#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xj1 s ILE 8 N 0.52 2.00 -0.02 0.00 1.10 -1.01 -4.86 121.20 118.93 1xj1 s ILE 8 Ca -0.09 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.06 1xj1 s ILE 8 Cb -0.16 -2.98 -0.02 0.00 0.15 0.00 0.00 42.46 39.45 1xj1 s ILE 8 CO 0.04 0.00 -0.01 0.61 -2.11 0.00 0.00 174.94 173.47 1xj1 n GLY 9 N -3.25 -0.07 3.64 1.50 0.00 -1.26 -3.87 105.19 101.88 1xj1 n GLY 9 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1xj1 n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xj1 s HIS 10 N -2.05 -0.10 -0.66 1.61 -3.43 -1.26 -5.00 115.29 104.40 1xj1 s HIS 10 Ca -0.02 0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.45 1xj1 s HIS 10 Cb 0.01 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1xj1 s HIS 10 CO 0.07 -0.06 0.65 0.66 -2.00 0.00 0.00 174.74 174.06 1xj1 n TYR 11 N 1.43 -2.90 -4.03 0.38 4.02 0.22 -5.01 117.16 111.26 1xj1 n TYR 11 Ca -0.09 1.12 -0.35 0.00 -0.01 0.00 0.00 57.90 58.56 1xj1 n TYR 11 Cb 0.57 -3.98 -0.07 0.00 -0.02 0.00 0.00 39.34 35.85 1xj1 n TYR 11 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1xj1 s GLN 12 N -2.93 3.27 -0.51 -0.72 -0.44 -0.92 -4.74 119.66 112.67 1xj1 s GLN 12 Ca 0.04 -0.27 -0.29 0.00 -2.50 0.00 0.00 55.36 52.34 1xj1 s GLN 12 Cb -0.01 -3.04 0.03 0.00 -1.64 0.00 0.00 33.01 28.35 1xj1 s GLN 12 CO 0.71 0.73 1.16 0.15 0.50 0.00 0.00 175.29 178.55 1xj1 s LYS 13 N -1.20 3.65 0.07 1.67 3.01 -1.26 0.11 119.74 125.78 1xj1 s LYS 13 Ca 0.17 0.47 0.12 0.00 -1.01 0.00 0.00 55.97 55.72 1xj1 s LYS 13 Cb -0.12 -3.95 -0.17 0.00 -1.01 0.00 0.00 37.83 32.58 1xj1 s LYS 13 CO 0.07 -1.49 0.98 0.00 0.51 0.00 0.00 175.35 175.42 1xj1 s VAL 15 N -2.73 4.32 -1.14 0.00 1.01 -1.19 -3.64 120.40 117.02 1xj1 s VAL 15 Ca -0.02 1.58 -0.03 0.00 0.00 0.00 0.00 61.98 63.51 1xj1 s VAL 15 Cb 0.09 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1xj1 s VAL 15 CO 0.81 -0.22 0.96 0.59 0.00 0.00 0.00 175.10 177.24 1xj1 n ASN 16 N 6.77 -3.86 -3.61 3.32 4.13 -1.26 -5.01 115.26 115.74 1xj1 n ASN 16 Ca 0.14 -0.67 -0.08 0.00 1.68 0.00 0.00 54.58 55.65 1xj1 n ASN 16 Cb 0.45 -5.11 -0.06 0.00 -1.54 0.00 0.00 39.78 33.53 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xj1 s ALA 17 N -3.38 -1.99 -0.28 5.41 0.00 -1.24 -5.05 121.76 115.22 1xj1 s ALA 17 Ca 0.19 1.72 0.09 0.00 0.00 0.00 0.00 51.96 53.95 1xj1 s ALA 17 Cb -0.03 -1.13 0.47 0.00 0.00 0.00 0.00 23.12 22.43 1xj1 s ALA 17 CO 0.74 -0.26 1.35 -0.25 0.00 0.00 0.00 175.76 177.34 1xj1 n ASP 18 N 1.26 2.97 -4.62 0.00 8.00 -1.26 -4.79 116.55 118.11 1xj1 n ASP 18 Ca -0.10 -3.83 -0.43 0.00 0.71 0.00 0.00 54.79 51.14 1xj1 n ASP 18 Cb 0.57 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xj1 s LYS 19 N -3.35 3.84 0.23 -1.24 1.02 -1.26 -4.99 119.74 113.99 1xj1 s LYS 19 Ca 0.45 0.84 -0.32 0.00 0.02 0.00 0.00 55.97 56.96 1xj1 s LYS 19 Cb 0.40 -3.86 -0.13 0.00 -0.52 0.00 0.00 37.83 33.73 1xj1 s LYS 19 CO -0.02 -1.21 1.60 -2.30 -0.92 0.00 0.00 175.35 172.50 1xj1 n PRO 20 N 7.49 2.50 -3.06 -1.68 -0.02 -1.25 -4.92 135.00 134.05 1xj1 n PRO 20 Ca 0.13 0.90 -0.45 0.00 -2.02 0.00 0.00 63.50 62.06 1xj1 n PRO 20 Cb 0.48 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 n SER 23 N -4.84 0.92 -3.44 0.00 7.64 -1.26 -4.50 113.62 108.14 1xj1 n SER 23 Ca 0.11 -2.90 -0.23 0.00 1.01 0.00 0.00 58.87 56.87 1xj1 n SER 23 Cb 0.48 0.99 -0.11 0.00 -1.01 0.00 0.00 64.21 64.56 1xj1 n SER 23 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xj1 s LYS 24 N -3.33 0.42 -0.18 1.43 -0.14 -0.40 -5.03 119.74 112.50 1xj1 s LYS 24 Ca 0.21 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 1xj1 s LYS 24 Cb 0.01 -0.94 0.04 0.00 -1.68 0.00 0.00 37.83 35.26 1xj1 s LYS 24 CO 0.15 -1.11 -0.12 -0.08 -0.76 0.00 0.00 175.35 173.43 1xj1 s THR 25 N 1.78 1.65 -0.19 2.17 -1.32 -1.26 -0.82 115.64 117.64 1xj1 s THR 25 Ca 0.13 -0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 59.64 1xj1 s THR 25 Cb -0.17 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 1xj1 s THR 25 CO -0.19 0.27 0.04 0.68 -2.21 0.00 0.00 174.62 173.21 1xj1 s VAL 26 N 1.41 4.49 -0.47 5.08 -7.23 -1.26 -5.02 120.40 117.41 1xj1 s VAL 26 Ca 0.01 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1xj1 s VAL 26 Cb -0.15 -3.03 0.13 0.00 0.56 0.00 0.00 36.38 33.89 1xj1 s VAL 26 CO -0.09 0.44 0.22 -0.13 -0.31 0.00 0.00 175.10 175.23 1xj1 s ARG 27 N 0.60 1.70 -0.47 4.82 1.81 -1.26 -4.83 118.95 121.33 1xj1 s ARG 27 Ca 0.02 -2.32 0.06 0.00 -1.72 0.00 0.00 55.73 51.77 1xj1 s ARG 27 Cb -0.13 -3.03 0.18 0.00 -0.45 0.00 0.00 34.95 31.51 1xj1 s ARG 27 CO 0.02 -1.09 0.57 0.71 -0.68 0.00 0.00 175.30 174.83 1xj1 s TYR 28 N 0.10 -0.65 0.00 -0.53 2.02 -1.26 -5.13 117.35 111.90 1xj1 s TYR 28 Ca 0.16 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.72 1xj1 s TYR 28 Cb -0.24 -0.13 0.00 0.00 -0.40 0.00 0.00 41.96 41.18 1xj1 s TYR 28 CO -0.02 -1.11 0.00 0.41 -1.57 0.00 0.00 175.55 173.26 1xj1 n GLY 29 N 3.05 0.77 3.84 0.71 0.00 -1.26 -5.05 105.19 107.25 1xj1 n GLY 29 Ca 0.21 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1xj1 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xj1 s ASP 30 N 0.00 6.83 -0.13 1.61 1.01 -1.26 -4.70 116.67 120.02 1xj1 s ASP 30 Ca 0.00 1.51 -0.10 0.00 0.71 0.00 0.00 52.55 54.67 1xj1 s ASP 30 Cb 0.00 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1xj1 s ASP 30 CO 0.00 -0.33 0.19 -0.24 0.21 0.00 0.00 175.17 175.00 1xj1 n SER 31 N -0.68 -2.60 -3.66 0.27 2.88 -1.26 -5.07 113.62 103.50 1xj1 n SER 31 Ca 0.06 1.47 -0.07 0.00 -1.33 0.00 0.00 58.87 59.00 1xj1 n SER 31 Cb 0.54 -5.24 -0.08 0.00 -0.75 0.00 0.00 64.21 58.67 1xj1 n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1xj1 s LYS 32 N -0.66 0.43 0.06 -1.46 2.47 -1.26 -5.05 119.74 114.27 1xj1 s LYS 32 Ca -0.22 1.10 -0.25 0.00 -1.56 0.00 0.00 55.97 55.03 1xj1 s LYS 32 Cb 0.01 0.35 -0.06 0.00 -1.46 0.00 0.00 37.83 36.68 1xj1 s LYS 32 CO 0.59 -0.21 0.78 -0.80 0.16 0.00 0.00 175.35 175.87 1xj1 s ASN 33 N 2.32 7.25 -0.37 1.43 0.02 -1.26 -5.03 114.94 119.29 1xj1 s ASN 33 Ca -0.05 1.49 -0.22 0.00 -1.02 0.00 0.00 52.86 53.06 1xj1 s ASN 33 Cb -0.10 -2.48 0.01 0.00 0.02 0.00 0.00 41.25 38.69 1xj1 s ASN 33 CO -0.15 0.02 0.71 -0.69 0.02 0.00 0.00 177.10 177.01 1xj1 s VAL 34 N -0.12 4.80 -0.11 1.60 1.01 -1.26 -4.63 120.40 121.69 1xj1 s VAL 34 Ca 0.39 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 1xj1 s VAL 34 Cb -0.21 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1xj1 s VAL 34 CO 0.24 -0.42 0.89 -0.60 0.00 0.00 0.00 175.10 175.21 1xj1 s ARG 35 N 2.93 4.39 0.31 2.72 6.06 -0.00 -4.21 118.95 131.15 1xj1 s ARG 35 Ca 0.28 1.17 0.03 0.00 -2.50 0.00 0.00 55.73 54.71 1xj1 s ARG 35 Cb -0.14 -3.53 -0.06 0.00 0.06 0.00 0.00 34.95 31.28 1xj1 s ARG 35 CO 0.17 -0.23 0.07 0.21 -2.50 0.00 0.00 175.30 173.02 1xj1 s LYS 36 N 1.75 1.59 -0.08 5.12 2.20 -1.01 -1.28 119.74 128.04 1xj1 s LYS 36 Ca 0.43 -1.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.15 1xj1 s LYS 36 Cb -0.18 -0.70 0.03 0.00 -1.51 0.00 0.00 37.83 35.47 1xj1 s LYS 36 CO 0.17 -0.22 0.02 -0.06 -0.36 0.00 0.00 175.35 174.91 1xj1 s PHE 37 N -3.42 0.51 0.05 4.03 0.40 -1.26 0.11 117.98 118.39 1xj1 s PHE 37 Ca 0.37 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1xj1 s PHE 37 Cb 0.09 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 1xj1 s PHE 37 CO 0.15 -0.32 0.03 0.96 0.70 0.00 0.00 175.22 176.74 1xj1 s ILE 38 N 2.03 4.26 -0.88 0.64 -4.36 0.27 -4.83 121.20 118.32 1xj1 s ILE 38 Ca 0.04 -0.75 -0.20 0.00 -0.26 0.00 0.00 60.65 59.49 1xj1 s ILE 38 Cb -0.13 -2.98 0.11 0.00 1.25 0.00 0.00 42.46 40.72 1xj1 s ILE 38 CO -0.05 0.23 1.11 0.00 0.24 0.00 0.00 174.94 176.47 1xj1 s ASP 40 N 3.73 7.27 -0.28 0.00 1.01 0.08 -4.82 116.67 123.67 1xj1 s ASP 40 Ca 0.31 1.56 0.12 0.00 0.71 0.00 0.00 52.55 55.25 1xj1 s ASP 40 Cb -0.07 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 41.95 1xj1 s ASP 40 CO -0.06 -0.40 1.65 0.54 0.21 0.00 0.00 175.17 177.11 1xj1 n ARG 41 N 4.76 3.18 -0.07 8.23 1.74 -1.26 -1.52 116.66 131.71 1xj1 n ARG 41 Ca 0.08 -3.05 -0.11 0.00 -0.77 0.00 0.00 57.85 54.00 1xj1 n ARG 41 Cb 0.49 -2.05 -0.15 0.00 -1.02 0.00 0.00 32.46 29.74 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xj1 n ASP 42 N -0.43 0.67 -0.04 0.55 9.92 -1.26 -4.57 116.55 121.40 1xj1 n ASP 42 Ca 0.34 0.12 -0.03 0.00 -0.53 0.00 0.00 54.79 54.69 1xj1 n ASP 42 Cb 1.20 0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 42.03 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xj1 n GLY 43 N 1.78 -0.68 0.92 0.44 0.00 -1.26 -4.92 105.19 101.48 1xj1 n GLY 43 Ca -0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 1xj1 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xj1 n GLU 44 N -3.52 0.00 -3.32 1.61 2.13 -1.26 -5.04 120.64 111.24 1xj1 n GLU 44 Ca -0.05 -0.89 -0.16 0.00 0.66 0.00 0.00 57.16 56.72 1xj1 n GLU 44 Cb 0.19 0.27 0.05 0.00 0.27 0.00 0.00 31.44 32.22 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xj1 n GLY 45 N 0.06 -1.15 3.29 8.31 0.00 -0.95 -4.75 105.19 110.00 1xj1 n GLY 45 Ca -0.16 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 1xj1 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xj1 s VAL 46 N -3.31 1.47 -0.50 1.61 1.01 -0.58 -1.44 120.40 118.67 1xj1 s VAL 46 Ca 0.36 -2.04 -0.19 0.00 0.00 0.00 0.00 61.98 60.11 1xj1 s VAL 46 Cb -0.07 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1xj1 s VAL 46 CO 0.77 -0.59 0.61 0.00 0.00 0.00 0.00 175.10 175.90 1xj1 s VAL 48 N 2.60 3.39 0.94 0.00 -7.23 -0.19 0.72 120.40 120.63 1xj1 s VAL 48 Ca 0.15 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 1xj1 s VAL 48 Cb -0.19 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 33.86 1xj1 s VAL 48 CO 0.12 -0.29 0.69 -2.65 -0.31 0.00 0.00 175.10 172.67 1xj1 n PRO 49 N -1.04 -0.38 -3.84 4.82 -0.02 -1.26 -0.57 135.00 132.71 1xj1 n PRO 49 Ca -0.05 -0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1xj1 n PRO 49 Cb 0.60 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xj1 s PHE 50 N -2.49 -0.06 0.59 6.00 5.36 0.31 -4.57 117.98 123.12 1xj1 s PHE 50 Ca 0.61 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1xj1 s PHE 50 Cb -0.22 0.76 0.00 0.00 -0.34 0.00 0.00 43.02 43.23 1xj1 s PHE 50 CO 0.64 -1.37 0.00 -0.25 -1.46 0.00 0.00 175.22 172.78 1xj1 n ASP 51 N -0.85 -8.30 0.00 6.13 8.00 -1.26 -2.40 116.55 117.87 1xj1 n ASP 51 Ca -0.06 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1xj1 n ASP 51 Cb 0.59 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42