#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 -3.63 0.62 0.00 -1.26 -4.88 120.51 111.37 1gkg n ALA 958 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1gkg n ALA 958 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.36 -1.46 0.00 -1.05 -1.26 -4.98 118.70 110.30 1gkg s GLU 959 Ca 0.00 0.28 -0.10 0.00 -0.15 0.00 0.00 54.97 55.00 1gkg s GLU 959 Cb 0.00 0.17 0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1gkg s GLU 959 CO 0.00 -0.07 0.95 0.00 0.95 0.00 0.00 175.26 177.09 1gkg n ALA 960 N 1.46 -1.45 -1.38 -0.84 0.00 -1.26 -4.65 120.51 112.39 1gkg n ALA 960 Ca -0.10 0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1gkg n ALA 960 Cb 0.57 -4.06 -0.08 0.00 0.00 0.00 0.00 19.45 15.88 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 -4.63 -3.25 -3.65 0.00 4.01 -1.26 -4.47 118.16 104.91 1gkg n LYS 961 Ca -0.04 2.65 -0.13 0.00 -0.51 0.00 0.00 58.31 60.28 1gkg n LYS 961 Cb 0.56 -3.72 -0.08 0.00 -0.51 0.00 0.00 35.03 31.29 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1gkg s SER 962 N -6.93 -0.69 0.00 4.39 0.01 -1.26 -3.64 113.70 105.58 1gkg s SER 962 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1gkg s SER 962 Cb 0.00 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1gkg s SER 962 CO 0.00 -0.22 1.80 0.00 0.41 0.00 0.00 173.24 175.23 1gkg n LYS 964 N 1.31 -4.45 -2.43 0.00 3.00 -1.26 -4.51 118.16 109.81 1gkg n LYS 964 Ca 0.00 3.21 -0.42 0.00 -0.00 0.00 0.00 58.31 61.10 1gkg n LYS 964 Cb 0.50 -3.54 -0.03 0.00 0.00 0.00 0.00 35.03 31.96 1gkg n LYS 964 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1gkg s THR 965 N -1.87 4.07 -1.06 3.15 2.01 -1.26 -4.99 115.64 115.68 1gkg s THR 965 Ca 0.00 1.49 -0.05 0.00 0.31 0.00 0.00 61.69 63.44 1gkg s THR 965 Cb 0.00 -3.95 0.30 0.00 0.01 0.00 0.00 72.50 68.85 1gkg s THR 965 CO 0.00 0.12 1.33 -0.81 -0.69 0.00 0.00 174.62 174.57 1gkg n PRO 966 N 3.91 4.09 -2.19 4.92 -0.04 -1.26 -5.05 135.00 139.38 1gkg n PRO 966 Ca 0.09 -4.54 -0.42 0.00 -0.04 0.00 0.00 63.50 58.59 1gkg n PRO 966 Cb 0.47 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1gkg n PRO 966 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1gkg s PRO 967 N -2.35 4.28 0.00 0.54 0.04 -1.26 -4.16 135.00 132.08 1gkg s PRO 967 Ca 0.31 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1gkg s PRO 967 Cb 0.01 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1gkg s PRO 967 CO 0.05 -0.56 0.00 -0.25 0.04 0.00 0.00 177.00 176.27 1gkg n ASP 968 N 5.17 0.00 -1.16 6.66 8.00 -1.26 -4.85 116.55 129.11 1gkg n ASP 968 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1gkg n ASP 968 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.67 2.76 -1.40 -0.24 -0.02 -0.98 -4.50 135.00 129.94 1gkg n PRO 969 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1gkg n PRO 969 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.37 1gkg n PRO 969 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1gkg n VAL 970 N 0.00 0.00 -4.25 -1.45 3.14 -1.26 -3.04 118.33 111.48 1gkg n VAL 970 Ca 0.00 -0.39 -0.31 0.00 -2.96 0.00 0.00 64.34 60.68 1gkg n VAL 970 Cb 0.00 -0.91 -0.09 0.00 -1.06 0.00 0.00 33.84 31.78 1gkg n VAL 970 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1gkg n ASN 971 N 11.55 0.57 -3.63 6.55 6.94 -1.26 -4.26 115.26 131.71 1gkg n ASN 971 Ca 0.40 -1.21 -0.05 0.00 -0.02 0.00 0.00 54.58 53.70 1gkg n ASN 971 Cb 0.37 -1.51 -0.06 0.00 -2.36 0.00 0.00 39.78 36.22 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1gkg s GLY 972 N -4.17 -0.49 0.01 4.83 0.00 -1.17 -3.19 107.32 103.15 1gkg s GLY 972 Ca 0.10 2.60 -0.20 0.00 0.00 0.00 0.00 44.72 47.22 1gkg s GLY 972 CO 0.95 2.55 0.60 -3.16 0.00 0.00 0.00 173.10 174.04 1gkg s MET 973 N 1.74 4.30 0.16 2.90 0.23 -1.26 -2.33 119.30 125.04 1gkg s MET 973 Ca -0.09 0.75 -0.11 0.00 -1.03 0.00 0.00 55.69 55.20 1gkg s MET 973 Cb -0.05 -3.32 -0.07 0.00 -1.53 0.00 0.00 34.83 29.86 1gkg s MET 973 CO -0.19 0.42 0.51 0.54 -2.03 0.00 0.00 175.02 174.27 1gkg s VAL 974 N -0.36 4.95 -0.55 5.16 0.11 -1.26 -2.35 120.40 126.09 1gkg s VAL 974 Ca 0.31 0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 59.87 1gkg s VAL 974 Cb -0.19 -3.67 0.14 0.00 -1.53 0.00 0.00 36.38 31.13 1gkg s VAL 974 CO 0.18 0.14 0.41 -1.00 -3.33 0.00 0.00 175.10 171.50 1gkg s HIS 975 N -1.57 3.48 -0.20 1.54 3.76 0.87 -4.96 115.29 118.21 1gkg s HIS 975 Ca 0.40 -2.11 -0.29 0.00 -0.15 0.00 0.00 55.06 52.91 1gkg s HIS 975 Cb -0.13 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 1gkg s HIS 975 CO 0.20 -0.96 1.87 0.14 -0.85 0.00 0.00 174.74 175.13 1gkg s VAL 976 N 0.89 3.37 0.04 -0.90 -7.23 -1.26 -2.19 120.40 113.12 1gkg s VAL 976 Ca 0.10 0.40 -0.13 0.00 -1.81 0.00 0.00 61.98 60.54 1gkg s VAL 976 Cb -0.23 -3.40 -0.34 0.00 0.56 0.00 0.00 36.38 32.97 1gkg s VAL 976 CO -0.03 -0.20 1.04 0.40 -0.31 0.00 0.00 175.10 176.01 1gkg h ILE 977 N 6.47 1.34 -0.77 -0.62 2.04 -1.88 -3.40 117.51 120.68 1gkg h ILE 977 Ca -0.38 -2.78 -0.33 0.00 1.00 0.00 0.00 64.86 62.37 1gkg h ILE 977 Cb 1.19 3.01 -0.28 0.00 -0.74 0.00 0.00 36.82 40.00 1gkg h ILE 977 CO 0.99 0.83 -0.82 0.35 0.00 0.00 0.00 178.15 179.49 1gkg n THR 978 N -3.68 0.25 -4.89 -0.27 -2.24 -1.24 -5.02 114.28 97.20 1gkg n THR 978 Ca -0.15 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 58.94 1gkg n THR 978 Cb 1.08 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1gkg n THR 978 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gkg n ASP 979 N -0.03 -1.27 -3.24 3.42 9.92 -1.26 -4.71 116.55 119.37 1gkg n ASP 979 Ca 0.09 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.31 1gkg n ASP 979 Cb 0.77 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.21 1gkg n ASP 979 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1gkg s ILE 980 N 0.00 -0.79 0.00 0.53 -4.36 -1.26 -4.63 121.20 110.69 1gkg s ILE 980 Ca 0.00 -0.23 0.09 0.00 -0.26 0.00 0.00 60.65 60.24 1gkg s ILE 980 Cb 0.00 -0.68 0.14 0.00 1.25 0.00 0.00 42.46 43.17 1gkg s ILE 980 CO 0.00 -0.17 1.02 0.00 0.24 0.00 0.00 174.94 176.03 1gkg n GLN 981 N 4.96 0.00 0.00 0.37 6.02 -1.26 -4.70 117.38 122.77 1gkg n GLN 981 Ca 0.06 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1gkg n GLN 981 Cb 0.52 0.26 0.00 0.00 1.02 0.00 0.00 30.24 32.05 1gkg n GLN 981 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg n VAL 982 N 0.17 0.00 0.00 5.09 0.31 -1.24 -4.47 118.33 118.18 1gkg n VAL 982 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1gkg n VAL 982 Cb 0.84 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 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 2.19 1.80 3.73 2.92 0.00 -0.37 -4.94 105.19 110.52 1gkg n GLY 983 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.03 6.81 0.02 1.61 0.01 -1.26 -4.53 113.70 116.34 1gkg s SER 984 Ca 0.00 2.44 -0.01 0.00 1.31 0.00 0.00 55.95 59.69 1gkg s SER 984 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1gkg s SER 984 CO 0.00 -0.61 0.15 -0.60 0.41 0.00 0.00 173.24 172.59 1gkg s ARG 985 N 0.28 3.28 -0.05 12.44 3.52 -1.26 -2.28 118.95 134.88 1gkg s ARG 985 Ca 0.60 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.74 1gkg s ARG 985 Cb -0.38 -2.98 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1gkg s ARG 985 CO 0.36 0.64 0.13 0.96 -0.81 0.00 0.00 175.30 176.58 1gkg s ILE 986 N -1.35 -0.03 -0.25 4.11 -4.36 -0.28 -2.63 121.20 116.41 1gkg s ILE 986 Ca 0.28 0.11 -0.10 0.00 -0.26 0.00 0.00 60.65 60.68 1gkg s ILE 986 Cb -0.13 -0.20 -0.05 0.00 1.25 0.00 0.00 42.46 43.34 1gkg s ILE 986 CO 0.20 0.04 0.16 0.42 0.24 0.00 0.00 174.94 176.01 1gkg s THR 987 N 0.72 5.22 -0.24 8.37 -4.23 -0.93 -0.28 115.64 124.26 1gkg s THR 987 Ca -0.05 0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.38 1gkg s THR 987 Cb -0.07 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1gkg s THR 987 CO -0.03 0.31 0.68 -0.31 -0.54 0.00 0.00 174.62 174.73 1gkg s TYR 988 N 1.33 3.30 -0.17 3.99 1.51 0.24 -0.09 117.35 127.46 1gkg s TYR 988 Ca 0.07 0.92 -0.16 0.00 -1.01 0.00 0.00 57.07 56.88 1gkg s TYR 988 Cb -0.15 -2.89 -0.13 0.00 -0.11 0.00 0.00 41.96 38.69 1gkg s TYR 988 CO 0.07 -0.32 0.10 0.66 -1.11 0.00 0.00 175.55 174.94 1gkg h SER 989 N 7.78 0.00 -4.01 2.29 4.64 -1.71 -3.40 113.55 119.15 1gkg h SER 989 Ca -0.26 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1gkg h SER 989 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1gkg h SER 989 CO 0.80 1.15 -0.52 0.00 -0.87 0.00 0.00 176.83 177.38 1gkg s THR 991 N -3.34 2.03 0.58 0.00 -4.23 -1.19 -4.85 115.64 104.63 1gkg s THR 991 Ca 0.00 0.02 0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1gkg s THR 991 Cb 0.00 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 71.22 1gkg s THR 991 CO 0.00 -0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.01 1gkg h THR 992 N 1.33 0.43 -0.40 3.99 1.03 -1.91 -1.02 112.91 116.36 1gkg h THR 992 Ca -0.51 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.01 1gkg h THR 992 Cb 1.31 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 69.02 1gkg h THR 992 CO 0.57 0.00 0.36 1.23 -0.01 0.00 0.00 175.52 177.67 1gkg h GLY 993 N 0.00 0.00 -5.55 2.99 0.00 -1.91 -3.42 103.07 95.19 1gkg h GLY 993 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.32 1gkg h GLY 993 CO -0.00 0.00 -0.72 0.30 0.00 0.00 0.00 176.54 176.12 1gkg s HIS 994 N -4.78 0.02 -0.11 5.60 4.02 -0.39 -4.11 115.29 115.54 1gkg s HIS 994 Ca -0.05 -0.00 -0.28 0.00 1.02 0.00 0.00 55.06 55.75 1gkg s HIS 994 Cb 0.17 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.58 31.70 1gkg s HIS 994 CO 0.62 -0.00 0.92 0.50 1.02 0.00 0.00 174.74 177.80 1gkg s ARG 995 N -0.00 4.39 0.30 1.40 3.52 -0.00 -4.58 118.95 123.98 1gkg s ARG 995 Ca 0.00 1.23 -0.29 0.00 -0.13 0.00 0.00 55.73 56.54 1gkg s ARG 995 Cb -0.00 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 1gkg s ARG 995 CO -0.00 -0.27 1.14 -1.17 -0.81 0.00 0.00 175.30 174.19 1gkg s LEU 996 N 1.87 4.50 0.06 -0.88 0.20 -1.26 0.64 118.68 123.82 1gkg s LEU 996 Ca 0.44 2.35 0.04 0.00 0.69 0.00 0.00 54.13 57.65 1gkg s LEU 996 Cb -0.18 -3.67 -0.04 0.00 -0.43 0.00 0.00 46.19 41.88 1gkg s LEU 996 CO 0.17 -0.25 0.01 -0.63 -0.29 0.00 0.00 176.35 175.36 1gkg s ILE 997 N -1.19 4.15 -0.19 6.68 -1.09 0.35 -4.62 121.20 125.29 1gkg s ILE 997 Ca 0.46 -0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 1gkg s ILE 997 Cb -0.33 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1gkg s ILE 997 CO 0.43 0.19 0.17 0.61 -1.23 0.00 0.00 174.94 175.11 1gkg n GLY 998 N 0.78 0.68 1.59 6.18 0.00 -1.26 -2.60 105.19 110.55 1gkg n GLY 998 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.65 -4.30 0.04 1.61 8.25 -1.26 -4.55 115.22 112.36 1gkg n HIS 999 Ca -0.01 2.27 0.00 0.00 -0.26 0.00 0.00 57.72 59.73 1gkg n HIS 999 Cb 0.51 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 28.16 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 -0.47 4.31 -3.49 0.41 3.41 -1.26 -4.76 113.62 111.76 1gkg n SER 1000Ca 0.00 -2.19 -0.11 0.00 -0.26 0.00 0.00 58.87 56.30 1gkg n SER 1000Cb 0.00 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 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 1.64 -0.48 -0.28 4.04 0.01 -1.26 -0.59 113.70 116.77 1gkg s SER 1001Ca 0.00 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 1gkg s SER 1001Cb 0.00 0.58 0.09 0.00 0.21 0.00 0.00 66.02 66.90 1gkg s SER 1001CO 0.00 -0.97 0.68 0.00 0.41 0.00 0.00 173.24 173.36 1gkg s ALA 1002N -3.77 -1.88 -0.21 1.44 0.00 0.61 -4.82 121.76 113.13 1gkg s ALA 1002Ca 0.02 2.40 -0.07 0.00 0.00 0.00 0.00 51.96 54.31 1gkg s ALA 1002Cb -0.01 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1gkg s ALA 1002CO -0.12 -0.44 0.06 -2.00 0.00 0.00 0.00 175.76 173.27 1gkg s GLU 1003N 1.79 3.81 0.10 0.00 2.12 -1.26 -1.13 118.70 124.13 1gkg s GLU 1003Ca -0.10 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 1gkg s GLU 1003Cb -0.06 -3.26 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 1gkg s GLU 1003CO -0.20 0.05 1.41 0.00 -0.54 0.00 0.00 175.26 175.98 1gkg s ILE 1005N 1.30 0.30 -0.26 0.00 -4.36 -0.94 -1.24 121.20 116.00 1gkg s ILE 1005Ca 0.65 -1.20 -0.15 0.00 -0.26 0.00 0.00 60.65 59.70 1gkg s ILE 1005Cb -0.37 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1gkg s ILE 1005CO 0.30 -0.58 0.38 -0.22 0.24 0.00 0.00 174.94 175.06 1gkg s LEU 1006N -1.87 4.05 -0.07 0.37 1.98 -1.26 -0.87 118.68 121.00 1gkg s LEU 1006Ca -0.08 0.31 -0.22 0.00 -2.89 0.00 0.00 54.13 51.25 1gkg s LEU 1006Cb -0.06 -2.44 -0.30 0.00 0.66 0.00 0.00 46.19 44.05 1gkg s LEU 1006CO -0.02 -0.18 0.83 -1.28 -1.89 0.00 0.00 176.35 173.80 1gkg h SER 1007N 8.11 0.40 0.00 3.68 0.87 -1.90 -3.47 113.55 121.23 1gkg h SER 1007Ca -0.32 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.30 1gkg h SER 1007Cb 1.16 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1gkg h SER 1007CO 0.65 1.38 0.00 0.61 -0.53 0.00 0.00 176.83 178.94 1gkg n GLY 1008N 1.67 0.10 1.82 5.77 0.00 -1.26 -5.02 105.19 108.26 1gkg n GLY 1008Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 0.00 -4.82 1.61 3.02 -1.26 -5.10 115.26 107.99 1gkg n ASN 1009Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1gkg n ASN 1009Cb 0.00 0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.91 5.46 0.34 3.41 2.01 -1.26 -4.98 115.64 118.70 1gkg s THR 1010Ca 0.00 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 1gkg s THR 1010Cb 0.00 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1gkg s THR 1010CO 0.00 0.54 1.06 0.00 -0.69 0.00 0.00 174.62 175.53 1gkg s ALA 1011N -0.45 3.24 -0.09 7.40 0.00 -1.26 -3.60 121.76 126.99 1gkg s ALA 1011Ca 0.13 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1gkg s ALA 1011Cb -0.12 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1gkg s ALA 1011CO 0.02 -0.15 0.33 -1.01 0.00 0.00 0.00 175.76 174.95 1gkg s HIS 1012N -1.42 -0.31 -0.15 0.00 3.76 -0.05 -3.97 115.29 113.14 1gkg s HIS 1012Ca 0.51 0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 55.84 1gkg s HIS 1012Cb -0.26 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 1gkg s HIS 1012CO 0.33 -0.24 1.66 -1.58 -0.85 0.00 0.00 174.74 174.06 1gkg s TRP 1013N -0.27 2.01 0.64 1.40 0.52 -1.26 -2.20 118.94 119.77 1gkg s TRP 1013Ca -0.04 0.41 0.28 0.00 0.02 0.00 0.00 56.10 56.77 1gkg s TRP 1013Cb -0.03 -3.95 1.50 0.00 -1.15 0.00 0.00 33.47 29.84 1gkg s TRP 1013CO 0.02 -3.35 1.87 1.03 0.02 0.00 0.00 176.95 176.54 1gkg h SER 1014N 10.46 0.00 -0.32 2.95 0.87 -1.77 0.61 113.55 126.35 1gkg h SER 1014Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1gkg h SER 1014Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1gkg h SER 1014CO 0.98 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 177.63 1gkg n THR 1015N -3.20 1.08 -1.43 2.23 -2.24 -1.26 -5.03 114.28 104.43 1gkg n THR 1015Ca 0.02 -0.64 0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1gkg n THR 1015Cb 0.52 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.42 -3.27 -1.68 -0.78 4.76 0.20 -4.71 118.16 113.12 1gkg n LYS 1016Ca 0.14 2.67 -0.46 0.00 -2.87 0.00 0.00 58.31 57.79 1gkg n LYS 1016Cb 0.58 -3.79 -0.04 0.00 -1.84 0.00 0.00 35.03 29.94 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 -4.19 2.31 -2.44 1.97 -0.02 -1.26 -4.96 135.00 126.41 1gkg n PRO 1017Ca -0.09 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 1gkg n PRO 1017Cb 0.65 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 1018N 1.84 3.78 -0.14 0.52 0.04 -1.26 -4.89 135.00 134.89 1gkg s PRO 1018Ca 0.82 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 1gkg s PRO 1018Cb -0.63 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 31.75 1gkg s PRO 1018CO 0.40 -0.47 0.32 -1.50 0.04 0.00 0.00 177.00 175.79 1gkg s ILE 1019N -1.80 -0.25 -0.66 0.56 2.07 -1.07 -4.77 121.20 115.28 1gkg s ILE 1019Ca 0.66 0.18 -0.24 0.00 -1.41 0.00 0.00 60.65 59.83 1gkg s ILE 1019Cb -0.21 -0.50 0.05 0.00 0.13 0.00 0.00 42.46 41.93 1gkg s ILE 1019CO 0.25 0.07 1.05 0.00 -1.91 0.00 0.00 174.94 174.40 1gkg s GLN 1021N 4.50 4.84 0.21 0.00 0.74 0.21 -4.73 119.66 125.43 1gkg s GLN 1021Ca 0.28 1.50 -0.31 0.00 0.05 0.00 0.00 55.36 56.88 1gkg s GLN 1021Cb -0.14 -3.27 -0.15 0.00 1.10 0.00 0.00 33.01 30.56 1gkg s GLN 1021CO 0.14 0.50 1.17 -2.13 -0.55 0.00 0.00 175.29 174.42 1gkg n ARG 1022N 1.46 1.38 -1.67 1.67 3.00 -1.26 -0.82 116.66 120.42 1gkg n ARG 1022Ca -0.02 0.49 -0.48 0.00 -0.00 0.00 0.00 57.85 57.84 1gkg n ARG 1022Cb 0.47 -1.99 -0.05 0.00 0.00 0.00 0.00 32.46 30.90 1gkg n ARG 1022CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1gkg n ILE 1023N 1.28 0.58 -3.43 5.15 2.08 -1.26 -4.67 119.36 119.09 1gkg n ILE 1023Ca 0.13 -0.13 -0.38 0.00 0.56 0.00 0.00 62.75 62.93 1gkg n ILE 1023Cb 0.28 -1.94 -0.06 0.00 -0.75 0.00 0.00 39.64 37.17 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 4.31 4.03 -0.30 0.38 0.04 -1.19 -3.85 135.00 138.43 1gkg s PRO 1024Ca 0.93 0.48 0.08 0.00 0.04 0.00 0.00 61.00 62.53 1gkg s PRO 1024Cb -0.66 -3.26 0.51 0.00 0.04 0.00 0.00 34.50 31.13 1gkg s PRO 1024CO 0.50 0.60 1.47 0.00 0.04 0.00 0.00 177.00 179.61 1gkg n GLY 1026N -1.13 1.71 3.80 0.00 0.00 -1.26 -4.67 105.19 103.63 1gkg n GLY 1026Ca 0.34 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 3.44 0.64 0.99 1.43 -1.26 -4.75 118.68 119.17 1gkg s LEU 1027Ca 0.00 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1gkg s LEU 1027Cb 0.00 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1gkg s LEU 1027CO 0.00 -0.32 1.18 -2.16 0.23 0.00 0.00 176.35 175.28 1gkg s PRO 1028N -3.92 2.75 0.55 1.29 0.04 -1.26 -4.88 135.00 129.57 1gkg s PRO 1028Ca 0.39 1.69 0.36 0.00 0.04 0.00 0.00 61.00 63.48 1gkg s PRO 1028Cb -0.04 -1.92 1.52 0.00 0.04 0.00 0.00 34.50 34.10 1gkg s PRO 1028CO 0.25 -1.34 1.76 -1.35 0.04 0.00 0.00 177.00 176.36 1gkg h PRO 1029N 0.42 0.00 -2.98 0.56 0.11 -1.96 -3.47 132.00 124.67 1gkg h PRO 1029Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gkg h PRO 1029Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1gkg h PRO 1029CO 0.54 0.00 -0.76 2.41 -0.21 0.00 0.00 178.00 179.97 1gkg n THR 1030N -4.04 -2.83 -3.67 -1.15 -1.04 -1.26 -4.77 114.28 95.51 1gkg n THR 1030Ca 0.25 1.35 -0.09 0.00 -2.04 0.00 0.00 64.05 63.51 1gkg n THR 1030Cb 1.26 -2.11 -0.10 0.00 -1.82 0.00 0.00 70.33 67.56 1gkg n THR 1030CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1gkg s ILE 1031N -4.69 -0.32 0.26 12.58 2.07 -1.26 -4.60 121.20 125.24 1gkg s ILE 1031Ca 0.00 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 1gkg s ILE 1031Cb 0.00 -0.67 -0.10 0.00 0.13 0.00 0.00 42.46 41.82 1gkg s ILE 1031CO 0.00 0.05 1.42 0.00 -1.91 0.00 0.00 174.94 174.50 1gkg s ALA 1032N 1.98 3.60 0.00 1.50 0.00 -1.26 -2.88 121.76 124.70 1gkg s ALA 1032Ca -0.06 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1gkg s ALA 1032Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1gkg s ALA 1032CO -0.13 -0.72 0.00 0.09 0.00 0.00 0.00 175.76 174.99 1gkg n ASN 1033N 2.15 0.00 -4.67 0.00 4.13 -1.26 -4.92 115.26 110.69 1gkg n ASN 1033Ca 0.06 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.90 1gkg n ASN 1033Cb 0.41 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1gkg s GLY 1034N 0.00 1.52 0.78 7.41 0.00 -1.14 -0.14 107.32 115.75 1gkg s GLY 1034Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 45.72 1gkg s GLY 1034CO 0.00 3.09 1.09 -0.35 0.00 0.00 0.00 173.10 176.93 1gkg s ASP 1035N 3.30 4.66 -0.06 1.64 -1.08 -1.25 -4.70 116.67 119.18 1gkg s ASP 1035Ca 0.77 1.42 -0.05 0.00 -0.52 0.00 0.00 52.55 54.17 1gkg s ASP 1035Cb -0.38 -2.19 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 1gkg s ASP 1035CO 0.33 -1.88 0.16 0.72 0.52 0.00 0.00 175.17 175.03 1gkg s PHE 1036N -3.10 -0.18 0.00 -5.34 -0.12 -1.26 -2.23 117.98 105.74 1gkg s PHE 1036Ca 0.60 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.95 1gkg s PHE 1036Cb -0.15 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1gkg s PHE 1036CO 0.55 -0.12 0.00 -0.89 -0.05 0.00 0.00 175.22 174.71 1gkg n ILE 1037N 3.44 0.00 -1.16 -4.49 5.41 -0.83 -4.90 119.36 116.83 1gkg n ILE 1037Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1gkg n ILE 1037Cb 0.56 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 1gkg n ILE 1037CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1gkg n SER 1038N -0.17 0.00 -2.91 4.38 7.64 -1.26 -4.21 113.62 117.10 1gkg n SER 1038Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1gkg n SER 1038Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1gkg n SER 1038CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1gkg n THR 1039N 0.00 -0.25 -0.68 0.44 -2.24 -1.26 -4.99 114.28 105.30 1gkg n THR 1039Ca 0.00 -2.38 -0.05 0.00 -2.27 0.00 0.00 64.05 59.35 1gkg n THR 1039Cb 0.00 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gkg n ASN 1040N 1.58 4.84 0.04 3.42 4.13 -1.26 -4.15 115.26 123.86 1gkg n ASN 1040Ca 0.13 -2.34 -0.21 0.00 1.68 0.00 0.00 54.58 53.84 1gkg n ASN 1040Cb 0.59 -1.16 -0.14 0.00 -1.54 0.00 0.00 39.78 37.53 1gkg n ASN 1040CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 1gkg h ARG 1041N 2.24 0.29 0.00 3.52 0.11 -1.95 -3.48 114.38 115.11 1gkg h ARG 1041Ca 0.09 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1gkg h ARG 1041Cb 1.15 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1gkg h ARG 1041CO 0.12 1.24 0.00 -1.91 0.10 0.00 0.00 179.97 179.52 1gkg n GLU 1042N -4.02 0.00 0.00 0.08 2.13 -1.26 -5.12 120.64 112.46 1gkg n GLU 1042Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1gkg n GLU 1042Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.58 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1gkg n ASN 1043N 0.00 0.00 -0.98 4.31 5.03 -1.26 -4.94 115.26 117.42 1gkg n ASN 1043Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1gkg n ASN 1043Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1gkg n ASN 1043CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1gkg n PHE 1044N 12.23 -2.60 0.00 3.10 3.01 -1.26 -4.99 117.46 126.96 1gkg n PHE 1044Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 57.45 59.82 1gkg n PHE 1044Cb 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 39.48 36.88 1gkg n PHE 1044CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1gkg n HIS 1045N -0.37 -1.12 0.00 1.38 8.25 -1.26 -4.76 115.22 117.34 1gkg n HIS 1045Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gkg n HIS 1045Cb 0.00 0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -2.45 0.00 -0.19 4.41 9.36 -1.25 -0.11 117.16 126.93 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 0.19 3.48 2.98 0.00 -1.26 -4.92 105.19 105.66 1gkg n GLY 1047Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gkg n GLY 1047CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 1048N 0.00 -0.50 -3.88 1.61 3.41 -1.26 -4.73 113.62 108.27 1gkg n SER 1048Ca 0.00 0.92 -0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1gkg n SER 1048Cb 0.00 -1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 62.70 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gkg s VAL 1049N -1.44 0.12 -0.20 -3.33 0.11 -1.26 -2.38 120.40 112.02 1gkg s VAL 1049Ca 0.64 -1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 1gkg s VAL 1049Cb -0.59 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.38 1gkg s VAL 1049CO 0.57 -0.55 0.49 0.54 -3.33 0.00 0.00 175.10 172.83 1gkg s VAL 1050N -2.69 -0.02 -0.30 2.04 0.11 0.14 -4.74 120.40 114.93 1gkg s VAL 1050Ca -0.04 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1gkg s VAL 1050Cb -0.01 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1gkg s VAL 1050CO -0.05 0.03 0.16 -0.89 -3.33 0.00 0.00 175.10 171.02 1gkg s THR 1051N 1.45 4.74 0.51 5.04 2.01 -1.26 -1.67 115.64 126.47 1gkg s THR 1051Ca -0.10 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1gkg s THR 1051Cb -0.07 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 1gkg s THR 1051CO -0.15 0.11 1.04 -0.31 -0.69 0.00 0.00 174.62 174.62 1gkg s TYR 1052N 1.65 3.01 0.00 4.92 1.51 0.80 -1.96 117.35 127.27 1gkg s TYR 1052Ca 0.05 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 1gkg s TYR 1052Cb -0.17 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1gkg s TYR 1052CO 0.07 -0.89 0.00 -2.13 -1.11 0.00 0.00 175.55 171.49 1gkg n ARG 1053N -1.26 2.01 -0.81 -0.62 0.63 -0.95 -4.87 116.66 110.80 1gkg n ARG 1053Ca 0.09 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.04 1gkg n ARG 1053Cb 0.53 -0.17 -0.01 0.00 0.45 0.00 0.00 32.46 33.26 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg n ASN 1055N -2.33 0.00 0.00 0.00 2.85 0.81 -3.91 115.26 112.68 1gkg n ASN 1055Ca -0.01 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 1gkg n ASN 1055Cb 0.28 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.09 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1gkg n LEU 1056N -1.47 0.00 0.00 1.20 4.77 -1.23 -4.85 117.00 115.43 1gkg n LEU 1056Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1gkg n LEU 1056Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1gkg n LEU 1056CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1gkg n GLY 1057N 0.00 1.08 0.48 -0.72 0.00 -1.26 -4.62 105.19 100.15 1gkg n GLY 1057Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 1gkg n GLY 1057CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gkg h SER 1058N 0.00 0.00 0.00 1.61 0.02 -1.91 -2.99 113.55 110.27 1gkg h SER 1058Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gkg h SER 1058Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gkg h SER 1058CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1gkg n ARG 1059N -3.73 0.00 -2.54 3.45 5.12 -1.26 -5.00 116.66 112.70 1gkg n ARG 1059Ca 0.18 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.00 1gkg n ARG 1059Cb 1.10 -0.06 -0.00 0.00 -1.16 0.00 0.00 32.46 32.33 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 -0.50 0.00 -0.13 0.00 -1.13 -4.82 105.19 98.61 1gkg n GLY 1060Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.80 0.00 -3.81 1.61 0.00 -1.26 -4.83 116.66 105.57 1gkg n ARG 1061Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.48 1gkg n ARG 1061Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.07 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 -0.03 -5.83 -3.06 -0.14 4.81 -1.26 -4.89 118.16 107.75 1gkg n LYS 1062Ca 0.00 0.65 -0.16 0.00 -0.87 0.00 0.00 58.31 57.93 1gkg n LYS 1062Cb 0.00 -5.50 -0.01 0.00 0.02 0.00 0.00 35.03 29.54 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 -4.64 0.09 -1.21 3.15 0.24 -1.26 -4.98 118.33 109.72 1gkg n VAL 1063Ca -0.04 -4.16 0.00 0.00 -2.04 0.00 0.00 64.34 58.10 1gkg n VAL 1063Cb 0.57 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 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 0.20 0.00 -3.31 6.34 3.72 -1.26 -3.47 117.46 119.68 1gkg n PHE 1064Ca 0.21 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.30 1gkg n PHE 1064Cb 0.70 -1.21 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1gkg s GLU 1065N -0.45 3.80 0.38 -1.08 0.41 -1.26 -4.59 118.70 115.92 1gkg s GLU 1065Ca 0.00 0.31 -0.26 0.00 -0.41 0.00 0.00 54.97 54.61 1gkg s GLU 1065Cb 0.00 -2.59 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 1gkg s GLU 1065CO 0.00 0.24 1.23 -1.17 -0.49 0.00 0.00 175.26 175.07 1gkg s LEU 1066N -3.05 4.26 -0.02 1.80 2.96 -1.26 0.79 118.68 124.17 1gkg s LEU 1066Ca 0.48 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 1gkg s LEU 1066Cb -0.11 -3.90 0.02 0.00 0.50 0.00 0.00 46.19 42.70 1gkg s LEU 1066CO 0.23 -0.68 0.01 -0.69 -1.32 0.00 0.00 176.35 173.89 1gkg s VAL 1067N -1.30 0.07 0.00 1.68 1.01 0.15 -4.83 120.40 117.17 1gkg s VAL 1067Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1gkg s VAL 1067Cb -0.35 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1gkg s VAL 1067CO 0.44 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1gkg n GLY 1068N 3.74 0.42 3.69 4.51 0.00 -1.26 -2.00 105.19 114.28 1gkg n GLY 1068Ca -0.22 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.22 0.15 1.61 1.03 -1.26 -4.91 118.70 119.54 1gkg s GLU 1069Ca 0.00 2.23 0.13 0.00 0.03 0.00 0.00 54.97 57.36 1gkg s GLU 1069Cb 0.00 -3.55 -0.09 0.00 -0.80 0.00 0.00 34.13 29.69 1gkg s GLU 1069CO 0.00 -0.67 1.16 -1.00 -1.33 0.00 0.00 175.26 173.41 1gkg h PRO 1070N 8.04 0.00 -3.53 -4.83 0.14 -1.93 -3.38 132.00 126.51 1gkg h PRO 1070Ca -0.41 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 65.57 1gkg h PRO 1070Cb 1.20 0.00 -0.22 0.00 0.14 0.00 0.00 31.00 32.12 1gkg h PRO 1070CO 0.92 0.56 -0.52 -1.12 0.14 0.00 0.00 178.00 177.98 1gkg s SER 1071N -6.30 0.01 0.08 1.44 0.01 -1.26 -0.14 113.70 107.54 1gkg s SER 1071Ca 0.01 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 1gkg s SER 1071Cb 0.08 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1gkg s SER 1071CO 0.79 -0.30 0.09 0.27 0.41 0.00 0.00 173.24 174.51 1gkg s ILE 1072N -1.08 0.17 -0.08 1.44 -4.36 -0.67 -5.00 121.20 111.61 1gkg s ILE 1072Ca -0.12 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 1gkg s ILE 1072Cb -0.06 -1.49 0.07 0.00 1.25 0.00 0.00 42.46 42.23 1gkg s ILE 1072CO 0.01 -0.77 0.69 -0.72 0.24 0.00 0.00 174.94 174.40 1gkg s TYR 1073N -3.90 -0.67 0.47 1.37 -0.85 -1.26 -0.69 117.35 111.82 1gkg s TYR 1073Ca 0.08 1.23 -0.23 0.00 -0.52 0.00 0.00 57.07 57.62 1gkg s TYR 1073Cb 0.06 0.39 -0.07 0.00 0.38 0.00 0.00 41.96 42.73 1gkg s TYR 1073CO -0.09 -0.57 1.27 0.00 -1.52 0.00 0.00 175.55 174.63 1gkg n THR 1075N -0.49 0.00 -1.00 0.00 5.66 -1.23 -4.61 114.28 112.61 1gkg n THR 1075Ca 0.07 -0.04 0.12 0.00 -3.05 0.00 0.00 64.05 61.16 1gkg n THR 1075Cb 0.46 0.21 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.02 -5.53 0.00 1.09 3.41 -1.19 -5.00 113.62 106.42 1gkg n SER 1076Ca -0.08 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1gkg n SER 1076Cb 0.59 -3.20 0.00 0.00 -0.26 0.00 0.00 64.21 61.34 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 -4.32 0.00 0.00 4.04 2.04 -1.26 -4.78 115.26 110.98 1gkg n ASN 1077Ca -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.13 1gkg n ASN 1077Cb 0.61 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.87 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 -0.85 0.00 0.00 0.53 -0.08 -1.26 -5.03 116.55 109.85 1gkg n ASP 1078Ca 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1gkg n ASP 1078Cb 0.00 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1gkg n ASP 1079N -1.36 0.00 -0.92 1.67 -0.08 -1.26 -4.99 116.55 109.61 1gkg n ASP 1079Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 1gkg n ASP 1079Cb 0.00 0.08 -0.06 0.00 2.34 0.00 0.00 41.12 43.48 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gkg n GLN 1080N -1.55 0.00 0.08 -0.67 0.00 -1.26 -4.91 117.38 109.06 1gkg n GLN 1080Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 57.00 55.96 1gkg n GLN 1080Cb 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 30.24 30.59 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1gkg h VAL 1081N 4.28 1.13 -1.82 -0.39 2.07 -1.94 -3.42 116.25 116.16 1gkg h VAL 1081Ca -0.48 -2.72 -0.02 0.00 0.82 0.00 0.00 66.70 64.29 1gkg h VAL 1081Cb 1.28 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 33.86 1gkg h VAL 1081CO -0.25 0.83 -0.04 0.61 0.02 0.00 0.00 177.57 178.74 1gkg n GLY 1082N 1.72 0.59 3.74 2.17 0.00 -1.20 -4.46 105.19 107.75 1gkg n GLY 1082Ca -0.18 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.02 4.49 0.46 -0.61 1.01 -1.26 -4.21 121.20 118.07 1gkg s ILE 1083Ca 0.01 1.89 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1gkg s ILE 1083Cb -0.01 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1gkg s ILE 1083CO 0.04 0.38 1.14 0.26 0.00 0.00 0.00 174.94 176.77 1gkg s TRP 1084N -0.33 2.91 0.40 3.97 0.52 -1.26 -3.14 118.94 122.01 1gkg s TRP 1084Ca 0.42 1.55 0.22 0.00 0.02 0.00 0.00 56.10 58.31 1gkg s TRP 1084Cb -0.23 -3.33 1.23 0.00 -1.15 0.00 0.00 33.47 29.99 1gkg s TRP 1084CO 0.28 -1.38 1.68 0.66 0.02 0.00 0.00 176.95 178.20 1gkg h SER 1085N 2.01 0.38 -3.44 2.95 4.64 -1.79 -3.42 113.55 114.88 1gkg h SER 1085Ca -0.49 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1gkg h SER 1085Cb 1.24 0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 63.18 1gkg h SER 1085CO 0.60 -0.09 0.40 -0.83 -0.87 0.00 0.00 176.83 176.05 1gkg s GLY 1086N -4.10 -0.23 1.33 -0.77 0.00 -1.26 -5.07 107.32 97.22 1gkg s GLY 1086Ca -0.09 2.49 -0.20 0.00 0.00 0.00 0.00 44.72 46.92 1gkg s GLY 1086CO 0.80 1.73 0.77 -1.05 0.00 0.00 0.00 173.10 175.36 1gkg n PRO 1087N 2.13 -3.89 -1.95 2.90 -0.02 -1.26 -4.87 135.00 128.04 1gkg n PRO 1087Ca -0.13 -1.15 -0.40 0.00 -2.02 0.00 0.00 63.50 59.81 1gkg n PRO 1087Cb 0.56 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s ALA 1088N -2.16 3.40 0.13 3.55 0.00 -1.26 -4.94 121.76 120.47 1gkg s ALA 1088Ca 0.62 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1gkg s ALA 1088Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1gkg s ALA 1088CO 0.55 -0.91 0.00 -0.35 0.00 0.00 0.00 175.76 175.04 1gkg n PRO 1089N 0.31 3.21 -3.75 0.00 -0.04 -1.26 -5.02 135.00 128.44 1gkg n PRO 1089Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1gkg n PRO 1089Cb 0.42 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 1gkg n PRO 1089CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1gkg s GLN 1090N 0.00 0.18 -1.10 0.54 -1.52 -0.85 -4.96 119.66 111.95 1gkg s GLN 1090Ca 0.00 0.42 -0.05 0.00 -1.95 0.00 0.00 55.36 53.77 1gkg s GLN 1090Cb 0.00 -0.08 0.30 0.00 -0.22 0.00 0.00 33.01 33.01 1gkg s GLN 1090CO 0.00 -0.13 1.43 0.00 -0.25 0.00 0.00 175.29 176.34