#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq n ALA 958 N 0.00 0.00 -2.79 0.62 0.00 -1.26 -4.58 120.51 112.50 1ppq n ALA 958 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ppq n ALA 958 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ppq n ALA 958 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ppq s GLU 959 N 0.00 3.97 0.18 0.00 2.02 -1.26 -5.09 118.70 118.53 1ppq s GLU 959 Ca 0.00 -0.33 -0.13 0.00 0.02 0.00 0.00 54.97 54.53 1ppq s GLU 959 Cb 0.00 -3.37 -0.07 0.00 0.10 0.00 0.00 34.13 30.79 1ppq s GLU 959 CO 0.00 0.12 0.57 0.00 0.02 0.00 0.00 175.26 175.96 1ppq s ALA 960 N 0.83 3.56 0.42 5.21 0.00 -1.26 -4.89 121.76 125.63 1ppq s ALA 960 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1ppq s ALA 960 Cb -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1ppq s ALA 960 CO 0.02 0.46 0.00 1.63 0.00 0.00 0.00 175.76 177.87 1ppq n LYS 961 N 0.49 -3.74 0.00 0.00 5.02 -1.26 -4.98 118.16 113.69 1ppq n LYS 961 Ca -0.03 2.78 0.00 0.00 -2.02 0.00 0.00 58.31 59.04 1ppq n LYS 961 Cb 0.52 -3.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 1ppq n LYS 961 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ppq n SER 962 N -0.86 0.00 -4.69 4.39 2.88 -1.26 -4.98 113.62 109.10 1ppq n SER 962 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1ppq n SER 962 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq s LYS 964 N 0.96 4.43 0.25 0.00 1.02 -1.25 -4.97 119.74 120.18 1ppq s LYS 964 Ca 0.17 1.70 -0.31 0.00 0.02 0.00 0.00 55.97 57.55 1ppq s LYS 964 Cb -0.14 -3.41 -0.14 0.00 -0.52 0.00 0.00 37.83 33.62 1ppq s LYS 964 CO 0.06 -0.27 1.33 0.25 -0.92 0.00 0.00 175.35 175.80 1ppq n THR 965 N 4.09 1.17 -2.15 2.17 -2.24 -1.26 -4.78 114.28 111.28 1ppq n THR 965 Ca 0.09 -0.29 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1ppq n THR 965 Cb 0.47 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 1ppq n THR 965 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ppq s PRO 966 N -0.70 4.36 -0.00 -0.78 0.02 -1.26 -4.96 135.00 131.67 1ppq s PRO 966 Ca 0.66 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 1ppq s PRO 966 Cb -0.66 -3.15 -0.06 0.00 0.02 0.00 0.00 34.50 30.65 1ppq s PRO 966 CO 0.52 -0.27 1.50 -1.25 -0.33 0.00 0.00 177.00 177.17 1ppq s PRO 967 N -0.56 4.24 -0.24 5.54 0.04 -1.26 -4.89 135.00 137.87 1ppq s PRO 967 Ca 0.55 2.08 -0.28 0.00 0.04 0.00 0.00 61.00 63.39 1ppq s PRO 967 Cb -0.38 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1ppq s PRO 967 CO 0.43 -0.67 2.01 -0.51 0.04 0.00 0.00 177.00 178.30 1ppq s ASP 968 N 2.26 5.75 0.88 6.66 1.01 -1.26 -4.98 116.67 126.99 1ppq s ASP 968 Ca 0.67 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.66 1ppq s ASP 968 Cb -0.33 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1ppq s ASP 968 CO 0.28 -1.76 0.00 -2.65 0.21 0.00 0.00 175.17 171.25 1ppq n PRO 969 N 8.47 -0.99 -1.95 8.23 -0.02 -1.26 -4.87 135.00 142.61 1ppq n PRO 969 Ca 0.26 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1ppq n PRO 969 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.90 1ppq n PRO 969 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ppq s VAL 970 N -0.88 2.89 -1.40 -1.45 0.11 -1.26 -2.99 120.40 115.42 1ppq s VAL 970 Ca 0.00 0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 59.54 1ppq s VAL 970 Cb 0.00 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 1ppq s VAL 970 CO 0.00 0.02 0.55 0.59 -3.33 0.00 0.00 175.10 172.92 1ppq n ASN 971 N 4.84 -0.91 -3.97 3.54 3.02 -1.26 -4.65 115.26 115.87 1ppq n ASN 971 Ca 0.15 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.66 1ppq n ASN 971 Cb 0.40 -3.38 -0.08 0.00 -0.61 0.00 0.00 39.78 36.11 1ppq n ASN 971 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ppq s GLY 972 N -4.27 0.47 -0.26 7.41 0.00 -1.16 -0.56 107.32 108.94 1ppq s GLY 972 Ca 0.07 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 1ppq s GLY 972 CO 0.86 -0.92 0.87 -3.16 0.00 0.00 0.00 173.10 170.76 1ppq s MET 973 N -3.95 0.69 0.09 2.90 0.23 -1.05 -4.51 119.30 113.69 1ppq s MET 973 Ca 0.15 0.76 -0.06 0.00 -1.03 0.00 0.00 55.69 55.51 1ppq s MET 973 Cb 0.04 0.33 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1ppq s MET 973 CO -0.02 -0.09 0.35 0.54 -2.03 0.00 0.00 175.02 173.76 1ppq s VAL 974 N 0.20 5.19 -0.08 5.16 0.11 -1.26 -3.71 120.40 126.00 1ppq s VAL 974 Ca 0.01 0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 1ppq s VAL 974 Cb -0.05 -3.62 -0.28 0.00 -1.53 0.00 0.00 36.38 30.91 1ppq s VAL 974 CO -0.02 0.19 0.87 0.45 -3.33 0.00 0.00 175.10 173.26 1ppq h HIS 975 N 3.34 0.28 -5.36 1.54 3.86 -1.93 -3.50 115.15 113.38 1ppq h HIS 975 Ca -0.48 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 58.55 1ppq h HIS 975 Cb 1.18 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.56 1ppq h HIS 975 CO 0.64 1.11 -1.14 0.28 0.86 0.00 0.00 177.93 179.69 1ppq n VAL 976 N -4.39 -9.67 0.06 2.45 0.31 -1.26 -4.93 118.33 100.89 1ppq n VAL 976 Ca -0.11 1.92 -0.02 0.00 -0.01 0.00 0.00 64.34 66.11 1ppq n VAL 976 Cb 0.62 -5.59 -0.01 0.00 -0.91 0.00 0.00 33.84 27.96 1ppq n VAL 976 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ppq h ILE 977 N 4.08 0.00 0.00 2.52 2.04 -1.96 -3.48 117.51 120.72 1ppq h ILE 977 Ca -0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ppq h ILE 977 Cb 0.78 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1ppq h ILE 977 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.58 1ppq n THR 978 N -2.53 0.00 -3.88 -0.27 -1.04 -1.26 -5.12 114.28 100.18 1ppq n THR 978 Ca -0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.64 1ppq n THR 978 Cb 0.06 -0.03 -0.08 0.00 -1.82 0.00 0.00 70.33 68.46 1ppq n THR 978 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ppq s ASP 979 N -1.82 5.99 0.00 8.00 1.11 -1.26 -4.96 116.67 123.73 1ppq s ASP 979 Ca 0.00 0.21 0.25 0.00 0.18 0.00 0.00 52.55 53.19 1ppq s ASP 979 Cb 0.00 -2.02 1.06 0.00 1.07 0.00 0.00 42.92 43.03 1ppq s ASP 979 CO 0.00 0.22 1.73 -0.38 1.18 0.00 0.00 175.17 177.92 1ppq n ILE 980 N 3.25 0.07 -1.69 0.77 5.41 -1.26 -4.82 119.36 121.10 1ppq n ILE 980 Ca -0.17 -0.22 -0.38 0.00 1.00 0.00 0.00 62.75 62.97 1ppq n ILE 980 Cb 0.53 0.24 0.05 0.00 -0.71 0.00 0.00 39.64 39.74 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ppq n GLN 981 N -0.03 1.35 -1.74 0.38 10.64 -1.26 -4.26 117.38 122.46 1ppq n GLN 981 Ca 0.18 0.50 -0.42 0.00 -1.83 0.00 0.00 57.00 55.44 1ppq n GLN 981 Cb 0.28 -2.40 -0.02 0.00 -0.86 0.00 0.00 30.24 27.25 1ppq n GLN 981 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1ppq n VAL 982 N -1.30 0.98 0.00 -0.39 3.14 -1.26 -3.01 118.33 116.49 1ppq n VAL 982 Ca 0.12 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1ppq n VAL 982 Cb 0.45 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.29 1ppq n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppq n GLY 983 N 2.22 1.26 3.95 7.55 0.00 -1.25 -5.06 105.19 113.86 1ppq n GLY 983 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1ppq n GLY 983 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ppq s SER 984 N -1.99 5.53 -0.34 1.61 0.15 -1.16 -5.00 113.70 112.49 1ppq s SER 984 Ca 0.00 0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.90 1ppq s SER 984 Cb 0.00 -1.29 0.14 0.00 -1.71 0.00 0.00 66.02 63.15 1ppq s SER 984 CO 0.00 -0.97 0.21 -0.60 1.20 0.00 0.00 173.24 173.07 1ppq s ARG 985 N -4.74 0.51 0.82 5.44 3.52 -1.26 -3.42 118.95 119.82 1ppq s ARG 985 Ca 0.53 -1.22 -0.12 0.00 -0.13 0.00 0.00 55.73 54.79 1ppq s ARG 985 Cb -0.10 -1.26 0.09 0.00 -1.56 0.00 0.00 34.95 32.12 1ppq s ARG 985 CO 0.40 -1.19 1.16 0.96 -0.81 0.00 0.00 175.30 175.81 1ppq s ILE 986 N 1.20 2.17 0.19 4.11 -4.36 -0.92 -4.92 121.20 118.66 1ppq s ILE 986 Ca 0.17 0.06 0.10 0.00 -0.26 0.00 0.00 60.65 60.72 1ppq s ILE 986 Cb -0.22 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 1ppq s ILE 986 CO -0.03 -0.07 -0.19 0.42 0.24 0.00 0.00 174.94 175.31 1ppq s THR 987 N -3.47 2.66 -0.02 8.37 -4.23 -1.26 -2.03 115.64 115.65 1ppq s THR 987 Ca 0.62 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1ppq s THR 987 Cb -0.12 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1ppq s THR 987 CO 0.50 -0.10 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.88 1ppq s TYR 988 N -1.66 1.25 0.00 3.99 6.14 -0.73 -3.01 117.35 123.34 1ppq s TYR 988 Ca 0.22 -0.28 -0.29 0.00 0.64 0.00 0.00 57.07 57.36 1ppq s TYR 988 Cb -0.08 -0.83 0.07 0.00 0.42 0.00 0.00 41.96 41.54 1ppq s TYR 988 CO 0.12 -0.07 0.65 -1.54 0.64 0.00 0.00 175.55 175.35 1ppq s SER 989 N -0.13 -0.63 0.26 4.32 1.04 -1.24 -4.48 113.70 112.84 1ppq s SER 989 Ca 0.02 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1ppq s SER 989 Cb -0.07 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1ppq s SER 989 CO 0.00 -0.70 0.00 0.00 0.98 0.00 0.00 173.24 173.52 1ppq s THR 991 N 0.49 1.46 -0.10 0.00 -4.23 0.28 -4.79 115.64 108.75 1ppq s THR 991 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 1ppq s THR 991 Cb 0.00 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.65 1ppq s THR 991 CO 0.00 0.00 1.87 -0.89 -0.54 0.00 0.00 174.62 175.06 1ppq s THR 992 N -2.43 3.30 0.00 3.99 2.01 -1.26 -1.87 115.64 119.38 1ppq s THR 992 Ca 0.69 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1ppq s THR 992 Cb -0.16 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1ppq s THR 992 CO 0.59 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1ppq n GLY 993 N 4.75 0.90 2.72 4.40 0.00 -1.26 -5.04 105.19 111.66 1ppq n GLY 993 Ca 0.21 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1ppq n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppq s HIS 994 N -2.00 0.52 -0.10 1.61 4.02 -0.78 -1.43 115.29 117.14 1ppq s HIS 994 Ca 0.00 -0.21 0.01 0.00 1.02 0.00 0.00 55.06 55.88 1ppq s HIS 994 Cb 0.00 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.58 30.79 1ppq s HIS 994 CO 0.00 -0.37 -0.11 1.03 1.02 0.00 0.00 174.74 176.31 1ppq s ARG 995 N 2.02 3.02 0.52 1.40 0.52 -1.00 -3.70 118.95 121.73 1ppq s ARG 995 Ca 0.04 -0.63 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 1ppq s ARG 995 Cb -0.14 -2.59 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 1ppq s ARG 995 CO -0.06 0.45 1.12 -0.51 0.02 0.00 0.00 175.30 176.32 1ppq s LEU 996 N -0.24 3.82 -0.94 2.53 1.02 -1.26 -2.95 118.68 120.66 1ppq s LEU 996 Ca 0.02 2.17 -0.03 0.00 0.02 0.00 0.00 54.13 56.32 1ppq s LEU 996 Cb -0.13 -4.51 0.25 0.00 0.02 0.00 0.00 46.19 41.82 1ppq s LEU 996 CO 0.03 -1.10 2.15 -0.38 0.02 0.00 0.00 176.35 177.06 1ppq n ILE 997 N -1.09 4.76 0.00 -0.59 2.08 -1.24 -4.84 119.36 118.44 1ppq n ILE 997 Ca 0.10 -4.69 0.00 0.00 0.56 0.00 0.00 62.75 58.72 1ppq n ILE 997 Cb 0.51 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.83 1ppq n ILE 997 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ppq n GLY 998 N 0.28 2.85 0.07 7.39 0.00 -1.26 -4.89 105.19 109.64 1ppq n GLY 998 Ca 0.52 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 1ppq n GLY 998 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ppq n HIS 999 N 0.00 0.00 -2.39 1.61 8.25 -1.26 -4.98 115.22 116.45 1ppq n HIS 999 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1ppq n HIS 999 Cb 0.00 -0.64 -0.01 0.00 1.12 0.00 0.00 29.99 30.47 1ppq n HIS 999 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ppq n SER 1000N -2.61 -3.21 -3.50 0.41 3.41 -1.26 -4.89 113.62 101.97 1ppq n SER 1000Ca -0.23 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.65 1ppq n SER 1000Cb 0.89 -2.78 -0.04 0.00 -0.26 0.00 0.00 64.21 62.02 1ppq n SER 1000CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ppq s SER 1001N -2.01 -0.92 0.06 4.04 0.01 -1.26 -1.77 113.70 111.84 1ppq s SER 1001Ca 0.00 1.18 0.05 0.00 1.31 0.00 0.00 55.95 58.49 1ppq s SER 1001Cb 0.00 2.02 -0.04 0.00 0.21 0.00 0.00 66.02 68.21 1ppq s SER 1001CO 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 173.24 173.44 1ppq s ALA 1002N 2.73 3.16 -0.06 1.44 0.00 -0.86 -4.53 121.76 123.64 1ppq s ALA 1002Ca -0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1ppq s ALA 1002Cb -0.10 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.92 1ppq s ALA 1002CO -0.18 0.66 0.10 -2.00 0.00 0.00 0.00 175.76 174.34 1ppq s GLU 1003N -2.00 -0.03 -0.14 0.00 2.12 -1.26 -2.17 118.70 115.21 1ppq s GLU 1003Ca 0.22 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 55.70 1ppq s GLU 1003Cb -0.11 -0.40 -0.06 0.00 0.26 0.00 0.00 34.13 33.82 1ppq s GLU 1003CO 0.14 -0.31 2.02 0.00 -0.54 0.00 0.00 175.26 176.57 1ppq s ILE 1005N 6.52 0.51 -0.09 0.00 -4.36 -0.84 -3.87 121.20 119.07 1ppq s ILE 1005Ca 0.91 -1.38 -0.13 0.00 -0.26 0.00 0.00 60.65 59.79 1ppq s ILE 1005Cb -0.34 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1ppq s ILE 1005CO 0.36 -0.60 0.32 -0.76 0.24 0.00 0.00 174.94 174.50 1ppq s LEU 1006N -2.12 4.36 -0.06 0.37 1.43 -1.26 -1.42 118.68 119.98 1ppq s LEU 1006Ca -0.03 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1ppq s LEU 1006Cb -0.04 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1ppq s LEU 1006CO -0.02 0.24 -0.06 -1.54 0.23 0.00 0.00 176.35 175.20 1ppq n SER 1007N 2.61 3.13 0.00 2.29 3.41 -1.26 -5.01 113.62 118.79 1ppq n SER 1007Ca -0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1ppq n SER 1007Cb 0.53 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ppq n GLY 1008N 3.13 -1.06 0.00 5.00 0.00 -1.26 -5.01 105.19 105.99 1ppq n GLY 1008Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ppq n GLY 1008CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppq n ASN 1009N -2.27 0.00 -3.47 1.61 6.94 -1.26 -5.02 115.26 111.78 1ppq n ASN 1009Ca 0.00 -1.00 -0.20 0.00 -0.02 0.00 0.00 54.58 53.36 1ppq n ASN 1009Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ppq s THR 1010N -0.00 -0.30 0.34 5.53 2.01 -1.26 -5.13 115.64 116.82 1ppq s THR 1010Ca 0.00 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1ppq s THR 1010Cb 0.00 -0.83 -0.11 0.00 0.01 0.00 0.00 72.50 71.56 1ppq s THR 1010CO 0.00 -0.39 1.54 0.00 -0.69 0.00 0.00 174.62 175.08 1ppq s ALA 1011N 2.29 3.65 0.28 7.40 0.00 -1.25 -4.46 121.76 129.67 1ppq s ALA 1011Ca 0.08 1.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.57 1ppq s ALA 1011Cb -0.15 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 1ppq s ALA 1011CO -0.24 -1.03 0.39 -3.38 0.00 0.00 0.00 175.76 171.51 1ppq s HIS 1012N -0.61 0.89 0.22 0.00 -3.43 -0.50 -3.97 115.29 107.88 1ppq s HIS 1012Ca 0.58 -1.14 -0.17 0.00 -0.80 0.00 0.00 55.06 53.52 1ppq s HIS 1012Cb -0.47 -0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 30.47 1ppq s HIS 1012CO 0.56 -0.96 0.68 -1.58 -2.00 0.00 0.00 174.74 171.44 1ppq s TRP 1013N -3.65 3.59 -1.48 0.38 0.52 -1.26 -1.99 118.94 115.05 1ppq s TRP 1013Ca 0.30 1.27 0.10 0.00 0.02 0.00 0.00 56.10 57.79 1ppq s TRP 1013Cb 0.01 -2.54 0.50 0.00 -1.15 0.00 0.00 33.47 30.29 1ppq s TRP 1013CO 0.15 0.32 1.18 0.43 0.02 0.00 0.00 176.95 179.05 1ppq n SER 1014N 0.55 0.00 -4.50 2.95 7.64 -1.22 -4.53 113.62 114.50 1ppq n SER 1014Ca -0.02 0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 1ppq n SER 1014Cb 0.52 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ppq s THR 1015N -2.52 4.33 0.91 0.44 -4.23 -1.26 -5.00 115.64 108.30 1ppq s THR 1015Ca 0.10 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1ppq s THR 1015Cb 0.06 -4.61 0.14 0.00 1.34 0.00 0.00 72.50 69.44 1ppq s THR 1015CO 0.14 -1.26 1.13 -1.59 -0.54 0.00 0.00 174.62 172.50 1ppq s LYS 1016N 4.10 1.10 -0.70 3.99 0.00 -1.26 -4.79 119.74 122.17 1ppq s LYS 1016Ca 0.28 1.46 -0.31 0.00 0.00 0.00 0.00 55.97 57.40 1ppq s LYS 1016Cb -0.13 -1.74 -0.15 0.00 0.00 0.00 0.00 37.83 35.80 1ppq s LYS 1016CO 0.16 -2.54 2.49 -0.35 0.00 0.00 0.00 175.35 175.11 1ppq n PRO 1017N -4.17 0.49 -2.20 1.78 -0.04 -1.26 -4.90 135.00 124.71 1ppq n PRO 1017Ca 0.11 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.36 1ppq n PRO 1017Cb 0.52 -2.25 0.07 0.00 -0.04 0.00 0.00 33.50 31.80 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ppq s PRO 1018N 8.12 2.26 0.22 0.54 0.04 -1.26 -5.10 135.00 139.81 1ppq s PRO 1018Ca 1.19 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 62.08 1ppq s PRO 1018Cb -0.88 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1ppq s PRO 1018CO 0.43 -1.21 -0.06 0.42 0.04 0.00 0.00 177.00 176.63 1ppq s ILE 1019N -3.24 1.28 -0.21 0.56 1.01 -1.26 -4.94 121.20 114.40 1ppq s ILE 1019Ca 0.60 -2.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.15 1ppq s ILE 1019Cb -0.11 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1ppq s ILE 1019CO 0.45 -0.46 -0.11 0.00 0.00 0.00 0.00 174.94 174.82 1ppq s GLN 1021N 1.38 2.13 0.24 0.00 0.74 -1.15 -4.95 119.66 118.04 1ppq s GLN 1021Ca 0.05 -1.10 -0.31 0.00 0.05 0.00 0.00 55.36 54.04 1ppq s GLN 1021Cb -0.14 -2.68 -0.13 0.00 1.10 0.00 0.00 33.01 31.15 1ppq s GLN 1021CO -0.07 -0.51 1.46 -2.13 -0.55 0.00 0.00 175.29 173.49 1ppq n ARG 1022N 4.56 2.17 -0.09 1.67 0.63 -1.26 -2.36 116.66 121.97 1ppq n ARG 1022Ca -0.14 0.77 -0.19 0.00 -0.92 0.00 0.00 57.85 57.37 1ppq n ARG 1022Cb 0.44 -2.46 -0.11 0.00 0.45 0.00 0.00 32.46 30.78 1ppq n ARG 1022CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ppq h ILE 1023N 3.17 1.03 0.00 5.15 1.08 -1.63 -3.48 117.51 122.83 1ppq h ILE 1023Ca -0.45 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 61.89 1ppq h ILE 1023Cb 1.26 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1ppq h ILE 1023CO 0.78 0.35 0.00 -0.81 -0.69 0.00 0.00 178.15 177.78