#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 -1.62 -3.80 0.62 0.00 -1.26 -4.98 120.51 109.47 1gkg n ALA 958 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 1gkg n ALA 958 Cb 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.51 -5.83 -0.06 0.00 4.07 -1.26 -4.89 120.64 112.16 1gkg n GLU 959 Ca -0.20 0.65 -0.14 0.00 -0.06 0.00 0.00 57.16 57.40 1gkg n GLU 959 Cb 0.66 -5.50 -0.06 0.00 -0.06 0.00 0.00 31.44 26.48 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gkg h ALA 960 N 0.95 0.31 -3.12 4.31 0.00 -2.03 -3.50 119.26 116.19 1gkg h ALA 960 Ca -0.59 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1gkg h ALA 960 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1gkg h ALA 960 CO 0.63 0.38 -0.78 1.17 0.00 0.00 0.00 179.25 180.65 1gkg n LYS 961 N -4.28 -3.69 -3.59 0.00 3.00 -1.26 -4.62 118.16 103.71 1gkg n LYS 961 Ca -0.06 2.79 -0.16 0.00 -0.00 0.00 0.00 58.31 60.89 1gkg n LYS 961 Cb 0.51 -3.27 -0.07 0.00 0.00 0.00 0.00 35.03 32.21 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1gkg s SER 962 N -3.87 -0.60 0.47 3.14 1.04 -1.26 -3.96 113.70 108.65 1gkg s SER 962 Ca 0.00 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 1gkg s SER 962 Cb 0.00 0.77 -0.09 0.00 0.10 0.00 0.00 66.02 66.79 1gkg s SER 962 CO 0.00 -0.46 0.97 0.00 0.98 0.00 0.00 173.24 174.72 1gkg s LYS 964 N -3.62 4.22 -0.02 0.00 0.00 -1.26 -4.78 119.74 114.26 1gkg s LYS 964 Ca 0.60 2.39 -0.30 0.00 0.00 0.00 0.00 55.97 58.66 1gkg s LYS 964 Cb -0.09 -3.10 -0.04 0.00 0.00 0.00 0.00 37.83 34.59 1gkg s LYS 964 CO 0.22 -0.53 1.27 -0.08 0.00 0.00 0.00 175.35 176.23 1gkg s THR 965 N 0.33 4.05 -0.40 3.79 -1.32 -1.26 -4.99 115.64 115.84 1gkg s THR 965 Ca 0.63 1.40 -0.29 0.00 -1.21 0.00 0.00 61.69 62.23 1gkg s THR 965 Cb -0.44 -3.90 0.02 0.00 -1.51 0.00 0.00 72.50 66.67 1gkg s THR 965 CO 0.41 0.01 1.12 -2.16 -2.21 0.00 0.00 174.62 171.79 1gkg s PRO 966 N 2.15 3.88 0.27 7.08 0.04 -1.26 -4.93 135.00 142.23 1gkg s PRO 966 Ca 0.59 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1gkg s PRO 966 Cb -0.27 -3.83 0.48 0.00 0.04 0.00 0.00 34.50 30.91 1gkg s PRO 966 CO 0.24 -1.16 1.58 -1.35 0.04 0.00 0.00 177.00 176.36 1gkg h PRO 967 N 8.75 0.02 0.00 0.56 0.11 -2.03 -3.44 132.00 135.96 1gkg h PRO 967 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1gkg h PRO 967 Cb 1.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gkg h PRO 967 CO 1.08 0.01 0.00 -3.47 -0.21 0.00 0.00 178.00 175.41 1gkg n ASP 968 N -5.53 0.00 -4.58 -2.05 -0.08 -1.26 -4.95 116.55 98.10 1gkg n ASP 968 Ca 0.16 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.07 1gkg n ASP 968 Cb 0.52 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.04 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1gkg n PRO 969 N 0.00 0.68 -1.52 -0.67 -0.02 -1.26 -4.69 135.00 127.52 1gkg n PRO 969 Ca 0.00 0.28 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 1gkg n PRO 969 Cb 0.00 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1gkg n VAL 970 N -1.97 -0.03 0.00 -1.45 0.31 -1.26 -2.19 118.33 111.74 1gkg n VAL 970 Ca 0.13 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1gkg n VAL 970 Cb 0.48 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1gkg n ASN 971 N 11.97 0.00 -1.80 4.52 3.02 -1.26 -3.89 115.26 127.82 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 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.42 3.60 7.41 0.00 -0.93 -4.91 105.19 108.94 1gkg n GLY 972 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 0.80 0.07 1.61 0.23 -0.20 -4.37 119.30 117.44 1gkg s MET 973 Ca 0.00 0.96 -0.14 0.00 -1.03 0.00 0.00 55.69 55.48 1gkg s MET 973 Cb 0.00 0.39 -0.06 0.00 -1.53 0.00 0.00 34.83 33.63 1gkg s MET 973 CO 0.00 -0.10 0.47 0.54 -2.03 0.00 0.00 175.02 173.90 1gkg s VAL 974 N 0.39 4.95 -0.62 5.16 0.11 -1.26 -2.21 120.40 126.91 1gkg s VAL 974 Ca -0.00 0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 59.76 1gkg s VAL 974 Cb -0.05 -3.73 0.16 0.00 -1.53 0.00 0.00 36.38 31.24 1gkg s VAL 974 CO 0.01 0.41 0.50 -1.00 -3.33 0.00 0.00 175.10 171.68 1gkg s HIS 975 N -1.27 3.51 0.11 1.54 3.76 0.71 -4.91 115.29 118.74 1gkg s HIS 975 Ca 0.31 -2.20 -0.16 0.00 -0.15 0.00 0.00 55.06 52.86 1gkg s HIS 975 Cb -0.16 -3.49 -0.04 0.00 1.11 0.00 0.00 32.58 30.01 1gkg s HIS 975 CO 0.17 -0.94 1.59 0.28 -0.85 0.00 0.00 174.74 174.99 1gkg h VAL 976 N 5.46 1.24 0.00 -0.90 2.07 -1.86 -2.42 116.25 119.85 1gkg h VAL 976 Ca -0.06 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1gkg h VAL 976 Cb 1.02 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1gkg h VAL 976 CO 0.78 0.29 0.00 -0.38 0.02 0.00 0.00 177.57 178.28 1gkg n ILE 977 N -4.56 0.00 0.31 4.57 5.41 -1.26 -2.65 119.36 121.17 1gkg n ILE 977 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 1gkg n ILE 977 Cb 0.23 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.10 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 -1.93 -3.50 112.91 110.22 1gkg h THR 978 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 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 -5.21 1.52 -0.53 5.36 -0.08 -1.09 -5.05 116.55 111.46 1gkg n ASP 979 Ca -0.10 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1gkg n ASP 979 Cb 0.33 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.79 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1gkg n ILE 980 N 0.00 0.00 -0.64 5.18 -5.35 -1.26 -4.72 119.36 112.57 1gkg n ILE 980 Ca 0.00 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1gkg n ILE 980 Cb 0.00 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1gkg n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n GLN 981 N 0.01 2.13 -1.52 6.28 6.02 -1.26 -1.08 117.38 127.95 1gkg n GLN 981 Ca -0.01 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.53 1gkg n GLN 981 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 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 0.00 1.99 0.00 5.09 0.31 -1.25 -3.13 118.33 121.34 1gkg n VAL 982 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1gkg n VAL 982 Cb 0.00 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 1.49 1.79 0.14 2.92 0.00 0.39 -4.86 105.19 107.06 1gkg n GLY 983 Ca 0.12 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1gkg n GLY 983 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 984 N 3.77 -0.15 -4.25 1.61 3.41 -1.18 0.13 113.62 116.96 1gkg n SER 984 Ca 0.00 0.06 -0.44 0.00 -0.26 0.00 0.00 58.87 58.22 1gkg n SER 984 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1gkg n SER 984 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1gkg n ARG 985 N 1.38 3.78 -2.76 4.33 0.63 -1.26 -1.98 116.66 120.78 1gkg n ARG 985 Ca 0.00 -4.40 -0.40 0.00 -0.92 0.00 0.00 57.85 52.12 1gkg n ARG 985 Cb 0.00 -2.59 -0.05 0.00 0.45 0.00 0.00 32.46 30.26 1gkg n ARG 985 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1gkg s ILE 986 N -1.38 4.30 -0.15 5.15 -4.36 -0.83 -4.90 121.20 119.02 1gkg s ILE 986 Ca 0.32 2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 62.72 1gkg s ILE 986 Cb -0.05 -4.31 -0.03 0.00 1.25 0.00 0.00 42.46 39.32 1gkg s ILE 986 CO -0.02 0.42 -0.03 0.42 0.24 0.00 0.00 174.94 175.96 1gkg s THR 987 N -0.62 3.97 0.04 8.37 -4.23 -0.91 -0.90 115.64 121.35 1gkg s THR 987 Ca 0.43 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1gkg s THR 987 Cb -0.24 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1gkg s THR 987 CO 0.30 0.50 0.26 -0.31 -0.54 0.00 0.00 174.62 174.83 1gkg s TYR 988 N 0.29 3.54 -0.19 3.99 1.51 0.52 -0.21 117.35 126.80 1gkg s TYR 988 Ca -0.03 0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 56.39 1gkg s TYR 988 Cb -0.14 -1.91 0.07 0.00 -0.11 0.00 0.00 41.96 39.87 1gkg s TYR 988 CO 0.03 0.58 0.44 -1.54 -1.11 0.00 0.00 175.55 173.95 1gkg s SER 989 N -2.08 -0.52 0.00 2.29 1.04 -0.94 -4.53 113.70 108.96 1gkg s SER 989 Ca 0.32 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1gkg s SER 989 Cb -0.13 0.94 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1gkg s SER 989 CO 0.21 -0.20 0.00 0.00 0.98 0.00 0.00 173.24 174.23 1gkg s THR 991 N 1.51 0.00 -0.03 0.00 -1.32 -1.26 -4.72 115.64 109.81 1gkg s THR 991 Ca 0.00 -0.24 -0.35 0.00 -1.21 0.00 0.00 61.69 59.89 1gkg s THR 991 Cb 0.00 -1.38 -0.13 0.00 -1.51 0.00 0.00 72.50 69.48 1gkg s THR 991 CO 0.00 0.00 1.74 0.41 -2.21 0.00 0.00 174.62 174.56 1gkg n THR 992 N -0.33 0.35 0.00 5.08 -1.04 -1.26 -3.00 114.28 114.07 1gkg n THR 992 Ca -0.08 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1gkg n THR 992 Cb 0.61 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 3.97 1.52 2.90 3.41 0.00 -1.26 -5.10 105.19 110.63 1gkg n GLY 993 Ca 0.21 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.34 0.09 -0.21 1.61 4.02 -1.16 -4.33 115.29 114.96 1gkg s HIS 994 Ca 0.00 -0.12 -0.27 0.00 1.02 0.00 0.00 55.06 55.69 1gkg s HIS 994 Cb 0.00 -0.06 -0.00 0.00 -1.02 0.00 0.00 32.58 31.50 1gkg s HIS 994 CO 0.00 -0.04 0.95 0.50 1.02 0.00 0.00 174.74 177.17 1gkg s ARG 995 N -0.33 4.26 0.01 1.40 3.52 -0.66 -4.58 118.95 122.57 1gkg s ARG 995 Ca -0.03 1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 1gkg s ARG 995 Cb -0.02 -3.62 -0.06 0.00 -1.56 0.00 0.00 34.95 29.68 1gkg s ARG 995 CO -0.00 -0.52 1.56 -1.17 -0.81 0.00 0.00 175.30 174.35 1gkg s LEU 996 N 2.82 4.33 0.15 -0.88 2.96 -1.26 -0.64 118.68 126.16 1gkg s LEU 996 Ca 0.41 2.27 -0.06 0.00 -0.22 0.00 0.00 54.13 56.53 1gkg s LEU 996 Cb -0.16 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1gkg s LEU 996 CO 0.09 -0.84 0.41 -0.63 -1.32 0.00 0.00 176.35 174.05 1gkg s ILE 997 N 2.96 5.12 0.08 6.68 -1.09 0.20 -4.92 121.20 130.23 1gkg s ILE 997 Ca 0.70 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1gkg s ILE 997 Cb -0.35 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1gkg s ILE 997 CO 0.29 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1gkg n GLY 998 N 0.12 -1.56 3.72 6.18 0.00 -1.26 -2.42 105.19 109.97 1gkg n GLY 998 Ca -0.02 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N -1.49 3.50 -0.12 1.61 3.76 -1.26 -4.89 115.29 116.39 1gkg s HIS 999 Ca 0.00 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 1gkg s HIS 999 Cb 0.00 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.33 1gkg s HIS 999 CO 0.00 -0.99 0.72 0.43 -0.85 0.00 0.00 174.74 174.05 1gkg n SER 1000N 3.47 2.10 -3.52 1.40 7.64 -1.26 -4.66 113.62 118.79 1gkg n SER 1000Ca 0.07 -1.52 -0.16 0.00 1.01 0.00 0.00 58.87 58.27 1gkg n SER 1000Cb 0.47 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gkg s SER 1001N 0.85 -0.58 -0.22 6.43 1.04 -1.26 -0.36 113.70 119.61 1gkg s SER 1001Ca 0.00 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 56.91 1gkg s SER 1001Cb 0.00 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.70 1gkg s SER 1001CO 0.00 -0.58 0.48 0.00 0.98 0.00 0.00 173.24 174.12 1gkg s ALA 1002N -1.45 -1.36 -0.12 5.32 0.00 -0.08 -4.78 121.76 119.29 1gkg s ALA 1002Ca -0.07 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 1gkg s ALA 1002Cb -0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1gkg s ALA 1002CO 0.06 -0.66 -0.00 -1.83 0.00 0.00 0.00 175.76 173.32 1gkg s GLU 1003N 2.35 3.31 0.03 0.00 -1.05 -1.26 -1.97 118.70 120.12 1gkg s GLU 1003Ca -0.05 -0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 1gkg s GLU 1003Cb -0.11 -2.88 -0.06 0.00 -0.44 0.00 0.00 34.13 30.64 1gkg s GLU 1003CO -0.14 0.52 1.38 0.00 0.95 0.00 0.00 175.26 177.97 1gkg s ILE 1005N 1.96 0.43 -0.12 0.00 -0.00 -0.94 -0.46 121.20 122.08 1gkg s ILE 1005Ca 0.64 -0.83 -0.23 0.00 -0.00 0.00 0.00 60.65 60.22 1gkg s ILE 1005Cb -0.33 -0.48 -0.03 0.00 -0.00 0.00 0.00 42.46 41.63 1gkg s ILE 1005CO 0.28 -0.28 0.72 -0.22 -0.00 0.00 0.00 174.94 175.44 1gkg s LEU 1006N -1.19 4.24 -0.14 0.37 1.98 -1.26 -2.39 118.68 120.30 1gkg s LEU 1006Ca -0.08 1.11 -0.10 0.00 -2.89 0.00 0.00 54.13 52.17 1gkg s LEU 1006Cb -0.08 -3.08 -0.25 0.00 0.66 0.00 0.00 46.19 43.44 1gkg s LEU 1006CO 0.00 -0.22 0.34 -0.24 -1.89 0.00 0.00 176.35 174.34 1gkg n SER 1007N 4.41 2.08 0.00 3.68 2.88 -1.25 -4.93 113.62 120.48 1gkg n SER 1007Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1gkg n SER 1007Cb 0.50 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 1.88 0.17 1.94 0.46 0.00 -1.26 -5.04 105.19 103.33 1gkg n GLY 1008Ca -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.98 0.00 -4.83 1.61 3.02 -1.26 -5.11 115.26 107.70 1gkg n ASN 1009Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1gkg n ASN 1009Cb 0.00 0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.97 5.33 0.28 3.41 2.01 -1.26 -5.06 115.64 118.38 1gkg s THR 1010Ca 0.00 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 1gkg s THR 1010Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1gkg s THR 1010CO 0.00 0.56 1.07 0.00 -0.69 0.00 0.00 174.62 175.56 1gkg s ALA 1011N -0.72 3.38 0.02 7.40 0.00 -1.26 -3.89 121.76 126.69 1gkg s ALA 1011Ca 0.17 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 1gkg s ALA 1011Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1gkg s ALA 1011CO 0.06 -0.11 0.30 -3.38 0.00 0.00 0.00 175.76 172.63 1gkg s HIS 1012N -1.19 -0.11 0.16 0.00 -3.43 -1.01 -4.43 115.29 105.28 1gkg s HIS 1012Ca 0.44 0.04 -0.31 0.00 -0.80 0.00 0.00 55.06 54.44 1gkg s HIS 1012Cb -0.31 0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 30.84 1gkg s HIS 1012CO 0.39 -0.46 1.41 -1.58 -2.00 0.00 0.00 174.74 172.50 1gkg s TRP 1013N -2.16 3.19 0.64 0.38 0.52 -1.26 -2.21 118.94 118.04 1gkg s TRP 1013Ca -0.08 0.97 0.28 0.00 0.02 0.00 0.00 56.10 57.29 1gkg s TRP 1013Cb -0.02 -3.72 1.51 0.00 -1.15 0.00 0.00 33.47 30.08 1gkg s TRP 1013CO -0.01 -2.48 1.87 1.03 0.02 0.00 0.00 176.95 177.39 1gkg h SER 1014N 6.26 0.00 -4.07 2.95 0.87 -1.79 -3.41 113.55 114.36 1gkg h SER 1014Ca -0.43 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.83 1gkg h SER 1014Cb 1.21 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.90 1gkg h SER 1014CO 0.84 0.00 -0.74 0.42 -0.53 0.00 0.00 176.83 176.82 1gkg s THR 1015N -4.30 0.37 0.57 2.23 -4.23 -1.26 -5.04 115.64 103.99 1gkg s THR 1015Ca -0.04 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.91 1gkg s THR 1015Cb 0.11 -0.35 -0.06 0.00 1.34 0.00 0.00 72.50 73.55 1gkg s THR 1015CO 0.37 -0.01 0.98 2.29 -0.54 0.00 0.00 174.62 177.72 1gkg n LYS 1016N 2.66 1.00 -1.69 3.99 0.00 -1.26 -4.82 118.16 118.03 1gkg n LYS 1016Ca -0.15 0.38 -0.52 0.00 -0.00 0.00 0.00 58.31 58.02 1gkg n LYS 1016Cb 0.58 -2.17 -0.06 0.00 -0.00 0.00 0.00 35.03 33.38 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1gkg n PRO 1017N -0.84 1.71 -1.42 -1.58 -0.02 -1.26 -4.76 135.00 126.83 1gkg n PRO 1017Ca 0.13 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1gkg n PRO 1017Cb 0.46 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gkg n PRO 1018N 5.98 0.57 -3.76 0.52 -0.02 -1.26 -4.99 135.00 132.04 1gkg n PRO 1018Ca 0.24 0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1gkg n PRO 1018Cb 0.22 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 1gkg n PRO 1018CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1gkg s ILE 1019N -1.74 -0.04 -0.39 4.25 2.07 -1.02 -3.99 121.20 120.33 1gkg s ILE 1019Ca 0.73 0.15 -0.24 0.00 -1.41 0.00 0.00 60.65 59.88 1gkg s ILE 1019Cb -0.37 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.03 1gkg s ILE 1019CO 0.50 0.06 0.84 0.00 -1.91 0.00 0.00 174.94 174.44 1gkg s GLN 1021N 3.32 4.45 0.18 0.00 0.74 0.18 -4.84 119.66 123.69 1gkg s GLN 1021Ca 0.34 1.04 -0.30 0.00 0.05 0.00 0.00 55.36 56.49 1gkg s GLN 1021Cb -0.12 -3.47 -0.08 0.00 1.10 0.00 0.00 33.01 30.44 1gkg s GLN 1021CO 0.20 -0.02 1.20 -0.98 -0.55 0.00 0.00 175.29 175.14 1gkg s ARG 1022N 1.03 4.49 -0.19 1.67 1.70 -1.26 -1.65 118.95 124.74 1gkg s ARG 1022Ca 0.41 1.87 -0.09 0.00 -0.47 0.00 0.00 55.73 57.45 1gkg s ARG 1022Cb -0.18 -3.25 -0.05 0.00 -0.57 0.00 0.00 34.95 30.90 1gkg s ARG 1022CO 0.20 -0.10 0.12 0.42 -1.08 0.00 0.00 175.30 174.86 1gkg s ILE 1023N 0.01 5.30 -0.27 4.99 1.01 -1.26 -4.96 121.20 126.01 1gkg s ILE 1023Ca 0.53 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1gkg s ILE 1023Cb -0.32 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1gkg s ILE 1023CO 0.36 0.46 1.39 -2.16 0.00 0.00 0.00 174.94 175.00 1gkg s PRO 1024N 0.21 3.88 0.23 2.79 0.04 -1.26 -3.16 135.00 137.73 1gkg s PRO 1024Ca 0.08 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1gkg s PRO 1024Cb -0.11 -3.92 -0.07 0.00 0.04 0.00 0.00 34.50 30.43 1gkg s PRO 1024CO -0.01 -1.17 0.59 0.00 0.04 0.00 0.00 177.00 176.45 1gkg s GLY 1026N -2.21 2.51 0.35 0.00 0.00 0.08 -4.72 107.32 103.32 1gkg s GLY 1026Ca 0.47 0.57 -0.27 0.00 0.00 0.00 0.00 44.72 45.49 1gkg s GLY 1026CO 0.20 0.89 1.08 1.47 0.00 0.00 0.00 173.10 176.74 1gkg n LEU 1027N -0.81 2.56 -4.74 0.66 -0.00 -1.26 -4.47 117.00 108.94 1gkg n LEU 1027Ca 0.08 1.13 -0.39 0.00 -0.00 0.00 0.00 56.01 56.83 1gkg n LEU 1027Cb 0.53 -1.36 0.03 0.00 -0.00 0.00 0.00 43.42 42.61 1gkg n LEU 1027CO 0.39 -1.19 0.97 -0.81 -0.00 0.00 0.00 177.39 176.75 1gkg n PRO 1028N 0.46 1.83 -1.54 1.47 -0.04 -1.26 -4.84 135.00 131.08 1gkg n PRO 1028Ca 0.08 0.66 -0.51 0.00 -0.04 0.00 0.00 63.50 63.70 1gkg n PRO 1028Cb 0.36 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.23 1gkg n PRO 1028CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1gkg n PRO 1029N -0.66 0.82 -2.57 0.54 -0.02 -1.26 -4.88 135.00 126.98 1gkg n PRO 1029Ca 0.09 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1gkg n PRO 1029Cb 0.43 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gkg s THR 1030N -0.24 4.50 -0.37 3.45 -4.23 -1.26 -5.00 115.64 112.48 1gkg s THR 1030Ca 0.75 1.79 -0.22 0.00 -1.18 0.00 0.00 61.69 62.84 1gkg s THR 1030Cb -0.94 -4.15 0.01 0.00 1.34 0.00 0.00 72.50 68.76 1gkg s THR 1030CO 0.53 0.03 0.70 -0.51 -0.54 0.00 0.00 174.62 174.83 1gkg s ILE 1031N 1.92 4.81 0.41 2.99 2.07 -1.26 -5.03 121.20 127.11 1gkg s ILE 1031Ca 0.53 0.64 -0.27 0.00 -1.41 0.00 0.00 60.65 60.14 1gkg s ILE 1031Cb -0.22 -4.15 -0.10 0.00 0.13 0.00 0.00 42.46 38.12 1gkg s ILE 1031CO 0.22 -0.41 1.45 0.00 -1.91 0.00 0.00 174.94 174.29 1gkg s ALA 1032N 2.89 3.43 -1.50 1.50 0.00 -1.26 -2.29 121.76 124.53 1gkg s ALA 1032Ca 0.27 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.69 1gkg s ALA 1032Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1gkg s ALA 1032CO 0.16 -1.09 0.60 0.09 0.00 0.00 0.00 175.76 175.52 1gkg n ASN 1033N 0.20 -5.62 -3.64 0.00 3.02 -1.26 -4.93 115.26 103.03 1gkg n ASN 1033Ca 0.03 -0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.22 1gkg n ASN 1033Cb 0.40 -4.55 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -2.72 -0.08 0.00 7.41 0.00 -0.97 -2.22 107.32 108.74 1gkg s GLY 1034Ca 0.33 3.00 0.00 0.00 0.00 0.00 0.00 44.72 48.05 1gkg s GLY 1034CO 0.41 2.44 0.00 1.22 0.00 0.00 0.00 173.10 177.17 1gkg n ASP 1035N 3.49 0.00 -3.67 1.64 9.92 -1.26 -4.37 116.55 122.29 1gkg n ASP 1035Ca -0.18 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.95 1gkg n ASP 1035Cb 0.57 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1gkg s PHE 1036N 0.00 -0.61 0.37 1.24 -0.12 -1.26 -4.23 117.98 113.37 1gkg s PHE 1036Ca 0.00 1.44 -0.09 0.00 -0.05 0.00 0.00 56.93 58.24 1gkg s PHE 1036Cb 0.00 0.22 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 1gkg s PHE 1036CO 0.00 -0.33 0.71 0.42 -0.05 0.00 0.00 175.22 175.97 1gkg s ILE 1037N 0.11 4.86 0.17 -4.49 1.01 -0.53 -4.90 121.20 117.43 1gkg s ILE 1037Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1gkg s ILE 1037Cb -0.04 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1gkg s ILE 1037CO 0.02 -0.48 0.00 -1.20 0.00 0.00 0.00 174.94 173.28 1gkg n SER 1038N -1.24 -3.74 0.06 3.58 7.64 -1.26 -4.08 113.62 114.58 1gkg n SER 1038Ca 0.01 0.43 -0.13 0.00 1.01 0.00 0.00 58.87 60.19 1gkg n SER 1038Cb 0.54 -0.98 -0.08 0.00 -1.01 0.00 0.00 64.21 62.68 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 0.63 0.00 -6.02 0.44 1.35 -1.96 -3.44 112.91 103.91 1gkg h THR 1039Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.45 1gkg h THR 1039Cb 0.00 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 66.22 1gkg h THR 1039CO 0.00 0.00 -0.61 -3.20 -0.25 0.00 0.00 175.52 171.46 1gkg n ASN 1040N -4.95 -0.41 -3.04 5.36 5.15 -1.26 -4.87 115.26 111.23 1gkg n ASN 1040Ca -0.06 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 1gkg n ASN 1040Cb 0.33 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gkg n ARG 1041N -3.06 0.79 -1.46 1.20 5.12 -1.26 -4.85 116.66 113.14 1gkg n ARG 1041Ca -0.05 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.47 1gkg n ARG 1041Cb 0.37 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.65 1gkg n ARG 1041CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1gkg n GLU 1042N -0.18 2.59 -0.42 5.56 2.13 -1.26 -3.40 120.64 125.66 1gkg n GLU 1042Ca 0.00 -2.28 -0.01 0.00 0.66 0.00 0.00 57.16 55.53 1gkg n GLU 1042Cb 0.00 -3.07 -0.01 0.00 0.27 0.00 0.00 31.44 28.63 1gkg n GLU 1042CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1gkg n ASN 1043N 5.94 -0.17 -4.75 4.31 0.23 -1.26 -5.13 115.26 114.42 1gkg n ASN 1043Ca 0.55 -0.69 -0.38 0.00 -0.53 0.00 0.00 54.58 53.53 1gkg n ASN 1043Cb 0.35 0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 1gkg n ASN 1043CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1gkg s PHE 1044N 0.00 3.56 0.00 -2.53 -0.12 -1.22 -5.06 117.98 112.61 1gkg s PHE 1044Ca 0.00 0.90 0.00 0.00 -0.05 0.00 0.00 56.93 57.78 1gkg s PHE 1044Cb 0.00 -2.48 0.00 0.00 -0.63 0.00 0.00 43.02 39.91 1gkg s PHE 1044CO 0.00 0.28 0.00 0.72 -0.05 0.00 0.00 175.22 176.17 1gkg n HIS 1045N 3.24 0.00 -0.74 3.49 8.25 -1.26 -4.09 115.22 124.12 1gkg n HIS 1045Ca -0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.04 1gkg n HIS 1045Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 0.00 0.12 0.00 4.41 9.36 -1.19 -1.88 117.16 127.98 1gkg n TYR 1046Ca 0.00 -0.36 0.00 0.00 3.32 0.00 0.00 57.90 60.86 1gkg n TYR 1046Cb 0.00 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 37.77 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 4.91 1.45 0.00 2.98 0.00 -1.26 -4.79 105.19 108.49 1gkg n GLY 1047Ca 0.38 0.64 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 4.99 0.00 -3.76 1.61 3.41 -1.26 -4.85 113.62 113.76 1gkg n SER 1048Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1gkg n SER 1048Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1gkg n SER 1048CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gkg s VAL 1049N -3.01 0.01 -0.02 -3.33 1.01 -1.26 -2.42 120.40 111.38 1gkg s VAL 1049Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1gkg s VAL 1049Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1gkg s VAL 1049CO 0.00 -0.05 0.04 0.68 0.00 0.00 0.00 175.10 175.77 1gkg s VAL 1050N -0.10 -0.02 -0.19 2.92 -7.23 -0.96 -4.95 120.40 109.88 1gkg s VAL 1050Ca -0.02 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.03 1gkg s VAL 1050Cb -0.03 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.81 1gkg s VAL 1050CO 0.01 0.02 0.48 -0.89 -0.31 0.00 0.00 175.10 174.41 1gkg s THR 1051N 0.32 5.15 0.66 5.32 2.01 -1.26 -2.09 115.64 125.74 1gkg s THR 1051Ca -0.03 0.88 -0.14 0.00 0.31 0.00 0.00 61.69 62.72 1gkg s THR 1051Cb -0.04 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1gkg s THR 1051CO -0.01 0.22 1.08 -0.31 -0.69 0.00 0.00 174.62 174.91 1gkg s TYR 1052N 1.38 2.81 0.00 4.92 1.51 0.81 -1.45 117.35 127.34 1gkg s TYR 1052Ca 0.23 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.81 1gkg s TYR 1052Cb -0.15 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1gkg s TYR 1052CO 0.09 -1.45 0.00 2.89 -1.11 0.00 0.00 175.55 175.98 1gkg n ARG 1053N -2.55 0.00 -3.66 -0.62 1.85 -1.26 -4.88 116.66 105.54 1gkg n ARG 1053Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.79 1gkg n ARG 1053Cb 0.53 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.86 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gkg n ASN 1055N 1.84 0.59 -3.19 0.00 2.85 -0.94 -4.64 115.26 111.77 1gkg n ASN 1055Ca -0.17 0.76 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 1gkg n ASN 1055Cb 0.56 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.20 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 -0.95 0.00 0.00 1.20 7.99 -1.26 -4.47 117.00 119.51 1gkg n LEU 1056Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1gkg n LEU 1056Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1gkg n LEU 1056CO 0.49 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.98 1gkg n GLY 1057N 2.60 0.00 0.00 -0.72 0.00 -1.26 -4.70 105.19 101.11 1gkg n GLY 1057Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gkg n GLY 1057CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 1058N -0.46 0.00 0.00 1.61 7.64 -1.26 -5.03 113.62 116.12 1gkg n SER 1058Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gkg n SER 1058Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gkg n ARG 1059N -0.63 0.00 -2.21 1.43 3.00 -1.26 -5.02 116.66 111.97 1gkg n ARG 1059Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1gkg n ARG 1059Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gkg n GLY 1060N -1.18 1.11 0.00 5.14 0.00 -1.26 -4.93 105.19 104.07 1gkg n GLY 1060Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1gkg n GLY 1060CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gkg n ARG 1061N -1.02 3.27 -2.68 1.61 0.63 -1.26 -4.97 116.66 112.24 1gkg n ARG 1061Ca -0.13 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.74 1gkg n ARG 1061Cb 0.76 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.75 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1gkg n LYS 1062N 0.00 0.27 0.07 -0.14 4.81 -1.26 -4.71 118.16 117.20 1gkg n LYS 1062Ca 0.00 -0.92 -0.21 0.00 -0.87 0.00 0.00 58.31 56.32 1gkg n LYS 1062Cb 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 35.03 34.46 1gkg n LYS 1062CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1gkg h VAL 1063N 1.48 1.02 -4.02 3.15 -1.51 -1.84 -3.46 116.25 111.07 1gkg h VAL 1063Ca -0.23 -2.62 -0.49 0.00 -1.23 0.00 0.00 66.70 62.13 1gkg h VAL 1063Cb 1.18 2.77 0.04 0.00 -2.13 0.00 0.00 31.29 33.15 1gkg h VAL 1063CO -0.06 0.84 0.43 -0.36 -1.23 0.00 0.00 177.57 177.19 1gkg s PHE 1064N -2.59 3.00 -0.15 5.19 0.40 -1.26 -5.04 117.98 117.53 1gkg s PHE 1064Ca -0.13 1.58 0.01 0.00 -0.60 0.00 0.00 56.93 57.79 1gkg s PHE 1064Cb 0.06 -3.21 0.02 0.00 0.51 0.00 0.00 43.02 40.40 1gkg s PHE 1064CO 0.86 -1.07 -0.15 -1.21 0.70 0.00 0.00 175.22 174.34 1gkg s GLU 1065N -2.83 2.38 0.42 0.44 2.02 -1.26 -4.85 118.70 115.02 1gkg s GLU 1065Ca 0.64 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.79 1gkg s GLU 1065Cb -0.23 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.77 1gkg s GLU 1065CO 0.28 -0.22 1.22 -1.17 0.02 0.00 0.00 175.26 175.39 1gkg s LEU 1066N 1.42 4.14 -0.04 1.80 2.96 -1.26 0.18 118.68 127.88 1gkg s LEU 1066Ca 0.04 2.45 -0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1gkg s LEU 1066Cb -0.13 -4.05 0.03 0.00 0.50 0.00 0.00 46.19 42.54 1gkg s LEU 1066CO -0.10 -0.82 0.03 -0.69 -1.32 0.00 0.00 176.35 173.44 1gkg s VAL 1067N -1.39 0.09 0.27 1.68 1.01 -0.45 -4.88 120.40 116.73 1gkg s VAL 1067Ca 0.59 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1gkg s VAL 1067Cb -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1gkg s VAL 1067CO 0.41 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1gkg n GLY 1068N 4.81 -3.08 3.49 4.51 0.00 -1.26 -2.56 105.19 111.09 1gkg n GLY 1068Ca -0.13 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.70 -0.72 0.00 1.61 2.13 -1.26 -4.54 120.64 115.15 1gkg n GLU 1069Ca -0.03 0.13 0.05 0.00 0.66 0.00 0.00 57.16 57.96 1gkg n GLU 1069Cb 0.27 -1.00 0.28 0.00 0.27 0.00 0.00 31.44 31.27 1gkg n GLU 1069CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1gkg n PRO 1070N -2.23 1.00 -3.60 5.31 -0.04 -1.26 -4.46 135.00 129.71 1gkg n PRO 1070Ca -0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 1gkg n PRO 1070Cb 0.33 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1gkg n PRO 1070CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gkg s SER 1071N -1.30 -0.50 0.13 3.54 0.15 -1.26 -0.13 113.70 114.33 1gkg s SER 1071Ca 0.14 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.30 1gkg s SER 1071Cb 0.07 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1gkg s SER 1071CO 0.11 -0.55 0.08 0.27 1.20 0.00 0.00 173.24 174.36 1gkg s ILE 1072N -1.20 0.10 -0.16 6.45 -4.36 -0.89 -4.97 121.20 116.18 1gkg s ILE 1072Ca -0.12 -1.85 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1gkg s ILE 1072Cb -0.02 -2.01 0.04 0.00 1.25 0.00 0.00 42.46 41.73 1gkg s ILE 1072CO 0.08 -0.46 0.42 -0.72 0.24 0.00 0.00 174.94 174.50 1gkg s TYR 1073N -4.04 -0.48 0.11 1.37 -0.85 -1.26 -2.27 117.35 109.94 1gkg s TYR 1073Ca 0.23 1.14 -0.30 0.00 -0.52 0.00 0.00 57.07 57.62 1gkg s TYR 1073Cb 0.07 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 1gkg s TYR 1073CO 0.01 -0.24 1.07 0.00 -1.52 0.00 0.00 175.55 174.88 1gkg n THR 1075N 3.02 1.71 -1.68 0.00 5.66 -1.24 -4.63 114.28 117.12 1gkg n THR 1075Ca 0.04 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1gkg n THR 1075Cb 0.48 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 1gkg n THR 1075CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gkg n SER 1076N -3.27 -8.84 0.00 1.09 7.64 -1.25 -4.42 113.62 104.57 1gkg n SER 1076Ca -0.24 1.26 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1gkg n SER 1076Cb 1.05 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1gkg n ASN 1077N -0.24 0.88 0.00 6.43 2.04 -1.26 -4.78 115.26 118.32 1gkg n ASN 1077Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1gkg n ASN 1077Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 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 0.00 0.00 -0.11 0.53 2.03 -1.26 -3.74 116.55 114.01 1gkg n ASP 1078Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1gkg n ASP 1078Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gkg n ASP 1079N 0.50 1.90 -0.62 1.67 9.92 -1.26 -4.91 116.55 123.75 1gkg n ASP 1079Ca 0.00 0.38 -0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1gkg n ASP 1079Cb 0.00 -0.92 -0.00 0.00 -0.64 0.00 0.00 41.12 39.56 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 -4.31 0.00 -0.03 -1.24 10.64 -1.24 -5.02 117.38 116.17 1gkg n GLN 1080Ca -0.38 -0.01 -0.21 0.00 -1.83 0.00 0.00 57.00 54.58 1gkg n GLN 1080Cb 0.76 0.44 -0.13 0.00 -0.86 0.00 0.00 30.24 30.45 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg h VAL 1081N 0.03 1.00 -2.95 -0.39 2.07 -1.80 -3.41 116.25 110.81 1gkg h VAL 1081Ca -0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1gkg h VAL 1081Cb 0.57 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1gkg h VAL 1081CO -0.00 0.61 -0.62 0.61 0.02 0.00 0.00 177.57 178.19 1gkg n GLY 1082N 1.68 -4.64 3.39 2.17 0.00 -1.25 -3.60 105.19 102.95 1gkg n GLY 1082Ca -0.27 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.96 -0.00 0.04 -0.61 -0.00 -1.26 -0.74 121.20 117.66 1gkg s ILE 1083Ca 0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 60.65 60.36 1gkg s ILE 1083Cb 0.00 -0.71 -0.06 0.00 -0.00 0.00 0.00 42.46 41.69 1gkg s ILE 1083CO 0.00 0.01 1.38 0.26 -0.00 0.00 0.00 174.94 176.58 1gkg s TRP 1084N 0.59 3.02 0.14 1.37 0.52 -1.26 -3.71 118.94 119.60 1gkg s TRP 1084Ca -0.03 0.91 -0.10 0.00 0.02 0.00 0.00 56.10 56.90 1gkg s TRP 1084Cb -0.05 -3.64 -0.06 0.00 -1.15 0.00 0.00 33.47 28.58 1gkg s TRP 1084CO -0.03 -2.30 1.43 1.03 0.02 0.00 0.00 176.95 177.10 1gkg h SER 1085N 7.45 0.95 -2.53 2.95 0.87 -1.92 -3.44 113.55 117.89 1gkg h SER 1085Ca -0.39 -0.49 -0.53 0.00 -1.23 0.00 0.00 61.79 59.14 1gkg h SER 1085Cb 1.19 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1gkg h SER 1085CO 0.88 1.29 1.12 -0.83 -0.53 0.00 0.00 176.83 178.76 1gkg s GLY 1086N -3.95 1.45 0.00 5.77 0.00 -1.26 -4.99 107.32 104.34 1gkg s GLY 1086Ca -0.10 1.28 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1gkg s GLY 1086CO 0.89 3.18 0.00 -1.05 0.00 0.00 0.00 173.10 176.11 1gkg n PRO 1087N 6.47 0.00 -3.64 2.90 -0.02 -1.26 -4.78 135.00 134.66 1gkg n PRO 1087Ca 0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1gkg n PRO 1087Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.81 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 -2.72 -1.93 0.11 3.55 0.00 -1.26 -4.78 121.76 114.74 1gkg s ALA 1088Ca 0.00 2.40 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1gkg s ALA 1088Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1gkg s ALA 1088CO 0.00 -0.41 0.00 -0.35 0.00 0.00 0.00 175.76 175.00 1gkg n PRO 1089N 4.34 3.62 -3.68 0.00 -0.04 -1.26 -5.07 135.00 132.91 1gkg n PRO 1089Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1gkg n PRO 1089Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N 0.00 0.40 -0.24 0.54 2.00 -1.06 -5.04 119.66 116.26 1gkg s GLN 1090Ca 0.00 0.89 -0.09 0.00 -2.00 0.00 0.00 55.36 54.17 1gkg s GLN 1090Cb 0.00 0.09 -0.04 0.00 0.80 0.00 0.00 33.01 33.86 1gkg s GLN 1090CO 0.00 -0.18 0.11 0.00 -0.50 0.00 0.00 175.29 174.72