#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 0.91 2.89 0.00 0.00 2.07 -0.22 -4.82 121.20 122.03 1xj1 s ILE 8 Ca 0.76 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 60.29 1xj1 s ILE 8 Cb -0.60 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 38.73 1xj1 s ILE 8 CO 0.37 -0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1xj1 n GLY 9 N -3.05 -0.25 3.64 1.50 0.00 -1.26 -3.71 105.19 102.06 1xj1 n GLY 9 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.49 -0.48 -1.16 1.61 -3.43 -1.26 -4.89 115.29 105.18 1xj1 s HIS 10 Ca 0.00 1.04 -0.02 0.00 -0.80 0.00 0.00 55.06 55.27 1xj1 s HIS 10 Cb 0.00 0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1xj1 s HIS 10 CO 0.00 -0.23 0.94 0.66 -2.00 0.00 0.00 174.74 174.11 1xj1 n TYR 11 N 2.97 -2.24 -3.60 0.38 4.02 0.37 -5.00 117.16 114.06 1xj1 n TYR 11 Ca -0.16 0.89 -0.22 0.00 -0.01 0.00 0.00 57.90 58.40 1xj1 n TYR 11 Cb 0.57 -4.70 -0.01 0.00 -0.02 0.00 0.00 39.34 35.18 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 -5.14 3.42 -0.37 -0.72 2.00 -0.93 -4.75 119.66 113.18 1xj1 s GLN 12 Ca 0.15 -0.55 -0.29 0.00 -2.00 0.00 0.00 55.36 52.67 1xj1 s GLN 12 Cb -0.02 -2.76 0.02 0.00 0.80 0.00 0.00 33.01 31.05 1xj1 s GLN 12 CO 0.74 0.23 1.11 0.15 -0.50 0.00 0.00 175.29 177.03 1xj1 s LYS 13 N -4.19 3.94 -0.18 1.67 1.02 -1.26 0.10 119.74 120.85 1xj1 s LYS 13 Ca 0.38 0.91 -0.20 0.00 0.02 0.00 0.00 55.97 57.09 1xj1 s LYS 13 Cb -0.09 -3.81 -0.22 0.00 -0.52 0.00 0.00 37.83 33.19 1xj1 s LYS 13 CO 0.33 -1.08 0.35 0.00 -0.92 0.00 0.00 175.35 174.02 1xj1 s VAL 15 N -2.38 2.05 -1.73 0.00 0.11 -1.23 -1.51 120.40 115.70 1xj1 s VAL 15 Ca -0.26 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1xj1 s VAL 15 Cb 0.05 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 1xj1 s VAL 15 CO 0.65 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 169.22 1xj1 n ASN 16 N 4.09 -5.75 -2.72 3.54 5.15 -1.26 -4.89 115.26 113.41 1xj1 n ASN 16 Ca 0.16 -0.02 -0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1xj1 n ASN 16 Cb 0.35 -4.77 0.02 0.00 -0.53 0.00 0.00 39.78 34.85 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xj1 s ALA 17 N -3.00 -4.50 0.37 5.20 0.00 -0.57 -5.16 121.76 114.10 1xj1 s ALA 17 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 1xj1 s ALA 17 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 1xj1 s ALA 17 CO 0.00 -2.51 0.97 -0.51 0.00 0.00 0.00 175.76 173.71 1xj1 s ASP 18 N 1.59 7.10 -0.23 0.00 1.11 -1.24 -4.12 116.67 120.87 1xj1 s ASP 18 Ca 0.18 1.85 -0.29 0.00 0.18 0.00 0.00 52.55 54.47 1xj1 s ASP 18 Cb 0.07 -2.57 0.16 0.00 1.07 0.00 0.00 42.92 41.65 1xj1 s ASP 18 CO -0.13 -0.25 1.18 -0.54 1.18 0.00 0.00 175.17 176.61 1xj1 s LYS 19 N -2.45 0.33 -0.09 8.23 1.02 -1.26 -5.11 119.74 120.40 1xj1 s LYS 19 Ca 0.55 0.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 1xj1 s LYS 19 Cb -0.17 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1xj1 s LYS 19 CO 0.22 -0.09 1.43 -1.25 -0.92 0.00 0.00 175.35 174.74 1xj1 s PRO 20 N -0.86 4.22 -0.71 -1.68 0.04 -1.26 -4.93 135.00 129.82 1xj1 s PRO 20 Ca 0.04 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 1xj1 s PRO 20 Cb -0.01 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.75 1xj1 s PRO 20 CO -0.04 -0.73 1.22 0.00 0.04 0.00 0.00 177.00 177.48 1xj1 s SER 23 N -2.29 2.83 -0.23 0.00 1.04 -1.26 -4.33 113.70 109.46 1xj1 s SER 23 Ca 0.64 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 1xj1 s SER 23 Cb -0.21 -0.18 0.07 0.00 0.10 0.00 0.00 66.02 65.80 1xj1 s SER 23 CO 0.64 -0.19 0.02 -0.54 0.98 0.00 0.00 173.24 174.15 1xj1 s LYS 24 N -3.65 0.96 0.12 4.02 -0.14 -0.48 -5.05 119.74 115.53 1xj1 s LYS 24 Ca 0.26 -0.73 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 1xj1 s LYS 24 Cb -0.00 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 1xj1 s LYS 24 CO 0.10 -0.70 -0.01 -0.08 -0.76 0.00 0.00 175.35 173.90 1xj1 s THR 25 N 1.66 0.46 -0.23 2.17 -1.32 -1.26 -0.50 115.64 116.62 1xj1 s THR 25 Ca -0.00 -1.92 -0.03 0.00 -1.21 0.00 0.00 61.69 58.53 1xj1 s THR 25 Cb -0.18 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 68.96 1xj1 s THR 25 CO -0.11 -0.69 0.06 0.52 -2.21 0.00 0.00 174.62 172.19 1xj1 n VAL 26 N -0.08-10.54 -2.54 5.08 0.31 -1.26 -5.03 118.33 104.27 1xj1 n VAL 26 Ca -0.09 1.74 -0.24 0.00 -0.01 0.00 0.00 64.34 65.74 1xj1 n VAL 26 Cb 0.62 -6.32 0.04 0.00 -0.91 0.00 0.00 33.84 27.27 1xj1 n VAL 26 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1xj1 s ARG 27 N -1.18 2.65 -0.07 5.55 3.52 -1.26 -5.06 118.95 123.10 1xj1 s ARG 27 Ca -0.06 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1xj1 s ARG 27 Cb 0.00 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1xj1 s ARG 27 CO 0.65 -0.75 -0.06 1.88 -0.81 0.00 0.00 175.30 176.21 1xj1 h TYR 28 N -0.09 0.00 -2.70 5.12 -1.99 -1.99 -3.39 116.97 111.93 1xj1 h TYR 28 Ca -0.44 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.71 1xj1 h TYR 28 Cb 1.28 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.91 1xj1 h TYR 28 CO 0.40 0.00 0.84 0.20 -0.00 0.00 0.00 178.16 179.60 1xj1 s GLY 29 N -3.20 1.13 -0.36 3.88 0.00 -1.26 -4.44 107.32 103.07 1xj1 s GLY 29 Ca -0.05 -1.38 -0.07 0.00 0.00 0.00 0.00 44.72 43.22 1xj1 s GLY 29 CO 0.07 2.38 0.26 1.34 0.00 0.00 0.00 173.10 177.15 1xj1 n ASP 30 N 8.50 -7.90 -4.71 1.64 -0.08 -1.26 -5.01 116.55 107.73 1xj1 n ASP 30 Ca 0.02 1.03 -0.35 0.00 -1.51 0.00 0.00 54.79 53.98 1xj1 n ASP 30 Cb 0.48 -5.30 -0.09 0.00 2.34 0.00 0.00 41.12 38.55 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1xj1 s SER 31 N -2.03 5.55 -0.06 1.67 1.04 -1.26 -4.89 113.70 113.72 1xj1 s SER 31 Ca 0.11 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1xj1 s SER 31 Cb -0.03 -1.73 0.07 0.00 0.10 0.00 0.00 66.02 64.43 1xj1 s SER 31 CO 0.77 0.33 0.61 2.29 0.98 0.00 0.00 173.24 178.22 1xj1 n LYS 32 N 2.49 0.25 -3.85 4.02 2.85 -1.26 -4.93 118.16 117.73 1xj1 n LYS 32 Ca -0.18 -0.32 -0.07 0.00 -1.05 0.00 0.00 58.31 56.68 1xj1 n LYS 32 Cb 0.54 0.26 -0.01 0.00 -0.65 0.00 0.00 35.03 35.16 1xj1 n LYS 32 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1xj1 s ASN 33 N -0.30 -0.21 0.02 -5.58 3.84 -1.26 -5.16 114.94 106.28 1xj1 s ASN 33 Ca 0.02 -0.71 0.02 0.00 0.21 0.00 0.00 52.86 52.39 1xj1 s ASN 33 Cb 0.08 0.75 -0.01 0.00 -0.55 0.00 0.00 41.25 41.52 1xj1 s ASN 33 CO -0.02 -1.41 -0.06 0.54 -2.79 0.00 0.00 177.10 173.36 1xj1 s VAL 34 N -3.61 0.41 -0.17 -5.21 0.11 -1.26 -3.99 120.40 106.68 1xj1 s VAL 34 Ca 0.12 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1xj1 s VAL 34 Cb -0.06 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1xj1 s VAL 34 CO 0.08 -0.16 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.89 1xj1 s ARG 35 N -0.85 2.92 0.35 1.54 3.52 0.34 -4.93 118.95 121.85 1xj1 s ARG 35 Ca -0.05 -0.81 0.08 0.00 -0.13 0.00 0.00 55.73 54.83 1xj1 s ARG 35 Cb -0.06 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1xj1 s ARG 35 CO 0.00 -0.17 0.16 0.21 -0.81 0.00 0.00 175.30 174.69 1xj1 s LYS 36 N 1.21 2.37 -0.07 5.12 2.20 -0.98 -1.38 119.74 128.20 1xj1 s LYS 36 Ca 0.02 -1.58 -0.01 0.00 -0.36 0.00 0.00 55.97 54.05 1xj1 s LYS 36 Cb -0.13 -2.17 0.03 0.00 -1.51 0.00 0.00 37.83 34.05 1xj1 s LYS 36 CO -0.10 0.07 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.89 1xj1 s PHE 37 N -2.45 0.68 0.20 4.03 0.08 -1.26 0.11 117.98 119.37 1xj1 s PHE 37 Ca 0.39 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.35 1xj1 s PHE 37 Cb -0.02 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1xj1 s PHE 37 CO 0.23 -0.30 -0.04 0.96 -0.10 0.00 0.00 175.22 175.97 1xj1 s ILE 38 N 1.76 3.46 -0.49 0.64 -4.36 -0.15 -4.82 121.20 117.23 1xj1 s ILE 38 Ca 0.02 -1.64 -0.12 0.00 -0.26 0.00 0.00 60.65 58.65 1xj1 s ILE 38 Cb -0.13 -2.76 0.12 0.00 1.25 0.00 0.00 42.46 40.94 1xj1 s ILE 38 CO -0.04 -0.18 0.40 0.00 0.24 0.00 0.00 174.94 175.35 1xj1 s ASP 40 N 2.97 6.76 -0.08 0.00 1.01 -0.84 -4.97 116.67 121.52 1xj1 s ASP 40 Ca 0.05 0.91 0.13 0.00 0.71 0.00 0.00 52.55 54.34 1xj1 s ASP 40 Cb -0.27 -2.23 0.26 0.00 1.01 0.00 0.00 42.92 41.68 1xj1 s ASP 40 CO 0.01 0.32 1.12 0.54 0.21 0.00 0.00 175.17 177.38 1xj1 n ARG 41 N 1.91 0.71 0.13 8.23 1.74 -1.26 -1.40 116.66 126.72 1xj1 n ARG 41 Ca -0.14 -2.14 -0.07 0.00 -0.77 0.00 0.00 57.85 54.72 1xj1 n ARG 41 Cb 0.53 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.46 31.00 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1xj1 h ASP 42 N 0.40 -0.36 0.00 0.55 1.82 -1.97 -3.44 116.42 113.42 1xj1 h ASP 42 Ca -0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1xj1 h ASP 42 Cb 1.30 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1xj1 h ASP 42 CO 0.02 0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 1xj1 n GLY 43 N 0.66 1.26 0.06 -0.78 0.00 -1.26 -4.91 105.19 100.21 1xj1 n GLY 43 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1xj1 n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xj1 h GLU 44 N 0.00 -0.00 0.00 1.61 4.81 -1.91 -3.50 114.58 115.59 1xj1 h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xj1 h GLU 44 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xj1 h GLU 44 CO 0.00 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 1xj1 n GLY 45 N 1.71 1.27 3.32 1.92 0.00 -1.25 -4.85 105.19 107.31 1xj1 n GLY 45 Ca -0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1xj1 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xj1 s VAL 46 N 0.00 0.09 -0.48 1.61 -7.23 -0.49 -2.32 120.40 111.57 1xj1 s VAL 46 Ca 0.00 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 1xj1 s VAL 46 Cb 0.00 -1.42 0.05 0.00 0.56 0.00 0.00 36.38 35.57 1xj1 s VAL 46 CO 0.00 -0.39 0.60 0.00 -0.31 0.00 0.00 175.10 175.00 1xj1 s VAL 48 N 2.58 3.06 0.94 0.00 -7.23 -0.45 0.14 120.40 119.44 1xj1 s VAL 48 Ca 0.16 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 1xj1 s VAL 48 Cb -0.18 -2.86 0.12 0.00 0.56 0.00 0.00 36.38 34.02 1xj1 s VAL 48 CO 0.14 -0.26 0.89 -2.65 -0.31 0.00 0.00 175.10 172.90 1xj1 n PRO 49 N -0.99 -0.48 -1.11 4.82 -0.02 -1.26 -0.98 135.00 134.98 1xj1 n PRO 49 Ca -0.05 -0.08 -0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1xj1 n PRO 49 Cb 0.61 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xj1 n PHE 50 N -4.07 -1.04 0.00 6.00 7.35 0.30 -4.61 117.46 121.40 1xj1 n PHE 50 Ca 0.10 -0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1xj1 n PHE 50 Cb 0.53 0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.39 1xj1 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xj1 n ASP 51 N -1.01 0.00 -0.62 -2.13 -0.08 -1.26 -2.33 116.55 109.12 1xj1 n ASP 51 Ca -0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.35 1xj1 n ASP 51 Cb 0.02 0.24 0.06 0.00 2.34 0.00 0.00 41.12 43.79 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93