#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg n ALA 958 N 0.00 0.00 -3.86 0.62 0.00 -1.26 -5.02 120.51 110.99 1gkg n ALA 958 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1gkg n ALA 958 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1gkg n ALA 958 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gkg n GLU 959 N -1.07 -1.87 -4.22 0.00 0.28 -1.26 -0.88 120.64 111.62 1gkg n GLU 959 Ca 0.00 0.18 -0.36 0.00 -0.16 0.00 0.00 57.16 56.81 1gkg n GLU 959 Cb 0.00 -4.77 -0.06 0.00 1.43 0.00 0.00 31.44 28.04 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gkg n ALA 960 N -3.64 -1.18 -1.91 -1.84 0.00 -1.26 -4.12 120.51 106.55 1gkg n ALA 960 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1gkg n ALA 960 Cb 0.48 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1gkg n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gkg n LYS 961 N -3.91 -5.27 -3.65 0.00 3.00 -0.05 -4.47 118.16 103.80 1gkg n LYS 961 Ca 0.10 3.78 -0.11 0.00 -0.00 0.00 0.00 58.31 62.07 1gkg n LYS 961 Cb 0.46 -4.11 -0.08 0.00 0.00 0.00 0.00 35.03 31.31 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 -1.33 -0.76 0.32 3.14 1.04 -1.26 -2.87 113.70 111.98 1gkg s SER 962 Ca 0.00 1.33 -0.17 0.00 0.48 0.00 0.00 55.95 57.59 1gkg s SER 962 Cb 0.00 1.28 -0.09 0.00 0.10 0.00 0.00 66.02 67.31 1gkg s SER 962 CO 0.00 -0.23 0.77 0.00 0.98 0.00 0.00 173.24 174.77 1gkg s LYS 964 N -2.77 4.21 0.13 0.00 2.20 -1.26 -4.70 119.74 117.55 1gkg s LYS 964 Ca 0.53 2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 58.22 1gkg s LYS 964 Cb -0.12 -3.00 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1gkg s LYS 964 CO 0.18 -0.38 1.80 0.99 -0.36 0.00 0.00 175.35 177.58 1gkg s THR 965 N -1.14 2.48 -0.02 3.43 2.01 -1.26 -4.92 115.64 116.22 1gkg s THR 965 Ca 0.51 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 1gkg s THR 965 Cb -0.43 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1gkg s THR 965 CO 0.58 0.00 1.63 -2.84 -0.69 0.00 0.00 174.62 173.30 1gkg s PRO 966 N 2.46 4.19 0.19 4.92 0.02 -1.26 -4.97 135.00 140.55 1gkg s PRO 966 Ca 0.79 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.71 1gkg s PRO 966 Cb -0.46 -3.87 -0.09 0.00 0.02 0.00 0.00 34.50 30.10 1gkg s PRO 966 CO 0.35 -0.80 1.31 -1.25 -0.33 0.00 0.00 177.00 176.29 1gkg s PRO 967 N 3.60 4.38 -0.35 5.54 0.04 -1.26 -4.80 135.00 142.16 1gkg s PRO 967 Ca 0.73 2.05 -0.34 0.00 0.04 0.00 0.00 61.00 63.47 1gkg s PRO 967 Cb -0.34 -3.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.89 1gkg s PRO 967 CO 0.30 -0.27 2.22 -0.25 0.04 0.00 0.00 177.00 179.04 1gkg n ASP 968 N 2.77 2.24 -1.83 6.66 8.00 -1.26 -4.93 116.55 128.21 1gkg n ASP 968 Ca 0.07 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1gkg n ASP 968 Cb 0.43 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1gkg n PRO 969 N 8.32 2.88 -1.50 -0.24 -0.04 -1.26 -4.85 135.00 138.30 1gkg n PRO 969 Ca 0.40 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.70 1gkg n PRO 969 Cb 0.27 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.58 1gkg n PRO 969 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1gkg n VAL 970 N 0.00 0.00 -3.24 0.52 3.14 -1.26 -2.22 118.33 115.27 1gkg n VAL 970 Ca 0.00 -0.48 -0.19 0.00 -2.96 0.00 0.00 64.34 60.71 1gkg n VAL 970 Cb 0.00 -0.94 -0.02 0.00 -1.06 0.00 0.00 33.84 31.82 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1gkg n ASN 971 N 11.79 -2.62 0.03 6.55 3.02 -1.26 -3.23 115.26 129.53 1gkg n ASN 971 Ca 0.54 -0.24 -0.07 0.00 -0.03 0.00 0.00 54.58 54.78 1gkg n ASN 971 Cb 0.30 -2.24 -0.05 0.00 -0.61 0.00 0.00 39.78 37.18 1gkg n ASN 971 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1gkg h GLY 972 N -0.57 -0.18 -4.94 7.41 0.00 -1.71 -3.34 103.07 99.74 1gkg h GLY 972 Ca -0.33 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1gkg h GLY 972 CO 0.43 -0.07 -1.36 1.03 0.00 0.00 0.00 176.54 176.57 1gkg n MET 973 N -4.87 -4.10 -3.50 4.80 2.81 -1.26 -1.10 117.12 109.90 1gkg n MET 973 Ca -0.05 3.15 -0.36 0.00 -1.81 0.00 0.00 57.70 58.64 1gkg n MET 973 Cb 0.19 -5.00 -0.06 0.00 -0.71 0.00 0.00 33.22 27.64 1gkg n MET 973 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1gkg s VAL 974 N -0.92 5.02 -0.24 2.03 0.11 -1.25 0.45 120.40 125.60 1gkg s VAL 974 Ca -0.19 0.63 0.02 0.00 -2.93 0.00 0.00 61.98 59.51 1gkg s VAL 974 Cb 0.01 -3.68 0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1gkg s VAL 974 CO 0.76 0.34 -0.10 -1.00 -3.33 0.00 0.00 175.10 171.77 1gkg s HIS 975 N -1.34 2.88 -0.60 1.54 3.76 0.20 -4.91 115.29 116.82 1gkg s HIS 975 Ca 0.32 -2.01 -0.26 0.00 -0.15 0.00 0.00 55.06 52.96 1gkg s HIS 975 Cb -0.15 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 1gkg s HIS 975 CO 0.17 -0.83 2.00 0.08 -0.85 0.00 0.00 174.74 175.32 1gkg s VAL 976 N 1.24 3.27 0.00 -0.90 1.01 -1.26 -2.36 120.40 121.40 1gkg s VAL 976 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1gkg s VAL 976 Cb -0.19 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1gkg s VAL 976 CO -0.06 -0.69 0.00 -0.38 0.00 0.00 0.00 175.10 173.96 1gkg n ILE 977 N 7.44 0.00 0.36 2.22 2.08 -0.96 -4.70 119.36 125.80 1gkg n ILE 977 Ca 0.25 0.12 -0.14 0.00 0.56 0.00 0.00 62.75 63.53 1gkg n ILE 977 Cb 0.52 -0.35 -0.07 0.00 -0.75 0.00 0.00 39.64 38.99 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1gkg h THR 978 N 0.00 0.00 0.00 1.39 1.35 -1.87 -3.49 112.91 110.29 1gkg h THR 978 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 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 -5.28 0.00 0.00 5.36 -0.08 -1.26 -4.97 116.55 110.32 1gkg n ASP 979 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1gkg n ASP 979 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 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 -0.27 5.18 -5.35 -1.26 -4.36 119.36 113.30 1gkg n ILE 980 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1gkg n ILE 980 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -0.09 0.25 -1.55 6.28 10.64 -1.26 -3.69 117.38 127.96 1gkg n GLN 981 Ca 0.00 0.00 -0.48 0.00 -1.83 0.00 0.00 57.00 54.69 1gkg n GLN 981 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1gkg n GLN 981 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg n VAL 982 N -1.24 1.43 -1.11 -0.39 0.31 -1.14 -1.17 118.33 115.03 1gkg n VAL 982 Ca 0.00 -0.36 -0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1gkg n VAL 982 Cb 0.00 -0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 32.19 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 1.71 0.48 3.83 2.92 0.00 -0.82 -4.94 105.19 108.37 1gkg n GLY 983 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 3.72 -0.15 1.61 1.04 -0.31 -4.80 113.70 112.60 1gkg s SER 984 Ca 0.00 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 1gkg s SER 984 Cb 0.00 -1.30 0.04 0.00 0.10 0.00 0.00 66.02 64.86 1gkg s SER 984 CO 0.00 -2.41 0.40 -0.60 0.98 0.00 0.00 173.24 171.61 1gkg s ARG 985 N -5.45 0.45 0.26 4.02 3.00 -1.26 -2.16 118.95 117.82 1gkg s ARG 985 Ca 0.64 0.59 -0.01 0.00 -1.00 0.00 0.00 55.73 55.96 1gkg s ARG 985 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 34.98 1gkg s ARG 985 CO 0.52 -0.07 0.26 0.96 0.00 0.00 0.00 175.30 176.97 1gkg s ILE 986 N 0.42 0.00 -0.05 4.11 -4.36 -0.95 -2.28 121.20 118.10 1gkg s ILE 986 Ca -0.02 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1gkg s ILE 986 Cb -0.04 -2.48 0.03 0.00 1.25 0.00 0.00 42.46 41.22 1gkg s ILE 986 CO -0.02 0.00 0.01 0.42 0.24 0.00 0.00 174.94 175.59 1gkg s THR 987 N -3.80 0.24 -0.29 8.37 -4.23 -0.99 -2.52 115.64 112.41 1gkg s THR 987 Ca 0.36 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1gkg s THR 987 Cb 0.04 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1gkg s THR 987 CO 0.17 0.20 2.84 -1.22 -0.54 0.00 0.00 174.62 176.06 1gkg n TYR 988 N 4.67 1.09 0.00 3.99 4.02 0.11 0.62 117.16 131.65 1gkg n TYR 988 Ca -0.16 -1.78 0.00 0.00 -0.01 0.00 0.00 57.90 55.95 1gkg n TYR 988 Cb 0.50 -1.32 0.00 0.00 -0.02 0.00 0.00 39.34 38.50 1gkg n TYR 988 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1gkg n SER 989 N 1.25 0.00 -2.50 7.72 7.64 0.17 -4.30 113.62 123.59 1gkg n SER 989 Ca 0.42 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.29 1gkg n SER 989 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gkg s THR 991 N -2.94 2.02 0.00 0.00 -1.32 -1.25 -4.74 115.64 107.41 1gkg s THR 991 Ca 0.01 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1gkg s THR 991 Cb -0.00 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1gkg s THR 991 CO 0.49 -0.01 0.00 1.07 -2.21 0.00 0.00 174.62 173.96 1gkg n THR 992 N -2.98 0.00 -1.02 5.08 5.66 -1.26 -2.88 114.28 116.88 1gkg n THR 992 Ca 0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.01 1gkg n THR 992 Cb 0.50 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.11 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gkg n GLY 993 N 0.00 3.06 3.83 1.09 0.00 -1.26 -4.93 105.19 106.99 1gkg n GLY 993 Ca 0.00 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 0.95 3.35 -0.93 1.61 4.02 -1.14 -4.39 115.29 118.77 1gkg s HIS 994 Ca 0.67 1.43 -0.24 0.00 1.02 0.00 0.00 55.06 57.94 1gkg s HIS 994 Cb 0.32 -2.71 0.05 0.00 -1.02 0.00 0.00 32.58 29.22 1gkg s HIS 994 CO -0.01 -0.01 1.39 0.50 1.02 0.00 0.00 174.74 177.63 1gkg s ARG 995 N -3.05 3.46 -0.08 1.40 3.52 0.19 -4.84 118.95 119.55 1gkg s ARG 995 Ca 0.58 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 1gkg s ARG 995 Cb -0.10 -4.98 -0.03 0.00 -1.56 0.00 0.00 34.95 28.29 1gkg s ARG 995 CO 0.15 -2.18 1.18 -1.17 -0.81 0.00 0.00 175.30 172.47 1gkg s LEU 996 N 5.16 4.26 -0.11 -0.88 2.96 -1.26 -0.44 118.68 128.38 1gkg s LEU 996 Ca 0.42 1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 55.99 1gkg s LEU 996 Cb -0.03 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1gkg s LEU 996 CO -0.02 -0.59 0.21 -0.63 -1.32 0.00 0.00 176.35 174.00 1gkg s ILE 997 N 2.34 5.37 0.00 6.68 1.09 0.13 -4.87 121.20 131.94 1gkg s ILE 997 Ca 0.55 0.38 0.00 0.00 -1.10 0.00 0.00 60.65 60.47 1gkg s ILE 997 Cb -0.23 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1gkg s ILE 997 CO 0.20 0.56 0.00 0.61 -0.10 0.00 0.00 174.94 176.21 1gkg n GLY 998 N 2.31 2.46 3.18 6.18 0.00 -1.26 -2.10 105.19 115.95 1gkg n GLY 998 Ca -0.17 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -0.47 0.00 1.61 3.76 -1.26 -5.02 115.29 113.91 1gkg s HIS 999 Ca 0.00 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 1gkg s HIS 999 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1gkg s HIS 999 CO 0.00 -0.28 1.40 -1.13 -0.85 0.00 0.00 174.74 173.87 1gkg n SER 1000N 4.12 3.93 -3.63 1.40 3.41 -1.26 -4.60 113.62 116.99 1gkg n SER 1000Ca -0.23 -2.16 -0.12 0.00 -0.26 0.00 0.00 58.87 56.10 1gkg n SER 1000Cb 0.55 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkg s SER 1001N 1.40 -0.69 -0.24 4.04 1.04 -1.26 0.06 113.70 118.05 1gkg s SER 1001Ca 0.00 1.30 -0.26 0.00 0.48 0.00 0.00 55.95 57.47 1gkg s SER 1001Cb 0.00 1.31 0.07 0.00 0.10 0.00 0.00 66.02 67.51 1gkg s SER 1001CO 0.00 -0.22 0.73 0.00 0.98 0.00 0.00 173.24 174.73 1gkg s ALA 1002N 0.52 -1.79 -0.15 5.32 0.00 -1.05 -4.70 121.76 119.91 1gkg s ALA 1002Ca -0.01 1.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 1gkg s ALA 1002Cb -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1gkg s ALA 1002CO -0.04 -0.34 0.04 -1.83 0.00 0.00 0.00 175.76 173.59 1gkg s GLU 1003N 0.12 3.67 -1.07 0.00 -1.05 -1.26 -2.24 118.70 116.88 1gkg s GLU 1003Ca -0.02 -0.37 -0.23 0.00 -0.15 0.00 0.00 54.97 54.20 1gkg s GLU 1003Cb -0.04 -3.07 -0.05 0.00 -0.44 0.00 0.00 34.13 30.53 1gkg s GLU 1003CO 0.02 0.40 1.89 0.00 0.95 0.00 0.00 175.26 178.52 1gkg s ILE 1005N 9.67 4.89 -0.08 0.00 -4.36 -0.14 -1.94 121.20 129.25 1gkg s ILE 1005Ca 0.66 0.30 -0.13 0.00 -0.26 0.00 0.00 60.65 61.22 1gkg s ILE 1005Cb -0.03 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 39.81 1gkg s ILE 1005CO 0.05 -0.74 0.33 -0.76 0.24 0.00 0.00 174.94 174.06 1gkg s LEU 1006N -4.46 4.37 -0.28 0.37 2.01 -1.26 -1.46 118.68 117.97 1gkg s LEU 1006Ca 0.48 0.72 -0.17 0.00 0.01 0.00 0.00 54.13 55.17 1gkg s LEU 1006Cb -0.10 -2.43 0.10 0.00 0.01 0.00 0.00 46.19 43.76 1gkg s LEU 1006CO 0.41 0.25 0.77 -0.55 1.01 0.00 0.00 176.35 178.23 1gkg s SER 1007N -0.46 -0.82 -1.43 2.29 0.15 -0.93 -4.94 113.70 107.56 1gkg s SER 1007Ca 0.20 1.33 -0.09 0.00 0.70 0.00 0.00 55.95 58.09 1gkg s SER 1007Cb -0.15 1.34 0.03 0.00 -1.71 0.00 0.00 66.02 65.53 1gkg s SER 1007CO 0.08 -0.21 1.03 0.61 1.20 0.00 0.00 173.24 175.95 1gkg n GLY 1008N 3.99 -0.53 3.26 9.45 0.00 -1.26 -1.73 105.19 118.37 1gkg n GLY 1008Ca -0.19 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.88 -5.50 -3.70 1.61 5.03 -1.26 -4.97 115.26 103.59 1gkg n ASN 1009Ca -0.01 -0.39 -0.10 0.00 0.87 0.00 0.00 54.58 54.95 1gkg n ASN 1009Cb 0.56 -4.44 -0.11 0.00 -1.02 0.00 0.00 39.78 34.77 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 -3.15 -0.04 0.20 3.41 2.01 -0.71 -5.14 115.64 112.22 1gkg s THR 1010Ca 0.40 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1gkg s THR 1010Cb -0.19 -0.60 -0.08 0.00 0.01 0.00 0.00 72.50 71.65 1gkg s THR 1010CO 0.49 0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.55 1gkg s ALA 1011N 1.41 3.37 0.03 7.40 0.00 -1.26 -2.19 121.76 130.52 1gkg s ALA 1011Ca -0.09 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1gkg s ALA 1011Cb -0.09 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.78 1gkg s ALA 1011CO -0.13 -0.17 0.75 -3.38 0.00 0.00 0.00 175.76 172.83 1gkg s HIS 1012N -0.46 -0.49 -0.20 0.00 -3.43 -0.53 -4.25 115.29 105.94 1gkg s HIS 1012Ca 0.48 0.52 -0.29 0.00 -0.80 0.00 0.00 55.06 54.96 1gkg s HIS 1012Cb -0.30 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.35 1gkg s HIS 1012CO 0.36 -0.65 1.33 -1.58 -2.00 0.00 0.00 174.74 172.20 1gkg s TRP 1013N -2.67 2.68 0.64 0.38 0.52 -1.26 -0.96 118.94 118.26 1gkg s TRP 1013Ca -0.01 0.87 0.28 0.00 0.02 0.00 0.00 56.10 57.27 1gkg s TRP 1013Cb -0.01 -3.68 1.50 0.00 -1.15 0.00 0.00 33.47 30.14 1gkg s TRP 1013CO -0.05 -1.96 1.87 0.66 0.02 0.00 0.00 176.95 177.49 1gkg h SER 1014N 8.79 0.00 -0.46 2.95 4.64 -1.79 -0.31 113.55 127.37 1gkg h SER 1014Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1gkg h SER 1014Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1gkg h SER 1014CO 0.99 0.00 0.03 0.35 -0.87 0.00 0.00 176.83 177.33 1gkg n THR 1015N -3.20 2.60 -0.87 2.95 -2.24 -1.26 -5.04 114.28 107.21 1gkg n THR 1015Ca 0.02 -1.69 0.07 0.00 -2.27 0.00 0.00 64.05 60.19 1gkg n THR 1015Cb 0.52 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1gkg n THR 1015CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1gkg n LYS 1016N -0.01 -1.24 -1.71 -0.78 2.85 -0.13 -4.26 118.16 112.88 1gkg n LYS 1016Ca 0.27 0.97 -0.41 0.00 -1.05 0.00 0.00 58.31 58.09 1gkg n LYS 1016Cb 1.10 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1gkg s PRO 1017N -3.85 2.91 0.73 -1.58 0.02 -1.26 -4.74 135.00 127.23 1gkg s PRO 1017Ca 0.00 1.67 -0.10 0.00 0.02 0.00 0.00 61.00 62.59 1gkg s PRO 1017Cb 0.00 -4.38 0.05 0.00 0.02 0.00 0.00 34.50 30.19 1gkg s PRO 1017CO 0.00 -2.36 1.08 -1.25 -0.33 0.00 0.00 177.00 174.14 1gkg s PRO 1018N 6.68 2.35 -0.17 5.54 0.04 -1.26 -4.94 135.00 143.23 1gkg s PRO 1018Ca 0.93 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1gkg s PRO 1018Cb -0.26 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1gkg s PRO 1018CO 0.32 -1.26 0.32 0.96 0.04 0.00 0.00 177.00 177.38 1gkg s ILE 1019N -3.36 -0.50 -1.31 0.56 -4.36 -0.89 -4.85 121.20 106.49 1gkg s ILE 1019Ca 0.60 0.18 -0.12 0.00 -0.26 0.00 0.00 60.65 61.04 1gkg s ILE 1019Cb -0.11 -0.57 0.13 0.00 1.25 0.00 0.00 42.46 43.16 1gkg s ILE 1019CO 0.48 0.05 1.85 0.00 0.24 0.00 0.00 174.94 177.56 1gkg n GLN 1021N 5.22 -0.26 -3.66 0.00 10.64 0.42 -4.50 117.38 125.24 1gkg n GLN 1021Ca 0.43 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 55.23 1gkg n GLN 1021Cb 0.39 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 1gkg n GLN 1021CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1gkg s ARG 1022N -2.07 3.88 -0.57 2.61 1.70 -1.26 0.55 118.95 123.79 1gkg s ARG 1022Ca 0.00 0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 55.06 1gkg s ARG 1022Cb 0.00 -3.29 0.03 0.00 -0.57 0.00 0.00 34.95 31.12 1gkg s ARG 1022CO 0.00 0.55 1.24 0.42 -1.08 0.00 0.00 175.30 176.43 1gkg s ILE 1023N -0.47 3.98 0.24 4.99 1.01 -1.26 -4.56 121.20 125.12 1gkg s ILE 1023Ca 0.17 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 1gkg s ILE 1023Cb -0.14 -4.65 -0.10 0.00 0.01 0.00 0.00 42.46 37.59 1gkg s ILE 1023CO 0.06 -1.28 1.36 -2.16 0.00 0.00 0.00 174.94 172.93 1gkg s PRO 1024N 5.02 4.33 0.18 2.79 0.04 -1.26 -2.78 135.00 143.32 1gkg s PRO 1024Ca 0.46 2.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 1gkg s PRO 1024Cb -0.08 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1gkg s PRO 1024CO 0.26 -0.31 0.65 0.00 0.04 0.00 0.00 177.00 177.64 1gkg s GLY 1026N -1.60 1.65 0.60 0.00 0.00 -1.23 -4.27 107.32 102.47 1gkg s GLY 1026Ca 0.39 -0.86 -0.18 0.00 0.00 0.00 0.00 44.72 44.08 1gkg s GLY 1026CO 0.20 -0.17 0.84 1.04 0.00 0.00 0.00 173.10 175.01 1gkg n LEU 1027N -3.92 2.92 -4.33 0.66 4.77 -1.26 -4.96 117.00 110.87 1gkg n LEU 1027Ca 0.11 0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 56.57 1gkg n LEU 1027Cb 0.60 -1.33 0.28 0.00 -2.33 0.00 0.00 43.42 40.64 1gkg n LEU 1027CO 0.51 -2.22 0.40 -0.81 -1.33 0.00 0.00 177.39 173.94 1gkg n PRO 1028N -0.81 -3.75 0.00 3.23 -0.04 -1.26 -4.84 135.00 127.53 1gkg n PRO 1028Ca 0.13 -1.09 0.07 0.00 -0.04 0.00 0.00 63.50 62.57 1gkg n PRO 1028Cb 0.48 -2.03 0.40 0.00 -0.04 0.00 0.00 33.50 32.30 1gkg n PRO 1028CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1gkg n PRO 1029N -5.38 0.39 -1.53 0.54 -0.04 -1.26 -4.97 135.00 122.75 1gkg n PRO 1029Ca 0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1gkg n PRO 1029Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1gkg n PRO 1029CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1gkg n THR 1030N -1.04 -3.38 -3.43 0.52 -2.24 -1.26 -4.99 114.28 98.46 1gkg n THR 1030Ca 0.10 1.60 -0.09 0.00 -2.27 0.00 0.00 64.05 63.39 1gkg n THR 1030Cb 0.05 -2.39 -0.09 0.00 -2.10 0.00 0.00 70.33 65.81 1gkg n THR 1030CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1gkg s ILE 1031N -4.35 -0.60 0.71 2.28 2.07 -1.26 -4.90 121.20 115.15 1gkg s ILE 1031Ca 0.00 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.09 1gkg s ILE 1031Cb 0.00 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.86 1gkg s ILE 1031CO 0.00 -0.07 1.14 0.00 -1.91 0.00 0.00 174.94 174.09 1gkg s ALA 1032N 2.55 2.26 0.00 1.50 0.00 -1.26 -3.43 121.76 123.39 1gkg s ALA 1032Ca 0.09 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1gkg s ALA 1032Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1gkg s ALA 1032CO -0.15 -1.63 0.00 0.09 0.00 0.00 0.00 175.76 174.08 1gkg n ASN 1033N -2.78 0.00 -3.47 0.00 3.02 -1.26 -4.87 115.26 105.91 1gkg n ASN 1033Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1gkg n ASN 1033Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.00 -1.71 3.63 7.41 0.00 -1.22 -0.23 105.19 113.08 1gkg n GLY 1034Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1gkg n GLY 1034CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkg s ASP 1035N -1.47 -0.83 0.32 1.61 1.01 -1.26 -4.47 116.67 111.58 1gkg s ASP 1035Ca 0.00 1.48 -0.18 0.00 0.71 0.00 0.00 52.55 54.56 1gkg s ASP 1035Cb 0.00 1.44 -0.09 0.00 1.01 0.00 0.00 42.92 45.27 1gkg s ASP 1035CO 0.00 -0.25 0.80 0.72 0.21 0.00 0.00 175.17 176.65 1gkg s PHE 1036N 0.89 3.44 0.10 4.23 -0.12 -1.26 -2.02 117.98 123.25 1gkg s PHE 1036Ca -0.04 1.39 0.10 0.00 -0.05 0.00 0.00 56.93 58.32 1gkg s PHE 1036Cb -0.05 -2.65 -0.04 0.00 -0.63 0.00 0.00 43.02 39.65 1gkg s PHE 1036CO -0.08 0.11 -0.25 0.42 -0.05 0.00 0.00 175.22 175.38 1gkg s ILE 1037N -1.90 2.04 0.00 -4.49 1.01 0.46 -4.94 121.20 113.39 1gkg s ILE 1037Ca 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1gkg s ILE 1037Cb -0.12 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1gkg s ILE 1037CO 0.18 0.10 0.00 -0.24 0.00 0.00 0.00 174.94 174.98 1gkg n SER 1038N 1.16 0.00 -4.72 3.58 2.88 -1.26 -3.27 113.62 111.99 1gkg n SER 1038Ca -0.18 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.01 1gkg n SER 1038Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.00 5.28 -0.30 2.46 -4.23 -1.26 -4.98 115.64 112.60 1gkg s THR 1039Ca 0.00 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1gkg s THR 1039Cb 0.00 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.73 1gkg s THR 1039CO 0.00 0.46 1.31 -3.20 -0.54 0.00 0.00 174.62 172.65 1gkg n ASN 1040N 3.40 -1.03 -3.15 3.99 2.85 -1.26 -4.42 115.26 115.64 1gkg n ASN 1040Ca -0.16 -1.53 0.05 0.00 -0.11 0.00 0.00 54.58 52.83 1gkg n ASN 1040Cb 0.52 0.58 -0.01 0.00 1.24 0.00 0.00 39.78 42.11 1gkg n ASN 1040CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gkg s ARG 1041N 0.01 0.27 0.00 1.20 1.70 -1.26 -5.01 118.95 115.86 1gkg s ARG 1041Ca 0.25 0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.89 1gkg s ARG 1041Cb 0.21 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1gkg s ARG 1041CO -0.07 -0.39 0.00 0.39 -1.08 0.00 0.00 175.30 174.15 1gkg n GLU 1042N 5.35 0.00 -0.62 3.89 1.02 -1.26 -4.70 120.64 124.31 1gkg n GLU 1042Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1gkg n GLU 1042Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.89 1gkg n GLU 1042CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gkg n ASN 1043N 1.47 3.57 -4.86 1.62 2.04 -1.26 -4.88 115.26 112.96 1gkg n ASN 1043Ca 0.00 -2.14 -0.33 0.00 -0.44 0.00 0.00 54.58 51.68 1gkg n ASN 1043Cb 0.00 -0.90 -0.06 0.00 -2.53 0.00 0.00 39.78 36.30 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1gkg s PHE 1044N 2.27 3.44 0.22 -2.53 0.40 -1.26 -4.95 117.98 115.57 1gkg s PHE 1044Ca 0.39 1.06 -0.21 0.00 -0.60 0.00 0.00 56.93 57.57 1gkg s PHE 1044Cb 0.16 -2.40 0.07 0.00 0.51 0.00 0.00 43.02 41.36 1gkg s PHE 1044CO -0.01 0.23 1.00 -3.38 0.70 0.00 0.00 175.22 173.76 1gkg s HIS 1045N -1.81 0.08 0.00 0.36 -3.43 -1.26 -4.74 115.29 104.49 1gkg s HIS 1045Ca 0.48 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 1gkg s HIS 1045Cb -0.12 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1gkg s HIS 1045CO 0.19 -1.04 0.30 0.98 -2.00 0.00 0.00 174.74 173.18 1gkg n TYR 1046N -0.68 0.00 -3.15 0.38 9.36 -1.12 -2.80 117.16 119.16 1gkg n TYR 1046Ca -0.04 -0.15 0.04 0.00 3.32 0.00 0.00 57.90 61.07 1gkg n TYR 1046Cb 0.59 -0.16 -0.00 0.00 -0.63 0.00 0.00 39.34 39.14 1gkg n TYR 1046CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1gkg s GLY 1047N 1.11 -1.11 0.00 2.98 0.00 -1.26 -4.86 107.32 104.18 1gkg s GLY 1047Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.21 1gkg s GLY 1047CO 0.00 3.59 0.00 -1.14 0.00 0.00 0.00 173.10 175.55 1gkg n SER 1048N 5.41 0.00 -3.99 1.64 3.41 -1.26 -5.01 113.62 113.82 1gkg n SER 1048Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1gkg n SER 1048Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gkg s VAL 1049N -1.56 0.30 -0.02 -3.33 0.11 -1.26 0.32 120.40 114.95 1gkg s VAL 1049Ca 0.00 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1gkg s VAL 1049Cb 0.00 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1gkg s VAL 1049CO 0.00 -0.25 -0.01 0.54 -3.33 0.00 0.00 175.10 172.05 1gkg s VAL 1050N -0.91 0.20 -0.15 2.04 0.11 -1.02 -4.26 120.40 116.41 1gkg s VAL 1050Ca -0.07 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1gkg s VAL 1050Cb -0.07 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1gkg s VAL 1050CO -0.00 0.12 0.09 -0.89 -3.33 0.00 0.00 175.10 171.08 1gkg s THR 1051N 0.62 5.03 0.00 5.04 2.01 -1.20 -1.92 115.64 125.22 1gkg s THR 1051Ca -0.06 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1gkg s THR 1051Cb -0.09 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1gkg s THR 1051CO -0.01 0.52 0.00 -1.22 -0.69 0.00 0.00 174.62 173.22 1gkg n TYR 1052N 2.89 -2.32 0.00 4.92 4.02 0.21 -0.40 117.16 126.48 1gkg n TYR 1052Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1gkg n TYR 1052Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1gkg n TYR 1052CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1gkg n ARG 1053N -1.05 0.00 -1.41 -0.72 3.00 -0.85 -4.64 116.66 110.98 1gkg n ARG 1053Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1gkg n ARG 1053Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.45 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gkg n ASN 1055N 1.04 0.00 -2.03 0.00 2.85 0.68 -4.74 115.26 113.05 1gkg n ASN 1055Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1gkg n ASN 1055Cb 0.00 0.00 0.00 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 0.00 -5.92 -4.71 1.20 4.77 -0.73 -4.78 117.00 106.83 1gkg n LEU 1056Ca 0.00 2.93 -0.35 0.00 -0.03 0.00 0.00 56.01 58.56 1gkg n LEU 1056Cb 0.00 -3.02 -0.08 0.00 -2.33 0.00 0.00 43.42 37.98 1gkg n LEU 1056CO 0.00 -1.92 -0.19 -0.83 -1.33 0.00 0.00 177.39 173.12 1gkg s GLY 1057N -0.50 2.01 0.00 -0.72 0.00 -1.26 -4.58 107.32 102.27 1gkg s GLY 1057Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1gkg s GLY 1057CO 0.00 0.15 0.00 -1.26 0.00 0.00 0.00 173.10 171.99 1gkg n SER 1058N 3.59 0.00 0.00 1.64 2.88 -1.26 -4.22 113.62 116.25 1gkg n SER 1058Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1gkg n SER 1058Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1gkg n ARG 1059N 0.00 0.00 -1.21 -1.46 0.63 -1.26 -5.02 116.66 108.34 1gkg n ARG 1059Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1gkg n ARG 1059Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gkg n GLY 1060N 0.00 4.04 3.70 5.14 0.00 -1.26 -4.67 105.19 112.14 1gkg n GLY 1060Ca 0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1gkg n GLY 1060CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gkg s ARG 1061N -1.35 1.63 -0.78 1.61 1.81 -1.26 -4.81 118.95 115.80 1gkg s ARG 1061Ca 0.49 1.61 -0.23 0.00 -1.72 0.00 0.00 55.73 55.88 1gkg s ARG 1061Cb 0.32 -1.79 -0.16 0.00 -0.45 0.00 0.00 34.95 32.87 1gkg s ARG 1061CO -0.12 -2.18 1.90 1.17 -0.68 0.00 0.00 175.30 175.39 1gkg n LYS 1062N -3.50 1.40 -3.14 3.54 4.81 -1.26 -4.59 118.16 115.42 1gkg n LYS 1062Ca 0.12 -1.88 -0.08 0.00 -0.87 0.00 0.00 58.31 55.59 1gkg n LYS 1062Cb 0.51 -3.02 -0.03 0.00 0.02 0.00 0.00 35.03 32.51 1gkg n LYS 1062CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1gkg s VAL 1063N 6.20 -0.67 0.29 3.15 -7.23 -1.26 -5.09 120.40 115.80 1gkg s VAL 1063Ca 0.60 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1gkg s VAL 1063Cb 0.12 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.74 1gkg s VAL 1063CO 0.14 -0.30 0.00 0.49 -0.31 0.00 0.00 175.10 175.12 1gkg n PHE 1064N 3.76 -2.33 -3.84 2.82 3.01 -1.26 -1.77 117.46 117.85 1gkg n PHE 1064Ca 0.15 1.25 -0.12 0.00 1.01 0.00 0.00 57.45 59.74 1gkg n PHE 1064Cb 0.52 -2.28 -0.13 0.00 -0.01 0.00 0.00 39.48 37.58 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N -4.77 0.08 0.18 -1.08 2.02 -1.26 -4.40 118.70 109.47 1gkg s GLU 1065Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 1gkg s GLU 1065Cb 0.00 0.03 -0.09 0.00 0.10 0.00 0.00 34.13 34.17 1gkg s GLU 1065CO 0.00 -0.02 1.37 -1.17 0.02 0.00 0.00 175.26 175.46 1gkg s LEU 1066N 0.09 4.40 -0.03 1.80 0.20 -1.26 -0.21 118.68 123.67 1gkg s LEU 1066Ca -0.00 2.44 0.00 0.00 0.69 0.00 0.00 54.13 57.26 1gkg s LEU 1066Cb -0.01 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 42.17 1gkg s LEU 1066CO -0.00 -0.61 0.01 -0.69 -0.29 0.00 0.00 176.35 174.77 1gkg s VAL 1067N 0.42 0.13 0.00 1.68 1.01 -0.83 -4.91 120.40 117.90 1gkg s VAL 1067Ca 0.60 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1gkg s VAL 1067Cb -0.38 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1gkg s VAL 1067CO 0.37 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1gkg n GLY 1068N 4.16 0.81 3.55 4.51 0.00 -1.26 -2.66 105.19 114.29 1gkg n GLY 1068Ca -0.27 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 3.67 1.37 0.01 1.61 2.13 -1.26 -4.81 120.64 123.35 1gkg n GLU 1069Ca 0.00 0.27 0.11 0.00 0.66 0.00 0.00 57.16 58.20 1gkg n GLU 1069Cb 0.00 -3.07 -0.01 0.00 0.27 0.00 0.00 31.44 28.63 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 8.73 0.14 -3.83 5.31 -0.04 -1.26 -4.32 135.00 139.73 1gkg n PRO 1070Ca 0.37 -0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1gkg n PRO 1070Cb 0.42 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1gkg s SER 1071N -3.40 -0.23 0.05 3.54 0.01 -1.26 -0.62 113.70 111.79 1gkg s SER 1071Ca 0.06 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1gkg s SER 1071Cb 0.16 0.63 -0.03 0.00 0.21 0.00 0.00 66.02 66.98 1gkg s SER 1071CO 0.82 -1.16 0.01 0.27 0.41 0.00 0.00 173.24 173.59 1gkg s ILE 1072N -3.92 0.18 0.12 1.44 -4.36 -0.81 -5.00 121.20 108.86 1gkg s ILE 1072Ca 0.13 -1.52 0.10 0.00 -0.26 0.00 0.00 60.65 59.10 1gkg s ILE 1072Cb -0.02 -1.24 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 1gkg s ILE 1072CO 0.03 -0.84 -0.21 -0.72 0.24 0.00 0.00 174.94 173.43 1gkg s TYR 1073N -3.38 2.45 0.87 1.37 -0.85 -1.26 -2.43 117.35 114.12 1gkg s TYR 1073Ca 0.02 -0.31 -0.11 0.00 -0.52 0.00 0.00 57.07 56.15 1gkg s TYR 1073Cb 0.04 -1.32 0.12 0.00 0.38 0.00 0.00 41.96 41.19 1gkg s TYR 1073CO -0.08 0.36 1.15 0.00 -1.52 0.00 0.00 175.55 175.46 1gkg n THR 1075N -3.96 0.00 0.00 0.00 5.66 -1.26 -4.90 114.28 109.82 1gkg n THR 1075Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1gkg n THR 1075Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1gkg n THR 1075CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1gkg n SER 1076N 0.00 0.00 0.00 1.09 2.88 -1.11 -2.58 113.62 113.90 1gkg n SER 1076Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1gkg n SER 1076Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1gkg n ASN 1077N 0.00 0.00 0.00 -3.46 2.04 0.84 -3.49 115.26 111.19 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 -0.19 0.00 -0.33 0.53 2.03 -1.16 -4.74 116.55 112.68 1gkg n ASP 1078Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1gkg n ASP 1078Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 0.10 1.67 8.00 -1.26 -4.73 116.55 120.33 1gkg n ASP 1079Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1gkg n ASP 1079Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1gkg n ASP 1079CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1gkg h GLN 1080N 0.00 -0.23 -0.13 -1.24 1.08 -1.96 -2.90 115.11 109.73 1gkg h GLN 1080Ca 0.00 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1gkg h GLN 1080Cb 0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1gkg h GLN 1080CO 0.00 0.06 0.18 0.28 -0.95 0.00 0.00 178.83 178.40 1gkg h VAL 1081N -0.53 0.35 0.00 -0.54 2.07 -1.93 -3.47 116.25 112.20 1gkg h VAL 1081Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1gkg h VAL 1081Cb 0.40 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1gkg h VAL 1081CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1gkg n GLY 1082N -1.33 0.34 3.23 2.17 0.00 -1.10 -4.47 105.19 104.03 1gkg n GLY 1082Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -0.01 0.00 -0.61 -0.00 -1.26 -0.11 121.20 119.21 1gkg s ILE 1083Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1gkg s ILE 1083Cb 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 42.46 41.96 1gkg s ILE 1083CO 0.00 0.01 0.00 -2.67 -0.00 0.00 0.00 174.94 172.28 1gkg n TRP 1084N 3.14 0.00 -2.45 1.37 4.27 -1.26 -4.97 117.44 117.54 1gkg n TRP 1084Ca -0.15 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.38 1gkg n TRP 1084Cb 0.57 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.56 1gkg n TRP 1084CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1gkg n SER 1085N 0.00 -4.23 -4.68 -0.67 2.88 -1.26 -4.93 113.62 100.72 1gkg n SER 1085Ca 0.00 -0.37 -0.43 0.00 -1.33 0.00 0.00 58.87 56.74 1gkg n SER 1085Cb 0.00 -2.97 -0.03 0.00 -0.75 0.00 0.00 64.21 60.46 1gkg n SER 1085CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gkg n GLY 1086N -1.33 1.67 0.65 0.46 0.00 -1.26 -4.69 105.19 100.68 1gkg n GLY 1086Ca -0.05 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 5.88 0.23 -1.54 1.61 -0.02 -1.26 -4.61 135.00 135.29 1gkg n PRO 1087Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1gkg n PRO 1087Cb 0.37 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.53 -1.69 -1.00 3.55 0.00 -1.26 -5.01 120.51 115.63 1gkg n ALA 1088Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1gkg n ALA 1088Cb 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.80 0.00 -3.71 0.00 -0.04 -1.26 -5.00 135.00 124.19 1gkg n PRO 1089Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1gkg n PRO 1089Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.00 0.61 -0.15 0.54 0.00 -1.09 -5.02 119.66 114.55 1gkg s GLN 1090Ca 0.00 0.38 -0.07 0.00 -0.00 0.00 0.00 55.36 55.67 1gkg s GLN 1090Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 33.01 33.26 1gkg s GLN 1090CO 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 175.29 175.25