#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 -2.43 0.27 0.62 0.00 -1.26 -4.78 120.51 112.94 1ppq n ALA 958 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 53.44 54.34 1ppq n ALA 958 Cb 0.00 -2.00 0.32 0.00 0.00 0.00 0.00 19.45 17.77 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 1.65 0.07 0.00 0.00 0.28 -1.26 -4.86 120.64 116.52 1ppq n GLU 959 Ca -0.08 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 1ppq n GLU 959 Cb 0.13 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.62 0.00 -3.14 -1.84 0.00 -1.26 -4.60 120.51 108.05 1ppq n ALA 960 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1ppq n ALA 960 Cb 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 0.73 -0.03 0.00 2.47 -1.26 -5.15 119.74 116.49 1ppq s LYS 961 Ca 0.00 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.10 1ppq s LYS 961 Cb 0.00 0.32 0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1ppq s LYS 961 CO 0.00 -0.22 -0.03 -1.54 0.16 0.00 0.00 175.35 173.72 1ppq s SER 962 N -1.64 0.75 0.40 1.43 1.04 -1.26 -3.44 113.70 110.98 1ppq s SER 962 Ca -0.10 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.00 1ppq s SER 962 Cb -0.03 -0.33 -0.09 0.00 0.10 0.00 0.00 66.02 65.66 1ppq s SER 962 CO 0.01 -0.05 1.03 0.00 0.98 0.00 0.00 173.24 175.22 1ppq s LYS 964 N -2.57 0.21 0.28 0.00 1.02 -1.26 -4.74 119.74 112.68 1ppq s LYS 964 Ca 0.58 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1ppq s LYS 964 Cb -0.20 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1ppq s LYS 964 CO 0.26 -1.03 0.00 2.41 -0.92 0.00 0.00 175.35 176.07 1ppq n THR 965 N 5.19 0.00 -1.48 2.17 -1.04 -1.26 -5.05 114.28 112.80 1ppq n THR 965 Ca -0.05 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1ppq n THR 965 Cb 0.42 -0.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.80 1ppq n THR 965 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ppq n PRO 966 N -3.09 0.77 -0.15 -2.82 -0.02 -1.26 -4.94 135.00 123.50 1ppq n PRO 966 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ppq n PRO 966 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1ppq n PRO 966 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ppq n PRO 967 N 8.47 1.39 -3.23 0.52 -0.04 -1.26 -5.04 135.00 135.81 1ppq n PRO 967 Ca 0.47 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.48 1ppq n PRO 967 Cb 0.26 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 1ppq n PRO 967 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ppq s ASP 968 N -1.00 6.19 0.35 3.54 2.15 -1.26 -4.51 116.67 122.12 1ppq s ASP 968 Ca 0.00 -1.31 -0.29 0.00 0.43 0.00 0.00 52.55 51.38 1ppq s ASP 968 Cb 0.00 -2.25 -0.11 0.00 -0.30 0.00 0.00 42.92 40.25 1ppq s ASP 968 CO 0.00 -0.89 1.53 -0.81 -0.17 0.00 0.00 175.17 174.83 1ppq n PRO 969 N 5.81 2.69 -1.71 4.34 -0.04 -1.26 -4.91 135.00 139.92 1ppq n PRO 969 Ca -0.10 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 63.87 1ppq n PRO 969 Cb 0.43 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1ppq n PRO 969 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ppq n VAL 970 N 1.04 0.57 -3.56 0.52 3.14 -1.26 -2.67 118.33 116.11 1ppq n VAL 970 Ca 0.04 -0.14 -0.26 0.00 -2.96 0.00 0.00 64.34 61.01 1ppq n VAL 970 Cb 0.38 -1.81 0.05 0.00 -1.06 0.00 0.00 33.84 31.41 1ppq n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ppq n ASN 971 N 2.84 -5.43 0.00 6.55 3.02 -1.26 -4.74 115.26 116.24 1ppq n ASN 971 Ca 0.12 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1ppq n ASN 971 Cb 0.34 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 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 -1.55 -0.56 3.61 7.41 0.00 -1.09 -0.83 105.19 112.19 1ppq n GLY 972 Ca -0.10 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.17 0.71 0.21 1.61 0.23 -1.07 -4.63 119.30 115.19 1ppq s MET 973 Ca 0.00 0.66 -0.16 0.00 -1.03 0.00 0.00 55.69 55.16 1ppq s MET 973 Cb 0.00 0.34 -0.08 0.00 -1.53 0.00 0.00 34.83 33.57 1ppq s MET 973 CO 0.00 -0.12 0.64 0.54 -2.03 0.00 0.00 175.02 174.05 1ppq s VAL 974 N -0.04 4.74 -0.41 5.16 0.11 -1.26 -3.38 120.40 125.32 1ppq s VAL 974 Ca -0.00 0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 59.95 1ppq s VAL 974 Cb -0.04 -3.74 0.09 0.00 -1.53 0.00 0.00 36.38 31.17 1ppq s VAL 974 CO -0.01 0.12 0.22 -1.00 -3.33 0.00 0.00 175.10 171.10 1ppq s HIS 975 N -1.62 3.45 -0.46 1.54 3.76 -0.58 -5.02 115.29 116.36 1ppq s HIS 975 Ca 0.44 -2.00 -0.28 0.00 -0.15 0.00 0.00 55.06 53.07 1ppq s HIS 975 Cb -0.14 -3.06 0.03 0.00 1.11 0.00 0.00 32.58 30.52 1ppq s HIS 975 CO 0.20 -0.92 1.05 0.08 -0.85 0.00 0.00 174.74 174.30 1ppq s VAL 976 N 1.28 4.33 0.07 -0.90 1.01 -1.26 -2.82 120.40 122.11 1ppq s VAL 976 Ca 0.05 1.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.78 1ppq s VAL 976 Cb -0.23 -4.52 -0.19 0.00 0.00 0.00 0.00 36.38 31.44 1ppq s VAL 976 CO -0.01 -0.90 1.61 0.40 0.00 0.00 0.00 175.10 176.19 1ppq h ILE 977 N 6.14 0.32 0.00 2.22 1.08 -1.96 -3.45 117.51 121.86 1ppq h ILE 977 Ca -0.23 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1ppq h ILE 977 Cb 1.07 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1ppq h ILE 977 CO 1.08 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 178.95 1ppq n THR 978 N -5.48 0.00 -3.43 -0.27 -1.04 -1.26 -5.16 114.28 97.64 1ppq n THR 978 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1ppq n THR 978 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.87 0.00 -2.50 8.00 8.00 -1.26 -5.09 116.55 122.84 1ppq n ASP 979 Ca 0.00 -0.86 -0.00 0.00 0.71 0.00 0.00 54.79 54.63 1ppq n ASP 979 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.00 0.69 -3.68 0.53 -5.35 -1.26 -4.87 119.36 105.42 1ppq n ILE 980 Ca 0.00 -1.98 -0.16 0.00 -0.27 0.00 0.00 62.75 60.34 1ppq n ILE 980 Cb 0.00 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.65 0.97 -1.81 6.28 6.02 -1.26 -1.15 117.38 125.78 1ppq n GLN 981 Ca -0.02 -2.10 -0.41 0.00 -0.01 0.00 0.00 57.00 54.46 1ppq n GLN 981 Cb 0.86 0.19 -0.01 0.00 1.02 0.00 0.00 30.24 32.31 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 -1.64 2.11 0.00 5.09 1.01 -1.22 -1.67 120.40 124.08 1ppq s VAL 982 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ppq s VAL 982 Cb -0.02 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ppq s VAL 982 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1ppq n GLY 983 N 1.37 1.68 3.76 4.51 0.00 -1.25 -5.03 105.19 110.23 1ppq n GLY 983 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.08 6.55 -0.29 1.61 0.01 -0.67 -5.00 113.70 112.84 1ppq s SER 984 Ca 0.00 0.66 0.03 0.00 1.31 0.00 0.00 55.95 57.94 1ppq s SER 984 Cb 0.00 -2.21 0.08 0.00 0.21 0.00 0.00 66.02 64.10 1ppq s SER 984 CO 0.00 0.14 -0.03 -0.60 0.41 0.00 0.00 173.24 173.16 1ppq s ARG 985 N 0.12 1.79 0.75 12.44 3.52 -1.26 -3.44 118.95 132.87 1ppq s ARG 985 Ca 0.20 -1.48 -0.03 0.00 -0.13 0.00 0.00 55.73 54.28 1ppq s ARG 985 Cb -0.14 -2.92 0.13 0.00 -1.56 0.00 0.00 34.95 30.47 1ppq s ARG 985 CO 0.07 -0.73 1.04 0.96 -0.81 0.00 0.00 175.30 175.83 1ppq s ILE 986 N 1.10 2.13 -0.03 4.11 -4.36 -1.24 -4.80 121.20 118.11 1ppq s ILE 986 Ca -0.00 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1ppq s ILE 986 Cb -0.19 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.89 1ppq s ILE 986 CO -0.07 0.00 -0.03 0.42 0.24 0.00 0.00 174.94 175.50 1ppq s THR 987 N -3.26 0.35 0.18 8.37 -4.23 -1.13 -2.90 115.64 113.02 1ppq s THR 987 Ca 0.67 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1ppq s THR 987 Cb -0.05 -0.39 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 1ppq s THR 987 CO 0.46 0.17 0.39 -0.31 -0.54 0.00 0.00 174.62 174.78 1ppq s TYR 988 N 0.78 3.48 -0.10 3.99 2.02 -1.24 -1.53 117.35 124.75 1ppq s TYR 988 Ca -0.09 0.43 -0.17 0.00 -0.37 0.00 0.00 57.07 56.87 1ppq s TYR 988 Cb -0.12 -1.92 0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1ppq s TYR 988 CO -0.01 0.40 0.42 -1.54 -1.57 0.00 0.00 175.55 173.25 1ppq s SER 989 N -2.86 -0.39 0.39 2.29 1.04 -1.22 -4.69 113.70 108.27 1ppq s SER 989 Ca 0.40 0.58 0.08 0.00 0.48 0.00 0.00 55.95 57.48 1ppq s SER 989 Cb -0.11 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1ppq s SER 989 CO 0.27 -0.32 0.31 0.00 0.98 0.00 0.00 173.24 174.49 1ppq n THR 991 N -1.43 0.76 -1.86 0.00 -2.24 -0.01 -4.87 114.28 104.63 1ppq n THR 991 Ca 0.01 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1ppq n THR 991 Cb 0.62 -1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 1ppq n THR 991 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ppq s THR 992 N -2.41 2.26 0.00 4.28 2.01 -1.26 -2.46 115.64 118.06 1ppq s THR 992 Ca 0.68 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1ppq s THR 992 Cb -0.25 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1ppq s THR 992 CO 0.57 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 1ppq n GLY 993 N 2.03 0.82 3.49 4.40 0.00 -1.26 -5.08 105.19 109.59 1ppq n GLY 993 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.09 1.99 -0.05 1.61 4.02 -1.03 -3.95 115.29 115.79 1ppq s HIS 994 Ca 0.00 -0.97 -0.00 0.00 1.02 0.00 0.00 55.06 55.11 1ppq s HIS 994 Cb 0.00 -1.33 0.03 0.00 -1.02 0.00 0.00 32.58 30.25 1ppq s HIS 994 CO 0.00 0.02 -0.02 0.50 1.02 0.00 0.00 174.74 176.26 1ppq s ARG 995 N -3.85 0.61 0.02 1.40 6.06 -1.26 -4.93 118.95 116.99 1ppq s ARG 995 Ca 0.33 0.02 -0.30 0.00 -2.50 0.00 0.00 55.73 53.28 1ppq s ARG 995 Cb 0.08 -0.80 -0.07 0.00 0.06 0.00 0.00 34.95 34.22 1ppq s ARG 995 CO 0.15 -0.18 1.54 -1.17 -2.50 0.00 0.00 175.30 173.14 1ppq s LEU 996 N 1.35 4.33 -1.31 -0.88 2.96 -1.26 -3.36 118.68 120.52 1ppq s LEU 996 Ca -0.05 2.28 -0.17 0.00 -0.22 0.00 0.00 54.13 55.97 1ppq s LEU 996 Cb -0.13 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.08 1ppq s LEU 996 CO -0.02 -0.82 1.78 -0.38 -1.32 0.00 0.00 176.35 175.59 1ppq n ILE 997 N 4.84 3.91 0.00 6.68 -0.00 -1.11 -4.69 119.36 128.99 1ppq n ILE 997 Ca 0.15 -4.02 0.00 0.00 -0.00 0.00 0.00 62.75 58.88 1ppq n ILE 997 Cb 0.42 -2.40 0.00 0.00 -0.00 0.00 0.00 39.64 37.66 1ppq n ILE 997 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ppq n GLY 998 N 5.04 0.24 0.00 7.39 0.00 -1.26 -4.48 105.19 112.13 1ppq n GLY 998 Ca 0.48 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -1.64 1.61 8.25 -1.26 -4.99 115.22 117.19 1ppq n HIS 999 Ca 0.00 -0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 1ppq n HIS 999 Cb 0.00 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.05 -5.20 -2.16 0.41 2.88 -1.26 -4.88 113.62 103.35 1ppq n SER 1000Ca 0.00 0.45 -0.06 0.00 -1.33 0.00 0.00 58.87 57.92 1ppq n SER 1000Cb 0.27 -4.60 0.01 0.00 -0.75 0.00 0.00 64.21 59.14 1ppq n SER 1000CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ppq n SER 1001N -1.29 -1.36 -3.59 -3.46 7.64 -1.26 -3.64 113.62 106.66 1ppq n SER 1001Ca -0.20 -2.05 -0.09 0.00 1.01 0.00 0.00 58.87 57.53 1ppq n SER 1001Cb 0.65 2.29 -0.05 0.00 -1.01 0.00 0.00 64.21 66.09 1ppq n SER 1001CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ppq s ALA 1002N -1.81 -1.96 -0.11 -0.43 0.00 -1.14 -4.73 121.76 111.57 1ppq s ALA 1002Ca 0.12 1.65 -0.00 0.00 0.00 0.00 0.00 51.96 53.72 1ppq s ALA 1002Cb -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1ppq s ALA 1002CO 0.09 -0.29 -0.08 -2.00 0.00 0.00 0.00 175.76 173.47 1ppq s GLU 1003N -0.99 1.60 -0.58 0.00 2.12 -1.26 -3.62 118.70 115.97 1ppq s GLU 1003Ca 0.00 -0.28 -0.27 0.00 0.36 0.00 0.00 54.97 54.78 1ppq s GLU 1003Cb -0.01 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 1ppq s GLU 1003CO -0.00 -0.26 1.74 0.00 -0.54 0.00 0.00 175.26 176.20 1ppq s ILE 1005N 8.08 1.51 0.37 0.00 -4.36 -1.19 -3.77 121.20 121.84 1ppq s ILE 1005Ca 0.64 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1ppq s ILE 1005Cb -0.13 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1ppq s ILE 1005CO 0.23 -0.33 0.57 -0.76 0.24 0.00 0.00 174.94 174.89 1ppq s LEU 1006N -2.39 3.94 0.00 0.37 1.43 -1.26 -1.73 118.68 119.04 1ppq s LEU 1006Ca 0.10 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1ppq s LEU 1006Cb -0.06 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1ppq s LEU 1006CO 0.04 -0.39 0.00 -1.54 0.23 0.00 0.00 176.35 174.69 1ppq n SER 1007N -1.84 0.00 0.00 2.29 3.41 -1.26 -4.96 113.62 111.26 1ppq n SER 1007Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1ppq n SER 1007Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.08 -0.88 0.00 5.00 0.00 -1.26 -5.02 105.19 103.11 1ppq n GLY 1008Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1ppq n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ppq n ASN 1009N -0.40 0.02 -3.82 1.61 2.85 -1.26 -5.02 115.26 109.24 1ppq n ASN 1009Ca 0.00 -0.26 -0.26 0.00 -0.11 0.00 0.00 54.58 53.95 1ppq n ASN 1009Cb 0.00 0.45 -0.17 0.00 1.24 0.00 0.00 39.78 41.30 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1ppq s THR 1010N -0.45 0.75 0.17 -0.44 2.01 -1.26 -5.12 115.64 111.30 1ppq s THR 1010Ca 0.00 -0.37 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 1ppq s THR 1010Cb 0.00 -0.99 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 1ppq s THR 1010CO 0.00 0.10 1.52 0.00 -0.69 0.00 0.00 174.62 175.55 1ppq s ALA 1011N 1.79 3.72 0.01 7.40 0.00 -1.26 -4.52 121.76 128.90 1ppq s ALA 1011Ca 0.02 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1ppq s ALA 1011Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1ppq s ALA 1011CO -0.07 -0.74 -0.02 -3.38 0.00 0.00 0.00 175.76 171.55 1ppq s HIS 1012N 0.98 0.17 0.39 0.00 -3.43 -0.70 -4.34 115.29 108.36 1ppq s HIS 1012Ca 0.68 -0.29 -0.26 0.00 -0.80 0.00 0.00 55.06 54.38 1ppq s HIS 1012Cb -0.42 -0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 30.52 1ppq s HIS 1012CO 0.33 -0.10 1.25 -1.58 -2.00 0.00 0.00 174.74 172.63 1ppq s TRP 1013N -0.81 2.97 -1.22 0.38 0.52 -1.26 -3.17 118.94 116.36 1ppq s TRP 1013Ca -0.09 1.48 0.20 0.00 0.02 0.00 0.00 56.10 57.71 1ppq s TRP 1013Cb -0.06 -3.56 0.92 0.00 -1.15 0.00 0.00 33.47 29.63 1ppq s TRP 1013CO -0.01 -1.72 1.62 0.45 0.02 0.00 0.00 176.95 177.32 1ppq n SER 1014N 0.26 0.00 -4.74 2.95 2.88 -0.77 -4.74 113.62 109.45 1ppq n SER 1014Ca 0.03 0.24 -0.30 0.00 -1.33 0.00 0.00 58.87 57.51 1ppq n SER 1014Cb 0.44 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ppq s THR 1015N -2.78 4.33 0.62 2.46 -4.23 -1.26 -4.97 115.64 109.81 1ppq s THR 1015Ca 0.14 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1ppq s THR 1015Cb 0.13 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1ppq s THR 1015CO 0.33 0.09 1.08 -1.59 -0.54 0.00 0.00 174.62 173.99 1ppq s LYS 1016N -2.47 3.10 0.48 3.99 -2.85 -1.26 -4.98 119.74 115.75 1ppq s LYS 1016Ca 0.28 1.30 -0.21 0.00 -1.00 0.00 0.00 55.97 56.34 1ppq s LYS 1016Cb -0.12 -2.00 -0.10 0.00 -2.06 0.00 0.00 37.83 33.56 1ppq s LYS 1016CO 0.21 -1.00 0.77 -2.30 0.10 0.00 0.00 175.35 173.13 1ppq n PRO 1017N -2.16 0.88 -2.37 1.78 -0.02 -1.26 -4.90 135.00 126.96 1ppq n PRO 1017Ca 0.10 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1ppq n PRO 1017Cb 0.52 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ppq s PRO 1018N -2.03 4.54 0.15 0.52 0.04 -1.26 -4.90 135.00 132.05 1ppq s PRO 1018Ca 0.66 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1ppq s PRO 1018Cb -0.52 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1ppq s PRO 1018CO 0.55 0.03 0.01 0.42 0.04 0.00 0.00 177.00 178.06 1ppq s ILE 1019N -0.78 0.47 -0.11 0.56 1.01 -1.26 -4.76 121.20 116.32 1ppq s ILE 1019Ca 0.48 -1.94 0.02 0.00 0.00 0.00 0.00 60.65 59.21 1ppq s ILE 1019Cb -0.34 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1ppq s ILE 1019CO 0.42 -0.54 -0.16 0.00 0.00 0.00 0.00 174.94 174.67 1ppq n GLN 1021N 4.20 0.62 -2.87 0.00 10.64 -1.21 -5.00 117.38 123.76 1ppq n GLN 1021Ca -0.19 0.20 -0.04 0.00 -1.83 0.00 0.00 57.00 55.14 1ppq n GLN 1021Cb 0.51 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1ppq n GLN 1021CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1ppq n ARG 1022N -2.86 -2.68 -2.24 2.61 3.00 -1.26 -4.93 116.66 108.31 1ppq n ARG 1022Ca -0.10 2.27 -0.38 0.00 -0.00 0.00 0.00 57.85 59.64 1ppq n ARG 1022Cb 0.83 -4.53 -0.01 0.00 0.00 0.00 0.00 32.46 28.75 1ppq n ARG 1022CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1ppq s ILE 1023N -1.70 3.04 -2.00 5.15 -4.36 -1.25 -5.05 121.20 115.02 1ppq s ILE 1023Ca 0.07 0.84 0.15 0.00 -0.26 0.00 0.00 60.65 61.45 1ppq s ILE 1023Cb -0.02 -3.46 0.42 0.00 1.25 0.00 0.00 42.46 40.66 1ppq s ILE 1023CO 0.66 0.05 1.30 -0.81 0.24 0.00 0.00 174.94 176.37