#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 1.79 -3.23 4.31 0.00 -1.26 -4.99 120.51 117.14 1ppq n ALA 958 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ppq n ALA 958 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ppq n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ppq s GLU 959 N -1.52 0.48 -0.20 0.00 2.56 -1.26 -5.13 118.70 113.63 1ppq s GLU 959 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 54.97 55.32 1ppq s GLU 959 Cb 0.00 0.05 -0.01 0.00 2.00 0.00 0.00 34.13 36.17 1ppq s GLU 959 CO 0.00 -0.82 0.81 0.00 -0.56 0.00 0.00 175.26 174.69 1ppq s ALA 960 N 2.71 3.58 0.13 6.30 0.00 -1.26 -5.01 121.76 128.20 1ppq s ALA 960 Ca 0.14 -0.07 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 1ppq s ALA 960 Cb -0.13 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1ppq s ALA 960 CO -0.23 -0.75 0.87 0.21 0.00 0.00 0.00 175.76 175.85 1ppq s LYS 961 N 2.41 1.20 -0.02 0.00 2.47 -1.26 -4.91 119.74 119.62 1ppq s LYS 961 Ca 0.36 -0.60 -0.02 0.00 -1.56 0.00 0.00 55.97 54.15 1ppq s LYS 961 Cb -0.16 0.45 0.01 0.00 -1.46 0.00 0.00 37.83 36.67 1ppq s LYS 961 CO 0.10 -0.54 0.04 0.43 0.16 0.00 0.00 175.35 175.54 1ppq n SER 962 N -0.40 -5.94 -4.10 1.43 7.64 -1.26 -4.82 113.62 106.16 1ppq n SER 962 Ca -0.08 1.27 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 1ppq n SER 962 Cb 0.61 -4.08 0.24 0.00 -1.01 0.00 0.00 64.21 59.97 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ppq n LYS 964 N -4.83 2.86 -1.73 0.00 4.81 -1.26 -4.80 118.16 113.21 1ppq n LYS 964 Ca 0.09 -3.85 0.00 0.00 -0.87 0.00 0.00 58.31 53.67 1ppq n LYS 964 Cb 0.58 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1ppq n LYS 964 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ppq n THR 965 N -0.69 -5.57 -2.73 3.15 -2.24 -1.26 -4.89 114.28 100.05 1ppq n THR 965 Ca 0.32 2.54 -0.41 0.00 -2.27 0.00 0.00 64.05 64.23 1ppq n THR 965 Cb 0.91 -3.43 -0.04 0.00 -2.10 0.00 0.00 70.33 65.66 1ppq n THR 965 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ppq s PRO 966 N -3.07 4.69 0.36 -0.78 0.04 -1.26 -5.02 135.00 129.96 1ppq s PRO 966 Ca 0.00 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 1ppq s PRO 966 Cb 0.00 -3.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.04 1ppq s PRO 966 CO 0.00 0.20 1.14 -2.30 0.04 0.00 0.00 177.00 176.08 1ppq n PRO 967 N 2.85 1.71 -1.53 0.56 -0.02 -1.26 -4.80 135.00 132.51 1ppq n PRO 967 Ca 0.03 0.60 -0.44 0.00 -2.02 0.00 0.00 63.50 61.66 1ppq n PRO 967 Cb 0.49 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1ppq n PRO 967 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ppq n ASP 968 N 0.72 2.55 -4.66 2.55 5.68 -1.26 -4.90 116.55 117.22 1ppq n ASP 968 Ca 0.07 0.14 -0.42 0.00 -0.50 0.00 0.00 54.79 54.08 1ppq n ASP 968 Cb 0.36 -1.43 -0.03 0.00 -1.14 0.00 0.00 41.12 38.89 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 1ppq s PRO 969 N 6.79 4.28 0.54 0.11 0.02 -1.26 -4.95 135.00 140.53 1ppq s PRO 969 Ca 1.05 1.24 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1ppq s PRO 969 Cb -0.53 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.37 1ppq s PRO 969 CO 0.39 -0.51 0.00 1.55 -0.33 0.00 0.00 177.00 178.10 1ppq n VAL 970 N 5.09 0.00 -0.33 3.83 3.14 -1.26 -2.54 118.33 126.26 1ppq n VAL 970 Ca 0.09 0.00 0.26 0.00 -2.96 0.00 0.00 64.34 61.74 1ppq n VAL 970 Cb 0.47 0.00 0.57 0.00 -1.06 0.00 0.00 33.84 33.82 1ppq n VAL 970 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1ppq h ASN 971 N 0.00 0.35 -3.43 6.55 4.21 -1.97 -3.41 115.58 117.87 1ppq h ASN 971 Ca 0.00 0.07 -0.43 0.00 1.21 0.00 0.00 56.30 57.15 1ppq h ASN 971 Cb 0.00 0.02 0.19 0.00 -1.12 0.00 0.00 38.32 37.42 1ppq h ASN 971 CO 0.00 0.04 0.06 -0.83 -1.29 0.00 0.00 177.43 175.41 1ppq s GLY 972 N -3.95 1.53 -0.03 2.83 0.00 -1.05 -4.20 107.32 102.45 1ppq s GLY 972 Ca -0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1ppq s GLY 972 CO 0.80 0.36 0.12 -3.16 0.00 0.00 0.00 173.10 171.23 1ppq s MET 973 N -4.77 0.27 0.00 2.90 0.23 -0.64 -4.13 119.30 113.17 1ppq s MET 973 Ca 0.68 -0.06 -0.21 0.00 -1.03 0.00 0.00 55.69 55.06 1ppq s MET 973 Cb -0.20 0.12 -0.05 0.00 -1.53 0.00 0.00 34.83 33.16 1ppq s MET 973 CO 0.61 -0.05 0.62 0.54 -2.03 0.00 0.00 175.02 174.71 1ppq s VAL 974 N -0.51 4.88 -0.30 5.16 0.11 -1.26 -2.86 120.40 125.62 1ppq s VAL 974 Ca -0.06 1.31 -0.16 0.00 -2.93 0.00 0.00 61.98 60.14 1ppq s VAL 974 Cb -0.04 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.83 1ppq s VAL 974 CO 0.01 0.41 0.43 -2.28 -3.33 0.00 0.00 175.10 170.34 1ppq s HIS 975 N -0.16 3.23 -0.36 1.54 2.46 -1.10 -5.00 115.29 115.89 1ppq s HIS 975 Ca 0.32 0.33 -0.20 0.00 0.47 0.00 0.00 55.06 55.98 1ppq s HIS 975 Cb -0.19 -2.70 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 1ppq s HIS 975 CO 0.18 -0.35 0.63 0.08 -2.47 0.00 0.00 174.74 172.82 1ppq s VAL 976 N 2.19 4.89 0.00 0.89 1.01 -1.26 -3.98 120.40 124.14 1ppq s VAL 976 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1ppq s VAL 976 Cb -0.16 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1ppq s VAL 976 CO 0.11 -0.32 0.90 -0.38 0.00 0.00 0.00 175.10 175.41 1ppq n ILE 977 N 5.59 0.00 0.07 2.22 5.41 -1.26 -4.91 119.36 126.48 1ppq n ILE 977 Ca -0.01 1.40 0.00 0.00 1.00 0.00 0.00 62.75 65.14 1ppq n ILE 977 Cb 0.49 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 1ppq n ILE 977 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ppq n THR 978 N -1.88 0.00 -3.46 1.39 -2.24 -1.26 -5.15 114.28 101.68 1ppq n THR 978 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ppq n THR 978 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.95 1.16 -1.94 3.42 9.92 -1.26 -5.09 116.55 119.81 1ppq n ASP 979 Ca 0.00 -0.46 -0.01 0.00 -0.53 0.00 0.00 54.79 53.79 1ppq n ASP 979 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1ppq n ASP 979 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ppq n ILE 980 N 0.00 0.28 -2.73 0.53 -5.35 -1.26 -4.99 119.36 105.84 1ppq n ILE 980 Ca 0.00 -1.15 -0.08 0.00 -0.27 0.00 0.00 62.75 61.25 1ppq n ILE 980 Cb 0.00 0.93 0.04 0.00 -1.74 0.00 0.00 39.64 38.87 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppq n GLN 981 N -0.37 0.61 -1.79 6.28 6.02 -1.26 -0.61 117.38 126.26 1ppq n GLN 981 Ca -0.09 -1.17 -0.41 0.00 -0.01 0.00 0.00 57.00 55.32 1ppq n GLN 981 Cb 0.88 -0.17 -0.00 0.00 1.02 0.00 0.00 30.24 31.97 1ppq n GLN 981 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ppq s VAL 982 N -0.73 2.02 0.00 5.09 0.11 -1.26 -2.22 120.40 123.41 1ppq s VAL 982 Ca 0.25 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1ppq s VAL 982 Cb -0.02 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1ppq s VAL 982 CO 0.16 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1ppq n GLY 983 N 0.52 2.14 3.73 6.54 0.00 -1.26 -5.03 105.19 111.83 1ppq n GLY 983 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ppq n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppq s SER 984 N -1.88 7.49 -0.43 1.61 0.01 -0.94 -5.02 113.70 114.53 1ppq s SER 984 Ca 0.00 1.78 0.02 0.00 1.31 0.00 0.00 55.95 59.06 1ppq s SER 984 Cb 0.00 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.79 1ppq s SER 984 CO 0.00 -0.08 0.27 -0.60 0.41 0.00 0.00 173.24 173.24 1ppq s ARG 985 N 0.09 1.10 0.74 12.44 3.52 -1.26 -3.56 118.95 132.02 1ppq s ARG 985 Ca 0.47 -1.94 -0.09 0.00 -0.13 0.00 0.00 55.73 54.04 1ppq s ARG 985 Cb -0.23 -1.96 0.06 0.00 -1.56 0.00 0.00 34.95 31.26 1ppq s ARG 985 CO 0.30 -1.23 1.08 0.96 -0.81 0.00 0.00 175.30 175.60 1ppq s ILE 986 N 0.36 2.39 0.02 4.11 -4.36 -1.25 -4.88 121.20 117.59 1ppq s ILE 986 Ca 0.21 -0.06 0.05 0.00 -0.26 0.00 0.00 60.65 60.59 1ppq s ILE 986 Cb -0.17 -3.08 -0.02 0.00 1.25 0.00 0.00 42.46 40.44 1ppq s ILE 986 CO -0.05 -0.10 -0.16 0.42 0.24 0.00 0.00 174.94 175.30 1ppq s THR 987 N -3.37 1.26 0.16 8.37 -4.23 -1.26 -2.18 115.64 114.40 1ppq s THR 987 Ca 0.60 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 60.09 1ppq s THR 987 Cb -0.11 -1.09 -0.07 0.00 1.34 0.00 0.00 72.50 72.57 1ppq s THR 987 CO 0.47 0.20 0.56 -0.31 -0.54 0.00 0.00 174.62 175.01 1ppq s TYR 988 N -0.61 3.58 0.25 3.99 1.51 -1.02 -2.71 117.35 122.34 1ppq s TYR 988 Ca 0.05 1.06 -0.01 0.00 -1.01 0.00 0.00 57.07 57.16 1ppq s TYR 988 Cb -0.07 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1ppq s TYR 988 CO 0.00 0.40 0.24 0.45 -1.11 0.00 0.00 175.55 175.53 1ppq s SER 989 N -1.79 0.55 0.32 2.29 0.15 -1.13 -4.87 113.70 109.21 1ppq s SER 989 Ca 0.39 -1.43 0.10 0.00 0.70 0.00 0.00 55.95 55.71 1ppq s SER 989 Cb -0.15 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1ppq s SER 989 CO 0.19 -0.97 -0.05 0.00 1.20 0.00 0.00 173.24 173.62 1ppq n THR 991 N -0.86 0.55 0.00 0.00 5.66 -1.26 -3.54 114.28 114.83 1ppq n THR 991 Ca -0.05 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ppq n THR 991 Cb 0.62 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1ppq n THR 991 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ppq n THR 992 N -1.34 0.00 0.00 1.09 -1.04 -1.26 -5.04 114.28 106.69 1ppq n THR 992 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1ppq n THR 992 Cb 0.16 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1ppq n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ppq n GLY 993 N 1.44 0.95 3.75 3.41 0.00 -1.23 -5.13 105.19 108.38 1ppq n GLY 993 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.38 2.29 0.54 1.61 3.76 -1.26 -4.93 115.29 115.92 1ppq s HIS 994 Ca 0.00 1.44 -0.22 0.00 -0.15 0.00 0.00 55.06 56.14 1ppq s HIS 994 Cb 0.00 -3.68 -0.05 0.00 1.11 0.00 0.00 32.58 29.96 1ppq s HIS 994 CO 0.00 -2.68 1.32 0.50 -0.85 0.00 0.00 174.74 173.03 1ppq s ARG 995 N -3.09 3.19 -0.23 1.40 3.52 -1.26 -4.63 118.95 117.85 1ppq s ARG 995 Ca 0.75 2.13 -0.22 0.00 -0.13 0.00 0.00 55.73 58.26 1ppq s ARG 995 Cb -0.37 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1ppq s ARG 995 CO 0.42 -1.12 0.70 -1.17 -0.81 0.00 0.00 175.30 173.32 1ppq s LEU 996 N -3.53 4.10 -1.22 -0.88 2.96 -1.26 -1.94 118.68 116.91 1ppq s LEU 996 Ca 0.71 0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 55.29 1ppq s LEU 996 Cb -0.38 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.32 1ppq s LEU 996 CO 0.44 -0.39 1.82 -0.63 -1.32 0.00 0.00 176.35 176.27 1ppq s ILE 997 N 2.41 3.84 0.00 6.68 1.09 -1.06 -4.40 121.20 129.76 1ppq s ILE 997 Ca 0.30 -1.37 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 1ppq s ILE 997 Cb -0.16 -4.88 0.00 0.00 -1.06 0.00 0.00 42.46 36.37 1ppq s ILE 997 CO 0.09 -1.54 0.00 0.61 -0.10 0.00 0.00 174.94 174.00 1ppq n GLY 998 N 5.70 -1.16 0.00 6.18 0.00 -1.26 -4.09 105.19 110.56 1ppq n GLY 998 Ca 0.46 0.52 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 0.00 1.61 8.25 -1.26 -4.98 115.22 118.84 1ppq n HIS 999 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ppq n HIS 999 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ppq n HIS 999 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ppq n SER 1000N 0.00 0.00 -3.72 0.41 2.88 -1.26 -4.86 113.62 107.06 1ppq n SER 1000Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1ppq n SER 1000Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1ppq n SER 1000CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ppq s SER 1001N 0.00 -0.12 0.33 -3.46 0.15 -1.26 -2.44 113.70 106.90 1ppq s SER 1001Ca 0.00 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.42 1ppq s SER 1001Cb 0.00 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1ppq s SER 1001CO 0.00 -0.74 -0.11 0.00 1.20 0.00 0.00 173.24 173.59 1ppq s ALA 1002N -3.34 2.93 -0.06 5.45 0.00 -0.93 -4.76 121.76 121.06 1ppq s ALA 1002Ca 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 51.96 49.94 1ppq s ALA 1002Cb 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1ppq s ALA 1002CO -0.08 0.14 -0.01 -2.00 0.00 0.00 0.00 175.76 173.80 1ppq s GLU 1003N -3.59 0.62 -0.33 0.00 2.12 -1.26 -3.82 118.70 112.43 1ppq s GLU 1003Ca 0.32 0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.42 1ppq s GLU 1003Cb 0.00 -0.86 -0.05 0.00 0.26 0.00 0.00 34.13 33.48 1ppq s GLU 1003CO 0.16 -0.22 2.23 0.00 -0.54 0.00 0.00 175.26 176.90 1ppq s ILE 1005N 9.50 1.51 -0.07 0.00 -4.36 -0.64 -4.67 121.20 122.47 1ppq s ILE 1005Ca 0.97 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 1ppq s ILE 1005Cb -0.26 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 1ppq s ILE 1005CO 0.31 0.16 1.06 -0.76 0.24 0.00 0.00 174.94 175.96 1ppq s LEU 1006N -1.14 4.28 -0.15 0.37 1.43 -1.26 -0.36 118.68 121.85 1ppq s LEU 1006Ca 0.06 1.64 0.18 0.00 -1.03 0.00 0.00 54.13 54.98 1ppq s LEU 1006Cb -0.08 -3.56 0.34 0.00 0.03 0.00 0.00 46.19 42.92 1ppq s LEU 1006CO 0.02 -0.46 1.20 -1.20 0.23 0.00 0.00 176.35 176.14 1ppq n SER 1007N 4.86 2.53 0.00 2.29 7.64 -1.16 -4.93 113.62 124.85 1ppq n SER 1007Ca 0.09 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.81 1ppq n SER 1007Cb 0.48 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppq n GLY 1008N -1.27 -0.04 0.69 0.23 0.00 -1.26 -4.84 105.19 98.69 1ppq n GLY 1008Ca 0.17 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 2.28 -3.73 1.61 4.13 -1.26 -4.90 115.26 113.39 1ppq n ASN 1009Ca 0.00 -1.69 -0.12 0.00 1.68 0.00 0.00 54.58 54.45 1ppq n ASN 1009Cb 0.00 0.10 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ppq s THR 1010N -2.13 -0.01 -0.09 3.41 2.01 -1.26 -4.84 115.64 112.73 1ppq s THR 1010Ca 0.29 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1ppq s THR 1010Cb 0.20 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1ppq s THR 1010CO 0.38 0.01 0.98 0.00 -0.69 0.00 0.00 174.62 175.30 1ppq s ALA 1011N 0.52 3.37 0.39 7.40 0.00 -1.26 -2.97 121.76 129.22 1ppq s ALA 1011Ca -0.03 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1ppq s ALA 1011Cb -0.04 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 1ppq s ALA 1011CO -0.03 -0.54 0.01 -1.01 0.00 0.00 0.00 175.76 174.19 1ppq s HIS 1012N 1.84 2.51 0.11 0.00 3.76 0.51 -4.27 115.29 119.75 1ppq s HIS 1012Ca 0.48 -0.60 -0.22 0.00 -0.15 0.00 0.00 55.06 54.57 1ppq s HIS 1012Cb -0.18 -1.69 -0.07 0.00 1.11 0.00 0.00 32.58 31.74 1ppq s HIS 1012CO 0.19 0.45 0.65 -1.58 -0.85 0.00 0.00 174.74 173.60 1ppq s TRP 1013N -2.66 3.85 -0.29 1.40 0.52 -1.26 -1.63 118.94 118.87 1ppq s TRP 1013Ca 0.35 1.42 -0.02 0.00 0.02 0.00 0.00 56.10 57.86 1ppq s TRP 1013Cb 0.07 -2.61 0.09 0.00 -1.15 0.00 0.00 33.47 29.87 1ppq s TRP 1013CO 0.18 0.56 2.45 -1.13 0.02 0.00 0.00 176.95 179.03 1ppq n SER 1014N 1.69 6.21 -4.28 2.95 3.41 -1.21 -4.84 113.62 117.55 1ppq n SER 1014Ca -0.08 -2.98 -0.32 0.00 -0.26 0.00 0.00 58.87 55.23 1ppq n SER 1014Cb 0.50 -1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 63.12 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ppq s THR 1015N -1.66 2.37 0.87 6.66 -4.23 -1.26 -4.78 115.64 113.62 1ppq s THR 1015Ca 0.41 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 1ppq s THR 1015Cb 0.27 -1.92 0.12 0.00 1.34 0.00 0.00 72.50 72.31 1ppq s THR 1015CO -0.07 0.55 1.17 -0.54 -0.54 0.00 0.00 174.62 175.19 1ppq s LYS 1016N 0.17 1.25 -0.59 3.99 1.02 -1.26 -4.80 119.74 119.52 1ppq s LYS 1016Ca -0.12 1.64 -0.32 0.00 0.02 0.00 0.00 55.97 57.19 1ppq s LYS 1016Cb -0.16 -1.74 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 1ppq s LYS 1016CO 0.07 -2.48 2.40 -0.35 -0.92 0.00 0.00 175.35 174.07 1ppq n PRO 1017N -3.87 0.69 -2.70 -1.68 -0.04 -1.26 -4.84 135.00 121.29 1ppq n PRO 1017Ca 0.13 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.29 1ppq n PRO 1017Cb 0.51 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 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 7.60 4.80 0.16 0.54 0.04 -1.26 -4.71 135.00 142.17 1ppq s PRO 1018Ca 1.15 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 63.70 1ppq s PRO 1018Cb -0.82 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 1ppq s PRO 1018CO 0.44 0.42 0.13 0.42 0.04 0.00 0.00 177.00 178.44 1ppq s ILE 1019N -0.97 0.06 -0.48 0.56 1.01 -1.26 -4.57 121.20 115.55 1ppq s ILE 1019Ca 0.43 -1.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.08 1ppq s ILE 1019Cb -0.27 -2.16 0.09 0.00 0.01 0.00 0.00 42.46 40.14 1ppq s ILE 1019CO 0.33 -0.29 0.41 0.00 0.00 0.00 0.00 174.94 175.39 1ppq h GLN 1021N 8.75 0.00 -4.03 0.00 4.15 -1.66 -3.48 115.11 118.83 1ppq h GLN 1021Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1ppq h GLN 1021Cb 1.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1ppq h GLN 1021CO 0.91 0.00 -0.79 -2.13 -1.93 0.00 0.00 178.83 174.88 1ppq n ARG 1022N -3.09 -4.36 -3.57 1.69 0.63 -1.26 -4.95 116.66 101.75 1ppq n ARG 1022Ca -0.01 3.23 -0.39 0.00 -0.92 0.00 0.00 57.85 59.75 1ppq n ARG 1022Cb 0.19 -3.78 -0.11 0.00 0.45 0.00 0.00 32.46 29.22 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 -0.46 5.18 -2.00 5.15 1.01 -1.26 -4.93 121.20 123.89 1ppq s ILE 1023Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 60.65 60.66 1ppq s ILE 1023Cb 0.00 -3.60 0.41 0.00 0.01 0.00 0.00 42.46 39.28 1ppq s ILE 1023CO 0.00 0.08 1.28 -0.81 0.00 0.00 0.00 174.94 175.49