#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 4.59 -0.82 -1.84 0.00 -1.26 -4.62 120.51 116.56 1gkg n ALA 958 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 1gkg n ALA 958 Cb 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 1gkg n ALA 958 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gkg n GLU 959 N 1.87 1.64 -4.14 0.00 1.02 -1.26 -4.67 120.64 115.09 1gkg n GLU 959 Ca 0.14 -0.67 -0.34 0.00 -0.02 0.00 0.00 57.16 56.26 1gkg n GLU 959 Cb 0.60 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gkg n ALA 960 N 2.21 -1.30 -1.76 0.62 0.00 -1.26 -4.91 120.51 114.11 1gkg n ALA 960 Ca 0.29 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 1gkg n ALA 960 Cb 0.76 -3.65 -0.05 0.00 0.00 0.00 0.00 19.45 16.51 1gkg n ALA 960 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1gkg s LYS 961 N -6.84 4.70 -0.15 0.00 2.47 -1.26 -5.05 119.74 113.61 1gkg s LYS 961 Ca 0.69 1.60 -0.25 0.00 -1.56 0.00 0.00 55.97 56.44 1gkg s LYS 961 Cb -0.37 -3.15 0.06 0.00 -1.46 0.00 0.00 37.83 32.92 1gkg s LYS 961 CO 0.90 0.33 0.63 -1.54 0.16 0.00 0.00 175.35 175.83 1gkg s SER 962 N -1.13 -0.62 0.00 1.43 1.04 -1.26 -3.84 113.70 109.31 1gkg s SER 962 Ca 0.44 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1gkg s SER 962 Cb -0.27 0.92 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1gkg s SER 962 CO 0.34 -0.40 1.16 0.00 0.98 0.00 0.00 173.24 175.33 1gkg n LYS 964 N 0.67 -4.74 -1.68 0.00 3.00 -1.26 -4.63 118.16 109.52 1gkg n LYS 964 Ca 0.00 3.56 -0.51 0.00 -0.00 0.00 0.00 58.31 61.36 1gkg n LYS 964 Cb 0.50 -4.10 -0.06 0.00 0.00 0.00 0.00 35.03 31.37 1gkg n LYS 964 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1gkg n THR 965 N -1.25 0.37 -1.60 3.15 -1.04 -1.26 -4.80 114.28 107.86 1gkg n THR 965 Ca 0.00 -0.07 -0.50 0.00 -2.04 0.00 0.00 64.05 61.45 1gkg n THR 965 Cb 0.10 -1.53 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1gkg n THR 965 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1gkg n PRO 966 N 5.49 1.67 -1.93 -2.82 -0.04 -1.26 -4.89 135.00 131.22 1gkg n PRO 966 Ca 0.23 0.56 -0.42 0.00 -0.04 0.00 0.00 63.50 63.82 1gkg n PRO 966 Cb 0.23 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 1gkg n PRO 966 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1gkg s PRO 967 N 5.02 4.21 -0.24 0.54 0.02 -1.26 -4.84 135.00 138.45 1gkg s PRO 967 Ca 1.00 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 64.08 1gkg s PRO 967 Cb -0.75 -3.36 -0.06 0.00 0.02 0.00 0.00 34.50 30.36 1gkg s PRO 967 CO 0.50 -0.67 2.23 -0.40 -0.33 0.00 0.00 177.00 178.34 1gkg n ASP 968 N 4.73 3.13 -4.75 2.53 5.75 -1.26 -4.87 116.55 121.81 1gkg n ASP 968 Ca 0.15 0.19 -0.38 0.00 -0.01 0.00 0.00 54.79 54.74 1gkg n ASP 968 Cb 0.39 -1.53 0.04 0.00 -1.03 0.00 0.00 41.12 38.99 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1gkg s PRO 969 N 6.43 3.10 -0.03 0.11 0.02 -0.77 -4.86 135.00 138.99 1gkg s PRO 969 Ca 1.02 2.13 -0.38 0.00 0.02 0.00 0.00 61.00 63.78 1gkg s PRO 969 Cb -0.37 -2.18 -0.17 0.00 0.02 0.00 0.00 34.50 31.80 1gkg s PRO 969 CO 0.36 -1.19 1.44 1.33 -0.33 0.00 0.00 177.00 178.61 1gkg n VAL 970 N -1.15 0.09 -3.89 3.83 0.24 -1.26 -0.34 118.33 115.83 1gkg n VAL 970 Ca 0.11 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.34 62.13 1gkg n VAL 970 Cb 0.46 -0.87 0.01 0.00 -1.47 0.00 0.00 33.84 31.97 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1gkg n ASN 971 N 3.28 -2.07 -3.48 -1.34 3.02 -1.26 -3.43 115.26 109.98 1gkg n ASN 971 Ca 0.21 -0.89 0.01 0.00 -0.03 0.00 0.00 54.58 53.88 1gkg n ASN 971 Cb 0.16 -3.56 -0.05 0.00 -0.61 0.00 0.00 39.78 35.72 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 -3.98 -0.00 0.00 7.41 0.00 0.53 0.43 107.32 111.72 1gkg s GLY 972 Ca 0.26 3.22 -0.06 0.00 0.00 0.00 0.00 44.72 48.13 1gkg s GLY 972 CO 0.85 3.01 0.26 1.06 0.00 0.00 0.00 173.10 178.28 1gkg s MET 973 N 1.93 3.57 0.20 2.90 -1.94 -1.23 -1.85 119.30 122.87 1gkg s MET 973 Ca -0.05 -0.09 -0.13 0.00 -1.71 0.00 0.00 55.69 53.71 1gkg s MET 973 Cb -0.04 -3.08 -0.07 0.00 2.01 0.00 0.00 34.83 33.64 1gkg s MET 973 CO -0.16 0.65 0.58 0.54 -0.01 0.00 0.00 175.02 176.63 1gkg s VAL 974 N -1.29 4.84 -0.48 -6.03 0.11 -1.26 -0.28 120.40 116.00 1gkg s VAL 974 Ca 0.27 0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1gkg s VAL 974 Cb -0.13 -3.69 0.13 0.00 -1.53 0.00 0.00 36.38 31.15 1gkg s VAL 974 CO 0.16 0.09 0.26 -1.00 -3.33 0.00 0.00 175.10 171.28 1gkg s HIS 975 N -1.64 3.49 -0.90 1.54 3.76 0.17 -4.95 115.29 116.76 1gkg s HIS 975 Ca 0.43 -2.76 -0.25 0.00 -0.15 0.00 0.00 55.06 52.34 1gkg s HIS 975 Cb -0.13 -3.09 -0.07 0.00 1.11 0.00 0.00 32.58 30.39 1gkg s HIS 975 CO 0.20 -0.89 2.05 0.08 -0.85 0.00 0.00 174.74 175.33 1gkg s VAL 976 N 0.46 3.35 0.00 -0.90 1.01 -1.26 -2.35 120.40 120.72 1gkg s VAL 976 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1gkg s VAL 976 Cb -0.22 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1gkg s VAL 976 CO -0.04 -0.74 0.00 -0.38 0.00 0.00 0.00 175.10 173.95 1gkg n ILE 977 N 8.09 0.00 0.35 2.22 5.41 -1.26 -4.68 119.36 129.49 1gkg n ILE 977 Ca 0.42 0.12 -0.14 0.00 1.00 0.00 0.00 62.75 64.15 1gkg n ILE 977 Cb 0.46 -0.37 -0.07 0.00 -0.71 0.00 0.00 39.64 38.96 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1gkg h THR 978 N 0.00 0.00 0.00 1.39 1.35 -1.86 -3.49 112.91 110.30 1gkg h THR 978 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1gkg h THR 978 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1gkg h THR 978 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 1gkg n ASP 979 N -4.46 2.76 0.00 5.36 8.00 -1.26 -5.02 116.55 121.93 1gkg n ASP 979 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1gkg n ASP 979 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.38 0.53 -5.35 -1.26 -4.77 119.36 107.12 1gkg n ILE 980 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1gkg n ILE 980 Cb 0.00 0.00 0.11 0.00 -1.74 0.00 0.00 39.64 38.01 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 -0.35 1.76 0.16 6.28 -0.21 -1.26 -2.78 119.66 123.26 1gkg s GLN 981 Ca 0.00 0.76 -0.32 0.00 0.02 0.00 0.00 55.36 55.82 1gkg s GLN 981 Cb 0.00 -1.87 -0.17 0.00 1.00 0.00 0.00 33.01 31.97 1gkg s GLN 981 CO 0.00 -1.88 0.92 1.55 -2.12 0.00 0.00 175.29 173.76 1gkg n VAL 982 N -3.63 1.17 -1.91 1.09 3.14 -1.25 -3.23 118.33 113.71 1gkg n VAL 982 Ca 0.07 -0.29 -0.01 0.00 -2.96 0.00 0.00 64.34 61.14 1gkg n VAL 982 Cb 0.55 -0.40 0.01 0.00 -1.06 0.00 0.00 33.84 32.94 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 983 N 1.82 0.54 3.64 7.55 0.00 0.06 -4.97 105.19 113.83 1gkg n GLY 983 Ca 0.17 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1gkg n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gkg s SER 984 N -3.08 -0.73 0.16 1.61 1.04 -1.20 -4.92 113.70 106.58 1gkg s SER 984 Ca 0.02 1.17 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1gkg s SER 984 Cb -0.00 1.30 -0.06 0.00 0.10 0.00 0.00 66.02 67.35 1gkg s SER 984 CO 0.07 -0.19 0.43 -0.13 0.98 0.00 0.00 173.24 174.40 1gkg s ARG 985 N 1.45 3.68 -0.03 4.02 1.81 -1.26 -2.07 118.95 126.54 1gkg s ARG 985 Ca -0.09 0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 53.91 1gkg s ARG 985 Cb -0.04 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1gkg s ARG 985 CO -0.17 0.43 0.10 0.96 -0.68 0.00 0.00 175.30 175.94 1gkg s ILE 986 N -1.68 0.01 -0.22 1.52 -4.36 -0.78 -3.06 121.20 112.63 1gkg s ILE 986 Ca 0.42 -0.11 -0.07 0.00 -0.26 0.00 0.00 60.65 60.64 1gkg s ILE 986 Cb -0.12 -0.18 -0.03 0.00 1.25 0.00 0.00 42.46 43.38 1gkg s ILE 986 CO 0.23 -0.06 0.04 0.42 0.24 0.00 0.00 174.94 175.82 1gkg s THR 987 N -0.15 4.30 0.72 8.37 -4.23 -0.99 -1.68 115.64 121.98 1gkg s THR 987 Ca -0.02 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1gkg s THR 987 Cb -0.02 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.93 1gkg s THR 987 CO 0.00 0.40 1.02 -0.31 -0.54 0.00 0.00 174.62 175.19 1gkg s TYR 988 N 1.11 2.56 0.15 3.99 1.51 0.44 0.45 117.35 127.56 1gkg s TYR 988 Ca 0.04 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1gkg s TYR 988 Cb -0.14 -3.22 -0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1gkg s TYR 988 CO 0.03 -1.53 0.18 0.45 -1.11 0.00 0.00 175.55 173.56 1gkg n SER 989 N -2.94 -0.49 -3.49 2.29 2.88 0.61 -4.82 113.62 107.66 1gkg n SER 989 Ca 0.10 -1.88 -0.12 0.00 -1.33 0.00 0.00 58.87 55.64 1gkg n SER 989 Cb 0.60 0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 65.01 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gkg n THR 991 N -0.29 0.00 -2.84 0.00 -2.24 0.17 -4.83 114.28 104.25 1gkg n THR 991 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1gkg n THR 991 Cb 0.64 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1gkg n THR 991 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gkg s THR 992 N -0.01 4.92 -0.74 4.28 2.01 -1.26 -4.01 115.64 120.83 1gkg s THR 992 Ca 0.00 1.82 -0.02 0.00 0.31 0.00 0.00 61.69 63.80 1gkg s THR 992 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1gkg s THR 992 CO 0.00 0.20 0.63 0.61 -0.69 0.00 0.00 174.62 175.37 1gkg n GLY 993 N 2.94 0.03 3.08 4.40 0.00 -1.26 -5.02 105.19 109.36 1gkg n GLY 993 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1gkg n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 994 N -3.20 -0.48 -0.07 1.61 4.02 -1.26 -2.89 115.29 113.03 1gkg s HIS 994 Ca 0.16 1.05 -0.25 0.00 1.02 0.00 0.00 55.06 57.04 1gkg s HIS 994 Cb -0.07 0.06 -0.03 0.00 -1.02 0.00 0.00 32.58 31.52 1gkg s HIS 994 CO 0.42 -0.35 0.77 0.50 1.02 0.00 0.00 174.74 177.11 1gkg s ARG 995 N 2.10 4.44 0.07 1.40 3.52 -0.25 -4.71 118.95 125.53 1gkg s ARG 995 Ca -0.03 1.00 -0.30 0.00 -0.13 0.00 0.00 55.73 56.27 1gkg s ARG 995 Cb -0.11 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1gkg s ARG 995 CO -0.10 -0.02 1.17 -1.17 -0.81 0.00 0.00 175.30 174.38 1gkg s LEU 996 N 1.04 4.39 -0.03 -0.88 0.20 -1.26 0.34 118.68 122.46 1gkg s LEU 996 Ca 0.40 2.01 -0.04 0.00 0.69 0.00 0.00 54.13 57.19 1gkg s LEU 996 Cb -0.18 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 1gkg s LEU 996 CO 0.19 -0.43 0.18 -0.63 -0.29 0.00 0.00 176.35 175.37 1gkg s ILE 997 N 0.88 5.45 -0.21 6.68 -1.09 0.19 -4.44 121.20 128.66 1gkg s ILE 997 Ca 0.57 -0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.93 1gkg s ILE 997 Cb -0.29 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1gkg s ILE 997 CO 0.30 0.40 0.10 0.61 -1.23 0.00 0.00 174.94 175.12 1gkg n GLY 998 N 1.20 0.56 1.90 6.18 0.00 -1.26 -2.53 105.19 111.24 1gkg n GLY 998 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.28 -4.85 -0.27 1.61 8.25 -1.26 -4.62 115.22 110.79 1gkg n HIS 999 Ca -0.01 2.53 -0.07 0.00 -0.26 0.00 0.00 57.72 59.91 1gkg n HIS 999 Cb 0.51 -3.69 0.03 0.00 1.12 0.00 0.00 29.99 27.96 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 0.31 4.91 -3.57 0.41 3.41 -1.26 -4.77 113.62 113.06 1gkg n SER 1000Ca 0.00 -2.60 -0.15 0.00 -0.26 0.00 0.00 58.87 55.86 1gkg n SER 1000Cb 0.00 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 62.98 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkg s SER 1001N 0.89 -0.62 -0.24 4.04 1.04 -1.26 -0.42 113.70 117.13 1gkg s SER 1001Ca 0.14 0.91 -0.26 0.00 0.48 0.00 0.00 55.95 57.23 1gkg s SER 1001Cb 0.11 0.83 0.08 0.00 0.10 0.00 0.00 66.02 67.14 1gkg s SER 1001CO 0.01 -0.41 0.76 0.00 0.98 0.00 0.00 173.24 174.57 1gkg s ALA 1002N -0.55 -1.80 -0.14 5.32 0.00 -0.68 -4.84 121.76 119.07 1gkg s ALA 1002Ca -0.05 1.91 -0.05 0.00 0.00 0.00 0.00 51.96 53.77 1gkg s ALA 1002Cb -0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1gkg s ALA 1002CO 0.04 -0.33 0.04 -2.00 0.00 0.00 0.00 175.76 173.51 1gkg s GLU 1003N 0.13 3.57 -0.72 0.00 2.12 -1.26 -1.87 118.70 120.66 1gkg s GLU 1003Ca -0.01 -0.35 -0.26 0.00 0.36 0.00 0.00 54.97 54.70 1gkg s GLU 1003Cb -0.04 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1gkg s GLU 1003CO 0.01 0.47 1.61 0.00 -0.54 0.00 0.00 175.26 176.82 1gkg n ILE 1005N 6.92 0.00 -3.69 0.00 -5.35 -0.81 -0.76 119.36 115.68 1gkg n ILE 1005Ca 0.17 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.46 1gkg n ILE 1005Cb 0.50 -1.46 -0.17 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 0.23 -0.36 7.28 1.98 -1.26 -2.26 118.68 124.29 1gkg s LEU 1006Ca 0.00 0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.38 1gkg s LEU 1006Cb 0.00 0.01 0.21 0.00 0.66 0.00 0.00 46.19 47.06 1gkg s LEU 1006CO 0.00 -0.23 2.13 -0.24 -1.89 0.00 0.00 176.35 176.12 1gkg n SER 1007N 5.11 6.56 -4.01 3.68 2.88 -0.82 -4.81 113.62 122.21 1gkg n SER 1007Ca -0.08 -3.13 -0.32 0.00 -1.33 0.00 0.00 58.87 54.00 1gkg n SER 1007Cb 0.50 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.89 1gkg n SER 1007CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gkg n GLY 1008N 0.34 -0.48 0.23 0.46 0.00 -1.26 -4.40 105.19 100.08 1gkg n GLY 1008Ca 0.35 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1gkg n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gkg n ASN 1009N -2.75 0.00 -3.72 1.61 4.05 -1.26 -5.15 115.26 108.04 1gkg n ASN 1009Ca 0.06 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.95 1gkg n ASN 1009Cb 0.51 0.06 -0.09 0.00 1.23 0.00 0.00 39.78 41.49 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gkg s THR 1010N -1.68 0.04 0.16 -0.44 2.01 -1.26 -5.15 115.64 109.32 1gkg s THR 1010Ca 0.00 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1gkg s THR 1010Cb 0.00 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 1gkg s THR 1010CO 0.00 -0.17 1.12 0.00 -0.69 0.00 0.00 174.62 174.88 1gkg s ALA 1011N -0.98 3.37 -0.11 7.40 0.00 -1.26 -1.95 121.76 128.23 1gkg s ALA 1011Ca -0.10 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1gkg s ALA 1011Cb -0.04 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1gkg s ALA 1011CO 0.04 -0.26 0.33 -1.01 0.00 0.00 0.00 175.76 174.87 1gkg s HIS 1012N -0.01 -0.34 0.03 0.00 3.76 -0.96 -4.00 115.29 113.77 1gkg s HIS 1012Ca 0.51 0.80 -0.30 0.00 -0.15 0.00 0.00 55.06 55.92 1gkg s HIS 1012Cb -0.29 0.12 -0.06 0.00 1.11 0.00 0.00 32.58 33.45 1gkg s HIS 1012CO 0.34 -0.22 1.47 -1.58 -0.85 0.00 0.00 174.74 173.91 1gkg s TRP 1013N -0.08 2.77 0.60 1.40 0.52 -1.26 -1.93 118.94 120.96 1gkg s TRP 1013Ca -0.02 0.69 0.29 0.00 0.02 0.00 0.00 56.10 57.08 1gkg s TRP 1013Cb -0.03 -3.75 1.49 0.00 -1.15 0.00 0.00 33.47 30.04 1gkg s TRP 1013CO 0.01 -2.84 1.91 0.77 0.02 0.00 0.00 176.95 176.82 1gkg h SER 1014N 7.87 0.00 -3.40 2.95 0.02 -1.86 -3.41 113.55 115.73 1gkg h SER 1014Ca -0.39 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.01 1gkg h SER 1014Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 1gkg h SER 1014CO 0.91 0.00 0.02 0.42 -1.14 0.00 0.00 176.83 177.03 1gkg s THR 1015N -4.57 4.69 0.85 -2.27 -4.23 -1.26 -5.06 115.64 103.78 1gkg s THR 1015Ca -0.04 1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 61.52 1gkg s THR 1015Cb 0.15 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 70.24 1gkg s THR 1015CO 0.52 0.33 1.10 -1.59 -0.54 0.00 0.00 174.62 174.45 1gkg s LYS 1016N -1.68 1.63 -0.43 3.99 0.00 -1.26 -4.84 119.74 117.15 1gkg s LYS 1016Ca 0.37 1.08 -0.43 0.00 0.00 0.00 0.00 55.97 56.99 1gkg s LYS 1016Cb -0.17 -1.83 -0.18 0.00 0.00 0.00 0.00 37.83 35.65 1gkg s LYS 1016CO 0.20 -2.06 1.83 -2.30 0.00 0.00 0.00 175.35 173.03 1gkg n PRO 1017N -3.79 0.41 -2.23 1.78 -0.02 -1.26 -4.86 135.00 125.03 1gkg n PRO 1017Ca 0.08 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1gkg n PRO 1017Cb 0.54 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 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 4.21 4.43 -0.13 0.52 0.04 -1.26 -4.81 135.00 138.00 1gkg s PRO 1018Ca 1.07 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 64.10 1gkg s PRO 1018Cb -1.32 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 30.12 1gkg s PRO 1018CO 0.71 -0.11 0.32 -1.50 0.04 0.00 0.00 177.00 176.45 1gkg s ILE 1019N -0.75 -0.02 -0.39 0.56 2.07 -1.05 -4.57 121.20 117.05 1gkg s ILE 1019Ca 0.50 0.08 -0.24 0.00 -1.41 0.00 0.00 60.65 59.58 1gkg s ILE 1019Cb -0.37 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 41.76 1gkg s ILE 1019CO 0.45 0.03 0.84 0.00 -1.91 0.00 0.00 174.94 174.36 1gkg s GLN 1021N 3.30 4.51 -0.06 0.00 2.00 0.15 -4.87 119.66 124.69 1gkg s GLN 1021Ca 0.34 1.49 -0.30 0.00 -2.00 0.00 0.00 55.36 54.89 1gkg s GLN 1021Cb -0.12 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 1gkg s GLN 1021CO 0.19 -0.15 1.42 0.50 -0.50 0.00 0.00 175.29 176.76 1gkg s ARG 1022N 1.23 4.24 -0.11 1.67 3.52 -1.26 -1.09 118.95 127.16 1gkg s ARG 1022Ca 0.53 1.93 -0.36 0.00 -0.13 0.00 0.00 55.73 57.69 1gkg s ARG 1022Cb -0.22 -3.73 -0.13 0.00 -1.56 0.00 0.00 34.95 29.30 1gkg s ARG 1022CO 0.26 -0.68 1.78 -0.89 -0.81 0.00 0.00 175.30 174.97 1gkg n ILE 1023N 5.07 0.41 -2.77 4.11 5.41 -1.14 -4.75 119.36 125.70 1gkg n ILE 1023Ca 0.14 -0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.40 1gkg n ILE 1023Cb 0.44 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1gkg s PRO 1024N 3.41 4.39 -0.30 0.38 0.04 -1.24 -2.82 135.00 138.87 1gkg s PRO 1024Ca 0.93 1.26 0.07 0.00 0.04 0.00 0.00 61.00 63.30 1gkg s PRO 1024Cb -0.82 -3.54 0.64 0.00 0.04 0.00 0.00 34.50 30.81 1gkg s PRO 1024CO 0.54 -0.29 1.69 0.00 0.04 0.00 0.00 177.00 178.98 1gkg n GLY 1026N -0.23 0.89 3.85 0.00 0.00 -1.26 -4.49 105.19 103.95 1gkg n GLY 1026Ca 0.38 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 4.43 0.72 0.99 1.43 -1.26 -4.85 118.68 120.13 1gkg s LEU 1027Ca 0.00 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 1gkg s LEU 1027Cb 0.00 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.49 1gkg s LEU 1027CO 0.00 0.26 1.11 -2.16 0.23 0.00 0.00 176.35 175.80 1gkg s PRO 1028N -1.39 2.48 -0.14 1.29 0.04 -1.26 -4.88 135.00 131.13 1gkg s PRO 1028Ca 0.27 1.35 -0.41 0.00 0.04 0.00 0.00 61.00 62.25 1gkg s PRO 1028Cb -0.16 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 1gkg s PRO 1028CO 0.15 -1.50 1.34 -2.30 0.04 0.00 0.00 177.00 174.74 1gkg n PRO 1029N -2.91 0.38 -2.42 0.56 -0.02 -1.26 -4.82 135.00 124.51 1gkg n PRO 1029Ca 0.10 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 1gkg n PRO 1029Cb 0.52 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.29 3.66 -0.53 3.45 -4.23 -1.26 -4.96 115.64 113.05 1gkg s THR 1030Ca 0.94 0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 61.39 1gkg s THR 1030Cb -1.24 -4.69 0.04 0.00 1.34 0.00 0.00 72.50 67.95 1gkg s THR 1030CO 0.62 -1.63 0.92 -0.51 -0.54 0.00 0.00 174.62 173.48 1gkg s ILE 1031N 6.53 4.43 0.43 2.99 2.07 -1.26 -5.03 121.20 131.36 1gkg s ILE 1031Ca 0.45 0.35 -0.22 0.00 -1.41 0.00 0.00 60.65 59.81 1gkg s ILE 1031Cb -0.08 -4.50 -0.09 0.00 0.13 0.00 0.00 42.46 37.92 1gkg s ILE 1031CO 0.12 -1.04 1.02 0.00 -1.91 0.00 0.00 174.94 173.14 1gkg s ALA 1032N 3.85 3.01 -0.59 1.50 0.00 -1.26 -2.41 121.76 125.85 1gkg s ALA 1032Ca 0.31 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1gkg s ALA 1032Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1gkg s ALA 1032CO 0.20 -0.17 0.00 0.09 0.00 0.00 0.00 175.76 175.89 1gkg n ASN 1033N -0.45 -2.77 0.00 0.00 5.03 -1.26 -4.65 115.26 111.16 1gkg n ASN 1033Ca 0.07 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.54 1gkg n ASN 1033Cb 0.51 -1.90 0.00 0.00 -1.02 0.00 0.00 39.78 37.37 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gkg n GLY 1034N -1.20 -0.38 0.71 7.41 0.00 -1.24 -2.14 105.19 108.34 1gkg n GLY 1034Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1gkg n GLY 1034CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gkg n ASP 1035N -2.14 -3.96 -4.81 1.61 8.00 -1.01 -3.48 116.55 110.76 1gkg n ASP 1035Ca 0.00 0.77 -0.36 0.00 0.71 0.00 0.00 54.79 55.91 1gkg n ASP 1035Cb 0.00 -1.70 -0.06 0.00 -0.02 0.00 0.00 41.12 39.34 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gkg s PHE 1036N -4.12 3.60 0.49 1.24 -0.12 -1.26 -3.47 117.98 114.34 1gkg s PHE 1036Ca 0.00 1.47 -0.02 0.00 -0.05 0.00 0.00 56.93 58.33 1gkg s PHE 1036Cb 0.00 -2.69 -0.00 0.00 -0.63 0.00 0.00 43.02 39.69 1gkg s PHE 1036CO 0.00 0.24 0.74 0.42 -0.05 0.00 0.00 175.22 176.58 1gkg s ILE 1037N -1.65 4.02 0.21 -4.49 1.01 -0.68 -4.97 121.20 114.64 1gkg s ILE 1037Ca 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1gkg s ILE 1037Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1gkg s ILE 1037CO 0.21 -0.43 0.00 -1.20 0.00 0.00 0.00 174.94 173.52 1gkg n SER 1038N -2.23 -3.20 0.02 3.58 7.64 -1.26 -4.33 113.62 113.84 1gkg n SER 1038Ca 0.02 0.45 -0.08 0.00 1.01 0.00 0.00 58.87 60.27 1gkg n SER 1038Cb 0.57 -1.82 -0.05 0.00 -1.01 0.00 0.00 64.21 61.90 1gkg n SER 1038CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1gkg h THR 1039N -0.53 0.00 -6.35 0.44 1.35 -1.96 -3.44 112.91 102.41 1gkg h THR 1039Ca -0.05 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.39 1gkg h THR 1039Cb 0.52 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.79 1gkg h THR 1039CO 0.02 0.00 -0.65 -3.20 -0.25 0.00 0.00 175.52 171.44 1gkg n ASN 1040N -4.01 0.47 -0.06 5.36 2.85 -1.26 -4.83 115.26 113.78 1gkg n ASN 1040Ca -0.04 -0.86 -0.03 0.00 -0.11 0.00 0.00 54.58 53.55 1gkg n ASN 1040Cb 0.20 -1.07 -0.01 0.00 1.24 0.00 0.00 39.78 40.14 1gkg n ASN 1040CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1gkg h ARG 1041N -0.85 0.00 0.00 1.20 3.08 -1.97 -3.49 114.38 112.35 1gkg h ARG 1041Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1gkg h ARG 1041Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1gkg h ARG 1041CO 0.49 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 1gkg n GLU 1042N -4.50 0.00 -2.25 0.04 1.02 -1.26 -5.03 120.64 108.66 1gkg n GLU 1042Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1gkg n GLU 1042Cb 0.15 -0.23 -0.03 0.00 -0.02 0.00 0.00 31.44 31.32 1gkg n GLU 1042CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gkg s ASN 1043N -2.70 6.86 0.00 1.62 -0.87 -1.26 -4.76 114.94 113.83 1gkg s ASN 1043Ca 0.00 2.02 0.00 0.00 -1.57 0.00 0.00 52.86 53.31 1gkg s ASN 1043Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1gkg s ASN 1043CO 0.00 -0.75 0.00 0.49 -2.57 0.00 0.00 177.10 174.27 1gkg n PHE 1044N 5.89 -0.74 0.00 2.20 3.72 -1.26 -4.89 117.46 122.38 1gkg n PHE 1044Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1gkg n PHE 1044Cb 0.44 0.34 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 1gkg n PHE 1044CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1gkg n HIS 1045N -2.19 0.00 0.22 1.38 8.25 -1.26 -1.72 115.22 119.89 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 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 2.33 0.00 0.00 4.41 9.36 -1.13 0.40 117.16 132.53 1gkg n TYR 1046Ca 0.00 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1gkg n TYR 1046Cb 0.00 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.60 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 0.78 1.99 0.00 2.98 0.00 -0.70 -4.44 105.19 105.80 1gkg n GLY 1047Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 4.87 0.00 -3.58 1.61 2.88 -1.26 -4.49 113.62 113.66 1gkg n SER 1048Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1gkg n SER 1048Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gkg s VAL 1049N 0.00 0.03 -0.20 2.46 0.11 -1.26 -2.07 120.40 119.46 1gkg s VAL 1049Ca 0.00 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.72 1gkg s VAL 1049Cb 0.00 -0.95 0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1gkg s VAL 1049CO 0.00 -0.12 0.48 0.54 -3.33 0.00 0.00 175.10 172.67 1gkg s VAL 1050N -2.21 -0.08 -0.24 2.04 0.11 -0.52 -4.93 120.40 114.58 1gkg s VAL 1050Ca -0.07 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.83 1gkg s VAL 1050Cb -0.01 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1gkg s VAL 1050CO 0.00 0.03 0.75 -0.89 -3.33 0.00 0.00 175.10 171.66 1gkg s THR 1051N 1.58 4.90 0.22 5.04 2.01 -1.26 -2.06 115.64 126.07 1gkg s THR 1051Ca -0.09 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 1gkg s THR 1051Cb -0.08 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1gkg s THR 1051CO -0.15 -0.02 0.93 -0.31 -0.69 0.00 0.00 174.62 174.39 1gkg s TYR 1052N 2.60 3.97 -0.08 4.92 1.51 0.14 -1.69 117.35 128.71 1gkg s TYR 1052Ca 0.32 1.89 -0.10 0.00 -1.01 0.00 0.00 57.07 58.16 1gkg s TYR 1052Cb -0.15 -2.97 0.02 0.00 -0.11 0.00 0.00 41.96 38.75 1gkg s TYR 1052CO 0.08 0.44 0.27 0.50 -1.11 0.00 0.00 175.55 175.73 1gkg s ARG 1053N -1.06 0.40 0.45 -0.62 3.52 -1.23 -4.76 118.95 115.66 1gkg s ARG 1053Ca 0.41 0.19 -0.21 0.00 -0.13 0.00 0.00 55.73 56.00 1gkg s ARG 1053Cb -0.26 0.19 -0.10 0.00 -1.56 0.00 0.00 34.95 33.22 1gkg s ARG 1053CO 0.31 -0.07 0.99 0.00 -0.81 0.00 0.00 175.30 175.72 1gkg h ASN 1055N 1.79 -0.38 -5.26 0.00 -1.24 -1.46 -3.45 115.58 105.58 1gkg h ASN 1055Ca -0.49 0.06 -0.35 0.00 0.71 0.00 0.00 56.30 56.23 1gkg h ASN 1055Cb 1.20 0.17 -0.07 0.00 0.73 0.00 0.00 38.32 40.34 1gkg h ASN 1055CO 0.60 -0.18 -0.52 0.18 -1.29 0.00 0.00 177.43 176.23 1gkg n LEU 1056N -5.26 -1.47 0.00 0.34 4.77 -1.22 -4.46 117.00 109.70 1gkg n LEU 1056Ca -0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1gkg n LEU 1056Cb 0.18 -2.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 1gkg n LEU 1056CO 0.26 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1gkg n GLY 1057N -1.11 1.24 0.17 -0.72 0.00 -1.26 -1.47 105.19 102.03 1gkg n GLY 1057Ca -0.03 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 1gkg n GLY 1057CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gkg h SER 1058N 0.00 -0.28 0.00 1.61 4.64 -1.99 -3.47 113.55 114.06 1gkg h SER 1058Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1gkg h SER 1058Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1gkg h SER 1058CO 0.00 0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.63 1gkg n ARG 1059N -5.06 0.00 -2.68 4.77 5.12 -0.54 -5.03 116.66 113.23 1gkg n ARG 1059Ca -0.09 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.77 1gkg n ARG 1059Cb 0.26 -0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.62 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 -1.43 0.42 1.96 -0.13 0.00 -1.15 -4.67 105.19 100.19 1gkg n GLY 1060Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.51 1.51 -4.00 1.61 0.00 -1.23 -4.70 116.66 109.34 1gkg n ARG 1061Ca -0.13 -0.66 -0.40 0.00 -0.00 0.00 0.00 57.85 56.67 1gkg n ARG 1061Cb 0.76 -1.73 0.01 0.00 0.00 0.00 0.00 32.46 31.51 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 2.34 -0.48 -3.32 -0.14 4.81 -1.26 -4.91 118.16 115.21 1gkg n LYS 1062Ca 0.28 0.14 -0.18 0.00 -0.87 0.00 0.00 58.31 57.68 1gkg n LYS 1062Cb 0.70 -2.14 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 1gkg n LYS 1062CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1gkg s VAL 1063N -3.50 -0.25 0.00 3.15 0.11 -1.26 -5.09 120.40 113.57 1gkg s VAL 1063Ca 0.37 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1gkg s VAL 1063Cb -0.21 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1gkg s VAL 1063CO 0.89 -0.67 0.00 0.49 -3.33 0.00 0.00 175.10 172.48 1gkg n PHE 1064N 3.84 0.00 -3.79 1.54 3.01 -1.26 -3.41 117.46 117.40 1gkg n PHE 1064Ca 0.15 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.49 1gkg n PHE 1064Cb 0.46 -0.57 -0.10 0.00 -0.01 0.00 0.00 39.48 39.26 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 -5.51 0.49 0.37 -1.08 2.02 -1.26 -4.71 118.70 109.02 1gkg s GLU 1065Ca 0.00 0.03 -0.27 0.00 0.02 0.00 0.00 54.97 54.75 1gkg s GLU 1065Cb 0.00 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.36 1gkg s GLU 1065CO 0.00 -0.11 1.24 -1.17 0.02 0.00 0.00 175.26 175.24 1gkg s LEU 1066N -0.69 4.30 -0.18 1.80 0.20 -1.26 -0.71 118.68 122.13 1gkg s LEU 1066Ca -0.08 2.52 -0.02 0.00 0.69 0.00 0.00 54.13 57.24 1gkg s LEU 1066Cb -0.04 -3.84 0.06 0.00 -0.43 0.00 0.00 46.19 41.93 1gkg s LEU 1066CO 0.02 -0.63 0.02 -0.69 -0.29 0.00 0.00 176.35 174.78 1gkg s VAL 1067N -1.27 0.64 0.07 1.68 1.01 0.16 -4.91 120.40 117.79 1gkg s VAL 1067Ca 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1gkg s VAL 1067Cb -0.35 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1gkg s VAL 1067CO 0.46 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1gkg n GLY 1068N 5.01 -3.48 2.28 4.51 0.00 -1.26 -2.19 105.19 110.06 1gkg n GLY 1068Ca -0.09 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 1gkg n GLY 1068CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gkg n GLU 1069N -0.55 -1.74 0.03 1.61 4.07 -1.26 -2.77 120.64 120.03 1gkg n GLU 1069Ca 0.00 1.31 -0.04 0.00 -0.06 0.00 0.00 57.16 58.36 1gkg n GLU 1069Cb 0.00 -1.86 -0.10 0.00 -0.06 0.00 0.00 31.44 29.42 1gkg n GLU 1069CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1gkg h PRO 1070N 4.24 0.00 -2.67 5.31 0.13 -1.94 -3.32 132.00 133.76 1gkg h PRO 1070Ca -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 1gkg h PRO 1070Cb 0.08 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.95 1gkg h PRO 1070CO 0.00 0.52 -0.31 -1.54 -0.23 0.00 0.00 178.00 176.44 1gkg s SER 1071N -6.15 -0.50 0.51 1.44 1.04 -1.26 0.25 113.70 109.03 1gkg s SER 1071Ca -0.02 0.87 0.07 0.00 0.48 0.00 0.00 55.95 57.35 1gkg s SER 1071Cb 0.09 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.98 1gkg s SER 1071CO 0.81 -0.19 0.48 0.27 0.98 0.00 0.00 173.24 175.59 1gkg s ILE 1072N 1.40 2.07 -0.17 -1.02 -4.36 -0.87 -4.94 121.20 113.31 1gkg s ILE 1072Ca -0.10 -1.34 -0.28 0.00 -0.26 0.00 0.00 60.65 58.67 1gkg s ILE 1072Cb -0.09 -2.42 0.07 0.00 1.25 0.00 0.00 42.46 41.28 1gkg s ILE 1072CO -0.13 0.00 0.71 -0.72 0.24 0.00 0.00 174.94 175.04 1gkg s TYR 1073N -2.66 -0.73 0.04 1.37 -0.85 -1.26 -1.44 117.35 111.83 1gkg s TYR 1073Ca 0.44 1.55 -0.30 0.00 -0.52 0.00 0.00 57.07 58.24 1gkg s TYR 1073Cb -0.03 0.34 -0.07 0.00 0.38 0.00 0.00 41.96 42.57 1gkg s TYR 1073CO 0.27 -0.48 1.54 0.00 -1.52 0.00 0.00 175.55 175.35 1gkg n THR 1075N 4.67 1.71 0.00 0.00 5.66 -1.25 -4.63 114.28 120.44 1gkg n THR 1075Ca 0.15 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1gkg n THR 1075Cb 0.42 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 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 -3.54 0.00 -3.62 1.09 3.41 -1.23 -5.05 113.62 104.68 1gkg n SER 1076Ca -0.35 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.18 1gkg n SER 1076Cb 1.01 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.89 1gkg n SER 1076CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1gkg s ASN 1077N 2.00 -0.33 0.14 4.04 3.04 -1.26 -3.74 114.94 118.84 1gkg s ASN 1077Ca 0.00 0.54 -0.18 0.00 0.04 0.00 0.00 52.86 53.26 1gkg s ASN 1077Cb 0.00 0.52 0.00 0.00 -1.54 0.00 0.00 41.25 40.24 1gkg s ASN 1077CO 0.00 -0.17 1.75 -0.78 -3.04 0.00 0.00 177.10 174.86 1gkg h ASP 1078N 3.42 0.08 0.00 -4.21 3.58 -1.86 -3.45 116.42 113.97 1gkg h ASP 1078Ca -0.24 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1gkg h ASP 1078Cb 1.18 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1gkg h ASP 1078CO 0.18 0.08 0.00 0.47 -2.88 0.00 0.00 179.24 177.09 1gkg n ASP 1079N -5.05 -1.37 0.00 2.28 9.92 -1.26 -5.03 116.55 116.05 1gkg n ASP 1079Ca -0.01 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1gkg n ASP 1079Cb 0.10 1.45 0.00 0.00 -0.64 0.00 0.00 41.12 42.03 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gkg n GLN 1080N -3.06 1.23 0.00 -1.24 1.13 -1.26 -5.04 117.38 109.14 1gkg n GLN 1080Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1gkg n GLN 1080Cb 0.00 -0.29 0.00 0.00 0.11 0.00 0.00 30.24 30.06 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1gkg n VAL 1081N -0.33 0.00 -3.64 5.09 0.31 -1.26 -4.60 118.33 113.90 1gkg n VAL 1081Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1gkg n VAL 1081Cb 0.00 -0.26 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 1gkg n VAL 1081CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1gkg s GLY 1082N 0.00 -0.25 -0.09 2.92 0.00 -1.08 -3.59 107.32 105.22 1gkg s GLY 1082Ca 0.00 2.64 -0.06 0.00 0.00 0.00 0.00 44.72 47.31 1gkg s GLY 1082CO 0.00 2.09 0.22 -1.50 0.00 0.00 0.00 173.10 173.91 1gkg s ILE 1083N 0.73 -0.03 0.00 0.90 1.10 -1.25 -4.73 121.20 117.93 1gkg s ILE 1083Ca -0.02 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.23 1gkg s ILE 1083Cb -0.05 -0.34 0.00 0.00 0.15 0.00 0.00 42.46 42.23 1gkg s ILE 1083CO -0.09 0.04 0.00 0.79 -2.11 0.00 0.00 174.94 173.57 1gkg n TRP 1084N 3.86 0.00 -0.05 3.50 7.02 -1.26 -3.55 117.44 126.95 1gkg n TRP 1084Ca -0.22 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.23 1gkg n TRP 1084Cb 0.54 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.40 1gkg n TRP 1084CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1gkg h SER 1085N 0.00 -0.01 0.00 -0.99 0.02 -1.83 -3.39 113.55 107.35 1gkg h SER 1085Ca 0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1gkg h SER 1085Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gkg h SER 1085CO 0.00 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 1gkg n GLY 1086N 1.70 1.21 1.95 -3.77 0.00 -1.26 -5.03 105.19 99.98 1gkg n GLY 1086Ca -0.03 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.03 1.87 -0.11 1.61 -0.04 -1.26 -4.53 135.00 132.51 1gkg n PRO 1087Ca 0.00 -0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 62.45 1gkg n PRO 1087Cb 0.00 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.83 0.50 -1.61 0.55 0.00 -1.91 -3.45 119.26 116.17 1gkg h ALA 1088Ca 0.17 -0.44 -0.72 0.00 0.00 0.00 0.00 54.91 53.92 1gkg h ALA 1088Cb 1.44 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1gkg h ALA 1088CO 0.21 0.59 0.92 -2.30 0.00 0.00 0.00 179.25 178.66 1gkg n PRO 1089N -4.13 1.29 -3.78 0.00 -0.02 -1.11 -4.74 135.00 122.50 1gkg n PRO 1089Ca -0.03 0.47 -0.25 0.00 -2.02 0.00 0.00 63.50 61.67 1gkg n PRO 1089Cb 0.53 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.66 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1gkg s GLN 1090N 3.53 0.79 -0.31 -0.52 2.00 -0.93 -4.93 119.66 119.29 1gkg s GLN 1090Ca 0.97 -0.15 -0.23 0.00 -2.00 0.00 0.00 55.36 53.95 1gkg s GLN 1090Cb -1.02 -1.49 -0.00 0.00 0.80 0.00 0.00 33.01 31.30 1gkg s GLN 1090CO 0.63 -0.42 0.76 0.00 -0.50 0.00 0.00 175.29 175.77