#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 2.45 -0.86 -1.84 0.00 -1.26 -4.90 120.51 114.10 1ppq n ALA 958 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.90 1ppq n ALA 958 Cb 0.00 -0.26 0.38 0.00 0.00 0.00 0.00 19.45 19.57 1ppq n ALA 958 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ppq n GLU 959 N 0.05 4.43 0.00 0.00 0.28 -1.26 -4.58 120.64 119.56 1ppq n GLU 959 Ca -0.06 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 1ppq n GLU 959 Cb 0.66 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1ppq n GLU 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ppq n ALA 960 N 0.57 2.83 -3.23 -1.84 0.00 -1.26 -5.09 120.51 112.50 1ppq n ALA 960 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1ppq n ALA 960 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.53 1ppq n ALA 960 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ppq s LYS 961 N -0.83 0.35 0.00 0.00 2.20 -1.26 -5.02 119.74 115.18 1ppq s LYS 961 Ca 0.00 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1ppq s LYS 961 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1ppq s LYS 961 CO 0.00 -0.31 0.00 -1.13 -0.36 0.00 0.00 175.35 173.55 1ppq n SER 962 N 5.36 0.00 -4.89 1.43 3.41 -1.26 -4.89 113.62 112.78 1ppq n SER 962 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.20 1ppq n SER 962 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppq n LYS 964 N 1.36 2.10 -1.62 0.00 2.85 -1.26 -4.83 118.16 116.77 1ppq n LYS 964 Ca -0.14 -0.90 0.00 0.00 -1.05 0.00 0.00 58.31 56.22 1ppq n LYS 964 Cb 0.53 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1ppq n LYS 964 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ppq n THR 965 N 0.18 -5.34 -2.56 0.58 -2.24 -1.26 -4.89 114.28 98.74 1ppq n THR 965 Ca 0.08 2.42 -0.40 0.00 -2.27 0.00 0.00 64.05 63.87 1ppq n THR 965 Cb 0.53 -3.30 -0.05 0.00 -2.10 0.00 0.00 70.33 65.41 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 -3.46 4.69 0.29 -0.78 0.04 -1.26 -5.01 135.00 129.51 1ppq s PRO 966 Ca 0.00 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1ppq s PRO 966 Cb 0.00 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1ppq s PRO 966 CO 0.00 0.28 1.33 -1.25 0.04 0.00 0.00 177.00 177.39 1ppq s PRO 967 N -1.22 4.35 -0.12 0.56 0.04 -1.26 -4.92 135.00 132.43 1ppq s PRO 967 Ca 0.44 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 1ppq s PRO 967 Cb -0.30 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1ppq s PRO 967 CO 0.38 -0.23 2.11 -0.25 0.04 0.00 0.00 177.00 179.04 1ppq n ASP 968 N 1.38 3.55 -4.69 6.66 8.00 -1.26 -4.95 116.55 125.24 1ppq n ASP 968 Ca 0.02 0.53 -0.30 0.00 0.71 0.00 0.00 54.79 55.75 1ppq n ASP 968 Cb 0.42 -1.52 0.15 0.00 -0.02 0.00 0.00 41.12 40.15 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ppq s PRO 969 N 5.48 1.14 0.25 -0.24 0.04 -1.26 -4.93 135.00 135.48 1ppq s PRO 969 Ca 0.96 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1ppq s PRO 969 Cb -0.43 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1ppq s PRO 969 CO 0.40 -2.37 1.48 0.54 0.04 0.00 0.00 177.00 177.09 1ppq s VAL 970 N -2.83 2.56 -1.30 -0.36 0.11 -1.26 -1.78 120.40 115.53 1ppq s VAL 970 Ca 0.64 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1ppq s VAL 970 Cb -0.19 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1ppq s VAL 970 CO 0.58 0.07 0.00 0.59 -3.33 0.00 0.00 175.10 173.01 1ppq n ASN 971 N 2.49 -4.92 -4.33 3.54 3.02 -1.26 -4.45 115.26 109.35 1ppq n ASN 971 Ca 0.08 0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.76 1ppq n ASN 971 Cb 0.40 -3.90 -0.10 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.28 1.38 -0.28 7.41 0.00 -0.73 -0.67 107.32 112.15 1ppq s GLY 972 Ca 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.08 1ppq s GLY 972 CO 0.00 -1.72 0.38 -3.16 0.00 0.00 0.00 173.10 168.61 1ppq s MET 973 N -3.70 0.39 1.03 2.90 0.23 -1.26 -4.27 119.30 114.62 1ppq s MET 973 Ca 0.22 0.11 -0.13 0.00 -1.03 0.00 0.00 55.69 54.86 1ppq s MET 973 Cb 0.01 -0.40 0.15 0.00 -1.53 0.00 0.00 34.83 33.06 1ppq s MET 973 CO 0.06 -0.99 0.71 1.33 -2.03 0.00 0.00 175.02 174.10 1ppq n VAL 974 N 5.35 0.00 -3.83 5.16 0.24 -1.26 -4.08 118.33 119.90 1ppq n VAL 974 Ca -0.00 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.74 1ppq n VAL 974 Cb 0.49 -0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 31.91 1ppq n VAL 974 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1ppq s HIS 975 N -2.44 3.47 -0.28 6.34 3.76 -0.87 -4.89 115.29 120.37 1ppq s HIS 975 Ca 0.63 -2.78 -0.29 0.00 -0.15 0.00 0.00 55.06 52.48 1ppq s HIS 975 Cb -0.21 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 1ppq s HIS 975 CO 0.64 -0.87 1.83 0.08 -0.85 0.00 0.00 174.74 175.56 1ppq s VAL 976 N 0.38 3.44 0.03 -0.90 1.01 -1.26 -4.07 120.40 119.03 1ppq s VAL 976 Ca 0.14 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 1ppq s VAL 976 Cb -0.22 -3.54 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1ppq s VAL 976 CO -0.04 -0.32 1.24 0.40 0.00 0.00 0.00 175.10 176.39 1ppq h ILE 977 N 6.68 0.00 0.00 2.22 1.08 -1.97 -3.46 117.51 122.07 1ppq h ILE 977 Ca -0.35 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1ppq h ILE 977 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1ppq h ILE 977 CO 1.01 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 178.88 1ppq n THR 978 N -4.45 0.00 -3.81 -0.27 -1.04 -1.26 -5.15 114.28 98.29 1ppq n THR 978 Ca -0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.90 1ppq n THR 978 Cb 0.33 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ppq n ASP 979 N -0.66 -0.06 -1.38 8.00 8.00 -1.26 -5.08 116.55 124.11 1ppq n ASP 979 Ca 0.00 -1.11 0.02 0.00 0.71 0.00 0.00 54.79 54.41 1ppq n ASP 979 Cb 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1ppq n ASP 979 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ppq n ILE 980 N -0.03 0.00 -3.51 0.53 -6.64 -1.26 -4.92 119.36 103.53 1ppq n ILE 980 Ca 0.00 -0.79 -0.06 0.00 -1.77 0.00 0.00 62.75 60.14 1ppq n ILE 980 Cb 0.03 0.89 0.00 0.00 -1.44 0.00 0.00 39.64 39.13 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ppq n GLN 981 N 0.39 1.25 -1.96 6.28 6.02 -1.26 -2.87 117.38 125.24 1ppq n GLN 981 Ca -0.00 -0.77 -0.42 0.00 -0.01 0.00 0.00 57.00 55.80 1ppq n GLN 981 Cb 1.05 0.07 -0.02 0.00 1.02 0.00 0.00 30.24 32.35 1ppq n GLN 981 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ppq s VAL 982 N -0.50 2.58 0.00 5.09 1.01 -1.26 -2.26 120.40 125.06 1ppq s VAL 982 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ppq s VAL 982 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1ppq s VAL 982 CO 0.05 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1ppq n GLY 983 N 2.81 2.06 3.74 4.51 0.00 -1.26 -5.06 105.19 111.99 1ppq n GLY 983 Ca 0.10 0.00 -0.35 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 -1.58 6.13 -0.45 1.61 1.04 -0.96 -5.06 113.70 114.43 1ppq s SER 984 Ca 0.00 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.71 1ppq s SER 984 Cb 0.00 -2.06 0.12 0.00 0.10 0.00 0.00 66.02 64.18 1ppq s SER 984 CO 0.00 0.22 0.18 -0.60 0.98 0.00 0.00 173.24 174.02 1ppq s ARG 985 N 0.12 1.80 0.65 4.02 3.52 -1.26 -4.04 118.95 123.76 1ppq s ARG 985 Ca 0.08 -2.34 -0.03 0.00 -0.13 0.00 0.00 55.73 53.32 1ppq s ARG 985 Cb -0.11 -3.28 0.07 0.00 -1.56 0.00 0.00 34.95 30.06 1ppq s ARG 985 CO -0.01 -1.05 0.92 0.96 -0.81 0.00 0.00 175.30 175.32 1ppq s ILE 986 N 0.17 2.40 0.02 4.11 -4.36 -1.26 -4.85 121.20 117.42 1ppq s ILE 986 Ca 0.15 -0.48 -0.02 0.00 -0.26 0.00 0.00 60.65 60.04 1ppq s ILE 986 Cb -0.23 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.54 1ppq s ILE 986 CO -0.03 0.00 0.02 0.42 0.24 0.00 0.00 174.94 175.59 1ppq s THR 987 N -3.06 0.10 -0.11 8.37 -4.23 -1.26 -2.86 115.64 112.60 1ppq s THR 987 Ca 0.61 -0.86 -0.24 0.00 -1.18 0.00 0.00 61.69 60.01 1ppq s THR 987 Cb -0.09 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 1ppq s THR 987 CO 0.42 -0.47 0.77 -0.31 -0.54 0.00 0.00 174.62 174.49 1ppq s TYR 988 N -1.49 3.51 -0.08 3.99 2.02 -1.07 -2.06 117.35 122.17 1ppq s TYR 988 Ca -0.15 1.27 -0.01 0.00 -0.37 0.00 0.00 57.07 57.80 1ppq s TYR 988 Cb -0.09 -2.91 -0.00 0.00 -0.40 0.00 0.00 41.96 38.56 1ppq s TYR 988 CO -0.00 -0.06 -0.02 1.03 -1.57 0.00 0.00 175.55 174.93 1ppq h SER 989 N 7.03 0.00 -4.34 2.29 0.87 -1.89 -3.44 113.55 114.06 1ppq h SER 989 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ppq h SER 989 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ppq h SER 989 CO 0.78 0.39 -0.94 0.00 -0.53 0.00 0.00 176.83 176.53 1ppq n THR 991 N 1.16 3.55 -1.66 0.00 5.66 0.15 -4.82 114.28 118.33 1ppq n THR 991 Ca 0.00 -0.50 -0.47 0.00 -3.05 0.00 0.00 64.05 60.03 1ppq n THR 991 Cb 0.00 -1.34 -0.04 0.00 -1.55 0.00 0.00 70.33 67.39 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 -1.26 0.04 0.00 1.09 -1.04 -1.26 -2.30 114.28 109.55 1ppq n THR 992 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ppq n THR 992 Cb 0.45 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 3.24 0.99 3.10 3.41 0.00 -1.26 -5.10 105.19 109.57 1ppq n GLY 993 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 0.95 0.38 1.61 4.02 -0.98 -3.92 115.29 115.36 1ppq s HIS 994 Ca 0.00 -0.40 0.07 0.00 1.02 0.00 0.00 55.06 55.76 1ppq s HIS 994 Cb 0.00 -0.56 -0.01 0.00 -1.02 0.00 0.00 32.58 30.99 1ppq s HIS 994 CO 0.00 -0.00 0.44 1.03 1.02 0.00 0.00 174.74 177.23 1ppq s ARG 995 N -1.32 2.81 -0.23 1.40 1.81 -0.61 -4.80 118.95 118.01 1ppq s ARG 995 Ca -0.03 -1.26 -0.14 0.00 -1.72 0.00 0.00 55.73 52.58 1ppq s ARG 995 Cb -0.08 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.74 1ppq s ARG 995 CO 0.01 -0.09 0.30 -0.51 -0.68 0.00 0.00 175.30 174.32 1ppq s LEU 996 N -4.18 4.12 -0.28 2.53 2.01 -1.26 -0.59 118.68 121.03 1ppq s LEU 996 Ca 0.48 0.31 -0.03 0.00 0.01 0.00 0.00 54.13 54.90 1ppq s LEU 996 Cb -0.07 -2.33 0.04 0.00 0.01 0.00 0.00 46.19 43.83 1ppq s LEU 996 CO 0.30 -0.04 2.62 -0.38 1.01 0.00 0.00 176.35 179.86 1ppq n ILE 997 N 4.45 2.96 0.00 -0.59 2.08 -0.71 -4.63 119.36 122.92 1ppq n ILE 997 Ca -0.11 -2.04 0.00 0.00 0.56 0.00 0.00 62.75 61.16 1ppq n ILE 997 Cb 0.51 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 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 1.08 -0.48 0.00 7.39 0.00 -1.26 -4.40 105.19 107.51 1ppq n GLY 998 Ca 0.37 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.21 1.61 -0.00 -1.26 -5.00 115.22 109.35 1ppq n HIS 999 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 1ppq n HIS 999 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1ppq n HIS 999 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ppq n SER 1000N 0.00 -5.41 -3.59 0.26 2.88 -1.26 -4.91 113.62 101.59 1ppq n SER 1000Ca 0.00 0.18 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 1ppq n SER 1000Cb 0.00 -3.56 -0.07 0.00 -0.75 0.00 0.00 64.21 59.84 1ppq n SER 1000CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ppq s SER 1001N -2.33 -0.64 0.15 -3.46 0.01 -1.26 -2.61 113.70 103.55 1ppq s SER 1001Ca 0.00 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.15 1ppq s SER 1001Cb 0.00 0.87 -0.03 0.00 0.21 0.00 0.00 66.02 67.07 1ppq s SER 1001CO 0.00 -0.44 0.15 0.00 0.41 0.00 0.00 173.24 173.36 1ppq s ALA 1002N -0.55 0.52 -0.02 1.44 0.00 -1.14 -4.57 121.76 117.45 1ppq s ALA 1002Ca -0.07 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1ppq s ALA 1002Cb -0.02 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.00 1ppq s ALA 1002CO 0.06 -0.55 0.03 -2.00 0.00 0.00 0.00 175.76 173.29 1ppq s GLU 1003N -4.02 -0.03 -0.53 0.00 2.12 -1.26 -4.07 118.70 110.91 1ppq s GLU 1003Ca 0.22 0.19 -0.28 0.00 0.36 0.00 0.00 54.97 55.46 1ppq s GLU 1003Cb 0.06 -0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.17 1ppq s GLU 1003CO 0.01 -0.18 1.62 0.00 -0.54 0.00 0.00 175.26 176.18 1ppq s ILE 1005N 7.14 1.06 0.15 0.00 -4.36 -0.77 -4.18 121.20 120.24 1ppq s ILE 1005Ca 0.62 -0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 59.78 1ppq s ILE 1005Cb -0.14 -0.96 -0.07 0.00 1.25 0.00 0.00 42.46 42.54 1ppq s ILE 1005CO 0.25 0.01 0.87 -0.76 0.24 0.00 0.00 174.94 175.55 1ppq s LEU 1006N -1.08 4.56 -0.30 0.37 1.02 -1.26 -2.00 118.68 119.99 1ppq s LEU 1006Ca 0.01 1.74 0.08 0.00 0.02 0.00 0.00 54.13 55.98 1ppq s LEU 1006Cb -0.08 -3.45 0.49 0.00 0.02 0.00 0.00 46.19 43.17 1ppq s LEU 1006CO 0.01 0.09 1.42 -1.20 0.02 0.00 0.00 176.35 176.69 1ppq n SER 1007N 2.11 2.75 0.00 2.29 7.64 -0.78 -4.96 113.62 122.66 1ppq n SER 1007Ca -0.02 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1ppq n SER 1007Cb 0.49 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.08 1.75 0.69 0.23 0.00 -1.26 -4.62 105.19 100.90 1ppq n GLY 1008Ca 0.33 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 2.96 -3.67 1.61 4.13 -1.26 -4.92 115.26 114.11 1ppq n ASN 1009Ca 0.00 -1.97 -0.11 0.00 1.68 0.00 0.00 54.58 54.18 1ppq n ASN 1009Cb 0.00 -0.24 -0.11 0.00 -1.54 0.00 0.00 39.78 37.89 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 -1.00 -0.43 -0.22 3.41 2.01 -1.26 -4.77 115.64 113.38 1ppq s THR 1010Ca 0.25 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.31 1ppq s THR 1010Cb 0.13 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1ppq s THR 1010CO 0.17 0.08 0.31 0.00 -0.69 0.00 0.00 174.62 174.50 1ppq s ALA 1011N 2.28 3.58 0.32 7.40 0.00 -1.26 -1.86 121.76 132.22 1ppq s ALA 1011Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1ppq s ALA 1011Cb -0.11 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1ppq s ALA 1011CO -0.11 -0.27 0.32 -3.38 0.00 0.00 0.00 175.76 172.32 1ppq s HIS 1012N 1.23 1.49 0.14 0.00 -3.43 -0.85 -3.98 115.29 109.89 1ppq s HIS 1012Ca 0.15 -1.53 -0.24 0.00 -0.80 0.00 0.00 55.06 52.64 1ppq s HIS 1012Cb -0.14 -0.52 -0.07 0.00 -1.43 0.00 0.00 32.58 30.42 1ppq s HIS 1012CO 0.07 -0.92 0.73 -1.58 -2.00 0.00 0.00 174.74 171.04 1ppq s TRP 1013N -3.42 3.87 0.00 0.38 0.52 -1.26 -1.84 118.94 117.19 1ppq s TRP 1013Ca 0.38 1.54 0.00 0.00 0.02 0.00 0.00 56.10 58.04 1ppq s TRP 1013Cb 0.02 -2.72 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 1ppq s TRP 1013CO 0.24 0.51 0.78 0.43 0.02 0.00 0.00 176.95 178.93 1ppq n SER 1014N 1.73 0.00 -4.76 2.95 7.64 -0.85 -4.67 113.62 115.66 1ppq n SER 1014Ca -0.06 0.78 -0.41 0.00 1.01 0.00 0.00 58.87 60.19 1ppq n SER 1014Cb 0.49 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.13 2.56 0.72 0.44 -4.23 -1.26 -4.98 115.64 106.76 1ppq s THR 1015Ca 0.00 0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 1ppq s THR 1015Cb 0.00 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.54 1ppq s THR 1015CO 0.00 0.11 1.20 -1.59 -0.54 0.00 0.00 174.62 173.80 1ppq s LYS 1016N -1.30 2.19 -0.42 3.99 0.00 -1.26 -4.88 119.74 118.05 1ppq s LYS 1016Ca 0.54 1.75 -0.27 0.00 0.00 0.00 0.00 55.97 57.99 1ppq s LYS 1016Cb -0.42 -1.84 -0.05 0.00 0.00 0.00 0.00 37.83 35.52 1ppq s LYS 1016CO 0.51 -1.80 2.25 -1.25 0.00 0.00 0.00 175.35 175.06 1ppq s PRO 1017N -3.90 2.52 0.54 1.78 0.04 -1.26 -4.85 135.00 129.87 1ppq s PRO 1017Ca 0.74 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 1ppq s PRO 1017Cb -0.29 -4.48 -0.06 0.00 0.04 0.00 0.00 34.50 29.71 1ppq s PRO 1017CO 0.45 -2.80 1.02 -2.14 0.04 0.00 0.00 177.00 173.57 1ppq s PRO 1018N 7.42 3.67 0.42 0.56 0.02 -1.26 -5.03 135.00 140.80 1ppq s PRO 1018Ca 0.93 1.16 -0.00 0.00 0.02 0.00 0.00 61.00 63.11 1ppq s PRO 1018Cb -0.21 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1ppq s PRO 1018CO 0.28 -0.52 0.64 0.42 -0.33 0.00 0.00 177.00 177.50 1ppq s ILE 1019N -2.37 4.45 -0.62 2.83 1.01 -1.26 -4.81 121.20 120.42 1ppq s ILE 1019Ca 0.63 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 1ppq s ILE 1019Cb -0.14 -3.64 0.16 0.00 0.01 0.00 0.00 42.46 38.85 1ppq s ILE 1019CO 0.30 -0.46 0.55 0.00 0.00 0.00 0.00 174.94 175.33 1ppq s GLN 1021N 1.04 4.16 -1.14 0.00 2.00 0.25 -4.70 119.66 121.26 1ppq s GLN 1021Ca 0.09 2.49 -0.16 0.00 -2.00 0.00 0.00 55.36 55.78 1ppq s GLN 1021Cb -0.23 -3.69 0.15 0.00 0.80 0.00 0.00 33.01 30.04 1ppq s GLN 1021CO -0.02 -0.82 1.39 0.50 -0.50 0.00 0.00 175.29 175.84 1ppq s ARG 1022N 3.01 3.95 0.45 1.67 3.00 -1.26 -1.57 118.95 128.21 1ppq s ARG 1022Ca 0.79 -2.30 -0.25 0.00 -1.00 0.00 0.00 55.73 52.98 1ppq s ARG 1022Cb -0.43 -5.08 -0.08 0.00 0.00 0.00 0.00 34.95 29.37 1ppq s ARG 1022CO 0.35 -1.82 1.37 0.96 0.00 0.00 0.00 175.30 176.16 1ppq s ILE 1023N 2.16 2.29 -2.00 4.11 -4.36 -1.25 -5.08 121.20 117.06 1ppq s ILE 1023Ca 0.41 0.25 0.15 0.00 -0.26 0.00 0.00 60.65 61.20 1ppq s ILE 1023Cb -0.03 -3.14 0.44 0.00 1.25 0.00 0.00 42.46 40.98 1ppq s ILE 1023CO -0.02 0.03 1.33 -0.81 0.24 0.00 0.00 174.94 175.71