#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 3.66 -1.31 -1.84 0.00 -1.26 -2.64 121.76 118.37 1gkg s ALA 958 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 1gkg s ALA 958 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1gkg s ALA 958 CO 0.00 -0.92 1.00 -1.91 0.00 0.00 0.00 175.76 173.93 1gkg n GLU 959 N 1.76 -6.59 -0.52 0.00 2.13 -1.26 -4.84 120.64 111.33 1gkg n GLU 959 Ca 0.06 0.77 -0.01 0.00 0.66 0.00 0.00 57.16 58.64 1gkg n GLU 959 Cb 0.39 -5.70 -0.01 0.00 0.27 0.00 0.00 31.44 26.39 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 4.09 -1.77 4.31 0.00 -1.08 -4.89 120.51 116.68 1gkg n ALA 960 Ca -0.16 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 1gkg n ALA 960 Cb 0.62 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 0.10 4.61 -0.21 0.00 1.02 -1.26 -4.99 119.74 119.01 1gkg s LYS 961 Ca 0.04 1.54 -0.22 0.00 0.02 0.00 0.00 55.97 57.35 1gkg s LYS 961 Cb 0.02 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1gkg s LYS 961 CO 0.00 0.26 0.62 -1.54 -0.92 0.00 0.00 175.35 173.77 1gkg s SER 962 N -1.27 -0.64 0.10 2.83 1.04 -1.22 -4.46 113.70 110.08 1gkg s SER 962 Ca 0.47 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.78 1gkg s SER 962 Cb -0.25 1.19 -0.05 0.00 0.10 0.00 0.00 66.02 67.00 1gkg s SER 962 CO 0.32 -0.25 0.97 0.00 0.98 0.00 0.00 173.24 175.25 1gkg s LYS 964 N 0.13 4.16 -0.13 0.00 2.47 -1.26 -4.71 119.74 120.40 1gkg s LYS 964 Ca 0.48 2.36 -0.35 0.00 -1.56 0.00 0.00 55.97 56.90 1gkg s LYS 964 Cb -0.23 -2.96 -0.13 0.00 -1.46 0.00 0.00 37.83 33.06 1gkg s LYS 964 CO 0.30 -0.41 1.85 2.41 0.16 0.00 0.00 175.35 179.65 1gkg n THR 965 N 0.50 0.51 -1.59 3.43 -1.04 -1.26 -4.83 114.28 110.00 1gkg n THR 965 Ca 0.01 -0.09 -0.45 0.00 -2.04 0.00 0.00 64.05 61.48 1gkg n THR 965 Cb 0.41 -1.73 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 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 6.31 1.97 -2.12 -2.82 -0.02 -1.26 -4.93 135.00 132.13 1gkg n PRO 966 Ca 0.23 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1gkg n PRO 966 Cb 0.26 -3.02 -0.03 0.00 -0.02 0.00 0.00 33.50 30.69 1gkg n PRO 966 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 967 N 5.82 4.33 -0.51 0.52 0.02 -1.26 -4.77 135.00 139.15 1gkg s PRO 967 Ca 1.00 2.17 -0.35 0.00 0.02 0.00 0.00 61.00 63.84 1gkg s PRO 967 Cb -0.47 -3.16 -0.14 0.00 0.02 0.00 0.00 34.50 30.75 1gkg s PRO 967 CO 0.40 -0.34 2.31 -0.40 -0.33 0.00 0.00 177.00 178.64 1gkg n ASP 968 N 2.59 1.60 -2.99 2.53 5.75 -1.26 -4.92 116.55 119.84 1gkg n ASP 968 Ca 0.07 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1gkg n ASP 968 Cb 0.42 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1gkg n PRO 969 N 8.26 2.84 -1.41 0.11 -0.04 -1.21 -4.72 135.00 138.83 1gkg n PRO 969 Ca 0.47 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1gkg n PRO 969 Cb 0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.54 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gkg n VAL 970 N 0.00 0.00 -3.80 0.52 0.31 -1.26 -3.08 118.33 111.02 1gkg n VAL 970 Ca 0.00 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 1gkg n VAL 970 Cb 0.00 -0.90 0.02 0.00 -0.91 0.00 0.00 33.84 32.05 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 11.52 -4.99 -3.66 4.52 3.02 -1.26 -3.09 115.26 121.32 1gkg n ASN 971 Ca 0.41 -1.02 -0.06 0.00 -0.03 0.00 0.00 54.58 53.87 1gkg n ASN 971 Cb 0.37 -2.44 -0.07 0.00 -0.61 0.00 0.00 39.78 37.02 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 -3.31 -0.56 -0.13 7.41 0.00 -1.18 -1.72 107.32 107.83 1gkg s GLY 972 Ca 0.30 2.07 -0.11 0.00 0.00 0.00 0.00 44.72 46.99 1gkg s GLY 972 CO 0.90 2.49 0.23 -0.29 0.00 0.00 0.00 173.10 176.43 1gkg s MET 973 N 2.18 3.95 0.20 2.90 1.75 -1.26 -3.29 119.30 125.73 1gkg s MET 973 Ca -0.07 0.00 -0.06 0.00 -1.25 0.00 0.00 55.69 54.32 1gkg s MET 973 Cb -0.09 -3.32 -0.06 0.00 2.84 0.00 0.00 34.83 34.20 1gkg s MET 973 CO -0.17 0.48 0.46 0.54 -0.65 0.00 0.00 175.02 175.68 1gkg s VAL 974 N -0.23 5.08 -0.31 10.11 0.11 -1.26 -1.25 120.40 132.64 1gkg s VAL 974 Ca 0.15 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1gkg s VAL 974 Cb -0.13 -3.65 0.07 0.00 -1.53 0.00 0.00 36.38 31.14 1gkg s VAL 974 CO 0.04 -0.08 0.01 -1.00 -3.33 0.00 0.00 175.10 170.74 1gkg s HIS 975 N -1.81 3.40 -0.21 1.54 3.76 0.15 -4.92 115.29 117.21 1gkg s HIS 975 Ca 0.43 -2.27 -0.29 0.00 -0.15 0.00 0.00 55.06 52.79 1gkg s HIS 975 Cb -0.11 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 1gkg s HIS 975 CO 0.25 -0.87 1.86 0.08 -0.85 0.00 0.00 174.74 175.21 1gkg s VAL 976 N 1.14 3.37 0.00 -0.90 1.01 -1.26 -2.36 120.40 121.39 1gkg s VAL 976 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1gkg s VAL 976 Cb -0.20 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1gkg s VAL 976 CO -0.04 -0.20 0.00 -0.38 0.00 0.00 0.00 175.10 174.48 1gkg n ILE 977 N 6.86 0.00 -0.05 2.22 2.08 -1.25 -4.87 119.36 124.34 1gkg n ILE 977 Ca 0.23 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.51 1gkg n ILE 977 Cb 0.45 -0.01 -0.02 0.00 -0.75 0.00 0.00 39.64 39.31 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1gkg h THR 978 N 0.00 0.24 -0.34 1.39 1.35 -1.92 -3.51 112.91 110.12 1gkg h THR 978 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1gkg h THR 978 Cb 0.00 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1gkg h THR 978 CO 0.00 0.08 0.00 0.47 -0.25 0.00 0.00 175.52 175.82 1gkg n ASP 979 N -4.75 0.00 -0.81 5.36 8.00 -1.26 -5.07 116.55 118.02 1gkg n ASP 979 Ca -0.02 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.46 1gkg n ASP 979 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gkg n ILE 980 N 0.00 0.00 -0.08 0.53 -5.35 -1.26 -4.54 119.36 108.67 1gkg n ILE 980 Ca 0.00 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 1gkg n ILE 980 Cb 0.00 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.21 1gkg n ILE 980 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1gkg h GLN 981 N 0.11 0.00 -1.35 6.28 4.20 -1.84 0.51 115.11 123.02 1gkg h GLN 981 Ca -0.26 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.58 1gkg h GLN 981 Cb 1.30 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.80 1gkg h GLN 981 CO -0.11 0.37 0.67 0.08 -0.67 0.00 0.00 178.83 179.17 1gkg s VAL 982 N -2.15 0.00 0.00 -0.54 1.01 -1.26 -3.44 120.40 114.02 1gkg s VAL 982 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1gkg s VAL 982 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1gkg s VAL 982 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1gkg n GLY 983 N 1.72 1.28 3.70 4.51 0.00 0.20 -4.93 105.19 111.67 1gkg n GLY 983 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 6.77 0.57 1.61 0.01 -1.26 -4.66 113.70 116.73 1gkg s SER 984 Ca 0.00 2.30 0.09 0.00 1.31 0.00 0.00 55.95 59.64 1gkg s SER 984 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.75 1gkg s SER 984 CO 0.00 -0.75 0.74 -2.11 0.41 0.00 0.00 173.24 171.54 1gkg n ARG 985 N 4.92 0.62 -3.96 12.44 -4.01 -1.26 -2.18 116.66 123.23 1gkg n ARG 985 Ca 0.13 -3.15 -0.09 0.00 -1.04 0.00 0.00 57.85 53.70 1gkg n ARG 985 Cb 0.42 -0.16 -0.04 0.00 -3.04 0.00 0.00 32.46 29.65 1gkg n ARG 985 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 1gkg s ILE 986 N -2.60 0.00 -0.04 8.89 -4.36 0.13 -3.78 121.20 119.44 1gkg s ILE 986 Ca 0.56 -1.30 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 1gkg s ILE 986 Cb -0.04 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.46 1gkg s ILE 986 CO 0.36 0.00 0.09 0.42 0.24 0.00 0.00 174.94 176.05 1gkg s THR 987 N -3.79 -0.06 0.00 8.37 -4.23 -1.00 -1.46 115.64 113.47 1gkg s THR 987 Ca 0.20 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1gkg s THR 987 Cb -0.02 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.66 1gkg s THR 987 CO 0.10 0.09 0.00 -1.22 -0.54 0.00 0.00 174.62 173.04 1gkg n TYR 988 N 4.25 -1.71 0.00 3.99 4.02 -0.28 0.33 117.16 127.76 1gkg n TYR 988 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1gkg n TYR 988 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1gkg n TYR 988 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1gkg n SER 989 N -1.34 0.00 -0.65 7.72 3.41 -0.38 -4.70 113.62 117.68 1gkg n SER 989 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1gkg n SER 989 Cb 0.00 0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gkg s THR 991 N -4.51 2.30 0.32 0.00 -4.23 -0.70 -4.80 115.64 104.02 1gkg s THR 991 Ca 0.00 0.17 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 1gkg s THR 991 Cb 0.00 -2.90 -0.12 0.00 1.34 0.00 0.00 72.50 70.82 1gkg s THR 991 CO 0.00 -0.06 1.47 0.41 -0.54 0.00 0.00 174.62 175.90 1gkg n THR 992 N -2.23 1.50 -2.45 3.99 -1.04 -1.26 -2.90 114.28 109.90 1gkg n THR 992 Ca 0.14 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.05 61.73 1gkg n THR 992 Cb 0.49 -1.81 0.01 0.00 -1.82 0.00 0.00 70.33 67.21 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 1.37 0.43 3.09 3.41 0.00 -1.26 -5.05 105.19 107.17 1gkg n GLY 993 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1gkg n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 994 N -2.69 -0.34 -0.29 1.61 4.02 -1.14 -4.15 115.29 112.31 1gkg s HIS 994 Ca 0.07 0.79 -0.28 0.00 1.02 0.00 0.00 55.06 56.67 1gkg s HIS 994 Cb -0.03 0.07 0.01 0.00 -1.02 0.00 0.00 32.58 31.61 1gkg s HIS 994 CO 0.09 -0.22 1.00 0.50 1.02 0.00 0.00 174.74 177.13 1gkg s ARG 995 N 0.99 4.09 -0.38 1.40 3.52 -0.68 -4.82 118.95 123.07 1gkg s ARG 995 Ca -0.07 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.27 1gkg s ARG 995 Cb -0.08 -3.71 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1gkg s ARG 995 CO -0.07 -0.78 1.33 -1.17 -0.81 0.00 0.00 175.30 173.80 1gkg s LEU 996 N 3.38 3.70 -1.03 -0.88 0.20 -1.26 -1.14 118.68 121.65 1gkg s LEU 996 Ca 0.42 0.91 -0.01 0.00 0.69 0.00 0.00 54.13 56.13 1gkg s LEU 996 Cb -0.13 -3.54 0.31 0.00 -0.43 0.00 0.00 46.19 42.40 1gkg s LEU 996 CO 0.12 -1.28 1.88 -0.38 -0.29 0.00 0.00 176.35 176.40 1gkg n ILE 997 N 6.74 5.86 -2.00 6.68 5.41 0.61 -4.22 119.36 138.44 1gkg n ILE 997 Ca 0.15 -5.75 -0.00 0.00 1.00 0.00 0.00 62.75 58.15 1gkg n ILE 997 Cb 0.48 -1.55 -0.00 0.00 -0.71 0.00 0.00 39.64 37.85 1gkg n ILE 997 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1gkg n GLY 998 N -0.01 0.85 2.49 7.39 0.00 -1.26 -2.38 105.19 112.28 1gkg n GLY 998 Ca 0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 1gkg n GLY 998 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gkg n HIS 999 N 0.00 -0.11 -3.94 1.61 8.25 -1.26 -2.82 115.22 116.95 1gkg n HIS 999 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1gkg n HIS 999 Cb 0.56 -2.81 -0.06 0.00 1.12 0.00 0.00 29.99 28.81 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 -0.89 -1.50 -3.52 0.41 3.41 -1.26 -4.83 113.62 105.45 1gkg n SER 1000Ca -0.14 -0.94 -0.10 0.00 -0.26 0.00 0.00 58.87 57.43 1gkg n SER 1000Cb 0.55 -1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1gkg n SER 1000CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gkg s SER 1001N -2.82 -0.46 -0.29 4.04 0.15 -1.13 -1.12 113.70 112.07 1gkg s SER 1001Ca 0.66 -0.10 -0.15 0.00 0.70 0.00 0.00 55.95 57.06 1gkg s SER 1001Cb -0.38 0.56 0.13 0.00 -1.71 0.00 0.00 66.02 64.61 1gkg s SER 1001CO 0.81 -0.93 0.84 0.00 1.20 0.00 0.00 173.24 175.16 1gkg s ALA 1002N -3.59 -2.22 -0.22 5.45 0.00 -0.54 -4.74 121.76 115.91 1gkg s ALA 1002Ca 0.04 2.26 -0.07 0.00 0.00 0.00 0.00 51.96 54.19 1gkg s ALA 1002Cb -0.02 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1gkg s ALA 1002CO -0.09 -0.58 0.07 -2.00 0.00 0.00 0.00 175.76 173.16 1gkg s GLU 1003N 1.92 3.80 -1.19 0.00 2.12 -1.26 -0.69 118.70 123.40 1gkg s GLU 1003Ca -0.07 -0.42 -0.21 0.00 0.36 0.00 0.00 54.97 54.62 1gkg s GLU 1003Cb -0.06 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1gkg s GLU 1003CO -0.18 0.02 1.86 0.00 -0.54 0.00 0.00 175.26 176.42 1gkg n ILE 1005N 7.36 0.00 -3.65 0.00 -5.35 -0.36 -0.63 119.36 116.73 1gkg n ILE 1005Ca 0.45 -0.33 -0.05 0.00 -0.27 0.00 0.00 62.75 62.56 1gkg n ILE 1005Cb 0.47 -1.53 -0.06 0.00 -1.74 0.00 0.00 39.64 36.77 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 -0.93 -0.10 7.28 2.96 -1.26 -1.48 118.68 125.15 1gkg s LEU 1006Ca 0.18 1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 55.31 1gkg s LEU 1006Cb -0.01 2.14 -0.27 0.00 0.50 0.00 0.00 46.19 48.55 1gkg s LEU 1006CO 0.12 -0.23 0.66 -1.28 -1.32 0.00 0.00 176.35 174.30 1gkg h SER 1007N 7.59 0.31 0.00 3.68 0.87 -1.95 -3.49 113.55 120.56 1gkg h SER 1007Ca -0.24 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 1gkg h SER 1007Cb 1.15 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1gkg h SER 1007CO 0.14 1.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.49 1gkg n GLY 1008N 1.67 0.87 0.08 5.77 0.00 -1.26 -5.01 105.19 107.31 1gkg n GLY 1008Ca -0.20 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.05 -4.90 1.61 -0.26 -2.02 -3.48 115.58 106.48 1gkg h ASN 1009Ca 0.00 -0.61 -0.11 0.00 -0.56 0.00 0.00 56.30 55.02 1gkg h ASN 1009Cb 0.00 0.01 -0.20 0.00 -1.06 0.00 0.00 38.32 37.07 1gkg h ASN 1009CO 0.00 0.68 -0.20 -0.89 -1.06 0.00 0.00 177.43 175.95 1gkg s THR 1010N -2.83 0.04 0.29 2.81 2.01 -1.26 -5.13 115.64 111.58 1gkg s THR 1010Ca -0.14 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 1gkg s THR 1010Cb -0.01 -0.67 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 1gkg s THR 1010CO 0.55 -0.20 1.08 0.00 -0.69 0.00 0.00 174.62 175.36 1gkg s ALA 1011N -1.18 3.36 0.00 7.40 0.00 -1.26 -4.21 121.76 125.88 1gkg s ALA 1011Ca -0.12 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1gkg s ALA 1011Cb -0.04 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1gkg s ALA 1011CO 0.05 -0.15 0.42 -3.38 0.00 0.00 0.00 175.76 172.70 1gkg s HIS 1012N -1.22 -0.31 -0.12 0.00 -3.43 -0.55 -4.52 115.29 105.14 1gkg s HIS 1012Ca 0.46 0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.85 1gkg s HIS 1012Cb -0.30 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 1gkg s HIS 1012CO 0.39 -0.51 1.41 -1.58 -2.00 0.00 0.00 174.74 172.45 1gkg s TRP 1013N -1.77 2.52 0.60 0.38 0.52 -1.26 -1.22 118.94 118.71 1gkg s TRP 1013Ca -0.10 0.70 0.29 0.00 0.02 0.00 0.00 56.10 57.00 1gkg s TRP 1013Cb -0.02 -3.66 1.49 0.00 -1.15 0.00 0.00 33.47 30.12 1gkg s TRP 1013CO 0.03 -2.52 1.90 0.66 0.02 0.00 0.00 176.95 177.03 1gkg h SER 1014N 8.71 0.00 -3.36 2.95 4.64 -1.34 -3.41 113.55 121.74 1gkg h SER 1014Ca -0.31 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 1gkg h SER 1014Cb 1.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1gkg h SER 1014CO 0.96 0.00 0.07 0.42 -0.87 0.00 0.00 176.83 177.41 1gkg s THR 1015N -4.57 4.87 0.68 2.95 -4.23 -1.26 -4.99 115.64 109.09 1gkg s THR 1015Ca -0.04 1.42 -0.16 0.00 -1.18 0.00 0.00 61.69 61.73 1gkg s THR 1015Cb 0.15 -4.02 0.01 0.00 1.34 0.00 0.00 72.50 69.98 1gkg s THR 1015CO 0.52 0.36 1.22 -1.59 -0.54 0.00 0.00 174.62 174.60 1gkg s LYS 1016N 0.06 2.41 -0.31 3.99 -2.85 -1.26 -4.84 119.74 116.93 1gkg s LYS 1016Ca 0.35 1.83 -0.40 0.00 -1.00 0.00 0.00 55.97 56.75 1gkg s LYS 1016Cb -0.19 -1.86 -0.15 0.00 -2.06 0.00 0.00 37.83 33.57 1gkg s LYS 1016CO 0.19 -1.65 1.83 -2.30 0.10 0.00 0.00 175.35 173.53 1gkg n PRO 1017N -2.31 1.02 -2.24 1.78 -0.02 -1.26 -4.82 135.00 127.16 1gkg n PRO 1017Ca 0.14 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1gkg n PRO 1017Cb 0.50 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 1018N 4.05 4.45 -0.06 0.52 0.02 -1.26 -4.83 135.00 137.90 1gkg s PRO 1018Ca 1.02 2.08 0.00 0.00 0.02 0.00 0.00 61.00 64.12 1gkg s PRO 1018Cb -1.09 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 30.34 1gkg s PRO 1018CO 0.64 -0.05 -0.03 0.96 -0.33 0.00 0.00 177.00 178.19 1gkg s ILE 1019N -1.14 0.53 -0.80 2.83 -4.36 -1.00 -4.20 121.20 113.07 1gkg s ILE 1019Ca 0.47 -0.07 -0.22 0.00 -0.26 0.00 0.00 60.65 60.57 1gkg s ILE 1019Cb -0.37 -0.59 0.08 0.00 1.25 0.00 0.00 42.46 42.83 1gkg s ILE 1019CO 0.49 0.25 1.12 0.00 0.24 0.00 0.00 174.94 177.03 1gkg s GLN 1021N 3.98 4.71 0.09 0.00 2.00 -0.29 -4.74 119.66 125.41 1gkg s GLN 1021Ca 0.30 1.65 -0.34 0.00 -2.00 0.00 0.00 55.36 54.96 1gkg s GLN 1021Cb -0.10 -3.26 -0.14 0.00 0.80 0.00 0.00 33.01 30.32 1gkg s GLN 1021CO 0.02 0.28 1.63 -2.13 -0.50 0.00 0.00 175.29 174.59 1gkg n ARG 1022N 1.74 2.08 -1.54 1.67 0.63 -1.26 -1.69 116.66 118.29 1gkg n ARG 1022Ca -0.00 0.75 -0.46 0.00 -0.92 0.00 0.00 57.85 57.22 1gkg n ARG 1022Cb 0.46 -2.53 -0.05 0.00 0.45 0.00 0.00 32.46 30.79 1gkg n ARG 1022CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1gkg n ILE 1023N 3.77 0.29 -2.78 5.15 2.08 -1.26 -4.84 119.36 121.77 1gkg n ILE 1023Ca 0.18 -0.37 -0.41 0.00 0.56 0.00 0.00 62.75 62.72 1gkg n ILE 1023Cb 0.28 -2.16 -0.04 0.00 -0.75 0.00 0.00 39.64 36.97 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 6.23 4.61 0.01 0.38 0.04 -1.22 -4.09 135.00 140.96 1gkg s PRO 1024Ca 1.04 1.35 0.04 0.00 0.04 0.00 0.00 61.00 63.47 1gkg s PRO 1024Cb -0.57 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 1gkg s PRO 1024CO 0.42 0.14 -0.11 0.00 0.04 0.00 0.00 177.00 177.49 1gkg n GLY 1026N 1.68 0.11 3.77 0.00 0.00 0.81 -4.21 105.19 107.34 1gkg n GLY 1026Ca -0.16 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 3.84 0.28 0.99 1.43 -1.26 -4.87 118.68 119.09 1gkg s LEU 1027Ca 0.00 2.21 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 1gkg s LEU 1027Cb 0.00 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1gkg s LEU 1027CO 0.00 -1.10 1.37 -2.84 0.23 0.00 0.00 176.35 174.01 1gkg s PRO 1028N -3.09 4.32 0.07 1.29 0.02 -1.26 -4.88 135.00 131.48 1gkg s PRO 1028Ca 0.69 2.24 -0.24 0.00 0.02 0.00 0.00 61.00 63.71 1gkg s PRO 1028Cb -0.25 -3.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.04 1gkg s PRO 1028CO 0.29 -0.30 0.55 -2.30 -0.33 0.00 0.00 177.00 174.91 1gkg n PRO 1029N 1.71 0.00 -2.58 5.54 -0.02 -1.26 -4.84 135.00 133.55 1gkg n PRO 1029Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.11 1gkg n PRO 1029Cb 0.41 -0.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.97 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gkg s THR 1030N -0.37 3.75 -0.10 3.45 -4.23 -1.26 -5.04 115.64 111.84 1gkg s THR 1030Ca 0.54 1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 62.75 1gkg s THR 1030Cb -0.77 -4.10 0.05 0.00 1.34 0.00 0.00 72.50 69.02 1gkg s THR 1030CO 0.40 0.40 0.14 -0.51 -0.54 0.00 0.00 174.62 174.51 1gkg s ILE 1031N -1.03 -0.23 0.08 2.99 2.07 -1.26 -5.06 121.20 118.76 1gkg s ILE 1031Ca 0.44 0.26 -0.37 0.00 -1.41 0.00 0.00 60.65 59.58 1gkg s ILE 1031Cb -0.29 -0.34 -0.18 0.00 0.13 0.00 0.00 42.46 41.78 1gkg s ILE 1031CO 0.37 0.07 1.16 0.00 -1.91 0.00 0.00 174.94 174.63 1gkg n ALA 1032N 5.32 -2.05 -2.51 1.50 0.00 -1.26 0.04 120.51 121.54 1gkg n ALA 1032Ca -0.05 0.53 -0.03 0.00 0.00 0.00 0.00 53.44 53.90 1gkg n ALA 1032Cb 0.50 -1.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.02 1gkg n ALA 1032CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gkg n ASN 1033N 2.02 -1.65 -4.86 0.00 0.23 -1.26 -4.49 115.26 105.24 1gkg n ASN 1033Ca 0.18 0.41 -0.31 0.00 -0.53 0.00 0.00 54.58 54.34 1gkg n ASN 1033Cb 0.16 -1.52 0.02 0.00 -2.08 0.00 0.00 39.78 36.37 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gkg s GLY 1034N -2.02 1.66 0.08 4.83 0.00 0.11 -0.82 107.32 111.15 1gkg s GLY 1034Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.41 1gkg s GLY 1034CO 0.01 0.19 0.51 -0.35 0.00 0.00 0.00 173.10 173.46 1gkg s ASP 1035N -4.14 -0.43 -0.12 1.64 2.15 -1.26 -4.29 116.67 110.22 1gkg s ASP 1035Ca 0.56 0.06 -0.22 0.00 0.43 0.00 0.00 52.55 53.37 1gkg s ASP 1035Cb -0.12 0.51 0.05 0.00 -0.30 0.00 0.00 42.92 43.07 1gkg s ASP 1035CO 0.54 -0.79 0.55 0.72 -0.17 0.00 0.00 175.17 176.02 1gkg s PHE 1036N -2.92 -0.54 -0.33 -5.34 -0.12 -1.25 -1.79 117.98 105.69 1gkg s PHE 1036Ca -0.03 1.13 -0.07 0.00 -0.05 0.00 0.00 56.93 57.92 1gkg s PHE 1036Cb -0.00 0.25 0.03 0.00 -0.63 0.00 0.00 43.02 42.67 1gkg s PHE 1036CO -0.06 -0.42 0.10 0.42 -0.05 0.00 0.00 175.22 175.21 1gkg s ILE 1037N -0.53 3.83 0.00 -4.49 1.01 -0.78 -4.78 121.20 115.47 1gkg s ILE 1037Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1gkg s ILE 1037Cb -0.03 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1gkg s ILE 1037CO 0.05 -0.11 0.00 -1.20 0.00 0.00 0.00 174.94 173.68 1gkg n SER 1038N 4.83 2.17 -0.01 3.58 7.64 -1.26 -3.57 113.62 127.00 1gkg n SER 1038Ca -0.13 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.74 1gkg n SER 1038Cb 0.46 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1gkg n SER 1038CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1gkg n THR 1039N 0.00 0.12 0.00 0.44 5.66 -1.26 -4.86 114.28 114.38 1gkg n THR 1039Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1gkg n THR 1039Cb 0.00 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 1gkg n THR 1039CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1gkg n ASN 1040N -1.98 0.00 0.00 1.09 2.85 -1.25 -4.73 115.26 111.24 1gkg n ASN 1040Ca -0.03 0.63 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 1gkg n ASN 1040Cb 0.46 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.35 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 -1.35 0.00 0.06 1.20 5.12 -1.26 -1.44 116.66 118.99 1gkg n ARG 1041Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 1gkg n ARG 1041Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 1gkg n ARG 1041CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1gkg h GLU 1042N 0.00 0.62 -7.06 5.56 4.11 -2.03 -3.46 114.58 112.33 1gkg h GLU 1042Ca 0.00 -0.75 -0.52 0.00 0.07 0.00 0.00 59.36 58.16 1gkg h GLU 1042Cb 0.00 0.24 0.09 0.00 0.50 0.00 0.00 28.75 29.57 1gkg h GLU 1042CO 0.00 1.33 0.48 -0.80 0.07 0.00 0.00 179.01 180.09 1gkg s ASN 1043N -7.28 5.67 -0.04 3.06 0.01 -0.52 -4.94 114.94 110.89 1gkg s ASN 1043Ca -0.10 2.34 -0.29 0.00 -0.71 0.00 0.00 52.86 54.10 1gkg s ASN 1043Cb 0.06 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.21 1gkg s ASN 1043CO 0.91 -1.26 0.78 0.72 -1.51 0.00 0.00 177.10 176.74 1gkg s PHE 1044N -1.60 -0.52 0.36 2.20 -0.12 -1.26 -4.54 117.98 112.50 1gkg s PHE 1044Ca 0.71 0.75 0.00 0.00 -0.05 0.00 0.00 56.93 58.34 1gkg s PHE 1044Cb -0.29 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 1gkg s PHE 1044CO 0.33 -0.57 0.00 -2.39 -0.05 0.00 0.00 175.22 172.55 1gkg n HIS 1045N 0.50 -3.83 0.00 3.49 1.44 -1.26 -4.72 115.22 110.85 1gkg n HIS 1045Ca -0.15 1.12 0.00 0.00 -2.01 0.00 0.00 57.72 56.68 1gkg n HIS 1045Cb 0.59 2.76 0.00 0.00 0.12 0.00 0.00 29.99 33.46 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1gkg n TYR 1046N -3.29 0.00 0.00 -1.40 9.36 -1.26 -0.99 117.16 119.58 1gkg n TYR 1046Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1gkg n TYR 1046Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1gkg n TYR 1046CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkg n GLY 1047N 0.00 -0.09 3.60 2.98 0.00 -1.25 -4.92 105.19 105.52 1gkg n GLY 1047Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.87 1.64 -4.93 1.61 7.64 -1.26 -4.58 113.62 111.87 1gkg n SER 1048Ca 0.00 1.12 -0.20 0.00 1.01 0.00 0.00 58.87 60.79 1gkg n SER 1048Cb 0.00 -1.16 0.06 0.00 -1.01 0.00 0.00 64.21 62.10 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 0.91 2.39 -0.17 0.44 0.11 -1.26 -2.30 120.40 120.52 1gkg s VAL 1049Ca 0.87 -0.86 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1gkg s VAL 1049Cb -1.00 -2.53 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 1gkg s VAL 1049CO 0.50 0.00 0.41 0.68 -3.33 0.00 0.00 175.10 173.36 1gkg s VAL 1050N -2.73 -0.02 -0.47 2.04 -7.23 -0.65 -3.97 120.40 107.37 1gkg s VAL 1050Ca 0.61 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 1gkg s VAL 1050Cb -0.07 -0.60 0.10 0.00 0.56 0.00 0.00 36.38 36.37 1gkg s VAL 1050CO 0.39 0.03 0.35 -0.89 -0.31 0.00 0.00 175.10 174.67 1gkg s THR 1051N 1.19 4.58 0.20 5.32 2.01 -1.23 -2.45 115.64 125.26 1gkg s THR 1051Ca -0.08 -1.47 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 1gkg s THR 1051Cb -0.07 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 1gkg s THR 1051CO -0.10 -0.66 1.27 -0.31 -0.69 0.00 0.00 174.62 174.12 1gkg s TYR 1052N 1.48 3.31 -0.16 4.92 1.51 0.17 -1.86 117.35 126.71 1gkg s TYR 1052Ca 0.04 1.31 0.07 0.00 -1.01 0.00 0.00 57.07 57.48 1gkg s TYR 1052Cb -0.25 -3.54 0.20 0.00 -0.11 0.00 0.00 41.96 38.25 1gkg s TYR 1052CO 0.02 -1.63 1.26 2.89 -1.11 0.00 0.00 175.55 176.99 1gkg n ARG 1053N 2.44 0.66 -1.46 -0.62 1.85 -0.74 -4.74 116.66 114.05 1gkg n ARG 1053Ca 0.05 -1.13 0.00 0.00 -1.00 0.00 0.00 57.85 55.77 1gkg n ARG 1053Cb 0.43 0.44 0.00 0.00 -1.05 0.00 0.00 32.46 32.29 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gkg h ASN 1055N 0.25 0.60 0.00 0.00 -1.24 -1.16 -3.39 115.58 110.64 1gkg h ASN 1055Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1gkg h ASN 1055Cb 0.84 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1gkg h ASN 1055CO 0.00 0.61 0.00 0.18 -1.29 0.00 0.00 177.43 176.93 1gkg n LEU 1056N -4.30 0.00 -3.64 0.34 4.77 -1.26 -4.52 117.00 108.39 1gkg n LEU 1056Ca 0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1gkg n LEU 1056Cb 0.22 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1gkg n LEU 1056CO 0.39 -0.18 0.21 0.61 -1.33 0.00 0.00 177.39 177.09 1gkg n GLY 1057N 2.58 -0.54 0.10 -0.72 0.00 -1.26 -4.56 105.19 100.79 1gkg n GLY 1057Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.96 0.00 -2.70 1.61 3.41 -1.26 -4.95 113.62 106.77 1gkg n SER 1058Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 1gkg n SER 1058Cb 0.56 0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.03 1.30 0.00 4.33 3.00 -1.26 -4.93 116.66 118.07 1gkg n ARG 1059Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 57.85 55.93 1gkg n ARG 1059Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 32.46 32.30 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gkg n GLY 1060N -0.88 0.08 0.94 5.14 0.00 -1.26 -4.95 105.19 104.27 1gkg n GLY 1060Ca -0.06 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.04 -2.23 0.00 1.61 3.00 -1.26 -4.83 116.66 111.91 1gkg n ARG 1061Ca 0.00 1.81 0.00 0.00 -0.00 0.00 0.00 57.85 59.66 1gkg n ARG 1061Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 32.46 29.95 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1gkg n LYS 1062N -3.28 0.00 -2.99 -0.14 3.00 -1.26 -4.53 118.16 108.96 1gkg n LYS 1062Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.13 1gkg n LYS 1062Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.43 1gkg n LYS 1062CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1gkg n VAL 1063N 0.00 -0.24 0.00 3.15 0.24 -1.26 -4.64 118.33 115.58 1gkg n VAL 1063Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1gkg n VAL 1063Cb 0.00 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1gkg n VAL 1063CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1gkg n PHE 1064N -3.12 0.00 -3.36 6.34 3.01 -1.26 -4.35 117.46 114.71 1gkg n PHE 1064Ca -0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 1gkg n PHE 1064Cb 0.51 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.00 0.34 0.53 -1.08 2.02 -0.82 -4.78 118.70 114.91 1gkg s GLU 1065Ca 0.00 0.28 -0.20 0.00 0.02 0.00 0.00 54.97 55.07 1gkg s GLU 1065Cb 0.00 -0.54 -0.06 0.00 0.10 0.00 0.00 34.13 33.62 1gkg s GLU 1065CO 0.00 -0.81 1.12 -1.17 0.02 0.00 0.00 175.26 174.42 1gkg s LEU 1066N 2.49 3.78 -0.01 1.80 2.96 -1.25 -1.30 118.68 127.16 1gkg s LEU 1066Ca 0.11 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1gkg s LEU 1066Cb -0.14 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 42.00 1gkg s LEU 1066CO -0.22 -1.13 -0.00 -0.69 -1.32 0.00 0.00 176.35 172.99 1gkg s VAL 1067N -1.78 0.07 0.00 1.68 1.01 0.06 -4.92 120.40 116.52 1gkg s VAL 1067Ca 0.71 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1gkg s VAL 1067Cb -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1gkg s VAL 1067CO 0.26 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1gkg n GLY 1068N 3.33 -1.44 3.69 4.51 0.00 -1.26 -2.27 105.19 111.76 1gkg n GLY 1068Ca -0.16 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 4.27 -0.30 1.61 -1.05 -1.26 -4.87 118.70 117.10 1gkg s GLU 1069Ca 0.00 2.07 0.06 0.00 -0.15 0.00 0.00 54.97 56.95 1gkg s GLU 1069Cb 0.00 -3.52 0.59 0.00 -0.44 0.00 0.00 34.13 30.76 1gkg s GLU 1069CO 0.00 -0.59 1.66 -0.35 0.95 0.00 0.00 175.26 176.93 1gkg n PRO 1070N 5.18 2.85 -3.63 -4.83 -0.04 -1.26 -4.06 135.00 129.21 1gkg n PRO 1070Ca 0.13 -2.48 -0.15 0.00 -0.04 0.00 0.00 63.50 60.96 1gkg n PRO 1070Cb 0.43 -2.02 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 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 -0.77 -0.61 0.28 3.54 1.04 -1.26 0.45 113.70 116.36 1gkg s SER 1071Ca 0.45 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 1gkg s SER 1071Cb 0.37 0.99 0.01 0.00 0.10 0.00 0.00 66.02 67.49 1gkg s SER 1071CO 0.10 -0.34 0.59 0.27 0.98 0.00 0.00 173.24 174.84 1gkg s ILE 1072N -0.23 0.00 0.01 -1.02 -4.36 -1.02 -5.00 121.20 109.58 1gkg s ILE 1072Ca -0.04 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1gkg s ILE 1072Cb -0.03 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 1gkg s ILE 1072CO 0.04 0.00 -0.04 -0.72 0.24 0.00 0.00 174.94 174.45 1gkg s TYR 1073N -3.77 0.39 0.03 1.37 -0.85 -1.26 -1.64 117.35 111.62 1gkg s TYR 1073Ca 0.18 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 56.19 1gkg s TYR 1073Cb -0.03 -0.24 -0.08 0.00 0.38 0.00 0.00 41.96 41.98 1gkg s TYR 1073CO 0.09 -0.05 1.85 0.00 -1.52 0.00 0.00 175.55 175.92 1gkg s THR 1075N 3.90 0.00 0.00 0.00 -1.32 -1.26 -3.80 115.64 113.16 1gkg s THR 1075Ca 0.82 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.30 1gkg s THR 1075Cb -0.41 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1gkg s THR 1075CO 0.37 -0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.58 1gkg n SER 1076N 2.62 0.00 0.00 8.08 7.64 -1.22 -3.44 113.62 127.30 1gkg n SER 1076Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1gkg n SER 1076Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1gkg n ASN 1077N 0.00 0.00 -0.06 6.43 2.04 -1.25 -4.84 115.26 117.58 1gkg n ASN 1077Ca 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 54.58 54.06 1gkg n ASN 1077Cb 0.00 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 1gkg n ASN 1077CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1gkg h ASP 1078N 0.00 0.00 0.00 0.53 3.32 -1.96 -3.48 116.42 114.83 1gkg h ASP 1078Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1gkg h ASP 1078Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gkg h ASP 1078CO 0.00 0.78 0.00 -0.90 -1.72 0.00 0.00 179.24 177.40 1gkg n ASP 1079N -4.68 0.00 -0.94 6.45 5.75 -1.26 -4.99 116.55 116.87 1gkg n ASP 1079Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.71 1gkg n ASP 1079Cb 0.26 0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gkg n GLN 1080N -2.01 0.09 0.00 0.11 10.64 -1.26 -4.80 117.38 120.15 1gkg n GLN 1080Ca 0.00 -0.25 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 1gkg n GLN 1080Cb 0.00 0.39 0.00 0.00 -0.86 0.00 0.00 30.24 29.77 1gkg n GLN 1080CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1gkg n VAL 1081N -0.10 0.00 0.00 -0.39 3.14 -1.25 -4.40 118.33 115.33 1gkg n VAL 1081Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1gkg n VAL 1081Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1gkg n VAL 1081CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 1082N 4.47 2.38 2.94 7.55 0.00 -1.26 -0.13 105.19 121.14 1gkg n GLY 1082Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1gkg n GLY 1082CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gkg n ILE 1083N 0.00 -9.79 0.00 -0.61 -0.00 -1.26 -3.40 119.36 104.30 1gkg n ILE 1083Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 62.75 63.70 1gkg n ILE 1083Cb 0.00 -6.46 0.00 0.00 -0.00 0.00 0.00 39.64 33.18 1gkg n ILE 1083CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 176.55 177.34 1gkg n TRP 1084N 0.00 -0.18 0.25 1.39 7.02 -1.22 -4.37 117.44 120.33 1gkg n TRP 1084Ca 0.06 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.38 1gkg n TRP 1084Cb 0.40 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.21 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 -0.99 0.00 -0.99 0.87 -1.86 -3.47 113.55 107.11 1gkg h SER 1085Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1gkg h SER 1085Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1gkg h SER 1085CO 0.00 -0.52 0.00 0.61 -0.53 0.00 0.00 176.83 176.39 1gkg n GLY 1086N -1.48 1.10 3.71 5.77 0.00 -1.26 -5.13 105.19 107.91 1gkg n GLY 1086Ca -0.10 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1gkg n GLY 1086CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gkg s PRO 1087N -0.18 4.57 0.00 1.61 0.04 -1.26 -4.75 135.00 135.03 1gkg s PRO 1087Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1gkg s PRO 1087Cb 0.00 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1gkg s PRO 1087CO 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 177.00 177.01 1gkg n ALA 1088N 3.74 0.00 -1.63 8.56 0.00 -1.26 -5.13 120.51 124.79 1gkg n ALA 1088Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.02 1gkg n ALA 1088Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.85 1.67 -3.71 0.00 -0.04 -1.23 -4.77 135.00 125.08 1gkg n PRO 1089Ca 0.00 0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1gkg n PRO 1089Cb 0.00 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 1gkg n PRO 1089CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1gkg s GLN 1090N 0.04 0.54 -0.14 0.54 1.03 -0.96 -4.92 119.66 115.78 1gkg s GLN 1090Ca 0.75 0.69 -0.06 0.00 0.04 0.00 0.00 55.36 56.78 1gkg s GLN 1090Cb -0.76 0.23 -0.04 0.00 0.03 0.00 0.00 33.01 32.47 1gkg s GLN 1090CO 0.47 -0.08 0.08 0.00 -2.54 0.00 0.00 175.29 173.22