#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg s ALA 958 N 0.00 -2.25 -1.21 0.62 0.00 -1.26 -5.00 121.76 112.66 1gkg s ALA 958 Ca 0.00 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.87 1gkg s ALA 958 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1gkg s ALA 958 CO 0.00 -0.25 0.85 -1.91 0.00 0.00 0.00 175.76 174.46 1gkg n GLU 959 N 2.64 -4.72 -2.45 0.00 4.07 -1.26 -4.91 120.64 114.01 1gkg n GLU 959 Ca -0.15 0.73 -0.03 0.00 -0.06 0.00 0.00 57.16 57.66 1gkg n GLU 959 Cb 0.57 -5.46 0.07 0.00 -0.06 0.00 0.00 31.44 26.56 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gkg n ALA 960 N -4.02 0.28 -1.98 4.31 0.00 -1.26 -4.94 120.51 112.91 1gkg n ALA 960 Ca -0.24 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.04 1gkg n ALA 960 Cb 0.66 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 1gkg n ALA 960 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gkg s LYS 961 N 0.10 4.70 0.12 0.00 3.01 -1.26 -4.56 119.74 121.85 1gkg s LYS 961 Ca 0.10 1.61 -0.28 0.00 -1.01 0.00 0.00 55.97 56.38 1gkg s LYS 961 Cb 0.26 -3.29 -0.07 0.00 -1.01 0.00 0.00 37.83 33.73 1gkg s LYS 961 CO -0.07 0.25 0.87 -1.54 0.51 0.00 0.00 175.35 175.37 1gkg s SER 962 N -0.50 7.42 0.00 2.83 1.04 -1.26 -1.11 113.70 122.12 1gkg s SER 962 Ca 0.46 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1gkg s SER 962 Cb -0.27 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1gkg s SER 962 CO 0.34 0.04 1.48 0.00 0.98 0.00 0.00 173.24 176.08 1gkg n LYS 964 N 0.99 -4.36 -1.77 0.00 4.81 -1.26 -4.62 118.16 111.94 1gkg n LYS 964 Ca 0.00 3.25 -0.42 0.00 -0.87 0.00 0.00 58.31 60.27 1gkg n LYS 964 Cb 0.50 -3.65 -0.03 0.00 0.02 0.00 0.00 35.03 31.87 1gkg n LYS 964 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1gkg s THR 965 N -3.27 2.71 -0.11 3.15 2.01 -1.26 -4.92 115.64 113.94 1gkg s THR 965 Ca 0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1gkg s THR 965 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1gkg s THR 965 CO 0.00 -0.00 1.63 -2.84 -0.69 0.00 0.00 174.62 172.72 1gkg s PRO 966 N 2.85 4.05 0.18 4.92 0.02 -1.26 -4.99 135.00 140.77 1gkg s PRO 966 Ca 0.80 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 63.52 1gkg s PRO 966 Cb -0.44 -4.00 -0.08 0.00 0.02 0.00 0.00 34.50 30.01 1gkg s PRO 966 CO 0.36 -1.00 1.10 -1.25 -0.33 0.00 0.00 177.00 175.87 1gkg s PRO 967 N 4.25 4.60 -0.61 5.54 0.04 -1.26 -4.82 135.00 142.73 1gkg s PRO 967 Ca 0.72 1.71 -0.32 0.00 0.04 0.00 0.00 61.00 63.15 1gkg s PRO 967 Cb -0.30 -3.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.81 1gkg s PRO 967 CO 0.29 0.08 2.41 -3.47 0.04 0.00 0.00 177.00 176.34 1gkg n ASP 968 N 2.37 1.42 -3.54 6.66 2.03 -1.26 -4.92 116.55 119.32 1gkg n ASP 968 Ca 0.03 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1gkg n ASP 968 Cb 0.46 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1gkg n PRO 969 N 8.42 2.28 -0.89 -0.67 -0.04 -1.17 -4.65 135.00 138.28 1gkg n PRO 969 Ca 0.50 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.73 1gkg n PRO 969 Cb 0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.60 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gkg n VAL 970 N -0.07 0.00 0.00 0.52 0.31 -1.26 -3.85 118.33 113.98 1gkg n VAL 970 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1gkg n VAL 970 Cb 0.00 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 9.30 0.00 -4.72 4.52 3.02 -1.26 -4.29 115.26 121.83 1gkg n ASN 971 Ca 0.29 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 1gkg n ASN 971 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 1.95 0.12 7.41 0.00 -1.25 -4.59 107.32 110.96 1gkg s GLY 972 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.76 1gkg s GLY 972 CO 0.00 2.36 0.47 1.06 0.00 0.00 0.00 173.10 177.00 1gkg s MET 973 N 1.01 3.85 0.36 2.90 -1.94 -0.93 -3.03 119.30 121.53 1gkg s MET 973 Ca 0.65 0.31 -0.15 0.00 -1.71 0.00 0.00 55.69 54.79 1gkg s MET 973 Cb -0.38 -2.94 -0.09 0.00 2.01 0.00 0.00 34.83 33.44 1gkg s MET 973 CO 0.31 0.51 0.78 0.54 -0.01 0.00 0.00 175.02 177.15 1gkg s VAL 974 N -1.46 4.66 -0.41 -6.03 0.11 -1.26 -2.29 120.40 113.71 1gkg s VAL 974 Ca 0.36 0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 60.35 1gkg s VAL 974 Cb -0.14 -3.64 0.11 0.00 -1.53 0.00 0.00 36.38 31.18 1gkg s VAL 974 CO 0.19 -0.29 0.20 -1.00 -3.33 0.00 0.00 175.10 170.87 1gkg s HIS 975 N -2.12 3.60 -1.09 1.54 3.76 0.13 -4.96 115.29 116.15 1gkg s HIS 975 Ca 0.55 -2.52 -0.22 0.00 -0.15 0.00 0.00 55.06 52.72 1gkg s HIS 975 Cb -0.10 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1gkg s HIS 975 CO 0.20 -0.96 1.74 0.08 -0.85 0.00 0.00 174.74 174.96 1gkg s VAL 976 N 1.02 3.77 0.00 -0.90 1.01 -1.26 -2.35 120.40 121.69 1gkg s VAL 976 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1gkg s VAL 976 Cb -0.22 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1gkg s VAL 976 CO -0.05 -1.52 0.00 -0.38 0.00 0.00 0.00 175.10 173.16 1gkg n ILE 977 N 7.21 0.00 0.23 2.22 5.41 -1.26 -4.73 119.36 128.44 1gkg n ILE 977 Ca 0.41 0.10 -0.09 0.00 1.00 0.00 0.00 62.75 64.17 1gkg n ILE 977 Cb 0.48 -0.36 -0.04 0.00 -0.71 0.00 0.00 39.64 39.01 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 -1.89 -3.49 112.91 110.27 1gkg h THR 978 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 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 -3.70 3.29 0.00 5.36 9.92 -1.26 -5.05 116.55 125.10 1gkg n ASP 979 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1gkg n ASP 979 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1gkg n ILE 980 N 0.00 0.00 -1.36 0.53 -5.35 -1.26 -4.64 119.36 107.27 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 0.02 0.20 0.00 -1.74 0.00 0.00 39.64 38.12 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 0.00 -0.26 0.47 6.28 -0.21 -1.26 -2.74 119.66 121.94 1gkg s GLN 981 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 55.36 55.14 1gkg s GLN 981 Cb 0.00 -1.71 -0.13 0.00 1.00 0.00 0.00 33.01 32.18 1gkg s GLN 981 CO 0.00 -3.08 0.30 0.28 -2.12 0.00 0.00 175.29 170.68 1gkg n VAL 982 N -4.31 1.28 0.00 1.09 0.31 -0.26 -1.57 118.33 114.86 1gkg n VAL 982 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1gkg n VAL 982 Cb 0.59 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 2.05 1.39 3.76 2.92 0.00 -0.67 -4.92 105.19 109.72 1gkg n GLY 983 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gkg s SER 984 N 0.00 4.41 -0.11 1.61 0.15 -0.61 -4.73 113.70 114.43 1gkg s SER 984 Ca 0.00 1.92 -0.04 0.00 0.70 0.00 0.00 55.95 58.53 1gkg s SER 984 Cb 0.00 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1gkg s SER 984 CO 0.00 -2.10 0.21 -0.60 1.20 0.00 0.00 173.24 171.95 1gkg s ARG 985 N -4.69 0.10 0.00 5.44 3.52 -1.26 -0.33 118.95 121.73 1gkg s ARG 985 Ca 0.63 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 1gkg s ARG 985 Cb -0.19 -0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.05 1gkg s ARG 985 CO 0.53 -0.29 0.00 0.44 -0.81 0.00 0.00 175.30 175.18 1gkg n ILE 986 N 5.26 0.00 -3.67 4.11 -5.35 -0.75 -4.35 119.36 114.61 1gkg n ILE 986 Ca -0.07 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.33 1gkg n ILE 986 Cb 0.50 -1.14 -0.09 0.00 -1.74 0.00 0.00 39.64 37.16 1gkg n ILE 986 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1gkg s THR 987 N 0.90 -0.42 0.24 7.28 -4.23 -0.99 -2.76 115.64 115.66 1gkg s THR 987 Ca 0.00 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1gkg s THR 987 Cb 0.00 -0.70 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 1gkg s THR 987 CO 0.00 0.05 0.46 -0.31 -0.54 0.00 0.00 174.62 174.28 1gkg s TYR 988 N 2.16 3.48 -0.19 3.99 1.51 -0.28 0.18 117.35 128.19 1gkg s TYR 988 Ca -0.05 0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 56.39 1gkg s TYR 988 Cb -0.10 -1.97 0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1gkg s TYR 988 CO -0.14 0.29 0.45 -1.54 -1.11 0.00 0.00 175.55 173.50 1gkg s SER 989 N -3.14 -0.53 0.34 2.29 1.04 -0.97 -4.69 113.70 108.05 1gkg s SER 989 Ca 0.41 1.01 -0.20 0.00 0.48 0.00 0.00 55.95 57.65 1gkg s SER 989 Cb -0.11 1.02 -0.10 0.00 0.10 0.00 0.00 66.02 66.93 1gkg s SER 989 CO 0.29 -0.21 0.84 0.00 0.98 0.00 0.00 173.24 175.14 1gkg s THR 991 N -1.91 2.27 0.25 0.00 -4.23 -1.26 -4.88 115.64 105.88 1gkg s THR 991 Ca 0.54 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.86 1gkg s THR 991 Cb -0.12 -2.40 -0.15 0.00 1.34 0.00 0.00 72.50 71.17 1gkg s THR 991 CO 0.18 -0.10 1.02 0.41 -0.54 0.00 0.00 174.62 175.58 1gkg n THR 992 N -3.57 1.66 0.00 3.99 -1.04 -1.26 -2.10 114.28 111.96 1gkg n THR 992 Ca 0.12 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1gkg n THR 992 Cb 0.51 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkg n GLY 993 N 1.53 2.67 3.73 3.41 0.00 -1.26 -5.02 105.19 110.26 1gkg n GLY 993 Ca 0.12 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.65 3.74 -0.22 1.61 4.02 -0.89 -4.84 115.29 118.05 1gkg s HIS 994 Ca 0.00 1.61 -0.27 0.00 1.02 0.00 0.00 55.06 57.42 1gkg s HIS 994 Cb 0.00 -2.95 0.00 0.00 -1.02 0.00 0.00 32.58 28.61 1gkg s HIS 994 CO 0.00 0.19 0.94 0.50 1.02 0.00 0.00 174.74 177.39 1gkg s ARG 995 N 0.21 4.24 0.04 1.40 3.52 -0.71 -4.70 118.95 122.96 1gkg s ARG 995 Ca 0.44 1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 56.91 1gkg s ARG 995 Cb -0.21 -3.63 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1gkg s ARG 995 CO 0.26 -0.54 1.61 -1.17 -0.81 0.00 0.00 175.30 174.65 1gkg s LEU 996 N 2.90 4.35 0.01 -0.88 2.96 -1.26 -0.26 118.68 126.50 1gkg s LEU 996 Ca 0.40 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.73 1gkg s LEU 996 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1gkg s LEU 996 CO 0.08 -0.86 0.01 -0.63 -1.32 0.00 0.00 176.35 173.62 1gkg s ILE 997 N 2.77 4.16 0.09 6.68 -1.09 0.16 -4.91 121.20 129.06 1gkg s ILE 997 Ca 0.72 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1gkg s ILE 997 Cb -0.38 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 1gkg s ILE 997 CO 0.31 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 1gkg n GLY 998 N 1.25 -2.08 3.69 6.18 0.00 -1.26 -1.96 105.19 111.01 1gkg n GLY 998 Ca -0.14 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.24 3.18 0.05 1.61 3.76 -1.26 -4.89 115.29 115.49 1gkg s HIS 999 Ca 0.00 1.19 -0.21 0.00 -0.15 0.00 0.00 55.06 55.89 1gkg s HIS 999 Cb 0.00 -3.44 -0.13 0.00 1.11 0.00 0.00 32.58 30.12 1gkg s HIS 999 CO 0.00 -1.40 1.41 0.66 -0.85 0.00 0.00 174.74 174.56 1gkg h SER 1000N 7.44 0.33 -3.76 1.40 4.64 -1.87 -3.42 113.55 118.32 1gkg h SER 1000Ca -0.35 -0.40 -0.50 0.00 -0.47 0.00 0.00 61.79 60.07 1gkg h SER 1000Cb 1.17 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1gkg h SER 1000CO 0.88 0.66 0.40 -0.94 -0.87 0.00 0.00 176.83 176.96 1gkg s SER 1001N -5.97 7.51 -0.22 4.97 1.04 -1.26 -1.12 113.70 118.65 1gkg s SER 1001Ca -0.14 2.06 -0.11 0.00 0.48 0.00 0.00 55.95 58.24 1gkg s SER 1001Cb 0.06 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.64 1gkg s SER 1001CO 0.74 0.04 0.51 0.00 0.98 0.00 0.00 173.24 175.51 1gkg s ALA 1002N -1.12 -1.37 -0.16 5.32 0.00 -1.11 -4.89 121.76 118.42 1gkg s ALA 1002Ca 0.43 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 54.11 1gkg s ALA 1002Cb -0.28 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1gkg s ALA 1002CO 0.35 -0.43 0.22 -2.00 0.00 0.00 0.00 175.76 173.90 1gkg s GLU 1003N 1.78 4.09 -0.73 0.00 2.12 -1.26 -1.81 118.70 122.88 1gkg s GLU 1003Ca -0.08 -0.04 -0.26 0.00 0.36 0.00 0.00 54.97 54.95 1gkg s GLU 1003Cb -0.08 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.87 1gkg s GLU 1003CO -0.15 0.37 2.07 0.00 -0.54 0.00 0.00 175.26 177.00 1gkg n ILE 1005N 7.85 0.00 -3.68 0.00 -5.35 -0.42 -1.68 119.36 116.09 1gkg n ILE 1005Ca 0.35 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.72 1gkg n ILE 1005Cb 0.49 -0.88 -0.11 0.00 -1.74 0.00 0.00 39.64 37.39 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 -0.26 -0.12 7.28 1.98 -1.26 -2.41 118.68 123.89 1gkg s LEU 1006Ca 0.00 0.81 -0.27 0.00 -2.89 0.00 0.00 54.13 51.78 1gkg s LEU 1006Cb 0.00 1.11 -0.27 0.00 0.66 0.00 0.00 46.19 47.69 1gkg s LEU 1006CO 0.00 -0.21 0.78 -1.28 -1.89 0.00 0.00 176.35 173.74 1gkg h SER 1007N 7.77 0.13 0.00 3.68 0.87 -1.88 -3.48 113.55 120.64 1gkg h SER 1007Ca -0.25 -0.97 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 1gkg h SER 1007Cb 1.14 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1gkg h SER 1007CO 0.21 1.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.26 1gkg n GLY 1008N 1.62 -1.18 1.19 5.77 0.00 -1.26 -5.04 105.19 106.29 1gkg n GLY 1008Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.90 0.22 -4.83 1.61 5.03 -1.26 -5.06 115.26 108.06 1gkg n ASN 1009Ca 0.00 0.05 -0.36 0.00 0.87 0.00 0.00 54.58 55.14 1gkg n ASN 1009Cb 0.00 -0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.65 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1gkg s THR 1010N -2.00 4.76 0.38 3.41 2.01 -1.26 -5.00 115.64 117.94 1gkg s THR 1010Ca 0.00 0.99 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1gkg s THR 1010Cb 0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 1gkg s THR 1010CO 0.00 0.26 1.05 0.00 -0.69 0.00 0.00 174.62 175.25 1gkg s ALA 1011N -1.45 3.14 -0.12 7.40 0.00 -1.26 -3.55 121.76 125.93 1gkg s ALA 1011Ca 0.38 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1gkg s ALA 1011Cb -0.16 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1gkg s ALA 1011CO 0.20 -0.19 0.33 -1.01 0.00 0.00 0.00 175.76 175.08 1gkg s HIS 1012N -1.58 -0.35 0.24 0.00 3.76 -1.01 -4.36 115.29 111.98 1gkg s HIS 1012Ca 0.55 0.84 -0.30 0.00 -0.15 0.00 0.00 55.06 56.01 1gkg s HIS 1012Cb -0.23 0.12 -0.09 0.00 1.11 0.00 0.00 32.58 33.48 1gkg s HIS 1012CO 0.29 -0.19 1.34 -1.58 -0.85 0.00 0.00 174.74 173.75 1gkg s TRP 1013N 0.07 3.17 0.60 1.40 0.52 -1.26 -1.30 118.94 122.14 1gkg s TRP 1013Ca -0.01 1.21 0.29 0.00 0.02 0.00 0.00 56.10 57.61 1gkg s TRP 1013Cb -0.03 -3.67 1.48 0.00 -1.15 0.00 0.00 33.47 30.11 1gkg s TRP 1013CO 0.01 -2.05 1.89 0.77 0.02 0.00 0.00 176.95 177.58 1gkg h SER 1014N 4.90 0.00 -3.90 2.95 0.02 -1.79 -3.40 113.55 112.32 1gkg h SER 1014Ca -0.46 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.09 1gkg h SER 1014Cb 1.22 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.46 1gkg h SER 1014CO 0.75 0.00 -0.78 0.42 -1.14 0.00 0.00 176.83 176.08 1gkg s THR 1015N -4.51 0.71 0.63 -2.27 -4.23 -1.26 -5.05 115.64 99.66 1gkg s THR 1015Ca -0.04 -0.35 -0.18 0.00 -1.18 0.00 0.00 61.69 59.94 1gkg s THR 1015Cb 0.14 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.32 1gkg s THR 1015CO 0.49 0.22 1.05 2.29 -0.54 0.00 0.00 174.62 178.13 1gkg n LYS 1016N 3.12 0.91 -1.65 3.99 2.85 -1.26 -4.78 118.16 121.34 1gkg n LYS 1016Ca -0.16 0.36 -0.59 0.00 -1.05 0.00 0.00 58.31 56.87 1gkg n LYS 1016Cb 0.55 -2.27 -0.08 0.00 -0.65 0.00 0.00 35.03 32.58 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1gkg n PRO 1017N -1.34 0.82 -1.61 -1.58 -0.02 -1.26 -4.82 135.00 125.18 1gkg n PRO 1017Ca 0.15 0.29 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1gkg n PRO 1017Cb 0.48 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 5.64 1.51 -4.60 0.52 -0.02 -1.26 -4.99 135.00 131.81 1gkg n PRO 1018Ca 0.32 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 1gkg n PRO 1018Cb 0.09 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.78 3.76 -0.19 4.25 -1.16 -0.83 -4.52 121.20 121.73 1gkg s ILE 1019Ca 0.62 -0.45 -0.12 0.00 -0.51 0.00 0.00 60.65 60.18 1gkg s ILE 1019Cb -0.70 -2.55 -0.05 0.00 0.61 0.00 0.00 42.46 39.77 1gkg s ILE 1019CO 0.58 0.60 0.24 0.00 -2.81 0.00 0.00 174.94 173.54 1gkg s GLN 1021N 0.60 4.39 0.44 0.00 2.00 0.64 -4.90 119.66 122.83 1gkg s GLN 1021Ca 0.13 1.21 0.21 0.00 -2.00 0.00 0.00 55.36 54.91 1gkg s GLN 1021Cb -0.13 -3.54 1.04 0.00 0.80 0.00 0.00 33.01 31.19 1gkg s GLN 1021CO 0.02 -0.27 1.91 -0.09 -0.50 0.00 0.00 175.29 176.37 1gkg h ARG 1022N 7.13 0.00 -5.57 1.67 9.65 -1.93 -1.88 114.38 123.44 1gkg h ARG 1022Ca -0.32 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.32 1gkg h ARG 1022Cb 1.15 0.00 0.15 0.00 -1.39 0.00 0.00 29.97 29.88 1gkg h ARG 1022CO 0.83 0.25 -0.76 -0.89 2.80 0.00 0.00 179.97 182.20 1gkg n ILE 1023N -3.72 -8.79 -2.05 1.20 5.41 -1.26 -4.49 119.36 105.67 1gkg n ILE 1023Ca -0.01 -1.13 -0.41 0.00 1.00 0.00 0.00 62.75 62.20 1gkg n ILE 1023Cb 0.36 -6.23 -0.02 0.00 -0.71 0.00 0.00 39.64 33.03 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 -4.44 4.30 0.11 0.38 0.04 -1.26 -3.95 135.00 130.19 1gkg s PRO 1024Ca 0.39 2.28 -0.19 0.00 0.04 0.00 0.00 61.00 63.52 1gkg s PRO 1024Cb -0.07 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 1gkg s PRO 1024CO 0.76 -0.30 0.61 0.00 0.04 0.00 0.00 177.00 178.11 1gkg n GLY 1026N 1.46 -0.33 3.79 0.00 0.00 -0.81 -2.96 105.19 106.33 1gkg n GLY 1026Ca -0.08 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1gkg n GLY 1026CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkg s LEU 1027N 0.00 3.40 0.77 0.99 1.43 -1.26 -4.81 118.68 119.19 1gkg s LEU 1027Ca 0.00 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.84 1gkg s LEU 1027Cb 0.00 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1gkg s LEU 1027CO 0.00 -1.45 1.07 -2.65 0.23 0.00 0.00 176.35 173.55 1gkg n PRO 1028N -2.37 0.37 0.24 1.29 -0.02 -1.26 -4.81 135.00 128.44 1gkg n PRO 1028Ca 0.09 0.19 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1gkg n PRO 1028Cb 0.52 -2.32 0.50 0.00 -0.02 0.00 0.00 33.50 32.18 1gkg n PRO 1028CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1gkg h PRO 1029N -0.55 0.00 -5.73 0.52 0.11 -2.00 -3.46 132.00 120.89 1gkg h PRO 1029Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1gkg h PRO 1029Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1gkg h PRO 1029CO 0.46 0.00 -0.88 0.25 -0.21 0.00 0.00 178.00 177.63 1gkg n THR 1030N -2.41 -6.55 -2.74 -1.15 -2.24 -1.26 -4.85 114.28 93.08 1gkg n THR 1030Ca -0.01 1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 62.55 1gkg n THR 1030Cb 0.41 -4.59 -0.04 0.00 -2.10 0.00 0.00 70.33 64.02 1gkg n THR 1030CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1gkg s ILE 1031N -0.82 4.19 0.00 2.28 -4.36 -1.26 -4.93 121.20 116.31 1gkg s ILE 1031Ca -0.07 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.69 1gkg s ILE 1031Cb 0.00 -4.66 0.00 0.00 1.25 0.00 0.00 42.46 39.06 1gkg s ILE 1031CO 0.36 -1.32 0.00 0.00 0.24 0.00 0.00 174.94 174.22 1gkg n ALA 1032N 8.01 0.00 -0.58 2.27 0.00 -1.26 -0.06 120.51 128.89 1gkg n ALA 1032Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1gkg n ALA 1032Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 5.23 -0.54 0.00 3.02 -1.26 -4.85 115.26 115.52 1gkg n ASN 1033Ca 0.00 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1gkg n ASN 1033Cb 0.00 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 1034N 1.68 -2.55 0.00 7.41 0.00 0.91 -0.27 105.19 112.38 1gkg n GLY 1034Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1gkg n GLY 1034CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gkg n ASP 1035N 0.00 0.00 -3.66 1.61 2.03 -1.26 -1.23 116.55 114.03 1gkg n ASP 1035Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1gkg n ASP 1035Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1gkg n ASP 1035CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1gkg s PHE 1036N -2.58 -0.94 -0.41 -0.67 5.36 -1.24 -4.45 117.98 113.05 1gkg s PHE 1036Ca 0.00 1.82 0.07 0.00 -0.96 0.00 0.00 56.93 57.86 1gkg s PHE 1036Cb 0.00 0.50 0.24 0.00 -0.34 0.00 0.00 43.02 43.43 1gkg s PHE 1036CO 0.00 -0.50 0.59 -0.89 -1.46 0.00 0.00 175.22 172.96 1gkg n ILE 1037N 4.76 -0.58 0.00 3.12 -0.00 0.33 -4.90 119.36 122.09 1gkg n ILE 1037Ca -0.17 -3.48 0.00 0.00 -0.00 0.00 0.00 62.75 59.10 1gkg n ILE 1037Cb 0.54 -1.26 0.00 0.00 -0.00 0.00 0.00 39.64 38.91 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1gkg n SER 1038N 1.52 0.00 -3.61 4.38 2.88 -1.26 -3.92 113.62 113.61 1gkg n SER 1038Ca 0.19 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.49 1gkg n SER 1038Cb 0.55 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.84 1gkg n SER 1038CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gkg s THR 1039N 2.02 -0.12 0.00 2.46 -4.23 -0.83 -5.00 115.64 109.94 1gkg s THR 1039Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1gkg s THR 1039Cb 0.00 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1gkg s THR 1039CO 0.00 -0.20 0.00 -0.46 -0.54 0.00 0.00 174.62 173.42 1gkg n ASN 1040N 5.29 0.00 -3.56 3.99 0.23 -1.26 -3.66 115.26 116.28 1gkg n ASN 1040Ca -0.06 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.92 1gkg n ASN 1040Cb 0.49 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.11 1gkg n ASN 1040CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1gkg s ARG 1041N -0.03 0.37 0.00 -3.83 0.52 -1.26 -5.03 118.95 109.68 1gkg s ARG 1041Ca 0.00 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1gkg s ARG 1041Cb 0.00 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1gkg s ARG 1041CO 0.00 -0.35 0.00 0.39 0.02 0.00 0.00 175.30 175.36 1gkg n GLU 1042N 5.39 0.00 -0.94 3.54 4.71 -1.26 -4.30 120.64 127.78 1gkg n GLU 1042Ca -0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.74 1gkg n GLU 1042Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.89 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1gkg n ASN 1043N 0.39 3.36 -4.74 1.62 3.02 -1.26 -4.92 115.26 112.75 1gkg n ASN 1043Ca 0.00 -2.52 -0.41 0.00 -0.03 0.00 0.00 54.58 51.62 1gkg n ASN 1043Cb 0.00 -1.08 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1gkg s PHE 1044N 4.40 3.66 0.00 3.10 0.40 -1.26 -5.02 117.98 123.25 1gkg s PHE 1044Ca 0.49 1.66 0.00 0.00 -0.60 0.00 0.00 56.93 58.48 1gkg s PHE 1044Cb 0.12 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1gkg s PHE 1044CO 0.06 -0.37 0.00 0.72 0.70 0.00 0.00 175.22 176.33 1gkg n HIS 1045N 2.44 -0.05 -1.74 0.36 8.25 -1.16 -4.24 115.22 119.09 1gkg n HIS 1045Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1gkg n HIS 1045Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 2.68 -2.00 4.41 9.36 -1.25 -2.67 117.16 127.68 1gkg n TYR 1046Ca 0.00 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1gkg n TYR 1046Cb 0.00 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.22 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 0.82 -5.15 0.00 2.98 0.00 -1.26 -4.88 105.19 97.70 1gkg n GLY 1047Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.42 0.00 -4.85 1.61 3.41 -1.26 -4.87 113.62 109.08 1gkg n SER 1048Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1gkg n SER 1048Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.00 5.08 -0.04 -3.33 1.01 -1.24 -1.86 120.40 120.03 1gkg s VAL 1049Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1gkg s VAL 1049Cb 0.00 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1gkg s VAL 1049CO 0.00 0.28 0.02 0.54 0.00 0.00 0.00 175.10 175.94 1gkg s VAL 1050N -1.32 0.09 -0.31 2.92 0.11 -0.85 -1.96 120.40 119.08 1gkg s VAL 1050Ca 0.27 0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.41 1gkg s VAL 1050Cb -0.12 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1gkg s VAL 1050CO 0.19 0.16 0.20 -0.89 -3.33 0.00 0.00 175.10 171.43 1gkg s THR 1051N 1.41 5.13 0.06 5.04 2.01 -1.25 -2.06 115.64 125.97 1gkg s THR 1051Ca -0.04 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1gkg s THR 1051Cb -0.13 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1gkg s THR 1051CO -0.03 0.11 0.80 -0.31 -0.69 0.00 0.00 174.62 174.51 1gkg s TYR 1052N 1.71 3.75 0.00 4.92 1.51 0.16 -0.51 117.35 128.89 1gkg s TYR 1052Ca 0.06 1.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.73 1gkg s TYR 1052Cb -0.17 -2.86 0.13 0.00 -0.11 0.00 0.00 41.96 38.95 1gkg s TYR 1052CO 0.10 0.27 0.95 0.54 -1.11 0.00 0.00 175.55 176.29 1gkg n ARG 1053N 2.77 0.00 -1.57 -0.62 1.74 -1.26 -4.72 116.66 113.00 1gkg n ARG 1053Ca -0.02 -1.09 0.02 0.00 -0.77 0.00 0.00 57.85 55.99 1gkg n ARG 1053Cb 0.50 -0.04 -0.01 0.00 -1.02 0.00 0.00 32.46 31.89 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gkg n ASN 1055N -2.77 2.15 -3.23 0.00 2.85 0.63 -4.48 115.26 110.41 1gkg n ASN 1055Ca -0.01 -1.53 -0.12 0.00 -0.11 0.00 0.00 54.58 52.81 1gkg n ASN 1055Cb 0.49 -0.45 -0.04 0.00 1.24 0.00 0.00 39.78 41.02 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1gkg n LEU 1056N 1.72 -0.35 0.00 1.20 7.99 -1.26 0.59 117.00 126.90 1gkg n LEU 1056Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.51 1gkg n LEU 1056Cb 0.21 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1gkg n LEU 1056CO 0.00 0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.68 1gkg n GLY 1057N -1.59 0.69 0.00 -0.72 0.00 -1.21 -2.62 105.19 99.74 1gkg n GLY 1057Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1gkg n GLY 1057CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gkg n SER 1058N 1.37 0.00 0.00 1.61 2.88 0.20 -5.01 113.62 114.67 1gkg n SER 1058Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1gkg n SER 1058Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1gkg n SER 1058CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1gkg n ARG 1059N -0.68 0.00 -3.73 -1.46 0.00 -1.17 -5.04 116.66 104.58 1gkg n ARG 1059Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1gkg n ARG 1059Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.38 1gkg n ARG 1059CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1gkg s GLY 1060N -0.73 -0.22 0.06 2.89 0.00 -1.08 -4.82 107.32 103.43 1gkg s GLY 1060Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1gkg s GLY 1060CO 0.00 0.28 0.00 -2.13 0.00 0.00 0.00 173.10 171.25 1gkg n ARG 1061N 1.32 -2.37 -2.43 2.90 0.63 -1.25 -4.53 116.66 110.93 1gkg n ARG 1061Ca -0.21 1.98 -0.37 0.00 -0.92 0.00 0.00 57.85 58.33 1gkg n ARG 1061Cb 0.56 -2.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.40 1gkg n ARG 1061CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1gkg s LYS 1062N -1.76 4.02 0.00 -0.14 2.20 -1.26 -3.31 119.74 119.49 1gkg s LYS 1062Ca 0.00 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1gkg s LYS 1062Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1gkg s LYS 1062CO 0.00 -0.30 0.00 1.33 -0.36 0.00 0.00 175.35 176.02 1gkg n VAL 1063N -0.21 0.00 0.17 4.02 0.24 -1.26 -4.83 118.33 116.47 1gkg n VAL 1063Ca 0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 1gkg n VAL 1063Cb 0.49 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 33.11 1gkg n VAL 1063CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1gkg h PHE 1064N 0.00 0.00 -4.51 6.34 -1.00 -1.91 -3.48 116.94 112.38 1gkg h PHE 1064Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1gkg h PHE 1064Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1gkg h PHE 1064CO 0.00 0.44 -0.93 0.39 -1.61 0.00 0.00 178.31 176.60 1gkg n GLU 1065N -3.49 -5.01 -2.34 1.51 -0.58 -1.26 0.40 120.64 109.86 1gkg n GLU 1065Ca 0.00 3.65 -0.35 0.00 -0.42 0.00 0.00 57.16 60.04 1gkg n GLU 1065Cb 0.57 -4.44 -0.01 0.00 -0.57 0.00 0.00 31.44 26.99 1gkg n GLU 1065CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1gkg s LEU 1066N -0.56 3.82 -0.02 -4.62 1.98 -1.26 -2.32 118.68 115.70 1gkg s LEU 1066Ca 0.00 2.12 0.04 0.00 -2.89 0.00 0.00 54.13 53.40 1gkg s LEU 1066Cb 0.00 -4.53 -0.01 0.00 0.66 0.00 0.00 46.19 42.32 1gkg s LEU 1066CO 0.00 -1.05 -0.13 -0.69 -1.89 0.00 0.00 176.35 172.59 1gkg s VAL 1067N -1.79 1.07 0.00 1.68 1.01 -0.03 -4.93 120.40 117.41 1gkg s VAL 1067Ca 0.70 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1gkg s VAL 1067Cb -0.22 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1gkg s VAL 1067CO 0.26 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1gkg n GLY 1068N 2.90 -0.56 3.62 4.51 0.00 -1.26 -1.78 105.19 112.62 1gkg n GLY 1068Ca -0.15 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1gkg n GLY 1068CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gkg s GLU 1069N 0.00 3.73 -0.08 1.61 -1.05 -1.26 -4.89 118.70 116.77 1gkg s GLU 1069Ca 0.00 1.39 0.02 0.00 -0.15 0.00 0.00 54.97 56.23 1gkg s GLU 1069Cb 0.00 -4.01 0.18 0.00 -0.44 0.00 0.00 34.13 29.86 1gkg s GLU 1069CO 0.00 -1.36 0.98 -0.35 0.95 0.00 0.00 175.26 175.48 1gkg n PRO 1070N 7.73 1.64 -3.62 -4.83 -0.04 -1.26 -3.80 135.00 130.82 1gkg n PRO 1070Ca 0.18 -0.72 -0.15 0.00 -0.04 0.00 0.00 63.50 62.77 1gkg n PRO 1070Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.10 -0.69 0.25 3.54 0.15 -1.26 0.35 113.70 116.15 1gkg s SER 1071Ca 0.13 1.22 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1gkg s SER 1071Cb 0.10 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.60 1gkg s SER 1071CO 0.03 -0.31 0.24 2.30 1.20 0.00 0.00 173.24 176.71 1gkg n ILE 1072N 2.34 0.00 -3.51 6.45 -5.35 -0.88 -4.97 119.36 113.45 1gkg n ILE 1072Ca -0.15 -1.70 -0.17 0.00 -0.27 0.00 0.00 62.75 60.46 1gkg n ILE 1072Cb 0.56 0.88 -0.06 0.00 -1.74 0.00 0.00 39.64 39.29 1gkg n ILE 1072CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1gkg s TYR 1073N -3.10 -0.64 0.60 4.28 -0.85 -1.26 -2.00 117.35 114.38 1gkg s TYR 1073Ca 0.28 1.03 -0.19 0.00 -0.52 0.00 0.00 57.07 57.67 1gkg s TYR 1073Cb 0.01 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1gkg s TYR 1073CO 0.20 -0.63 1.28 0.00 -1.52 0.00 0.00 175.55 174.88 1gkg n THR 1075N -1.58 0.00 -3.41 0.00 5.66 -1.23 -4.38 114.28 109.35 1gkg n THR 1075Ca 0.14 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.96 1gkg n THR 1075Cb 0.48 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.33 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 -0.37 -3.86 -0.19 1.09 7.64 -1.05 -4.93 113.62 111.96 1gkg n SER 1076Ca 0.00 -0.70 -0.08 0.00 1.01 0.00 0.00 58.87 59.10 1gkg n SER 1076Cb 0.00 -4.95 0.02 0.00 -1.01 0.00 0.00 64.21 58.27 1gkg n SER 1076CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gkg h ASN 1077N -1.59 0.77 0.00 6.43 -0.00 -1.86 -3.38 115.58 115.96 1gkg h ASN 1077Ca -0.60 -0.20 0.00 0.00 -0.00 0.00 0.00 56.30 55.50 1gkg h ASN 1077Cb 1.33 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.45 1gkg h ASN 1077CO 0.48 0.76 0.00 0.47 -0.00 0.00 0.00 177.43 179.14 1gkg n ASP 1078N -4.48 0.00 0.00 6.14 9.92 -1.26 -5.10 116.55 121.77 1gkg n ASP 1078Ca 0.02 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1gkg n ASP 1078Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1gkg n ASP 1079N -0.36 2.31 -0.11 -2.24 5.68 -1.26 -4.97 116.55 115.60 1gkg n ASP 1079Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1gkg n ASP 1079Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gkg n GLN 1080N 0.00 0.42 -0.11 0.11 6.02 -1.26 -3.28 117.38 119.28 1gkg n GLN 1080Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1gkg n GLN 1080Cb 0.00 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg h VAL 1081N 0.00 1.29 -1.05 5.09 2.07 -1.93 -3.46 116.25 118.25 1gkg h VAL 1081Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1gkg h VAL 1081Cb 0.05 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1gkg h VAL 1081CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1gkg n GLY 1082N -0.09 0.86 3.78 2.17 0.00 -1.20 -4.55 105.19 106.15 1gkg n GLY 1082Ca -0.03 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkg s ILE 1083N -2.85 4.28 0.00 -0.61 1.01 -1.26 -1.93 121.20 119.84 1gkg s ILE 1083Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1gkg s ILE 1083Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1gkg s ILE 1083CO 0.00 0.33 0.00 0.79 0.00 0.00 0.00 174.94 176.06 1gkg n TRP 1084N 1.06 -1.50 0.24 3.97 7.02 -1.26 -2.54 117.44 124.43 1gkg n TRP 1084Ca -0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.37 1gkg n TRP 1084Cb 0.49 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.34 1gkg n TRP 1084CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1gkg h SER 1085N -0.38 -0.53 0.00 -0.99 4.64 -0.35 -3.40 113.55 112.55 1gkg h SER 1085Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1gkg h SER 1085Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gkg h SER 1085CO 0.00 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.27 1gkg n GLY 1086N -0.59 1.00 3.77 -0.77 0.00 -1.26 -5.01 105.19 102.34 1gkg n GLY 1086Ca -0.08 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 1gkg n GLY 1086CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gkg s PRO 1087N 0.00 4.18 0.03 1.61 0.02 -1.26 -4.81 135.00 134.76 1gkg s PRO 1087Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1gkg s PRO 1087Cb 0.00 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1gkg s PRO 1087CO 0.00 -0.38 0.00 0.00 -0.33 0.00 0.00 177.00 176.29 1gkg n ALA 1088N 0.52 0.00 -1.59 -1.55 0.00 -1.26 -5.14 120.51 111.50 1gkg n ALA 1088Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 1gkg n ALA 1088Cb 0.41 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.45 1.13 -3.71 0.00 -0.04 -1.25 -4.81 135.00 123.88 1gkg n PRO 1089Ca 0.00 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1gkg n PRO 1089Cb 0.00 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 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 -2.12 0.49 -0.22 0.54 0.74 -0.74 -4.84 119.66 113.52 1gkg s GLN 1090Ca 0.66 0.69 -0.18 0.00 0.05 0.00 0.00 55.36 56.57 1gkg s GLN 1090Cb -0.52 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.72 1gkg s GLN 1090CO 0.55 -0.09 0.52 0.00 -0.55 0.00 0.00 175.29 175.71