#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 2.44 -0.03 0.62 0.00 -1.26 -4.10 120.51 118.19 1ppq n ALA 958 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 1ppq n ALA 958 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 1ppq n ALA 958 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ppq h GLU 959 N 2.23 0.21 -5.24 0.00 5.08 -2.09 -3.41 114.58 111.35 1ppq h GLU 959 Ca 0.00 -0.20 -0.66 0.00 -1.00 0.00 0.00 59.36 57.50 1ppq h GLU 959 Cb 0.51 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.65 1ppq h GLU 959 CO 0.00 0.91 0.31 0.00 -1.00 0.00 0.00 179.01 179.23 1ppq s ALA 960 N -3.26 3.27 0.32 3.43 0.00 -1.26 -5.04 121.76 119.22 1ppq s ALA 960 Ca -0.15 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 49.86 1ppq s ALA 960 Cb 0.01 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 1ppq s ALA 960 CO 0.75 -2.36 0.82 0.21 0.00 0.00 0.00 175.76 175.17 1ppq s LYS 961 N 3.32 4.23 0.34 0.00 2.20 -1.26 -5.00 119.74 123.57 1ppq s LYS 961 Ca 0.20 0.95 0.06 0.00 -0.36 0.00 0.00 55.97 56.81 1ppq s LYS 961 Cb -0.18 -2.57 -0.07 0.00 -1.51 0.00 0.00 37.83 33.51 1ppq s LYS 961 CO 0.12 0.20 0.00 -1.12 -0.36 0.00 0.00 175.35 174.20 1ppq s SER 962 N -1.96 3.05 0.47 1.43 0.01 -1.26 -3.22 113.70 112.21 1ppq s SER 962 Ca 0.52 -1.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 1ppq s SER 962 Cb -0.13 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 1ppq s SER 962 CO 0.19 -0.46 0.74 0.00 0.41 0.00 0.00 173.24 174.11 1ppq n LYS 964 N -2.19 1.48 -0.11 0.00 2.85 -1.26 -4.81 118.16 114.13 1ppq n LYS 964 Ca 0.00 -2.26 -0.22 0.00 -1.05 0.00 0.00 58.31 54.78 1ppq n LYS 964 Cb 0.56 -0.49 -0.07 0.00 -0.65 0.00 0.00 35.03 34.38 1ppq n LYS 964 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1ppq n THR 965 N -1.03 1.30 -1.47 0.58 -1.04 -1.26 -4.97 114.28 106.40 1ppq n THR 965 Ca -0.06 -0.23 -0.46 0.00 -2.04 0.00 0.00 64.05 61.26 1ppq n THR 965 Cb 0.84 -1.89 -0.08 0.00 -1.82 0.00 0.00 70.33 67.38 1ppq n THR 965 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ppq n PRO 966 N -4.08 0.74 -0.13 -2.82 -0.04 -1.26 -4.94 135.00 122.46 1ppq n PRO 966 Ca -0.40 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1ppq n PRO 966 Cb 0.75 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1ppq n PRO 966 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ppq n PRO 967 N 8.40 0.90 -3.58 0.54 -0.04 -1.26 -5.06 135.00 134.89 1ppq n PRO 967 Ca 0.47 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 1ppq n PRO 967 Cb 0.23 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.58 1ppq n PRO 967 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ppq s ASP 968 N -1.00 5.78 1.04 3.54 -4.77 -1.26 -4.56 116.67 115.45 1ppq s ASP 968 Ca 0.00 -0.96 -0.12 0.00 -3.30 0.00 0.00 52.55 48.17 1ppq s ASP 968 Cb 0.00 -2.04 0.22 0.00 -1.09 0.00 0.00 42.92 40.00 1ppq s ASP 968 CO 0.00 -0.39 1.07 -2.16 0.70 0.00 0.00 175.17 174.39 1ppq s PRO 969 N 1.57 0.04 -0.04 2.11 0.04 -1.26 -4.98 135.00 132.48 1ppq s PRO 969 Ca 0.03 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 1ppq s PRO 969 Cb -0.19 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1ppq s PRO 969 CO 0.07 -3.07 0.90 0.08 0.04 0.00 0.00 177.00 175.01 1ppq s VAL 970 N -2.70 4.91 -0.44 -0.36 1.01 -1.26 -3.51 120.40 118.04 1ppq s VAL 970 Ca 0.66 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.50 1ppq s VAL 970 Cb -0.22 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1ppq s VAL 970 CO 0.61 0.16 0.00 0.59 0.00 0.00 0.00 175.10 176.45 1ppq n ASN 971 N 4.10 -5.26 -0.74 3.32 3.02 -1.26 -4.65 115.26 113.79 1ppq n ASN 971 Ca 0.04 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ppq n ASN 971 Cb 0.51 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 1ppq n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppq n GLY 972 N 0.62 5.29 3.64 7.41 0.00 -1.23 -1.03 105.19 119.88 1ppq n GLY 972 Ca -0.04 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 1ppq n GLY 972 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ppq s MET 973 N -0.50 0.64 0.27 1.61 0.23 -0.97 -4.50 119.30 116.09 1ppq s MET 973 Ca 0.00 0.92 -0.20 0.00 -1.03 0.00 0.00 55.69 55.38 1ppq s MET 973 Cb 0.00 0.23 -0.09 0.00 -1.53 0.00 0.00 34.83 33.44 1ppq s MET 973 CO 0.00 -0.10 0.78 0.54 -2.03 0.00 0.00 175.02 174.20 1ppq s VAL 974 N 0.90 4.52 0.03 5.16 0.11 -1.26 -2.52 120.40 127.34 1ppq s VAL 974 Ca -0.04 1.32 0.05 0.00 -2.93 0.00 0.00 61.98 60.38 1ppq s VAL 974 Cb -0.05 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1ppq s VAL 974 CO -0.10 0.08 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.61 1ppq s HIS 975 N -1.67 1.26 -0.24 1.54 3.76 -1.18 -4.97 115.29 113.79 1ppq s HIS 975 Ca 0.48 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.99 1ppq s HIS 975 Cb -0.15 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.76 1ppq s HIS 975 CO 0.20 0.03 0.02 0.54 -0.85 0.00 0.00 174.74 174.68 1ppq s VAL 976 N -0.79 3.82 0.14 -0.90 0.11 -1.26 -3.23 120.40 118.30 1ppq s VAL 976 Ca 0.02 -0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1ppq s VAL 976 Cb -0.08 -2.78 -0.17 0.00 -1.53 0.00 0.00 36.38 31.82 1ppq s VAL 976 CO 0.01 0.36 1.32 0.40 -3.33 0.00 0.00 175.10 173.86 1ppq h ILE 977 N 5.65 1.42 0.00 7.04 2.04 -1.94 -3.45 117.51 128.27 1ppq h ILE 977 Ca -0.39 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1ppq h ILE 977 Cb 1.16 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1ppq h ILE 977 CO 0.59 0.74 0.00 0.35 0.00 0.00 0.00 178.15 179.83 1ppq n THR 978 N -3.73 0.02 -3.52 -0.27 -2.24 -1.26 -5.08 114.28 98.19 1ppq n THR 978 Ca -0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 1ppq n THR 978 Cb 0.83 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ppq n ASP 979 N -2.70 -0.19 -0.01 3.42 9.92 -1.26 -5.06 116.55 120.67 1ppq n ASP 979 Ca 0.00 -1.22 0.01 0.00 -0.53 0.00 0.00 54.79 53.05 1ppq n ASP 979 Cb 0.00 0.34 -0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1ppq n ASP 979 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ppq n ILE 980 N -0.07 0.00 -0.52 0.53 2.08 -1.26 -4.56 119.36 115.57 1ppq n ILE 980 Ca -0.00 -0.48 -0.10 0.00 0.56 0.00 0.00 62.75 62.73 1ppq n ILE 980 Cb 0.07 1.01 0.08 0.00 -0.75 0.00 0.00 39.64 40.05 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ppq n GLN 981 N -0.75 -2.02 -2.21 0.38 10.64 -1.26 -1.30 117.38 120.86 1ppq n GLN 981 Ca 0.00 -0.53 -0.41 0.00 -1.83 0.00 0.00 57.00 54.22 1ppq n GLN 981 Cb 0.02 -0.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.83 1ppq n GLN 981 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ppq s VAL 982 N -1.56 3.24 0.00 -0.39 0.11 -1.20 -2.90 120.40 117.71 1ppq s VAL 982 Ca 0.22 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1ppq s VAL 982 Cb -0.03 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1ppq s VAL 982 CO 0.17 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1ppq n GLY 983 N 2.56 0.75 3.90 6.54 0.00 -1.23 -5.04 105.19 112.67 1ppq n GLY 983 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1ppq n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppq s SER 984 N -2.11 6.44 -0.09 1.61 1.04 -1.14 -4.95 113.70 114.50 1ppq s SER 984 Ca 0.00 0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.94 1ppq s SER 984 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1ppq s SER 984 CO 0.00 0.21 -0.22 -0.60 0.98 0.00 0.00 173.24 173.61 1ppq s ARG 985 N -2.08 2.71 0.32 4.02 3.52 -1.26 -3.08 118.95 123.10 1ppq s ARG 985 Ca 0.31 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1ppq s ARG 985 Cb -0.13 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.09 1ppq s ARG 985 CO 0.20 0.18 0.05 0.96 -0.81 0.00 0.00 175.30 175.89 1ppq s ILE 986 N 0.31 1.17 -0.04 4.11 -4.36 -1.24 -3.76 121.20 117.40 1ppq s ILE 986 Ca -0.16 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 1ppq s ILE 986 Cb -0.17 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.81 1ppq s ILE 986 CO 0.07 -0.03 -0.03 0.42 0.24 0.00 0.00 174.94 175.61 1ppq s THR 987 N -3.31 0.44 0.05 8.37 -4.23 -1.20 -3.14 115.64 112.62 1ppq s THR 987 Ca 0.36 -0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.57 1ppq s THR 987 Cb 0.08 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 1ppq s THR 987 CO 0.15 0.20 0.64 -0.31 -0.54 0.00 0.00 174.62 174.76 1ppq s TYR 988 N 0.86 3.76 0.39 3.99 1.51 -1.13 -3.11 117.35 123.62 1ppq s TYR 988 Ca -0.11 1.33 0.07 0.00 -1.01 0.00 0.00 57.07 57.35 1ppq s TYR 988 Cb -0.14 -2.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.00 1ppq s TYR 988 CO -0.00 0.43 -0.00 -1.12 -1.11 0.00 0.00 175.55 173.74 1ppq s SER 989 N -0.55 3.69 0.15 2.29 0.01 -1.05 -4.78 113.70 113.47 1ppq s SER 989 Ca 0.32 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.09 1ppq s SER 989 Cb -0.20 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 65.70 1ppq s SER 989 CO 0.20 -0.43 0.42 0.00 0.41 0.00 0.00 173.24 173.84 1ppq s THR 991 N -3.85 2.10 0.34 0.00 -1.32 -0.20 -4.90 115.64 107.80 1ppq s THR 991 Ca 0.07 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 1ppq s THR 991 Cb 0.01 -2.86 -0.11 0.00 -1.51 0.00 0.00 72.50 68.03 1ppq s THR 991 CO -0.07 -0.02 1.54 -0.89 -2.21 0.00 0.00 174.62 172.97 1ppq s THR 992 N -1.63 2.04 0.00 5.08 2.01 -1.26 -2.44 115.64 119.43 1ppq s THR 992 Ca 0.79 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1ppq s THR 992 Cb -0.34 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1ppq s THR 992 CO 0.42 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1ppq n GLY 993 N 1.27 0.82 2.76 4.40 0.00 -1.26 -5.06 105.19 108.12 1ppq n GLY 993 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.10 0.88 0.00 1.61 4.02 -1.02 -1.26 115.29 117.42 1ppq s HIS 994 Ca 0.00 -0.54 -0.19 0.00 1.02 0.00 0.00 55.06 55.35 1ppq s HIS 994 Cb 0.00 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.58 30.57 1ppq s HIS 994 CO 0.00 -0.48 0.53 1.03 1.02 0.00 0.00 174.74 176.84 1ppq s ARG 995 N 1.91 4.20 -0.03 1.40 3.00 -0.67 -4.73 118.95 124.03 1ppq s ARG 995 Ca 0.02 0.63 -0.30 0.00 0.00 0.00 0.00 55.73 56.07 1ppq s ARG 995 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.47 1ppq s ARG 995 CO -0.07 0.49 1.18 -1.17 0.00 0.00 0.00 175.30 175.73 1ppq s LEU 996 N -0.54 4.30 -1.24 2.53 0.20 -1.26 -1.74 118.68 120.93 1ppq s LEU 996 Ca 0.28 1.85 -0.14 0.00 0.69 0.00 0.00 54.13 56.80 1ppq s LEU 996 Cb -0.18 -3.56 0.15 0.00 -0.43 0.00 0.00 46.19 42.16 1ppq s LEU 996 CO 0.16 -0.54 1.54 -0.38 -0.29 0.00 0.00 176.35 176.85 1ppq n ILE 997 N 4.41 4.17 0.00 6.68 2.08 -0.93 -4.70 119.36 131.08 1ppq n ILE 997 Ca 0.10 -4.54 0.00 0.00 0.56 0.00 0.00 62.75 58.87 1ppq n ILE 997 Cb 0.47 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.92 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 4.33 -0.51 0.00 7.39 0.00 -1.26 -4.31 105.19 110.83 1ppq n GLY 998 Ca 0.40 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1ppq n GLY 998 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ppq n HIS 999 N 0.00 0.00 -2.15 1.61 -0.00 -1.26 -5.01 115.22 108.41 1ppq n HIS 999 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1ppq n HIS 999 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1ppq n HIS 999 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1ppq n SER 1000N 0.00 -3.06 -3.52 0.26 3.41 -1.26 -4.86 113.62 104.58 1ppq n SER 1000Ca 0.00 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.77 1ppq n SER 1000Cb 0.25 -2.72 -0.02 0.00 -0.26 0.00 0.00 64.21 61.46 1ppq n SER 1000CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ppq s SER 1001N -1.97 -0.44 0.22 4.04 0.15 -1.26 -2.82 113.70 111.61 1ppq s SER 1001Ca 0.00 -0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.34 1ppq s SER 1001Cb 0.00 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1ppq s SER 1001CO 0.00 -0.88 0.91 0.00 1.20 0.00 0.00 173.24 174.46 1ppq s ALA 1002N -3.52 -1.44 -0.08 5.45 0.00 -1.19 -4.55 121.76 116.43 1ppq s ALA 1002Ca 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1ppq s ALA 1002Cb -0.02 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1ppq s ALA 1002CO -0.09 -1.04 0.21 -2.00 0.00 0.00 0.00 175.76 172.84 1ppq s GLU 1003N -3.06 0.21 -0.92 0.00 2.12 -1.26 -3.63 118.70 112.16 1ppq s GLU 1003Ca 0.14 0.36 -0.25 0.00 0.36 0.00 0.00 54.97 55.59 1ppq s GLU 1003Cb -0.03 0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 1ppq s GLU 1003CO 0.05 -0.08 2.02 0.00 -0.54 0.00 0.00 175.26 176.71 1ppq s ILE 1005N 11.04 5.39 -0.29 0.00 -4.36 -1.12 -3.49 121.20 128.37 1ppq s ILE 1005Ca 0.74 0.20 -0.24 0.00 -0.26 0.00 0.00 60.65 61.09 1ppq s ILE 1005Cb -0.07 -3.48 -0.00 0.00 1.25 0.00 0.00 42.46 40.16 1ppq s ILE 1005CO 0.02 0.42 0.80 -0.76 0.24 0.00 0.00 174.94 175.66 1ppq s LEU 1006N 0.53 4.08 -0.35 0.37 1.43 -1.26 -2.54 118.68 120.92 1ppq s LEU 1006Ca 0.08 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1ppq s LEU 1006Cb -0.12 -3.11 0.14 0.00 0.03 0.00 0.00 46.19 43.14 1ppq s LEU 1006CO -0.00 -0.60 0.28 -0.44 0.23 0.00 0.00 176.35 175.82 1ppq s SER 1007N 1.56 2.16 0.00 2.29 0.01 -1.05 -4.88 113.70 113.80 1ppq s SER 1007Ca 0.33 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1ppq s SER 1007Cb -0.14 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1ppq s SER 1007CO 0.11 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1ppq n GLY 1008N 4.26 1.05 2.42 3.44 0.00 -1.26 -4.46 105.19 110.64 1ppq n GLY 1008Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1ppq n GLY 1008CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ppq n ASN 1009N 0.00 -5.12 -3.77 1.61 4.13 -1.26 -4.95 115.26 105.90 1ppq n ASN 1009Ca 0.00 0.26 -0.14 0.00 1.68 0.00 0.00 54.58 56.38 1ppq n ASN 1009Cb 0.00 -4.43 -0.15 0.00 -1.54 0.00 0.00 39.78 33.67 1ppq n ASN 1009CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ppq s THR 1010N -2.74 -0.04 -0.37 3.41 -1.32 -1.26 -5.12 115.64 108.19 1ppq s THR 1010Ca 0.00 0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.40 1ppq s THR 1010Cb 0.00 -0.18 0.01 0.00 -1.51 0.00 0.00 72.50 70.82 1ppq s THR 1010CO 0.00 0.07 0.85 0.00 -2.21 0.00 0.00 174.62 173.32 1ppq s ALA 1011N 0.96 3.42 -0.00 11.08 0.00 -1.26 -2.51 121.76 133.44 1ppq s ALA 1011Ca -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1ppq s ALA 1011Cb -0.10 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ppq s ALA 1011CO -0.04 -1.55 0.01 -3.38 0.00 0.00 0.00 175.76 170.80 1ppq s HIS 1012N 3.27 0.03 0.49 0.00 -3.43 -1.05 -4.61 115.29 109.99 1ppq s HIS 1012Ca 0.34 -0.06 -0.22 0.00 -0.80 0.00 0.00 55.06 54.33 1ppq s HIS 1012Cb -0.13 -0.03 -0.07 0.00 -1.43 0.00 0.00 32.58 30.93 1ppq s HIS 1012CO 0.18 -0.05 1.15 -1.58 -2.00 0.00 0.00 174.74 172.45 1ppq s TRP 1013N -0.28 2.81 0.04 0.38 0.52 -1.26 -2.80 118.94 118.35 1ppq s TRP 1013Ca -0.03 1.54 -0.26 0.00 0.02 0.00 0.00 56.10 57.36 1ppq s TRP 1013Cb -0.02 -3.35 -0.15 0.00 -1.15 0.00 0.00 33.47 28.80 1ppq s TRP 1013CO -0.00 -1.53 1.33 0.66 0.02 0.00 0.00 176.95 177.43 1ppq h SER 1014N 1.77 -0.81 -3.91 2.95 4.64 -1.90 -3.44 113.55 112.86 1ppq h SER 1014Ca -0.50 0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.33 1ppq h SER 1014Cb 1.25 0.21 0.06 0.00 -0.31 0.00 0.00 62.40 63.61 1ppq h SER 1014CO 0.59 -0.55 0.58 0.42 -0.87 0.00 0.00 176.83 177.00 1ppq s THR 1015N -4.97 2.86 0.82 2.95 -4.23 -1.26 -5.00 115.64 106.80 1ppq s THR 1015Ca -0.14 0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1ppq s THR 1015Cb 0.01 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.46 1ppq s THR 1015CO 0.42 0.14 1.14 -1.59 -0.54 0.00 0.00 174.62 174.19 1ppq s LYS 1016N -2.02 1.75 -0.39 3.99 0.00 -1.26 -4.85 119.74 116.96 1ppq s LYS 1016Ca 0.53 1.46 -0.33 0.00 0.00 0.00 0.00 55.97 57.63 1ppq s LYS 1016Cb -0.36 -1.82 -0.11 0.00 0.00 0.00 0.00 37.83 35.54 1ppq s LYS 1016CO 0.47 -2.07 2.26 -0.35 0.00 0.00 0.00 175.35 175.66 1ppq n PRO 1017N -3.59 1.11 -0.79 1.78 -0.04 -1.26 -4.90 135.00 127.31 1ppq n PRO 1017Ca 0.11 0.27 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 1ppq n PRO 1017Cb 0.52 -2.61 0.15 0.00 -0.04 0.00 0.00 33.50 31.52 1ppq n PRO 1017CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ppq n PRO 1018N 8.39 -0.29 -4.29 0.54 -0.02 -1.26 -5.05 135.00 133.01 1ppq n PRO 1018Ca 0.41 -0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.72 1ppq n PRO 1018Cb 0.28 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 1ppq n PRO 1018CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ppq s ILE 1019N -2.48 0.99 -0.25 4.25 1.01 -1.26 -4.94 121.20 118.52 1ppq s ILE 1019Ca 0.66 -2.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.21 1ppq s ILE 1019Cb -0.24 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1ppq s ILE 1019CO 0.58 -0.45 0.07 0.00 0.00 0.00 0.00 174.94 175.14 1ppq s GLN 1021N 1.58 2.26 0.49 0.00 2.00 -0.71 -4.95 119.66 120.32 1ppq s GLN 1021Ca 0.06 -1.53 -0.23 0.00 -2.00 0.00 0.00 55.36 51.66 1ppq s GLN 1021Cb -0.15 -3.44 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 1ppq s GLN 1021CO 0.04 -0.86 1.18 -2.13 -0.50 0.00 0.00 175.29 173.01 1ppq n ARG 1022N 4.65 1.55 -3.85 1.67 0.63 -1.26 -1.68 116.66 118.37 1ppq n ARG 1022Ca -0.08 0.56 -0.35 0.00 -0.92 0.00 0.00 57.85 57.06 1ppq n ARG 1022Cb 0.43 -2.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.91 1ppq n ARG 1022CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ppq s ILE 1023N -1.30 4.96 -1.51 5.15 -1.09 -0.39 -4.88 121.20 122.14 1ppq s ILE 1023Ca 0.67 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1ppq s ILE 1023Cb -0.48 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1ppq s ILE 1023CO 0.53 0.41 0.38 -2.65 -1.23 0.00 0.00 174.94 172.38