG 1053Ca 0.07 -0.86 0.06 0.00 -0.92 0.00 0.00 57.85 56.20 1gkg n ARG 1053Cb 0.53 0.07 -0.03 0.00 0.45 0.00 0.00 32.46 33.48 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg h ASN 1055N -0.46 -0.59 -3.75 0.00 -0.73 -1.43 -3.36 115.58 105.26 1gkg h ASN 1055Ca -0.07 -0.06 0.24 0.00 1.87 0.00 0.00 56.30 58.28 1gkg h ASN 1055Cb 1.03 0.15 -0.13 0.00 0.27 0.00 0.00 38.32 39.64 1gkg h ASN 1055CO 0.03 -0.24 -0.91 0.18 -0.37 0.00 0.00 177.43 176.12 1gkg n LEU 1056N -5.29 -0.76 0.08 0.34 4.77 -1.26 -4.55 117.00 110.32 1gkg n LEU 1056Ca -0.11 1.75 -0.14 0.00 -0.03 0.00 0.00 56.01 57.49 1gkg n LEU 1056Cb 0.32 -2.16 -0.14 0.00 -2.33 0.00 0.00 43.42 39.11 1gkg n LEU 1056CO 0.30 -1.48 -0.13 1.23 -1.33 0.00 0.00 177.39 175.98 1gkg h GLY 1057N -0.97 0.22 -5.31 -0.72 0.00 -1.93 -3.42 103.07 90.94 1gkg h GLY 1057Ca -0.14 -0.57 -0.32 0.00 0.00 0.00 0.00 47.33 46.31 1gkg h GLY 1057CO 0.05 0.50 -0.68 -1.14 0.00 0.00 0.00 176.54 175.28 1gkg n SER 1058N -3.44 -1.53 0.00 0.19 3.41 -1.26 -4.97 113.62 106.02 1gkg n SER 1058Ca -0.10 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1gkg n SER 1058Cb 1.01 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 66.10 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gkg n ARG 1059N 0.66 0.00 0.00 4.33 5.12 -1.26 -4.73 116.66 120.78 1gkg n ARG 1059Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1gkg n ARG 1059Cb 0.66 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 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 0.93 2.00 -0.13 0.00 -1.26 -4.92 105.19 101.81 1gkg n GLY 1060Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 1gkg n GLY 1060CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1gkg n ARG 1061N 0.00 0.49 -3.60 1.61 1.85 -1.26 -4.98 116.66 110.77 1gkg n ARG 1061Ca 0.00 -0.49 -0.22 0.00 -1.00 0.00 0.00 57.85 56.14 1gkg n ARG 1061Cb 0.00 0.14 0.01 0.00 -1.05 0.00 0.00 32.46 31.55 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1gkg n LYS 1062N -0.56 -1.59 0.00 2.89 4.81 -1.26 -4.89 118.16 117.56 1gkg n LYS 1062Ca -0.08 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1gkg n LYS 1062Cb 0.64 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1gkg n LYS 1062CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1gkg n VAL 1063N -2.07 0.00 -3.68 3.15 0.24 -1.26 -5.08 118.33 109.63 1gkg n VAL 1063Ca -0.22 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1gkg n VAL 1063Cb 0.65 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 34.05 1gkg n VAL 1063CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1gkg s PHE 1064N 0.00 -0.61 -0.08 6.34 0.08 -1.26 -4.89 117.98 117.56 1gkg s PHE 1064Ca 0.00 1.46 -0.03 0.00 0.12 0.00 0.00 56.93 58.48 1gkg s PHE 1064Cb 0.00 0.22 0.05 0.00 -0.57 0.00 0.00 43.02 42.71 1gkg s PHE 1064CO 0.00 -0.32 0.16 -1.21 -0.10 0.00 0.00 175.22 173.75 1gkg s GLU 1065N 0.18 0.04 0.61 0.44 2.02 0.63 -4.91 118.70 117.70 1gkg s GLU 1065Ca -0.01 0.54 -0.16 0.00 0.02 0.00 0.00 54.97 55.35 1gkg s GLU 1065Cb -0.04 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 1gkg s GLU 1065CO 0.01 -0.29 1.09 -1.17 0.02 0.00 0.00 175.26 174.92 1gkg s LEU 1066N 2.16 3.50 -0.00 1.80 2.96 -1.26 -0.36 118.68 127.48 1gkg s LEU 1066Ca 0.02 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 55.88 1gkg s LEU 1066Cb -0.12 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.02 1gkg s LEU 1066CO -0.06 -1.34 -0.02 -0.69 -1.32 0.00 0.00 176.35 172.92 1gkg s VAL 1067N -2.29 0.17 0.00 1.68 1.01 0.23 -4.90 120.40 116.30 1gkg s VAL 1067Ca 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1gkg s VAL 1067Cb -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1gkg s VAL 1067CO 0.37 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1gkg n GLY 1068N 3.13 -1.29 3.65 4.51 0.00 -1.26 -1.66 105.19 112.27 1gkg n GLY 1068Ca -0.14 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 4.05 -0.32 1.61 -1.05 -1.26 -4.89 118.70 116.84 1gkg s GLU 1069Ca 0.00 2.27 0.06 0.00 -0.15 0.00 0.00 54.97 57.15 1gkg s GLU 1069Cb 0.00 -4.08 0.58 0.00 -0.44 0.00 0.00 34.13 30.19 1gkg s GLU 1069CO 0.00 -1.02 1.69 -0.35 0.95 0.00 0.00 175.26 176.53 1gkg n PRO 1070N 7.45 2.63 -3.66 -4.83 -0.04 -1.26 -4.09 135.00 131.19 1gkg n PRO 1070Ca 0.19 -2.49 -0.14 0.00 -0.04 0.00 0.00 63.50 61.02 1gkg n PRO 1070Cb 0.43 -2.01 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 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 -0.80 -0.58 0.28 3.54 0.01 -1.26 -1.93 113.70 112.96 1gkg s SER 1071Ca 0.46 1.03 -0.02 0.00 1.31 0.00 0.00 55.95 58.73 1gkg s SER 1071Cb 0.38 1.04 -0.02 0.00 0.21 0.00 0.00 66.02 67.63 1gkg s SER 1071CO 0.10 -0.27 0.34 0.27 0.41 0.00 0.00 173.24 174.09 1gkg s ILE 1072N -0.01 0.00 -0.07 1.44 -4.36 -0.89 -4.99 121.20 112.32 1gkg s ILE 1072Ca -0.02 -1.75 -0.23 0.00 -0.26 0.00 0.00 60.65 58.38 1gkg s ILE 1072Cb -0.04 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.23 1gkg s ILE 1072CO 0.02 0.00 0.52 -0.72 0.24 0.00 0.00 174.94 175.00 1gkg s TYR 1073N -3.61 -0.47 0.09 1.37 -0.85 -1.26 -2.27 117.35 110.34 1gkg s TYR 1073Ca 0.33 0.89 -0.31 0.00 -0.52 0.00 0.00 57.07 57.46 1gkg s TYR 1073Cb 0.02 0.26 -0.09 0.00 0.38 0.00 0.00 41.96 42.53 1gkg s TYR 1073CO 0.17 -0.47 1.71 0.00 -1.52 0.00 0.00 175.55 175.45 1gkg s THR 1075N 2.63 0.01 0.47 0.00 -1.32 -0.88 -4.71 115.64 111.84 1gkg s THR 1075Ca 0.76 -0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.98 1gkg s THR 1075Cb -0.42 -0.91 -0.08 0.00 -1.51 0.00 0.00 72.50 69.58 1gkg s THR 1075CO 0.34 -0.03 1.05 -0.94 -2.21 0.00 0.00 174.62 172.82 1gkg s SER 1076N -0.56 6.39 0.00 8.08 1.04 -1.25 -4.10 113.70 123.30 1gkg s SER 1076Ca -0.07 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1gkg s SER 1076Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1gkg s SER 1076CO 0.05 -0.75 0.00 -0.46 0.98 0.00 0.00 173.24 173.06 1gkg n ASN 1077N -0.79 0.00 0.00 7.02 2.04 -1.21 -5.01 115.26 117.30 1gkg n ASN 1077Ca 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.23 1gkg n ASN 1077Cb 0.52 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.85 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 -1.52 0.00 0.00 0.53 2.03 -1.26 -5.03 116.55 111.29 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 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.62 0.23 -0.03 1.67 9.92 -1.26 -4.95 116.55 121.50 1gkg n ASP 1079Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1gkg n ASP 1079Cb 0.00 0.00 0.41 0.00 -0.64 0.00 0.00 41.12 40.89 1gkg n ASP 1079CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1gkg h GLN 1080N 0.00 0.58 0.26 -1.24 3.07 -2.00 -2.72 115.11 113.06 1gkg h GLN 1080Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1gkg h GLN 1080Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 1gkg h GLN 1080CO 0.00 0.38 -0.17 0.28 0.09 0.00 0.00 178.83 179.42 1gkg h VAL 1081N 0.60 0.65 0.00 1.86 2.07 -1.95 -3.38 116.25 116.09 1gkg h VAL 1081Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1gkg h VAL 1081Cb -0.00 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1gkg h VAL 1081CO -0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.16 1gkg n GLY 1082N -1.29 1.08 7.00 2.17 0.00 -1.03 -4.19 105.19 108.93 1gkg n GLY 1082Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1gkg n GLY 1082CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1gkg n ILE 1083N 0.00 0.00 -0.91 -0.61 -5.35 -1.26 -3.31 119.36 107.92 1gkg n ILE 1083Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1gkg n ILE 1083Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1gkg n ILE 1083CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1gkg n TRP 1084N -0.25 -1.44 0.16 4.28 7.02 -1.26 -2.07 117.44 123.88 1gkg n TRP 1084Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1gkg n TRP 1084Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1gkg n TRP 1084CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1gkg h SER 1085N 0.00 -0.36 0.00 -0.99 4.64 -1.51 -3.37 113.55 111.97 1gkg h SER 1085Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gkg h SER 1085Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1gkg h SER 1085CO 0.00 -0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.41 1gkg n GLY 1086N -0.13 1.15 3.77 -0.77 0.00 -1.26 -5.01 105.19 102.95 1gkg n GLY 1086Ca -0.05 0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1gkg n GLY 1086CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gkg s PRO 1087N -0.18 4.06 0.00 1.61 0.02 -1.26 -4.83 135.00 134.42 1gkg s PRO 1087Ca 0.00 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1gkg s PRO 1087Cb 0.00 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1gkg s PRO 1087CO 0.00 -0.36 0.00 0.00 -0.33 0.00 0.00 177.00 176.31 1gkg n ALA 1088N 0.19 0.00 -1.63 -1.55 0.00 -1.26 -5.14 120.51 111.12 1gkg n ALA 1088Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1gkg n ALA 1088Cb 0.45 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.95 1gkg n ALA 1088CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gkg n PRO 1089N -2.24 1.01 -3.70 0.00 -0.04 -1.26 -4.89 135.00 123.88 1gkg n PRO 1089Ca 0.00 0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1gkg n PRO 1089Cb 0.00 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.14 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N -2.75 0.46 0.04 0.54 0.74 -0.66 -4.81 119.66 113.20 1gkg s GLN 1090Ca 0.75 0.76 -0.14 0.00 0.05 0.00 0.00 55.36 56.77 1gkg s GLN 1090Cb -0.42 0.08 -0.06 0.00 1.10 0.00 0.00 33.01 33.71 1gkg s GLN 1090CO 0.47 -0.12 0.44 0.00 -0.55 0.00 0.00 175.29 175.53