#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 -1.69 -3.66 0.62 0.00 -1.26 -2.02 120.51 112.50 1gkg n ALA 958 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1gkg n ALA 958 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 19.45 16.07 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gkg n GLU 959 N -4.50 -5.75 -0.02 0.00 2.13 -1.26 -4.91 120.64 106.33 1gkg n GLU 959 Ca -0.15 0.69 -0.13 0.00 0.66 0.00 0.00 57.16 58.24 1gkg n GLU 959 Cb 0.61 -5.47 -0.08 0.00 0.27 0.00 0.00 31.44 26.77 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gkg h ALA 960 N 0.91 0.08 -3.45 4.31 0.00 -1.89 -3.50 119.26 115.72 1gkg h ALA 960 Ca -0.60 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1gkg h ALA 960 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1gkg h ALA 960 CO 0.57 -0.19 -0.84 1.63 0.00 0.00 0.00 179.25 180.42 1gkg n LYS 961 N -4.81 -4.28 -3.65 0.00 4.76 -1.26 -4.85 118.16 104.07 1gkg n LYS 961 Ca -0.07 3.17 -0.14 0.00 -2.87 0.00 0.00 58.31 58.40 1gkg n LYS 961 Cb 0.24 -3.55 -0.08 0.00 -1.84 0.00 0.00 35.03 29.80 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1gkg s SER 962 N -3.03 -0.67 0.10 4.39 1.04 -1.26 -4.44 113.70 109.83 1gkg s SER 962 Ca 0.00 1.27 -0.30 0.00 0.48 0.00 0.00 55.95 57.40 1gkg s SER 962 Cb 0.00 1.28 -0.05 0.00 0.10 0.00 0.00 66.02 67.34 1gkg s SER 962 CO 0.00 -0.24 0.97 0.00 0.98 0.00 0.00 173.24 174.95 1gkg s LYS 964 N 0.12 4.01 -0.17 0.00 2.47 -1.26 -4.65 119.74 120.26 1gkg s LYS 964 Ca 0.48 2.23 -0.38 0.00 -1.56 0.00 0.00 55.97 56.74 1gkg s LYS 964 Cb -0.23 -2.81 -0.14 0.00 -1.46 0.00 0.00 37.83 33.18 1gkg s LYS 964 CO 0.30 -0.48 1.76 2.41 0.16 0.00 0.00 175.35 179.50 1gkg n THR 965 N 0.23 0.38 -1.68 3.43 -1.04 -1.26 -4.84 114.28 109.49 1gkg n THR 965 Ca 0.03 -0.07 -0.45 0.00 -2.04 0.00 0.00 64.05 61.52 1gkg n THR 965 Cb 0.43 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 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 5.59 2.18 -2.06 -2.82 -0.02 -1.26 -4.93 135.00 131.68 1gkg n PRO 966 Ca 0.24 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 62.10 1gkg n PRO 966 Cb 0.20 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 1gkg n PRO 966 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 967 N 0.28 4.23 -0.29 0.52 0.04 -1.26 -4.87 135.00 133.64 1gkg s PRO 967 Ca 0.73 2.25 -0.39 0.00 0.04 0.00 0.00 61.00 63.63 1gkg s PRO 967 Cb -0.64 -2.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.77 1gkg s PRO 967 CO 0.43 -0.31 1.86 -0.25 0.04 0.00 0.00 177.00 178.77 1gkg n ASP 968 N 0.59 2.33 -4.71 6.66 9.92 -1.26 -4.82 116.55 125.26 1gkg n ASP 968 Ca 0.01 0.93 -0.37 0.00 -0.53 0.00 0.00 54.79 54.82 1gkg n ASP 968 Cb 0.42 -1.16 0.06 0.00 -0.64 0.00 0.00 41.12 39.80 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1gkg n PRO 969 N 6.12 1.18 -1.41 -0.24 -0.04 -1.26 -4.75 135.00 134.60 1gkg n PRO 969 Ca 0.31 0.45 -0.49 0.00 -0.04 0.00 0.00 63.50 63.73 1gkg n PRO 969 Cb 0.15 -2.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.02 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 -1.71 0.02 0.00 0.52 0.31 -1.26 -1.38 118.33 114.83 1gkg n VAL 970 Ca 0.14 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1gkg n VAL 970 Cb 0.47 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 9.74 0.00 -3.54 4.52 3.02 -1.26 -3.92 115.26 123.81 1gkg n ASN 971 Ca 0.57 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1gkg n ASN 971 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 972 N 0.00 -1.88 3.60 7.41 0.00 -0.48 -4.56 105.19 109.29 1gkg n GLY 972 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1gkg n GLY 972 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gkg s MET 973 N 0.00 0.79 0.21 1.61 0.23 -0.98 -4.25 119.30 116.92 1gkg s MET 973 Ca 0.00 0.99 -0.17 0.00 -1.03 0.00 0.00 55.69 55.48 1gkg s MET 973 Cb 0.00 0.36 -0.08 0.00 -1.53 0.00 0.00 34.83 33.59 1gkg s MET 973 CO 0.00 -0.10 0.66 0.54 -2.03 0.00 0.00 175.02 174.09 1gkg s VAL 974 N 0.50 4.69 -0.29 5.16 0.11 -1.26 -2.56 120.40 126.74 1gkg s VAL 974 Ca -0.01 1.07 0.03 0.00 -2.93 0.00 0.00 61.98 60.13 1gkg s VAL 974 Cb -0.05 -3.78 0.07 0.00 -1.53 0.00 0.00 36.38 31.09 1gkg s VAL 974 CO -0.01 0.16 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.88 1gkg s HIS 975 N -1.57 3.42 -0.77 1.54 3.76 0.19 -4.95 115.29 116.91 1gkg s HIS 975 Ca 0.43 -2.47 -0.25 0.00 -0.15 0.00 0.00 55.06 52.61 1gkg s HIS 975 Cb -0.15 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1gkg s HIS 975 CO 0.20 -0.89 1.91 0.08 -0.85 0.00 0.00 174.74 175.19 1gkg s VAL 976 N 1.06 3.40 0.00 -0.90 1.01 -1.26 -2.55 120.40 121.16 1gkg s VAL 976 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1gkg s VAL 976 Cb -0.20 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1gkg s VAL 976 CO -0.05 -0.93 0.00 -0.38 0.00 0.00 0.00 175.10 173.74 1gkg n ILE 977 N 7.59 0.00 0.07 2.22 5.41 -1.26 -4.74 119.36 128.66 1gkg n ILE 977 Ca 0.32 0.11 -0.03 0.00 1.00 0.00 0.00 62.75 64.15 1gkg n ILE 977 Cb 0.49 -0.35 -0.01 0.00 -0.71 0.00 0.00 39.64 39.06 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 -1.81 -3.50 112.91 110.34 1gkg h THR 978 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 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 -0.67 -0.25 0.00 0.00 175.52 174.60 1gkg n ASP 979 N -2.49 2.80 -2.74 5.36 2.03 -1.26 -5.03 116.55 115.21 1gkg n ASP 979 Ca -0.02 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.20 1gkg n ASP 979 Cb 0.07 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.56 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gkg n ILE 980 N 0.00 0.12 -3.67 5.18 -5.35 -1.26 -4.82 119.36 109.56 1gkg n ILE 980 Ca 0.00 -1.94 -0.11 0.00 -0.27 0.00 0.00 62.75 60.43 1gkg n ILE 980 Cb 0.00 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 1gkg n ILE 980 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1gkg s GLN 981 N -0.43 0.98 -0.14 6.28 0.74 -1.26 -0.57 119.66 125.27 1gkg s GLN 981 Ca 0.24 -0.61 -0.18 0.00 0.05 0.00 0.00 55.36 54.85 1gkg s GLN 981 Cb 0.37 0.43 -0.08 0.00 1.10 0.00 0.00 33.01 34.83 1gkg s GLN 981 CO -0.06 -0.36 0.59 0.28 -0.55 0.00 0.00 175.29 175.18 1gkg n VAL 982 N 0.07 0.00 -1.97 1.34 0.31 -1.22 -2.76 118.33 114.09 1gkg n VAL 982 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.13 1gkg n VAL 982 Cb 0.62 -0.14 0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 1.30 0.01 3.51 2.92 0.00 -0.83 -5.00 105.19 107.10 1gkg n GLY 983 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.81 -0.81 0.06 1.61 1.04 -1.11 -4.94 113.70 106.74 1gkg s SER 984 Ca 0.08 1.32 0.01 0.00 0.48 0.00 0.00 55.95 57.84 1gkg s SER 984 Cb -0.01 1.39 -0.04 0.00 0.10 0.00 0.00 66.02 67.46 1gkg s SER 984 CO 0.21 -0.22 0.17 -0.13 0.98 0.00 0.00 173.24 174.25 1gkg s ARG 985 N 1.90 3.29 0.19 4.02 0.52 -1.26 -1.87 118.95 125.74 1gkg s ARG 985 Ca -0.08 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1gkg s ARG 985 Cb -0.08 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1gkg s ARG 985 CO -0.17 0.60 0.19 0.96 0.02 0.00 0.00 175.30 176.91 1gkg s ILE 986 N -1.46 0.02 -0.02 1.52 -4.36 -0.49 -2.45 121.20 113.96 1gkg s ILE 986 Ca 0.33 -1.83 -0.09 0.00 -0.26 0.00 0.00 60.65 58.80 1gkg s ILE 986 Cb -0.13 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.28 1gkg s ILE 986 CO 0.25 -0.10 0.20 0.42 0.24 0.00 0.00 174.94 175.95 1gkg s THR 987 N -4.10 0.06 0.08 8.37 -4.23 -1.06 -1.93 115.64 112.82 1gkg s THR 987 Ca 0.32 -0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 1gkg s THR 987 Cb 0.05 -0.44 -0.01 0.00 1.34 0.00 0.00 72.50 73.45 1gkg s THR 987 CO 0.09 -0.26 0.16 -0.72 -0.54 0.00 0.00 174.62 173.35 1gkg s TYR 988 N -0.99 0.19 -0.15 3.99 -0.85 -0.90 0.57 117.35 119.22 1gkg s TYR 988 Ca -0.11 -0.61 -0.21 0.00 -0.52 0.00 0.00 57.07 55.62 1gkg s TYR 988 Cb -0.06 -0.10 0.05 0.00 0.38 0.00 0.00 41.96 42.23 1gkg s TYR 988 CO 0.02 -0.50 0.54 -1.54 -1.52 0.00 0.00 175.55 172.54 1gkg s SER 989 N -2.76 -0.53 0.96 -0.18 1.04 -1.06 -4.57 113.70 106.59 1gkg s SER 989 Ca 0.04 0.87 -0.14 0.00 0.48 0.00 0.00 55.95 57.20 1gkg s SER 989 Cb 0.04 0.88 0.21 0.00 0.10 0.00 0.00 66.02 67.25 1gkg s SER 989 CO -0.10 -0.31 1.25 0.00 0.98 0.00 0.00 173.24 175.06 1gkg s THR 991 N -3.71 2.03 0.33 0.00 -4.23 -1.26 -4.85 115.64 103.95 1gkg s THR 991 Ca 0.72 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.96 1gkg s THR 991 Cb -0.02 -2.51 -0.13 0.00 1.34 0.00 0.00 72.50 71.18 1gkg s THR 991 CO 0.50 -0.01 1.26 0.41 -0.54 0.00 0.00 174.62 176.24 1gkg n THR 992 N -3.09 1.92 0.00 3.99 -1.04 -1.26 -1.89 114.28 112.90 1gkg n THR 992 Ca 0.14 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1gkg n THR 992 Cb 0.50 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 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 0.94 2.27 3.82 3.41 0.00 -1.26 -4.98 105.19 109.39 1gkg n GLY 993 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.37 3.42 0.22 1.61 4.02 -0.79 -4.88 115.29 118.51 1gkg s HIS 994 Ca 0.00 1.49 -0.03 0.00 1.02 0.00 0.00 55.06 57.53 1gkg s HIS 994 Cb 0.00 -2.74 0.05 0.00 -1.02 0.00 0.00 32.58 28.87 1gkg s HIS 994 CO 0.00 0.04 0.29 -2.13 1.02 0.00 0.00 174.74 173.97 1gkg n ARG 995 N -0.25 -0.18 -3.63 1.40 0.63 0.11 -4.70 116.66 110.04 1gkg n ARG 995 Ca 0.04 -0.50 -0.05 0.00 -0.92 0.00 0.00 57.85 56.42 1gkg n ARG 995 Cb 0.53 -0.29 -0.06 0.00 0.45 0.00 0.00 32.46 33.09 1gkg n ARG 995 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1gkg s LEU 996 N 0.00 -0.90 0.20 6.15 0.20 -1.26 -2.62 118.68 120.44 1gkg s LEU 996 Ca 0.17 1.40 -0.19 0.00 0.69 0.00 0.00 54.13 56.20 1gkg s LEU 996 Cb -0.01 2.25 -0.08 0.00 -0.43 0.00 0.00 46.19 47.93 1gkg s LEU 996 CO 0.12 -0.22 0.69 -0.63 -0.29 0.00 0.00 176.35 176.02 1gkg s ILE 997 N 1.82 4.62 0.00 6.68 1.09 -0.76 -4.91 121.20 129.75 1gkg s ILE 997 Ca -0.09 1.22 0.00 0.00 -1.10 0.00 0.00 60.65 60.68 1gkg s ILE 997 Cb -0.06 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 1gkg s ILE 997 CO -0.19 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1gkg n GLY 998 N 0.83 -1.74 3.75 6.18 0.00 -1.26 -2.51 105.19 110.44 1gkg n GLY 998 Ca -0.03 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N -2.48 3.36 0.00 1.61 3.76 -1.26 -4.87 115.29 115.41 1gkg s HIS 999 Ca 0.00 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 1gkg s HIS 999 Cb 0.00 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 30.21 1gkg s HIS 999 CO 0.00 -1.31 1.18 -1.13 -0.85 0.00 0.00 174.74 172.63 1gkg n SER 1000N 1.90 3.17 -3.71 1.40 3.41 -1.26 -4.69 113.62 113.84 1gkg n SER 1000Ca 0.03 -1.82 -0.07 0.00 -0.26 0.00 0.00 58.87 56.74 1gkg n SER 1000Cb 0.44 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.95 -0.22 -0.28 4.04 0.15 -1.26 -2.12 113.70 115.96 1gkg s SER 1001Ca 0.00 -0.70 -0.20 0.00 0.70 0.00 0.00 55.95 55.76 1gkg s SER 1001Cb 0.00 0.75 0.11 0.00 -1.71 0.00 0.00 66.02 65.17 1gkg s SER 1001CO 0.00 -1.40 0.88 0.00 1.20 0.00 0.00 173.24 173.92 1gkg s ALA 1002N -3.65 -2.02 -0.14 5.45 0.00 -0.81 -4.79 121.76 115.79 1gkg s ALA 1002Ca 0.12 2.15 -0.01 0.00 0.00 0.00 0.00 51.96 54.22 1gkg s ALA 1002Cb -0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1gkg s ALA 1002CO 0.08 -0.33 -0.12 -2.00 0.00 0.00 0.00 175.76 173.39 1gkg s GLU 1003N 0.99 3.37 -1.07 0.00 2.12 -1.26 -1.39 118.70 121.46 1gkg s GLU 1003Ca -0.05 -0.68 -0.23 0.00 0.36 0.00 0.00 54.97 54.37 1gkg s GLU 1003Cb -0.05 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1gkg s GLU 1003CO -0.12 0.14 1.82 0.00 -0.54 0.00 0.00 175.26 176.57 1gkg s ILE 1005N 8.55 4.97 -0.15 0.00 -4.36 -0.64 -1.97 121.20 127.60 1gkg s ILE 1005Ca 0.63 0.32 -0.18 0.00 -0.26 0.00 0.00 60.65 61.16 1gkg s ILE 1005Cb -0.02 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 1gkg s ILE 1005CO 0.03 -0.14 0.46 -0.22 0.24 0.00 0.00 174.94 175.31 1gkg s LEU 1006N -3.03 4.23 -0.28 0.37 1.98 -1.26 -0.66 118.68 120.03 1gkg s LEU 1006Ca 0.46 0.73 -0.22 0.00 -2.89 0.00 0.00 54.13 52.21 1gkg s LEU 1006Cb -0.11 -2.65 0.09 0.00 0.66 0.00 0.00 46.19 44.18 1gkg s LEU 1006CO 0.24 -0.04 0.80 -0.55 -1.89 0.00 0.00 176.35 174.92 1gkg s SER 1007N 0.76 -0.71 -0.95 3.68 0.15 -0.88 -4.96 113.70 110.79 1gkg s SER 1007Ca 0.24 1.29 -0.06 0.00 0.70 0.00 0.00 55.95 58.12 1gkg s SER 1007Cb -0.15 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1gkg s SER 1007CO 0.09 -0.22 0.83 0.61 1.20 0.00 0.00 173.24 175.76 1gkg n GLY 1008N 3.06 -0.10 2.39 9.45 0.00 -1.26 -2.36 105.19 116.38 1gkg n GLY 1008Ca -0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.69 -4.83 -3.70 1.61 3.02 -1.26 -4.93 115.26 103.48 1gkg n ASN 1009Ca -0.00 0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 54.82 1gkg n ASN 1009Cb 0.54 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.33 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 -2.59 -0.01 0.14 3.41 2.01 -0.99 -5.08 115.64 112.52 1gkg s THR 1010Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1gkg s THR 1010Cb 0.00 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 1gkg s THR 1010CO 0.00 0.02 1.12 0.00 -0.69 0.00 0.00 174.62 175.07 1gkg s ALA 1011N 1.00 3.37 -0.02 7.40 0.00 -1.26 -2.08 121.76 130.17 1gkg s ALA 1011Ca -0.06 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1gkg s ALA 1011Cb -0.06 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.72 1gkg s ALA 1011CO -0.08 -0.27 0.46 -3.38 0.00 0.00 0.00 175.76 172.48 1gkg s HIS 1012N 0.14 -0.36 -0.06 0.00 -3.43 0.16 -4.31 115.29 107.44 1gkg s HIS 1012Ca 0.52 0.55 -0.30 0.00 -0.80 0.00 0.00 55.06 55.03 1gkg s HIS 1012Cb -0.29 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.04 1gkg s HIS 1012CO 0.33 -0.50 1.59 -1.58 -2.00 0.00 0.00 174.74 172.58 1gkg s TRP 1013N -1.49 2.17 0.63 0.38 0.52 -1.26 -1.63 118.94 118.26 1gkg s TRP 1013Ca -0.11 0.34 0.28 0.00 0.02 0.00 0.00 56.10 56.63 1gkg s TRP 1013Cb -0.03 -3.85 1.50 0.00 -1.15 0.00 0.00 33.47 29.94 1gkg s TRP 1013CO 0.05 -3.49 1.87 1.03 0.02 0.00 0.00 176.95 176.43 1gkg h SER 1014N 9.19 0.00 -3.36 2.95 0.87 -1.69 -3.40 113.55 118.11 1gkg h SER 1014Ca -0.38 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.62 1gkg h SER 1014Cb 1.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 1gkg h SER 1014CO 0.95 0.00 0.07 0.42 -0.53 0.00 0.00 176.83 177.74 1gkg s THR 1015N -4.32 4.94 0.74 2.23 -4.23 -1.26 -5.04 115.64 108.70 1gkg s THR 1015Ca -0.04 1.41 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 1gkg s THR 1015Cb 0.11 -4.02 0.05 0.00 1.34 0.00 0.00 72.50 69.98 1gkg s THR 1015CO 0.38 0.33 1.14 -1.59 -0.54 0.00 0.00 174.62 174.34 1gkg s LYS 1016N 0.32 2.22 -0.33 3.99 -2.85 -1.26 -4.86 119.74 116.97 1gkg s LYS 1016Ca 0.35 1.49 -0.41 0.00 -1.00 0.00 0.00 55.97 56.41 1gkg s LYS 1016Cb -0.18 -1.87 -0.16 0.00 -2.06 0.00 0.00 37.83 33.56 1gkg s LYS 1016CO 0.19 -1.72 1.80 -2.30 0.10 0.00 0.00 175.35 173.42 1gkg n PRO 1017N -3.00 0.93 -2.35 1.78 -0.02 -1.26 -4.87 135.00 126.22 1gkg n PRO 1017Ca 0.11 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.64 1gkg n PRO 1017Cb 0.52 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.95 3.50 0.00 0.52 0.04 -1.26 -4.87 135.00 136.88 1gkg s PRO 1018Ca 1.02 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1gkg s PRO 1018Cb -1.13 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1gkg s PRO 1018CO 0.66 -0.38 0.00 0.44 0.04 0.00 0.00 177.00 177.76 1gkg n ILE 1019N -2.46 0.00 -4.15 0.56 -5.35 -1.04 -4.17 119.36 102.74 1gkg n ILE 1019Ca 0.03 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 1gkg n ILE 1019Cb 0.55 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.37 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 1021N -4.01 0.47 0.47 0.00 2.00 -1.08 -4.76 119.66 112.76 1gkg s GLN 1021Ca 0.35 0.88 0.32 0.00 -2.00 0.00 0.00 55.36 54.90 1gkg s GLN 1021Cb 0.04 0.03 1.57 0.00 0.80 0.00 0.00 33.01 35.45 1gkg s GLN 1021CO 0.13 -0.15 1.96 -0.09 -0.50 0.00 0.00 175.29 176.64 1gkg h ARG 1022N 6.97 0.00 -4.70 1.67 2.43 -1.92 0.32 114.38 119.15 1gkg h ARG 1022Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1gkg h ARG 1022Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1gkg h ARG 1022CO 0.26 0.00 -0.76 -0.89 -1.51 0.00 0.00 179.97 177.07 1gkg n ILE 1023N -2.70 -9.94 -1.69 1.20 5.41 -1.26 -4.63 119.36 105.76 1gkg n ILE 1023Ca -0.01 1.42 -0.44 0.00 1.00 0.00 0.00 62.75 64.72 1gkg n ILE 1023Cb 0.15 -6.36 -0.04 0.00 -0.71 0.00 0.00 39.64 32.68 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1gkg n PRO 1024N 0.50 2.50 0.00 0.38 -0.02 -1.17 -4.43 135.00 132.76 1gkg n PRO 1024Ca 0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1gkg n PRO 1024Cb 0.02 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 30.75 1gkg n PRO 1024CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s GLY 1026N 0.00 -0.49 0.20 0.00 0.00 -1.25 -4.87 107.32 100.90 1gkg s GLY 1026Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 1gkg s GLY 1026CO 0.00 0.58 0.60 1.04 0.00 0.00 0.00 173.10 175.32 1gkg n LEU 1027N 0.20 -0.90 -4.77 0.66 4.32 -1.26 -4.90 117.00 110.34 1gkg n LEU 1027Ca -0.14 1.14 -0.37 0.00 -0.02 0.00 0.00 56.01 56.62 1gkg n LEU 1027Cb 0.61 -0.98 -0.02 0.00 -1.62 0.00 0.00 43.42 41.40 1gkg n LEU 1027CO 0.15 -2.78 0.80 -2.16 -1.22 0.00 0.00 177.39 172.19 1gkg s PRO 1028N -0.99 3.99 -0.05 3.23 0.04 -1.26 -4.94 135.00 135.02 1gkg s PRO 1028Ca 0.65 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1gkg s PRO 1028Cb -0.93 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 1gkg s PRO 1028CO 0.56 -0.34 1.98 -1.25 0.04 0.00 0.00 177.00 177.99 1gkg s PRO 1029N -2.48 3.87 -0.21 0.56 0.04 -1.26 -4.94 135.00 130.57 1gkg s PRO 1029Ca 0.59 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.73 1gkg s PRO 1029Cb -0.27 -4.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.07 1gkg s PRO 1029CO 0.34 -1.26 0.93 0.99 0.04 0.00 0.00 177.00 178.04 1gkg s THR 1030N 5.43 4.78 0.04 1.26 2.01 -1.26 -4.87 115.64 123.02 1gkg s THR 1030Ca 0.89 1.80 -0.23 0.00 0.31 0.00 0.00 61.69 64.46 1gkg s THR 1030Cb -0.38 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 67.86 1gkg s THR 1030CO 0.38 -0.09 0.68 0.27 -0.69 0.00 0.00 174.62 175.17 1gkg s ILE 1031N 2.80 4.77 0.28 1.82 -4.36 -1.26 -5.01 121.20 120.24 1gkg s ILE 1031Ca 0.40 1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 61.95 1gkg s ILE 1031Cb -0.16 -4.03 -0.14 0.00 1.25 0.00 0.00 42.46 39.39 1gkg s ILE 1031CO 0.08 0.41 1.15 0.00 0.24 0.00 0.00 174.94 176.82 1gkg n ALA 1032N 2.60 0.25 0.00 2.27 0.00 -1.26 -1.58 120.51 122.79 1gkg n ALA 1032Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1gkg n ALA 1032Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1gkg n ALA 1032CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkg n ASN 1033N 1.34 0.00 -4.64 0.00 3.02 -1.26 -4.86 115.26 108.85 1gkg n ASN 1033Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 1gkg n ASN 1033Cb 0.32 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 1034N 0.00 1.55 0.00 7.41 0.00 -0.61 -1.77 107.32 113.89 1gkg s GLY 1034Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1gkg s GLY 1034CO 0.00 2.32 0.00 1.22 0.00 0.00 0.00 173.10 176.64 1gkg n ASP 1035N 6.92 0.00 -3.67 1.64 8.00 0.77 -4.11 116.55 126.09 1gkg n ASP 1035Ca 0.12 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1gkg n ASP 1035Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 1gkg n ASP 1035CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gkg s PHE 1036N 0.00 -0.69 0.00 1.24 5.36 -1.26 -3.92 117.98 118.70 1gkg s PHE 1036Ca 0.00 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1gkg s PHE 1036Cb 0.00 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 1gkg s PHE 1036CO 0.00 -0.34 0.00 0.44 -1.46 0.00 0.00 175.22 173.86 1gkg n ILE 1037N 3.20 0.00 -1.22 3.12 -5.35 -1.01 -4.96 119.36 113.14 1gkg n ILE 1037Ca -0.16 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.46 1gkg n ILE 1037Cb 0.56 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.39 1gkg n ILE 1037CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1gkg n SER 1038N -0.20 -6.63 -4.68 7.28 7.64 -1.26 -3.76 113.62 112.00 1gkg n SER 1038Ca 0.00 1.26 -0.45 0.00 1.01 0.00 0.00 58.87 60.69 1gkg n SER 1038Cb 0.00 -4.19 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 1gkg n SER 1038CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gkg n THR 1039N -3.88 0.11 0.00 0.44 -1.04 -1.26 -4.79 114.28 103.85 1gkg n THR 1039Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1gkg n THR 1039Cb 0.57 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1gkg n THR 1039CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1gkg n ASN 1040N 3.39 0.00 0.00 8.00 2.85 -1.26 -4.29 115.26 123.96 1gkg n ASN 1040Ca 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1gkg n ASN 1040Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 0.00 0.00 0.00 1.20 5.12 -1.26 -4.67 116.66 117.05 1gkg n ARG 1041Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gkg n ARG 1041Cb 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1gkg n ARG 1041CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1gkg n GLU 1042N 0.00 0.00 -3.62 5.56 0.28 -1.26 -4.99 120.64 116.61 1gkg n GLU 1042Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1gkg n GLU 1042Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1gkg n ASN 1043N 0.00 -0.64 -1.72 -1.84 5.03 -1.26 -4.70 115.26 110.13 1gkg n ASN 1043Ca 0.00 -0.85 -0.04 0.00 0.87 0.00 0.00 54.58 54.56 1gkg n ASN 1043Cb 0.00 -1.08 -0.05 0.00 -1.02 0.00 0.00 39.78 37.63 1gkg n ASN 1043CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1gkg n PHE 1044N -3.08 0.00 -0.02 3.10 1.16 -1.26 -4.54 117.46 112.82 1gkg n PHE 1044Ca -0.02 -1.04 -0.09 0.00 -1.87 0.00 0.00 57.45 54.43 1gkg n PHE 1044Cb 0.36 -0.80 -0.02 0.00 -1.61 0.00 0.00 39.48 37.40 1gkg n PHE 1044CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1gkg h HIS 1045N 1.98 -0.50 0.00 2.97 3.86 -1.89 0.53 115.15 122.09 1gkg h HIS 1045Ca 0.06 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1gkg h HIS 1045Cb 1.05 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1gkg h HIS 1045CO 0.74 -0.27 0.00 0.98 0.86 0.00 0.00 177.93 180.24 1gkg n TYR 1046N -5.34 0.00 0.00 2.45 9.36 -1.26 -1.82 117.16 120.56 1gkg n TYR 1046Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1gkg n TYR 1046Cb 0.25 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 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 -0.41 2.58 3.52 2.98 0.00 -1.26 -4.96 105.19 107.65 1gkg n GLY 1047Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.09 0.23 -4.08 1.61 7.64 -1.26 -4.76 113.62 113.09 1gkg n SER 1048Ca 0.00 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.85 1gkg n SER 1048Cb 0.00 -1.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.90 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 -1.20 0.41 -0.12 0.44 0.11 -1.26 -2.41 120.40 116.37 1gkg s VAL 1049Ca 0.61 -1.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.08 1gkg s VAL 1049Cb -0.69 -1.08 0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1gkg s VAL 1049CO 0.58 -0.71 0.33 0.54 -3.33 0.00 0.00 175.10 172.51 1gkg s VAL 1050N -2.69 -0.00 -0.20 2.04 0.11 -0.41 -4.22 120.40 115.02 1gkg s VAL 1050Ca -0.01 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1gkg s VAL 1050Cb -0.01 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1gkg s VAL 1050CO -0.04 0.00 0.09 -0.89 -3.33 0.00 0.00 175.10 170.93 1gkg s THR 1051N 0.26 4.97 0.28 5.04 2.01 -1.25 -2.08 115.64 124.88 1gkg s THR 1051Ca -0.01 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1gkg s THR 1051Cb -0.03 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 1gkg s THR 1051CO -0.00 0.44 1.12 -0.31 -0.69 0.00 0.00 174.62 175.18 1gkg s TYR 1052N 0.49 3.52 -0.10 4.92 2.02 -0.17 -2.40 117.35 125.63 1gkg s TYR 1052Ca 0.05 1.67 -0.06 0.00 -0.37 0.00 0.00 57.07 58.35 1gkg s TYR 1052Cb -0.12 -3.33 0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1gkg s TYR 1052CO 0.00 -0.69 0.24 0.50 -1.57 0.00 0.00 175.55 174.03 1gkg s ARG 1053N -1.47 0.23 0.63 -0.62 3.52 -1.25 -4.94 118.95 115.05 1gkg s ARG 1053Ca 0.45 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 56.39 1gkg s ARG 1053Cb -0.33 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.00 1gkg s ARG 1053CO 0.42 -0.12 1.04 0.00 -0.81 0.00 0.00 175.30 175.83 1gkg h ASN 1055N -0.17 0.00 -6.73 0.00 -0.73 -1.70 -3.41 115.58 102.83 1gkg h ASN 1055Ca -0.45 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.17 1gkg h ASN 1055Cb 1.20 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.62 1gkg h ASN 1055CO 0.59 0.08 -0.86 0.18 -0.37 0.00 0.00 177.43 177.04 1gkg n LEU 1056N -3.41 -1.74 0.00 0.34 7.99 -1.26 -2.13 117.00 116.79 1gkg n LEU 1056Ca -0.01 -1.05 0.00 0.00 -0.01 0.00 0.00 56.01 54.94 1gkg n LEU 1056Cb 0.24 -2.05 0.00 0.00 -0.11 0.00 0.00 43.42 41.49 1gkg n LEU 1056CO 0.28 0.34 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 1gkg n GLY 1057N -1.65 0.97 3.47 -0.72 0.00 -1.26 -1.49 105.19 104.51 1gkg n GLY 1057Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1gkg n GLY 1057CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gkg s SER 1058N 0.00 -0.06 0.00 1.61 0.15 -0.91 -5.01 113.70 109.49 1gkg s SER 1058Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1gkg s SER 1058Cb 0.00 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1gkg s SER 1058CO 0.00 -0.01 0.00 0.54 1.20 0.00 0.00 173.24 174.97 1gkg n ARG 1059N 3.63 0.00 0.00 5.44 5.12 -1.25 -2.89 116.66 126.70 1gkg n ARG 1059Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1gkg n ARG 1059Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 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 0.00 3.73 -0.13 0.00 -1.26 -4.95 105.19 102.58 1gkg n GLY 1060Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gkg n GLY 1060CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gkg s ARG 1061N 0.00 4.27 -0.31 1.61 3.52 -0.56 -4.89 118.95 122.60 1gkg s ARG 1061Ca 0.00 2.25 -0.28 0.00 -0.13 0.00 0.00 55.73 57.57 1gkg s ARG 1061Cb 0.00 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1gkg s ARG 1061CO 0.00 -0.47 1.96 0.21 -0.81 0.00 0.00 175.30 176.18 1gkg s LYS 1062N 0.50 3.21 0.00 5.12 2.20 -1.26 -4.31 119.74 125.19 1gkg s LYS 1062Ca 0.64 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1gkg s LYS 1062Cb -0.41 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 31.64 1gkg s LYS 1062CO 0.36 -2.01 0.00 1.55 -0.36 0.00 0.00 175.35 174.89 1gkg n VAL 1063N 7.54 0.00 -2.80 4.02 3.14 -1.26 -5.06 118.33 123.91 1gkg n VAL 1063Ca 0.25 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.34 1gkg n VAL 1063Cb 0.47 -0.03 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 1gkg n VAL 1063CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1gkg s PHE 1064N -1.51 3.49 -0.12 1.45 0.40 -1.26 -4.86 117.98 115.57 1gkg s PHE 1064Ca 0.00 1.02 -0.05 0.00 -0.60 0.00 0.00 56.93 57.31 1gkg s PHE 1064Cb 0.00 -2.43 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1gkg s PHE 1064CO 0.00 -0.15 0.24 -1.21 0.70 0.00 0.00 175.22 174.81 1gkg s GLU 1065N -4.00 0.14 0.36 0.44 0.41 0.24 -4.87 118.70 111.42 1gkg s GLU 1065Ca 0.51 0.69 -0.26 0.00 -0.41 0.00 0.00 54.97 55.50 1gkg s GLU 1065Cb -0.10 -0.08 -0.09 0.00 -1.78 0.00 0.00 34.13 32.08 1gkg s GLU 1065CO 0.34 -0.27 1.14 -1.17 -0.49 0.00 0.00 175.26 174.81 1gkg s LEU 1066N 2.25 4.30 -0.01 1.80 2.96 -1.26 -1.39 118.68 127.32 1gkg s LEU 1066Ca 0.00 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.23 1gkg s LEU 1066Cb -0.12 -3.91 0.00 0.00 0.50 0.00 0.00 46.19 42.66 1gkg s LEU 1066CO -0.08 -0.50 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.75 1gkg s VAL 1067N -1.36 0.16 0.00 1.68 1.01 -0.39 -4.95 120.40 116.55 1gkg s VAL 1067Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1gkg s VAL 1067Cb -0.30 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1gkg s VAL 1067CO 0.39 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1gkg n GLY 1068N 3.23 0.03 3.60 4.51 0.00 -1.26 -2.06 105.19 113.24 1gkg n GLY 1068Ca -0.15 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1gkg n GLY 1068CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gkg s GLU 1069N 0.00 3.22 -0.14 1.61 2.12 -1.26 -4.87 118.70 119.38 1gkg s GLU 1069Ca 0.00 1.88 -0.16 0.00 0.36 0.00 0.00 54.97 57.05 1gkg s GLU 1069Cb 0.00 -4.31 -0.24 0.00 0.26 0.00 0.00 34.13 29.83 1gkg s GLU 1069CO 0.00 -1.99 0.42 -1.00 -0.54 0.00 0.00 175.26 172.15 1gkg h PRO 1070N 14.28 0.16 -6.14 4.30 0.13 -1.94 -3.30 132.00 139.50 1gkg h PRO 1070Ca -0.39 -0.28 -0.59 0.00 -0.87 0.00 0.00 66.00 63.87 1gkg h PRO 1070Cb 1.22 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1gkg h PRO 1070CO 0.98 1.13 -0.27 -1.54 -0.23 0.00 0.00 178.00 178.08 1gkg s SER 1071N -6.94 6.59 0.08 1.44 1.04 -1.26 -1.00 113.70 113.64 1gkg s SER 1071Ca -0.23 0.73 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 1gkg s SER 1071Cb 0.05 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 64.03 1gkg s SER 1071CO 0.71 0.12 0.28 -0.51 0.98 0.00 0.00 173.24 174.83 1gkg s ILE 1072N -1.50 0.10 0.30 -1.02 2.07 -0.88 -4.99 121.20 115.29 1gkg s ILE 1072Ca 0.36 -0.86 -0.20 0.00 -1.41 0.00 0.00 60.65 58.55 1gkg s ILE 1072Cb -0.13 -1.16 0.03 0.00 0.13 0.00 0.00 42.46 41.32 1gkg s ILE 1072CO 0.20 -0.47 0.73 -0.72 -1.91 0.00 0.00 174.94 172.76 1gkg s TYR 1073N -3.43 -0.10 0.16 3.50 -0.85 -1.26 -1.29 117.35 114.07 1gkg s TYR 1073Ca 0.01 -0.40 -0.14 0.00 -0.52 0.00 0.00 57.07 56.02 1gkg s TYR 1073Cb 0.02 0.72 0.04 0.00 0.38 0.00 0.00 41.96 43.13 1gkg s TYR 1073CO -0.09 -1.31 1.75 0.00 -1.52 0.00 0.00 175.55 174.38 1gkg n THR 1075N -4.62 -0.03 -1.57 0.00 5.66 -1.26 -3.42 114.28 109.04 1gkg n THR 1075Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1gkg n THR 1075Cb 0.11 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.22 -7.26 0.00 1.09 3.41 -1.26 -4.87 113.62 104.95 1gkg n SER 1076Ca -0.04 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1gkg n SER 1076Cb 0.20 -4.53 0.00 0.00 -0.26 0.00 0.00 64.21 59.62 1gkg n SER 1076CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gkg n ASN 1077N -1.13 0.00 0.00 4.04 4.05 -1.26 -4.04 115.26 116.92 1gkg n ASN 1077Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1gkg n ASN 1077Cb 0.05 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.06 1gkg n ASN 1077CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1gkg n ASP 1078N 0.00 0.00 0.02 1.20 5.68 -1.26 -4.71 116.55 117.48 1gkg n ASP 1078Ca 0.00 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1gkg n ASP 1078Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1gkg n ASP 1079N 0.00 -0.38 -2.66 -1.12 -0.08 -1.26 -5.05 116.55 105.99 1gkg n ASP 1079Ca 0.00 0.09 -0.04 0.00 -1.51 0.00 0.00 54.79 53.33 1gkg n ASP 1079Cb 0.33 0.74 0.01 0.00 2.34 0.00 0.00 41.12 44.53 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 -2.52 0.31 0.00 -0.67 0.00 -1.26 -4.84 117.38 108.39 1gkg n GLN 1080Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 57.00 56.16 1gkg n GLN 1080Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.21 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1gkg n VAL 1081N -0.45 0.00 -2.01 -0.39 0.31 -1.26 -4.90 118.33 109.63 1gkg n VAL 1081Ca -0.23 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 1gkg n VAL 1081Cb 0.68 -0.18 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 1gkg n VAL 1081CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 1082N 1.85 -0.14 3.70 2.92 0.00 -1.26 -4.31 105.19 107.95 1gkg n GLY 1082Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gkg s ILE 1083N -3.06 4.88 0.80 -0.61 -4.36 -1.24 -4.45 121.20 113.16 1gkg s ILE 1083Ca 0.07 1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 62.22 1gkg s ILE 1083Cb -0.01 -4.24 0.07 0.00 1.25 0.00 0.00 42.46 39.54 1gkg s ILE 1083CO 0.23 0.12 1.09 0.26 0.24 0.00 0.00 174.94 176.87 1gkg s TRP 1084N 1.41 2.69 0.33 1.37 0.52 -1.22 -4.35 118.94 119.69 1gkg s TRP 1084Ca 0.46 1.32 0.11 0.00 0.02 0.00 0.00 56.10 58.01 1gkg s TRP 1084Cb -0.19 -3.07 1.01 0.00 -1.15 0.00 0.00 33.47 30.07 1gkg s TRP 1084CO 0.21 -1.85 1.63 0.77 0.02 0.00 0.00 176.95 177.74 1gkg h SER 1085N -1.15 0.25 -2.97 2.95 0.02 -1.74 -3.47 113.55 107.44 1gkg h SER 1085Ca -0.46 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1gkg h SER 1085Cb 1.25 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1gkg h SER 1085CO 0.56 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1gkg n GLY 1086N -1.33 2.64 3.52 -3.77 0.00 -1.26 -5.05 105.19 99.94 1gkg n GLY 1086Ca 0.30 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1gkg n GLY 1086CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gkg n PRO 1087N 1.04 0.66 0.00 1.61 -0.02 -1.26 -4.85 135.00 132.18 1gkg n PRO 1087Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1gkg n PRO 1087Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg n ALA 1088N -1.59 0.00 -1.72 3.55 0.00 -1.26 -5.10 120.51 114.39 1gkg n ALA 1088Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1gkg n ALA 1088Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.89 1.12 -3.80 0.00 -0.04 -1.25 -4.77 135.00 124.37 1gkg n PRO 1089Ca 0.00 0.44 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1gkg n PRO 1089Cb 0.00 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 30.85 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 -3.32 0.59 0.04 0.54 -2.07 -0.88 -4.92 119.66 109.64 1gkg s GLN 1090Ca 0.82 -0.27 -0.12 0.00 -1.82 0.00 0.00 55.36 53.97 1gkg s GLN 1090Cb -0.38 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 31.74 1gkg s GLN 1090CO 0.41 -0.16 0.40 0.00 -1.32 0.00 0.00 175.29 174.62