#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg s ALA 958 N 0.00 3.75 -1.41 0.62 0.00 -1.26 -2.47 121.76 121.00 1gkg s ALA 958 Ca 0.00 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 1gkg s ALA 958 Cb 0.00 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1gkg s ALA 958 CO 0.00 -0.84 0.85 -1.91 0.00 0.00 0.00 175.76 173.86 1gkg n GLU 959 N 3.11 -5.35 -0.37 0.00 2.13 -1.26 -4.82 120.64 114.09 1gkg n GLU 959 Ca 0.11 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1gkg n GLU 959 Cb 0.38 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 26.74 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gkg n ALA 960 N -4.49 3.54 -1.95 4.31 0.00 -1.03 -4.87 120.51 116.02 1gkg n ALA 960 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1gkg n ALA 960 Cb 0.60 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.35 -5.30 -3.65 0.00 4.01 -1.26 -4.66 118.16 108.64 1gkg n LYS 961 Ca 0.00 3.78 -0.09 0.00 -0.51 0.00 0.00 58.31 61.49 1gkg n LYS 961 Cb 0.46 -4.07 -0.08 0.00 -0.51 0.00 0.00 35.03 30.83 1gkg n LYS 961 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1gkg s SER 962 N -0.89 -0.81 0.28 4.39 0.15 -1.26 -3.61 113.70 111.95 1gkg s SER 962 Ca 0.00 1.36 -0.28 0.00 0.70 0.00 0.00 55.95 57.73 1gkg s SER 962 Cb 0.00 1.26 -0.09 0.00 -1.71 0.00 0.00 66.02 65.47 1gkg s SER 962 CO 0.00 -0.23 0.95 0.00 1.20 0.00 0.00 173.24 175.16 1gkg s LYS 964 N -1.63 4.17 0.16 0.00 -2.85 -1.26 -4.79 119.74 113.54 1gkg s LYS 964 Ca 0.46 2.46 -0.31 0.00 -1.00 0.00 0.00 55.97 57.58 1gkg s LYS 964 Cb -0.22 -3.48 -0.09 0.00 -2.06 0.00 0.00 37.83 31.98 1gkg s LYS 964 CO 0.28 -0.76 1.40 -0.08 0.10 0.00 0.00 175.35 176.30 1gkg s THR 965 N 2.31 3.07 -0.31 3.79 -1.32 -1.26 -4.93 115.64 116.99 1gkg s THR 965 Ca 0.76 0.81 -0.28 0.00 -1.21 0.00 0.00 61.69 61.77 1gkg s THR 965 Cb -0.44 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.00 1gkg s THR 965 CO 0.34 0.09 1.99 -2.84 -2.21 0.00 0.00 174.62 171.99 1gkg s PRO 966 N 0.57 3.15 0.24 7.08 0.02 -1.26 -4.87 135.00 139.93 1gkg s PRO 966 Ca 0.63 1.60 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 1gkg s PRO 966 Cb -0.39 -4.29 0.44 0.00 0.02 0.00 0.00 34.50 30.28 1gkg s PRO 966 CO 0.34 -2.08 1.66 -1.35 -0.33 0.00 0.00 177.00 175.24 1gkg h PRO 967 N 14.19 0.17 0.00 5.54 0.11 -2.02 -3.43 132.00 146.57 1gkg h PRO 967 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gkg h PRO 967 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1gkg h PRO 967 CO 1.02 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1gkg n ASP 968 N -5.25 0.00 -4.73 -2.05 5.68 -1.26 -4.93 116.55 104.02 1gkg n ASP 968 Ca 0.14 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.08 1gkg n ASP 968 Cb 0.46 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.52 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 1gkg s PRO 969 N 0.00 2.33 -0.78 0.11 0.02 -1.06 -4.78 135.00 130.83 1gkg s PRO 969 Ca 0.00 1.82 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 1gkg s PRO 969 Cb 0.00 -1.85 -0.16 0.00 0.02 0.00 0.00 34.50 32.51 1gkg s PRO 969 CO 0.00 -1.71 2.58 0.28 -0.33 0.00 0.00 177.00 177.82 1gkg n VAL 970 N -2.43 -0.03 0.00 3.83 0.31 -1.26 -2.71 118.33 116.04 1gkg n VAL 970 Ca 0.14 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1gkg n VAL 970 Cb 0.50 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 12.61 0.00 -4.76 4.52 3.02 -1.26 -3.11 115.26 126.28 1gkg n ASN 971 Ca 0.54 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.70 1gkg n ASN 971 Cb 0.24 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 972 N 0.00 2.99 0.04 7.41 0.00 -1.10 -4.84 107.32 111.82 1gkg s GLY 972 Ca 0.00 0.91 -0.20 0.00 0.00 0.00 0.00 44.72 45.43 1gkg s GLY 972 CO 0.00 1.48 0.57 1.06 0.00 0.00 0.00 173.10 176.21 1gkg s MET 973 N -1.72 4.24 0.38 2.90 -1.94 0.84 -2.55 119.30 121.44 1gkg s MET 973 Ca 0.48 0.72 -0.16 0.00 -1.71 0.00 0.00 55.69 55.02 1gkg s MET 973 Cb -0.31 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.16 1gkg s MET 973 CO 0.40 0.54 0.83 0.54 -0.01 0.00 0.00 175.02 177.32 1gkg s VAL 974 N -0.77 4.59 -0.70 -6.03 0.11 -1.26 -2.16 120.40 114.18 1gkg s VAL 974 Ca 0.29 1.10 0.05 0.00 -2.93 0.00 0.00 61.98 60.49 1gkg s VAL 974 Cb -0.19 -3.63 0.20 0.00 -1.53 0.00 0.00 36.38 31.23 1gkg s VAL 974 CO 0.18 -0.32 0.63 1.41 -3.33 0.00 0.00 175.10 173.67 1gkg n HIS 975 N -0.69 3.46 -1.85 1.54 8.25 0.14 -4.96 115.22 121.12 1gkg n HIS 975 Ca 0.05 -4.22 -0.40 0.00 -0.26 0.00 0.00 57.72 52.89 1gkg n HIS 975 Cb 0.54 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 1gkg n HIS 975 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1gkg n VAL 976 N 1.55 2.80 0.00 1.59 0.31 -1.26 -2.50 118.33 120.81 1gkg n VAL 976 Ca 0.24 -2.67 0.00 0.00 -0.01 0.00 0.00 64.34 61.90 1gkg n VAL 976 Cb 0.37 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 1gkg n VAL 976 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1gkg n ILE 977 N 6.24 0.00 0.00 2.52 5.41 -1.26 -4.73 119.36 127.53 1gkg n ILE 977 Ca 0.49 0.47 0.00 0.00 1.00 0.00 0.00 62.75 64.72 1gkg n ILE 977 Cb 0.43 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 -1.21 0.00 -3.57 1.39 -2.24 -1.26 -5.00 114.28 102.38 1gkg n THR 978 Ca 0.00 0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1gkg n THR 978 Cb 0.00 -1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 66.72 1gkg n THR 978 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1gkg s ASP 979 N -2.18 -0.37 -0.08 3.42 1.47 -1.26 -5.01 116.67 112.67 1gkg s ASP 979 Ca 0.00 0.35 0.01 0.00 1.18 0.00 0.00 52.55 54.09 1gkg s ASP 979 Cb 0.00 0.31 0.14 0.00 -0.34 0.00 0.00 42.92 43.03 1gkg s ASP 979 CO 0.00 -0.37 1.07 2.30 0.68 0.00 0.00 175.17 178.84 1gkg n ILE 980 N 0.60 1.20 -3.32 2.11 -5.35 -1.26 -4.41 119.36 108.93 1gkg n ILE 980 Ca -0.10 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.72 1gkg n ILE 980 Cb 0.58 -0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 37.66 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 -0.83 3.77 0.44 6.28 -0.21 -1.26 -0.60 119.66 127.24 1gkg s GLN 981 Ca 0.11 0.25 -0.21 0.00 0.02 0.00 0.00 55.36 55.53 1gkg s GLN 981 Cb 0.09 -2.60 -0.13 0.00 1.00 0.00 0.00 33.01 31.36 1gkg s GLN 981 CO 0.02 0.24 0.36 0.28 -2.12 0.00 0.00 175.29 174.08 1gkg n VAL 982 N -0.49 1.37 0.00 1.09 0.31 -1.24 -1.96 118.33 117.42 1gkg n VAL 982 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1gkg n VAL 982 Cb 0.53 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 2.00 1.36 3.57 2.92 0.00 0.23 -4.97 105.19 110.31 1gkg n GLY 983 Ca 0.11 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 1.05 -0.24 1.61 0.01 -0.83 -4.67 113.70 110.64 1gkg s SER 984 Ca 0.00 0.82 -0.13 0.00 1.31 0.00 0.00 55.95 57.95 1gkg s SER 984 Cb 0.00 -1.20 0.08 0.00 0.21 0.00 0.00 66.02 65.11 1gkg s SER 984 CO 0.00 -4.06 0.57 -0.60 0.41 0.00 0.00 173.24 169.56 1gkg s ARG 985 N -5.22 0.57 0.00 12.44 3.00 -1.26 -0.33 118.95 128.14 1gkg s ARG 985 Ca 0.69 1.08 0.00 0.00 -1.00 0.00 0.00 55.73 56.51 1gkg s ARG 985 Cb -0.13 0.15 0.00 0.00 0.00 0.00 0.00 34.95 34.97 1gkg s ARG 985 CO 0.57 -0.16 0.00 0.44 0.00 0.00 0.00 175.30 176.15 1gkg n ILE 986 N 4.44 0.00 -3.71 4.11 -5.35 -0.90 -4.66 119.36 113.30 1gkg n ILE 986 Ca -0.20 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1gkg n ILE 986 Cb 0.56 -1.14 -0.12 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 1.36 -0.03 0.04 7.28 -4.23 -1.04 -3.23 115.64 115.78 1gkg s THR 987 Ca 0.00 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1gkg s THR 987 Cb 0.00 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.29 1gkg s THR 987 CO 0.00 0.05 0.23 -0.31 -0.54 0.00 0.00 174.62 174.04 1gkg s TYR 988 N 1.32 3.53 -0.16 3.99 1.51 0.06 0.28 117.35 127.89 1gkg s TYR 988 Ca -0.09 0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 56.23 1gkg s TYR 988 Cb -0.09 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1gkg s TYR 988 CO -0.11 0.60 0.40 -1.12 -1.11 0.00 0.00 175.55 174.21 1gkg s SER 989 N -2.18 -0.48 0.00 2.29 0.01 -0.92 -4.57 113.70 107.85 1gkg s SER 989 Ca 0.32 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1gkg s SER 989 Cb -0.13 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1gkg s SER 989 CO 0.23 -0.18 0.00 0.00 0.41 0.00 0.00 173.24 173.70 1gkg s THR 991 N 0.35 0.00 0.11 0.00 -1.32 -1.26 -4.33 115.64 109.18 1gkg s THR 991 Ca 0.00 -0.75 -0.36 0.00 -1.21 0.00 0.00 61.69 59.37 1gkg s THR 991 Cb 0.00 -2.62 -0.16 0.00 -1.51 0.00 0.00 72.50 68.21 1gkg s THR 991 CO 0.00 0.00 1.31 0.41 -2.21 0.00 0.00 174.62 174.13 1gkg n THR 992 N -0.58 0.20 -3.30 5.08 -1.04 -1.26 -2.25 114.28 111.13 1gkg n THR 992 Ca -0.05 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 1gkg n THR 992 Cb 0.60 -0.85 0.08 0.00 -1.82 0.00 0.00 70.33 68.33 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 2.44 -0.28 3.22 3.41 0.00 -1.26 -5.03 105.19 107.69 1gkg n GLY 993 Ca 0.18 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1gkg n GLY 993 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gkg s HIS 994 N -3.31 -0.68 -0.36 1.61 5.04 -0.95 -4.47 115.29 112.16 1gkg s HIS 994 Ca 0.09 1.36 -0.27 0.00 -1.54 0.00 0.00 55.06 54.71 1gkg s HIS 994 Cb -0.04 0.23 0.02 0.00 0.04 0.00 0.00 32.58 32.83 1gkg s HIS 994 CO 0.64 -0.42 1.00 0.50 -2.34 0.00 0.00 174.74 174.12 1gkg s ARG 995 N 2.28 3.90 -0.01 2.88 3.52 0.48 -4.60 118.95 127.42 1gkg s ARG 995 Ca -0.03 0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 1gkg s ARG 995 Cb -0.11 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1gkg s ARG 995 CO -0.12 -0.98 1.14 -1.17 -0.81 0.00 0.00 175.30 173.36 1gkg s LEU 996 N 3.65 4.32 -0.08 -0.88 2.96 -1.26 -0.08 118.68 127.31 1gkg s LEU 996 Ca 0.42 1.83 -0.08 0.00 -0.22 0.00 0.00 54.13 56.08 1gkg s LEU 996 Cb -0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1gkg s LEU 996 CO 0.19 -0.47 0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 1gkg s ILE 997 N 1.57 5.41 0.06 6.68 1.09 0.15 -4.96 121.20 131.19 1gkg s ILE 997 Ca 0.55 0.28 0.00 0.00 -1.10 0.00 0.00 60.65 60.38 1gkg s ILE 997 Cb -0.25 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1gkg s ILE 997 CO 0.25 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 176.28 1gkg n GLY 998 N 1.81 -1.75 3.74 6.18 0.00 -1.26 -2.45 105.19 111.47 1gkg n GLY 998 Ca -0.18 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.74 3.57 0.00 1.61 3.76 -1.26 -4.90 115.29 116.33 1gkg s HIS 999 Ca 0.00 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 1gkg s HIS 999 Cb 0.00 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1gkg s HIS 999 CO 0.00 -0.66 0.87 -1.13 -0.85 0.00 0.00 174.74 172.97 1gkg n SER 1000N 2.12 2.54 -3.51 1.40 3.41 -1.26 -4.69 113.62 113.62 1gkg n SER 1000Ca 0.02 -1.61 -0.15 0.00 -0.26 0.00 0.00 58.87 56.87 1gkg n SER 1000Cb 0.46 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1gkg n SER 1000CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1gkg s SER 1001N 1.13 -0.57 -0.16 4.04 0.01 -1.26 -0.76 113.70 116.12 1gkg s SER 1001Ca 0.00 0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.68 1gkg s SER 1001Cb 0.00 0.49 0.06 0.00 0.21 0.00 0.00 66.02 66.78 1gkg s SER 1001CO 0.00 -0.62 0.39 0.00 0.41 0.00 0.00 173.24 173.42 1gkg s ALA 1002N -1.69 -0.98 -0.21 1.44 0.00 -1.20 -4.74 121.76 114.38 1gkg s ALA 1002Ca -0.06 1.45 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 1gkg s ALA 1002Cb -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1gkg s ALA 1002CO 0.04 -0.30 0.57 -2.00 0.00 0.00 0.00 175.76 174.07 1gkg s GLU 1003N 1.50 4.17 -1.19 0.00 2.12 -1.26 -2.11 118.70 121.92 1gkg s GLU 1003Ca -0.09 0.49 -0.22 0.00 0.36 0.00 0.00 54.97 55.51 1gkg s GLU 1003Cb -0.09 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.63 1gkg s GLU 1003CO -0.12 -0.23 1.93 0.00 -0.54 0.00 0.00 175.26 176.29 1gkg n ILE 1005N 7.75 0.00 -3.65 0.00 -5.35 0.31 -0.60 119.36 117.82 1gkg n ILE 1005Ca 0.45 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.90 1gkg n ILE 1005Cb 0.46 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 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 -1.00 -0.48 7.28 0.20 -1.26 -1.91 118.68 121.51 1gkg s LEU 1006Ca 0.00 1.45 -0.03 0.00 0.69 0.00 0.00 54.13 56.24 1gkg s LEU 1006Cb 0.00 2.13 0.15 0.00 -0.43 0.00 0.00 46.19 48.04 1gkg s LEU 1006CO 0.00 -0.22 2.48 -1.20 -0.29 0.00 0.00 176.35 177.11 1gkg n SER 1007N 5.25 6.67 0.00 3.68 7.64 -0.48 -4.88 113.62 131.50 1gkg n SER 1007Ca -0.13 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.47 1gkg n SER 1007Cb 0.51 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1gkg n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkg n GLY 1008N 0.49 1.17 0.39 0.23 0.00 -1.26 -4.46 105.19 101.74 1gkg n GLY 1008Ca 0.46 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1gkg n GLY 1008CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gkg h ASN 1009N 0.00 -0.80 -2.04 1.61 2.35 -2.03 -3.48 115.58 111.19 1gkg h ASN 1009Ca 0.00 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1gkg h ASN 1009Cb 0.00 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1gkg h ASN 1009CO 0.00 -0.42 -0.01 1.07 -1.65 0.00 0.00 177.43 176.42 1gkg n THR 1010N -5.37 0.00 -2.51 2.81 5.66 -1.26 -5.14 114.28 108.46 1gkg n THR 1010Ca -0.12 -0.42 -0.41 0.00 -3.05 0.00 0.00 64.05 60.06 1gkg n THR 1010Cb 0.37 0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 69.39 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 -1.74 3.38 0.01 1.79 0.00 -1.26 -1.39 121.76 122.55 1gkg s ALA 1011Ca 0.07 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.72 1gkg s ALA 1011Cb -0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1gkg s ALA 1011CO 0.05 -0.19 0.30 -1.01 0.00 0.00 0.00 175.76 174.91 1gkg s HIS 1012N -0.48 -0.14 0.03 0.00 3.76 -0.80 -4.04 115.29 113.62 1gkg s HIS 1012Ca 0.48 0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 55.23 1gkg s HIS 1012Cb -0.30 0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.42 1gkg s HIS 1012CO 0.36 -0.42 1.30 -1.58 -0.85 0.00 0.00 174.74 173.55 1gkg s TRP 1013N -1.76 3.16 0.57 1.40 0.52 -1.26 -0.53 118.94 121.03 1gkg s TRP 1013Ca -0.11 1.06 0.29 0.00 0.02 0.00 0.00 56.10 57.37 1gkg s TRP 1013Cb -0.04 -3.55 1.47 0.00 -1.15 0.00 0.00 33.47 30.21 1gkg s TRP 1013CO 0.02 -1.86 1.92 1.03 0.02 0.00 0.00 176.95 178.07 1gkg h SER 1014N 7.27 0.00 -3.21 2.95 0.87 -1.34 -3.41 113.55 116.69 1gkg h SER 1014Ca -0.39 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.50 1gkg h SER 1014Cb 1.19 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.02 1gkg h SER 1014CO 0.86 0.00 -0.60 0.42 -0.53 0.00 0.00 176.83 176.98 1gkg s THR 1015N -4.78 4.50 0.61 2.23 -4.23 -1.26 -4.99 115.64 107.71 1gkg s THR 1015Ca -0.05 -0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 1gkg s THR 1015Cb 0.18 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1gkg s THR 1015CO 0.64 0.50 1.11 2.29 -0.54 0.00 0.00 174.62 178.62 1gkg n LYS 1016N 1.74 1.07 -1.40 3.99 2.85 -1.26 -4.77 118.16 120.37 1gkg n LYS 1016Ca -0.17 0.41 -0.52 0.00 -1.05 0.00 0.00 58.31 56.99 1gkg n LYS 1016Cb 0.53 -2.33 -0.09 0.00 -0.65 0.00 0.00 35.03 32.50 1gkg n LYS 1016CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1gkg n PRO 1017N -1.27 0.73 -1.72 -1.58 -0.04 -1.26 -4.81 135.00 125.05 1gkg n PRO 1017Ca 0.14 0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 63.41 1gkg n PRO 1017Cb 0.47 -2.20 0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1gkg n PRO 1018N 8.08 1.28 -3.74 0.54 -0.02 -1.26 -4.97 135.00 134.90 1gkg n PRO 1018Ca 0.46 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1gkg n PRO 1018Cb 0.16 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.02 1gkg n PRO 1018CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1gkg s ILE 1019N -1.37 -0.01 0.49 4.25 2.07 -1.03 -4.51 121.20 121.09 1gkg s ILE 1019Ca 0.78 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 60.01 1gkg s ILE 1019Cb -0.40 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1gkg s ILE 1019CO 0.44 0.02 0.81 0.00 -1.91 0.00 0.00 174.94 174.30 1gkg s GLN 1021N -4.68 0.37 0.12 0.00 0.74 0.89 -4.86 119.66 112.24 1gkg s GLN 1021Ca 0.48 1.00 -0.31 0.00 0.05 0.00 0.00 55.36 56.59 1gkg s GLN 1021Cb -0.10 0.28 -0.09 0.00 1.10 0.00 0.00 33.01 34.19 1gkg s GLN 1021CO 0.44 -0.33 1.62 -0.98 -0.55 0.00 0.00 175.29 175.49 1gkg s ARG 1022N 2.65 4.20 0.03 1.67 3.03 -1.26 -0.38 118.95 128.89 1gkg s ARG 1022Ca 0.02 2.37 -0.30 0.00 2.03 0.00 0.00 55.73 59.84 1gkg s ARG 1022Cb -0.13 -3.36 -0.06 0.00 -1.03 0.00 0.00 34.95 30.37 1gkg s ARG 1022CO -0.15 -0.68 1.36 0.42 -1.13 0.00 0.00 175.30 175.13 1gkg s ILE 1023N 1.86 3.70 0.13 4.99 1.01 -1.26 -4.89 121.20 126.74 1gkg s ILE 1023Ca 0.72 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 62.19 1gkg s ILE 1023Cb -0.42 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1gkg s ILE 1023CO 0.32 0.03 1.76 -2.16 0.00 0.00 0.00 174.94 174.89 1gkg s PRO 1024N 1.98 4.15 -0.12 2.79 0.04 -1.19 -4.28 135.00 138.37 1gkg s PRO 1024Ca 0.63 2.54 -0.11 0.00 0.04 0.00 0.00 61.00 64.09 1gkg s PRO 1024Cb -0.32 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 1gkg s PRO 1024CO 0.27 -0.79 0.25 0.00 0.04 0.00 0.00 177.00 176.77 1gkg s GLY 1026N -0.31 2.21 0.14 0.00 0.00 -0.77 -4.38 107.32 104.21 1gkg s GLY 1026Ca 0.16 0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 1gkg s GLY 1026CO 0.05 0.24 0.66 1.04 0.00 0.00 0.00 173.10 175.09 1gkg n LEU 1027N -0.77 -0.87 -4.76 0.66 7.99 -1.26 -4.76 117.00 113.23 1gkg n LEU 1027Ca 0.04 1.11 -0.38 0.00 -0.01 0.00 0.00 56.01 56.76 1gkg n LEU 1027Cb 0.54 -0.92 0.02 0.00 -0.11 0.00 0.00 43.42 42.95 1gkg n LEU 1027CO 0.43 -2.61 0.96 -2.16 -1.51 0.00 0.00 177.39 172.50 1gkg s PRO 1028N -0.69 3.50 -0.82 3.23 0.04 -1.26 -4.82 135.00 134.18 1gkg s PRO 1028Ca 0.70 2.14 -0.22 0.00 0.04 0.00 0.00 61.00 63.65 1gkg s PRO 1028Cb -1.00 -2.43 -0.18 0.00 0.04 0.00 0.00 34.50 30.92 1gkg s PRO 1028CO 0.55 -0.87 2.36 -2.30 0.04 0.00 0.00 177.00 176.78 1gkg n PRO 1029N -0.58 0.45 -2.53 0.56 -0.02 -1.26 -4.87 135.00 126.75 1gkg n PRO 1029Ca 0.08 -0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 60.57 1gkg n PRO 1029Cb 0.45 -2.97 -0.02 0.00 -0.02 0.00 0.00 33.50 30.93 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 10.97 4.42 -0.24 3.45 -4.23 -1.26 -4.81 115.64 123.93 1gkg s THR 1030Ca 1.04 1.69 -0.25 0.00 -1.18 0.00 0.00 61.69 62.99 1gkg s THR 1030Cb -0.34 -4.18 -0.00 0.00 1.34 0.00 0.00 72.50 69.32 1gkg s THR 1030CO 0.22 -0.25 0.83 0.27 -0.54 0.00 0.00 174.62 175.16 1gkg s ILE 1031N 3.56 4.83 0.28 2.99 -4.36 -1.26 -4.99 121.20 122.24 1gkg s ILE 1031Ca 0.50 1.56 -0.26 0.00 -0.26 0.00 0.00 60.65 62.19 1gkg s ILE 1031Cb -0.18 -4.12 -0.15 0.00 1.25 0.00 0.00 42.46 39.26 1gkg s ILE 1031CO 0.13 -0.08 0.61 0.00 0.24 0.00 0.00 174.94 175.84 1gkg n ALA 1032N 6.02 -1.99 0.00 2.27 0.00 -1.26 -0.16 120.51 125.39 1gkg n ALA 1032Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1gkg n ALA 1032Cb 0.47 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.72 0.00 -4.66 0.00 5.03 -1.26 -4.77 115.26 111.32 1gkg n ASN 1033Ca 0.14 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.17 1gkg n ASN 1033Cb 0.31 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.04 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1gkg s GLY 1034N 0.00 1.58 0.82 7.41 0.00 0.78 -1.71 107.32 116.20 1gkg s GLY 1034Ca 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 44.72 45.39 1gkg s GLY 1034CO 0.00 2.85 1.15 0.99 0.00 0.00 0.00 173.10 178.09 1gkg s ASP 1035N 2.86 4.14 -0.16 1.64 1.11 -1.26 -4.58 116.67 120.40 1gkg s ASP 1035Ca 0.67 0.38 -0.11 0.00 0.18 0.00 0.00 52.55 53.67 1gkg s ASP 1035Cb -0.29 -0.77 0.05 0.00 1.07 0.00 0.00 42.92 42.98 1gkg s ASP 1035CO 0.24 -2.07 0.41 0.72 1.18 0.00 0.00 175.17 175.65 1gkg s PHE 1036N -3.53 -0.55 -0.60 4.23 -0.12 -1.25 -2.52 117.98 113.65 1gkg s PHE 1036Ca 0.66 1.22 0.01 0.00 -0.05 0.00 0.00 56.93 58.77 1gkg s PHE 1036Cb -0.08 0.22 0.41 0.00 -0.63 0.00 0.00 43.02 42.95 1gkg s PHE 1036CO 0.48 -0.30 1.66 -0.89 -0.05 0.00 0.00 175.22 176.12 1gkg n ILE 1037N 3.75 3.12 0.00 -4.49 5.41 -0.61 -4.89 119.36 121.65 1gkg n ILE 1037Ca -0.20 -4.06 0.00 0.00 1.00 0.00 0.00 62.75 59.49 1gkg n ILE 1037Cb 0.56 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 1gkg n ILE 1037CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1gkg n SER 1038N -0.66 0.00 0.00 4.38 3.41 -1.26 -4.55 113.62 114.94 1gkg n SER 1038Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1gkg n SER 1038Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1gkg n SER 1038CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1gkg n THR 1039N 0.00 0.00 -0.33 6.66 -1.04 -1.26 -4.93 114.28 113.38 1gkg n THR 1039Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1gkg n THR 1039Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 1gkg n THR 1039CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1gkg h ASN 1040N 0.00 0.80 0.00 8.00 7.08 -1.95 -3.45 115.58 126.06 1gkg h ASN 1040Ca 0.00 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1gkg h ASN 1040Cb 0.00 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.15 1gkg h ASN 1040CO 0.00 0.37 0.00 0.54 -2.08 0.00 0.00 177.43 176.26 1gkg n ARG 1041N -4.64 0.00 0.00 4.14 5.12 -1.26 -4.50 116.66 115.52 1gkg n ARG 1041Ca 0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1gkg n ARG 1041Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkg n GLU 1042N 2.01 0.67 -1.67 5.56 1.02 -1.26 -4.95 120.64 122.02 1gkg n GLU 1042Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1gkg n GLU 1042Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1gkg n GLU 1042CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gkg n ASN 1043N 0.00 1.85 -3.64 1.62 0.23 -1.26 -4.90 115.26 109.16 1gkg n ASN 1043Ca 0.00 0.98 -0.07 0.00 -0.53 0.00 0.00 54.58 54.96 1gkg n ASN 1043Cb 0.00 -1.46 -0.07 0.00 -2.08 0.00 0.00 39.78 36.17 1gkg n ASN 1043CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1gkg s PHE 1044N -1.32 -1.08 0.04 -2.53 -0.12 -1.26 -5.01 117.98 106.70 1gkg s PHE 1044Ca 0.68 2.13 -0.16 0.00 -0.05 0.00 0.00 56.93 59.53 1gkg s PHE 1044Cb -0.47 0.64 -0.25 0.00 -0.63 0.00 0.00 43.02 42.31 1gkg s PHE 1044CO 0.53 -0.54 1.12 0.45 -0.05 0.00 0.00 175.22 176.73 1gkg h HIS 1045N 7.08 0.89 0.00 3.49 3.86 -1.88 -2.67 115.15 125.92 1gkg h HIS 1045Ca -0.29 -0.51 0.00 0.00 -1.16 0.00 0.00 60.37 58.41 1gkg h HIS 1045Cb 1.22 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1gkg h HIS 1045CO 0.06 1.35 0.00 0.98 0.86 0.00 0.00 177.93 181.18 1gkg n TYR 1046N -3.96 0.00 -1.70 2.45 9.36 -1.26 -0.64 117.16 121.41 1gkg n TYR 1046Ca -0.12 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.10 1gkg n TYR 1046Cb 0.84 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.55 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 -0.20 -3.27 0.00 2.98 0.00 -1.26 -5.05 105.19 98.40 1gkg n GLY 1047Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1gkg n GLY 1047CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gkg n SER 1048N 0.24 0.00 -4.13 1.61 2.88 -1.26 -5.01 113.62 107.96 1gkg n SER 1048Ca -0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.40 1gkg n SER 1048Cb 0.08 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.44 1gkg n SER 1048CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1gkg s VAL 1049N -2.00 0.46 -0.03 2.46 -7.23 -1.26 -2.67 120.40 110.14 1gkg s VAL 1049Ca 0.00 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1gkg s VAL 1049Cb 0.00 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.41 1gkg s VAL 1049CO 0.00 -0.91 -0.07 0.68 -0.31 0.00 0.00 175.10 174.49 1gkg s VAL 1050N -3.63 0.66 -0.27 1.32 -7.23 -0.75 -4.15 120.40 106.36 1gkg s VAL 1050Ca 0.08 -0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 1gkg s VAL 1050Cb 0.06 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 1gkg s VAL 1050CO -0.07 0.22 0.11 -0.89 -0.31 0.00 0.00 175.10 174.16 1gkg s THR 1051N 0.35 4.53 0.61 5.32 2.01 -1.26 -2.26 115.64 124.95 1gkg s THR 1051Ca -0.05 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1gkg s THR 1051Cb -0.09 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1gkg s THR 1051CO 0.00 0.27 1.01 -0.31 -0.69 0.00 0.00 174.62 174.90 1gkg s TYR 1052N 1.64 3.62 0.00 4.92 1.51 0.06 -1.58 117.35 127.51 1gkg s TYR 1052Ca 0.06 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.37 1gkg s TYR 1052Cb -0.16 -2.69 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 1gkg s TYR 1052CO 0.05 -0.67 0.00 0.54 -1.11 0.00 0.00 175.55 174.37 1gkg n ARG 1053N -2.72 0.00 -1.19 -0.62 1.74 -1.05 -4.92 116.66 107.91 1gkg n ARG 1053Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1gkg n ARG 1053Cb 0.54 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gkg n ASN 1055N 0.73 0.00 -1.24 0.00 5.03 -0.69 -4.77 115.26 114.32 1gkg n ASN 1055Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1gkg n ASN 1055Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1gkg n LEU 1056N 0.00 -4.32 -0.04 3.41 4.77 -0.95 -4.87 117.00 115.01 1gkg n LEU 1056Ca 0.00 1.80 -0.01 0.00 -0.03 0.00 0.00 56.01 57.77 1gkg n LEU 1056Cb 0.00 -1.87 -0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1gkg n LEU 1056CO 0.00 -0.75 -0.07 1.23 -1.33 0.00 0.00 177.39 176.47 1gkg h GLY 1057N 2.13 0.00 -3.90 -0.72 0.00 -1.85 -3.36 103.07 95.36 1gkg h GLY 1057Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1gkg h GLY 1057CO 0.00 0.00 0.40 -1.26 0.00 0.00 0.00 176.54 175.68 1gkg n SER 1058N -3.99 6.48 -4.37 0.19 2.88 -1.26 -4.80 113.62 108.75 1gkg n SER 1058Ca -0.01 -3.13 -0.36 0.00 -1.33 0.00 0.00 58.87 54.04 1gkg n SER 1058Cb 0.05 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.29 1gkg n SER 1058CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1gkg n ARG 1059N 0.56 -0.83 0.00 -1.46 0.00 -1.26 -4.00 116.66 109.67 1gkg n ARG 1059Ca 0.38 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 1gkg n ARG 1059Cb 0.58 -4.04 0.00 0.00 -0.00 0.00 0.00 32.46 29.00 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 -1.79 0.21 3.43 2.89 0.00 -1.26 -5.11 105.19 103.56 1gkg n GLY 1060Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1gkg n GLY 1060CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gkg n ARG 1061N 0.00 0.47 -1.85 1.61 0.63 -1.26 -4.70 116.66 111.58 1gkg n ARG 1061Ca 0.00 0.18 -0.22 0.00 -0.92 0.00 0.00 57.85 56.89 1gkg n ARG 1061Cb 0.00 -1.46 -0.09 0.00 0.45 0.00 0.00 32.46 31.37 1gkg n ARG 1061CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1gkg s LYS 1062N -1.56 1.86 -0.39 -0.14 2.20 -1.26 -4.64 119.74 115.80 1gkg s LYS 1062Ca 0.63 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 1gkg s LYS 1062Cb -0.58 -5.12 0.17 0.00 -1.51 0.00 0.00 37.83 30.80 1gkg s LYS 1062CO 0.58 -4.72 0.53 0.14 -0.36 0.00 0.00 175.35 171.52 1gkg s VAL 1063N 13.92 -0.73 0.33 4.02 -7.23 -1.26 -5.09 120.40 124.37 1gkg s VAL 1063Ca 0.75 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1gkg s VAL 1063Cb -0.03 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.64 1gkg s VAL 1063CO 0.16 -0.24 0.00 0.49 -0.31 0.00 0.00 175.10 175.20 1gkg n PHE 1064N 4.34 -2.62 -3.81 2.82 3.01 -1.26 -2.24 117.46 117.71 1gkg n PHE 1064Ca 0.11 1.41 -0.12 0.00 1.01 0.00 0.00 57.45 59.85 1gkg n PHE 1064Cb 0.52 -2.45 -0.11 0.00 -0.01 0.00 0.00 39.48 37.43 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 -4.72 0.35 0.60 -1.08 0.41 -1.04 -4.50 118.70 108.73 1gkg s GLU 1065Ca 0.00 0.09 -0.18 0.00 -0.41 0.00 0.00 54.97 54.47 1gkg s GLU 1065Cb 0.00 0.16 -0.03 0.00 -1.78 0.00 0.00 34.13 32.48 1gkg s GLU 1065CO 0.00 -0.07 1.14 -1.17 -0.49 0.00 0.00 175.26 174.68 1gkg s LEU 1066N -0.38 3.61 -0.01 1.80 2.96 -1.23 0.49 118.68 125.91 1gkg s LEU 1066Ca -0.05 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1gkg s LEU 1066Cb -0.03 -4.58 0.01 0.00 0.50 0.00 0.00 46.19 42.09 1gkg s LEU 1066CO 0.01 -1.46 -0.01 -0.69 -1.32 0.00 0.00 176.35 172.87 1gkg s VAL 1067N -1.92 0.16 0.00 1.68 1.01 0.55 -4.86 120.40 117.03 1gkg s VAL 1067Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1gkg s VAL 1067Cb -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1gkg s VAL 1067CO 0.33 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1gkg n GLY 1068N 3.44 -0.12 3.71 4.51 0.00 -1.26 -1.82 105.19 113.65 1gkg n GLY 1068Ca -0.18 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 4.19 -0.02 1.61 -1.05 -1.26 -4.91 118.70 117.26 1gkg s GLU 1069Ca 0.00 2.41 0.16 0.00 -0.15 0.00 0.00 54.97 57.39 1gkg s GLU 1069Cb 0.00 -3.27 0.50 0.00 -0.44 0.00 0.00 34.13 30.92 1gkg s GLU 1069CO 0.00 -0.67 1.41 -0.35 0.95 0.00 0.00 175.26 176.59 1gkg n PRO 1070N 4.45 2.47 -3.62 -4.83 -0.04 -1.26 -3.83 135.00 128.33 1gkg n PRO 1070Ca 0.15 -2.02 -0.15 0.00 -0.04 0.00 0.00 63.50 61.43 1gkg n PRO 1070Cb 0.38 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gkg s SER 1071N -0.95 -0.57 0.26 3.54 1.04 -1.26 -0.76 113.70 115.00 1gkg s SER 1071Ca 0.37 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.65 1gkg s SER 1071Cb 0.21 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 67.09 1gkg s SER 1071CO 0.24 -0.42 0.23 0.27 0.98 0.00 0.00 173.24 174.53 1gkg s ILE 1072N -0.59 0.00 -0.09 -1.02 -4.36 -0.96 -4.96 121.20 109.22 1gkg s ILE 1072Ca -0.07 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.07 1gkg s ILE 1072Cb -0.03 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.26 1gkg s ILE 1072CO 0.05 0.00 0.69 -0.72 0.24 0.00 0.00 174.94 175.20 1gkg s TYR 1073N -3.80 -0.68 0.29 1.37 -0.85 -1.26 -1.81 117.35 110.61 1gkg s TYR 1073Ca 0.39 1.28 -0.29 0.00 -0.52 0.00 0.00 57.07 57.92 1gkg s TYR 1073Cb 0.04 0.38 -0.10 0.00 0.38 0.00 0.00 41.96 42.67 1gkg s TYR 1073CO 0.19 -0.57 1.40 0.00 -1.52 0.00 0.00 175.55 175.05 1gkg n THR 1075N 1.57 0.00 -1.46 0.00 5.66 -1.14 -4.66 114.28 114.25 1gkg n THR 1075Ca 0.04 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.06 1gkg n THR 1075Cb 0.41 0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1gkg n THR 1075CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkg n SER 1076N 0.00 -6.79 -2.22 1.09 3.41 0.16 -4.95 113.62 104.32 1gkg n SER 1076Ca 0.00 1.48 -0.01 0.00 -0.26 0.00 0.00 58.87 60.07 1gkg n SER 1076Cb 0.51 -4.45 0.07 0.00 -0.26 0.00 0.00 64.21 60.08 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1gkg n ASN 1077N -2.75 -0.90 0.00 4.04 2.04 -1.26 -4.91 115.26 111.52 1gkg n ASN 1077Ca -0.01 -1.73 0.00 0.00 -0.44 0.00 0.00 54.58 52.39 1gkg n ASN 1077Cb 0.42 0.44 0.00 0.00 -2.53 0.00 0.00 39.78 38.11 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 -0.89 0.00 -0.89 0.53 2.03 -1.26 -5.07 116.55 111.01 1gkg n ASP 1078Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1gkg n ASP 1078Cb 0.72 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gkg n ASP 1079N 0.00 -5.41 -0.34 1.67 8.00 -1.26 -4.82 116.55 114.39 1gkg n ASP 1079Ca 0.00 0.67 -0.04 0.00 0.71 0.00 0.00 54.79 56.13 1gkg n ASP 1079Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkg n GLN 1080N -0.43 -0.29 -3.15 -1.24 6.02 -1.26 -4.98 117.38 112.05 1gkg n GLN 1080Ca 0.00 0.55 0.04 0.00 -0.01 0.00 0.00 57.00 57.59 1gkg n GLN 1080Cb 0.00 -4.23 -0.01 0.00 1.02 0.00 0.00 30.24 27.02 1gkg n GLN 1080CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1gkg s VAL 1081N -2.16 -0.83 -1.12 5.09 -7.23 -1.26 -5.06 120.40 107.82 1gkg s VAL 1081Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1gkg s VAL 1081Cb 0.00 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1gkg s VAL 1081CO 0.00 0.00 2.27 0.61 -0.31 0.00 0.00 175.10 177.67 1gkg n GLY 1082N 5.44 3.43 3.75 2.32 0.00 -0.73 -4.37 105.19 115.04 1gkg n GLY 1082Ca -0.02 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 3.48 4.32 0.00 -0.61 1.01 -1.26 -1.84 121.20 126.30 1gkg s ILE 1083Ca 0.51 1.90 0.00 0.00 0.00 0.00 0.00 60.65 63.07 1gkg s ILE 1083Cb 0.13 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1gkg s ILE 1083CO -0.01 0.46 0.00 0.79 0.00 0.00 0.00 174.94 176.18 1gkg n TRP 1084N 1.90 -0.16 -0.02 3.97 7.02 -1.26 -0.67 117.44 128.21 1gkg n TRP 1084Ca -0.03 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1gkg n TRP 1084Cb 0.48 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1gkg n TRP 1084CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1gkg h SER 1085N 0.00 0.00 0.00 -0.99 0.87 -1.80 -3.39 113.55 108.24 1gkg h SER 1085Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1gkg h SER 1085Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1gkg h SER 1085CO 0.00 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 1gkg n GLY 1086N 1.89 1.28 2.11 5.77 0.00 -1.26 -5.04 105.19 109.95 1gkg n GLY 1086Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1gkg n GLY 1086CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gkg n PRO 1087N -0.07 2.26 -0.13 1.61 -0.04 -1.26 -4.61 135.00 132.77 1gkg n PRO 1087Ca 0.00 -1.35 -0.11 0.00 -0.04 0.00 0.00 63.50 62.01 1gkg n PRO 1087Cb 0.00 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg h ALA 1088N 3.22 0.50 -1.34 0.55 0.00 -1.94 -3.45 119.26 116.80 1gkg h ALA 1088Ca 0.29 -0.25 -0.67 0.00 0.00 0.00 0.00 54.91 54.28 1gkg h ALA 1088Cb 1.27 -0.14 0.10 0.00 0.00 0.00 0.00 17.79 19.02 1gkg h ALA 1088CO 0.49 0.27 -0.18 -2.30 0.00 0.00 0.00 179.25 177.54 1gkg n PRO 1089N -4.48 0.49 -4.39 0.00 -0.02 -1.25 -4.79 135.00 120.56 1gkg n PRO 1089Ca -0.01 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.39 1gkg n PRO 1089Cb 0.28 -1.40 -0.17 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.88 1.53 -1.20 -0.52 -1.52 -0.76 -4.88 119.66 111.43 1gkg s GLN 1090Ca 0.68 -0.33 -0.08 0.00 -1.95 0.00 0.00 55.36 53.67 1gkg s GLN 1090Cb -0.91 -1.35 0.22 0.00 -0.22 0.00 0.00 33.01 30.74 1gkg s GLN 1090CO 0.56 -0.05 1.63 0.00 -0.25 0.00 0.00 175.29 177.19