#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 1.04 3.03 0.00 0.00 2.07 -0.72 -4.83 121.20 121.79 1xj1 s ILE 8 Ca -0.05 0.34 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1xj1 s ILE 8 Cb -0.05 -3.32 0.00 0.00 0.13 0.00 0.00 42.46 39.22 1xj1 s ILE 8 CO -0.11 -0.44 0.00 0.61 -1.91 0.00 0.00 174.94 173.09 1xj1 n GLY 9 N -3.05 -0.06 3.48 1.50 0.00 -1.26 -3.53 105.19 102.27 1xj1 n GLY 9 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.79 -0.85 1.61 -3.43 -1.26 -4.85 115.29 105.71 1xj1 s HIS 10 Ca 0.00 1.70 -0.02 0.00 -0.80 0.00 0.00 55.06 55.93 1xj1 s HIS 10 Cb 0.00 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 1xj1 s HIS 10 CO 0.00 -0.41 0.77 0.66 -2.00 0.00 0.00 174.74 173.77 1xj1 n TYR 11 N 3.85 -2.78 -4.98 0.38 4.02 0.36 -5.01 117.16 112.99 1xj1 n TYR 11 Ca -0.19 1.03 -0.31 0.00 -0.01 0.00 0.00 57.90 58.41 1xj1 n TYR 11 Cb 0.57 -4.09 -0.14 0.00 -0.02 0.00 0.00 39.34 35.66 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 -3.56 2.12 -0.17 -0.72 -0.44 -0.92 -4.83 119.66 111.14 1xj1 s GLN 12 Ca 0.17 -0.93 -0.29 0.00 -2.50 0.00 0.00 55.36 51.80 1xj1 s GLN 12 Cb -0.02 -2.13 -0.00 0.00 -1.64 0.00 0.00 33.01 29.21 1xj1 s GLN 12 CO 0.75 0.56 1.03 0.15 0.50 0.00 0.00 175.29 178.27 1xj1 s LYS 13 N -0.97 4.34 -0.02 1.67 1.02 -1.26 0.13 119.74 124.65 1xj1 s LYS 13 Ca 0.12 1.38 -0.05 0.00 0.02 0.00 0.00 55.97 57.44 1xj1 s LYS 13 Cb -0.10 -3.59 -0.28 0.00 -0.52 0.00 0.00 37.83 33.33 1xj1 s LYS 13 CO 0.01 -0.47 0.76 0.00 -0.92 0.00 0.00 175.35 174.73 1xj1 h VAL 15 N 0.08 1.07 -0.00 0.00 2.07 -1.92 -0.93 116.25 116.62 1xj1 h VAL 15 Ca -0.29 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 1xj1 h VAL 15 Cb 2.04 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1xj1 h VAL 15 CO 0.16 0.14 -0.82 -1.13 0.02 0.00 0.00 177.57 175.94 1xj1 h ASN 16 N 0.76 0.10 -1.64 0.57 -1.24 -1.89 -3.42 115.58 108.82 1xj1 h ASN 16 Ca 0.26 -0.08 -0.16 0.00 0.71 0.00 0.00 56.30 57.03 1xj1 h ASN 16 Cb 0.04 -0.03 -0.28 0.00 0.73 0.00 0.00 38.32 38.78 1xj1 h ASN 16 CO -0.11 0.87 -0.51 0.00 -1.29 0.00 0.00 177.43 176.39 1xj1 s ALA 17 N -3.22 -1.34 -0.56 1.57 0.00 -0.86 -5.11 121.76 112.24 1xj1 s ALA 17 Ca -0.01 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1xj1 s ALA 17 Cb 0.11 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1xj1 s ALA 17 CO 0.80 -1.73 1.34 0.16 0.00 0.00 0.00 175.76 176.34 1xj1 s ASP 18 N 2.58 6.24 0.05 0.00 -4.77 -0.41 -4.13 116.67 116.24 1xj1 s ASP 18 Ca 0.10 0.26 -0.00 0.00 -3.30 0.00 0.00 52.55 49.61 1xj1 s ASP 18 Cb -0.12 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.12 1xj1 s ASP 18 CO -0.29 -1.62 -0.04 -0.54 0.70 0.00 0.00 175.17 173.38 1xj1 s LYS 19 N 5.29 0.60 0.27 2.11 3.01 -1.26 -5.12 119.74 124.64 1xj1 s LYS 19 Ca 0.50 -1.11 -0.30 0.00 -1.01 0.00 0.00 55.97 54.05 1xj1 s LYS 19 Cb -0.10 0.07 -0.10 0.00 -1.01 0.00 0.00 37.83 36.69 1xj1 s LYS 19 CO 0.26 -0.07 1.41 -1.25 0.51 0.00 0.00 175.35 176.20 1xj1 s PRO 20 N -3.33 4.29 -0.14 -1.68 0.04 -1.26 -4.90 135.00 128.02 1xj1 s PRO 20 Ca 0.03 2.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 1xj1 s PRO 20 Cb 0.03 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1xj1 s PRO 20 CO -0.07 -0.37 0.56 0.00 0.04 0.00 0.00 177.00 177.16 1xj1 s SER 23 N -4.49 5.80 -0.32 0.00 0.01 -1.26 -4.09 113.70 109.35 1xj1 s SER 23 Ca 0.59 0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.88 1xj1 s SER 23 Cb -0.09 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1xj1 s SER 23 CO 0.38 0.25 0.27 -0.54 0.41 0.00 0.00 173.24 174.01 1xj1 s LYS 24 N -1.93 3.70 -0.03 12.44 1.02 -0.51 -5.00 119.74 129.44 1xj1 s LYS 24 Ca 0.25 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1xj1 s LYS 24 Cb -0.12 -3.75 0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1xj1 s LYS 24 CO 0.17 -0.37 0.01 -0.08 -0.92 0.00 0.00 175.35 174.16 1xj1 s THR 25 N 1.84 0.15 -0.18 2.17 -1.32 -1.26 -1.15 115.64 115.89 1xj1 s THR 25 Ca 0.09 0.13 -0.15 0.00 -1.21 0.00 0.00 61.69 60.54 1xj1 s THR 25 Cb -0.17 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1xj1 s THR 25 CO 0.11 0.15 0.36 -0.69 -2.21 0.00 0.00 174.62 172.34 1xj1 s VAL 26 N 1.19 5.24 0.75 5.08 1.01 -1.04 -5.04 120.40 127.59 1xj1 s VAL 26 Ca -0.07 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1xj1 s VAL 26 Cb -0.13 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xj1 s VAL 26 CO -0.02 0.31 1.10 -0.60 0.00 0.00 0.00 175.10 175.89 1xj1 s ARG 27 N 0.90 2.36 0.07 2.72 3.00 -1.26 -4.50 118.95 122.25 1xj1 s ARG 27 Ca 0.19 1.26 -0.31 0.00 -1.00 0.00 0.00 55.73 55.86 1xj1 s ARG 27 Cb -0.14 -1.90 -0.10 0.00 0.00 0.00 0.00 34.95 32.81 1xj1 s ARG 27 CO 0.07 -1.57 1.91 0.66 0.00 0.00 0.00 175.30 176.36 1xj1 n TYR 28 N -3.22 2.57 0.00 5.12 4.01 -1.26 -4.25 117.16 120.12 1xj1 n TYR 28 Ca 0.10 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1xj1 n TYR 28 Cb 0.53 -2.77 0.00 0.00 -0.31 0.00 0.00 39.34 36.79 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xj1 n GLY 29 N 4.41 -1.33 0.08 2.72 0.00 -1.26 -4.99 105.19 104.81 1xj1 n GLY 29 Ca 0.19 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xj1 h ASP 30 N 0.00 0.00 -3.20 1.61 3.32 -1.98 -3.49 116.42 112.68 1xj1 h ASP 30 Ca 0.00 -0.24 -0.53 0.00 0.02 0.00 0.00 57.03 56.28 1xj1 h ASP 30 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1xj1 h ASP 30 CO 0.00 0.95 -0.54 -0.44 -1.72 0.00 0.00 179.24 177.49 1xj1 s SER 31 N -6.08 2.63 -0.43 6.45 0.01 -1.26 -5.11 113.70 109.92 1xj1 s SER 31 Ca -0.17 -1.60 0.08 0.00 1.31 0.00 0.00 55.95 55.57 1xj1 s SER 31 Cb 0.02 0.37 0.29 0.00 0.21 0.00 0.00 66.02 66.91 1xj1 s SER 31 CO 0.34 -0.86 0.80 0.29 0.41 0.00 0.00 173.24 174.22 1xj1 n LYS 32 N -0.85 0.86 -4.81 12.44 5.02 -1.26 -4.44 118.16 125.12 1xj1 n LYS 32 Ca -0.05 -2.60 -0.25 0.00 -2.02 0.00 0.00 58.31 53.39 1xj1 n LYS 32 Cb 0.65 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 34.15 1xj1 n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xj1 s ASN 33 N -1.64 2.05 -0.01 4.39 2.20 -1.26 -4.99 114.94 115.68 1xj1 s ASN 33 Ca 0.33 -0.33 0.04 0.00 -0.94 0.00 0.00 52.86 51.96 1xj1 s ASN 33 Cb 0.26 -0.40 -0.01 0.00 -2.00 0.00 0.00 41.25 39.09 1xj1 s ASN 33 CO -0.12 0.18 -0.14 -0.69 -2.94 0.00 0.00 177.10 173.39 1xj1 s VAL 34 N -0.17 1.10 0.17 3.54 1.01 -1.26 -2.51 120.40 122.28 1xj1 s VAL 34 Ca 0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1xj1 s VAL 34 Cb -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1xj1 s VAL 34 CO 0.01 0.31 0.44 0.00 0.00 0.00 0.00 175.10 175.87 1xj1 s ARG 35 N -0.29 1.24 0.55 2.72 1.70 -0.30 -5.02 118.95 119.55 1xj1 s ARG 35 Ca 0.05 -0.85 0.08 0.00 -0.47 0.00 0.00 55.73 54.53 1xj1 s ARG 35 Cb -0.06 0.48 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 1xj1 s ARG 35 CO -0.00 -0.50 0.62 0.21 -1.08 0.00 0.00 175.30 174.55 1xj1 s LYS 36 N -3.86 2.32 -0.25 3.89 2.20 0.30 -1.42 119.74 122.91 1xj1 s LYS 36 Ca 0.08 -1.75 -0.02 0.00 -0.36 0.00 0.00 55.97 53.92 1xj1 s LYS 36 Cb 0.01 -2.44 0.13 0.00 -1.51 0.00 0.00 37.83 34.01 1xj1 s LYS 36 CO -0.06 -0.71 0.31 -0.06 -0.36 0.00 0.00 175.35 174.47 1xj1 s PHE 37 N -2.68 -0.56 0.16 4.03 0.40 -1.26 0.11 117.98 118.17 1xj1 s PHE 37 Ca 0.51 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 57.16 1xj1 s PHE 37 Cb -0.05 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1xj1 s PHE 37 CO 0.32 -0.78 0.13 0.96 0.70 0.00 0.00 175.22 176.55 1xj1 s ILE 38 N 2.42 4.46 -0.47 0.64 -4.36 -0.52 -4.67 121.20 118.70 1xj1 s ILE 38 Ca 0.10 -1.07 -0.19 0.00 -0.26 0.00 0.00 60.65 59.23 1xj1 s ILE 38 Cb -0.15 -3.26 0.04 0.00 1.25 0.00 0.00 42.46 40.34 1xj1 s ILE 38 CO -0.22 -0.09 0.56 0.00 0.24 0.00 0.00 174.94 175.43 1xj1 s ASP 40 N 2.32 6.14 -0.28 0.00 1.01 -0.27 -4.88 116.67 120.70 1xj1 s ASP 40 Ca 0.15 0.31 0.11 0.00 0.71 0.00 0.00 52.55 53.84 1xj1 s ASP 40 Cb -0.18 -2.01 0.67 0.00 1.01 0.00 0.00 42.92 42.41 1xj1 s ASP 40 CO 0.13 0.30 1.67 -1.14 0.21 0.00 0.00 175.17 176.35 1xj1 n ARG 41 N 2.70 3.34 0.08 8.23 0.63 -1.26 -2.00 116.66 128.38 1xj1 n ARG 41 Ca -0.18 -3.06 -0.07 0.00 -0.92 0.00 0.00 57.85 53.62 1xj1 n ARG 41 Cb 0.54 -2.08 -0.04 0.00 0.45 0.00 0.00 32.46 31.32 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1xj1 h ASP 42 N 2.31 -0.25 -0.01 6.15 1.82 -1.96 -3.39 116.42 121.09 1xj1 h ASP 42 Ca 0.19 -0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1xj1 h ASP 42 Cb 2.03 0.07 0.00 0.00 0.68 0.00 0.00 39.33 42.11 1xj1 h ASP 42 CO 0.57 0.25 -0.23 1.23 -1.61 0.00 0.00 179.24 179.45 1xj1 h GLY 43 N -1.03 0.19 0.00 -0.78 0.00 -2.00 -3.47 103.07 95.98 1xj1 h GLY 43 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xj1 h GLY 43 CO 0.05 0.28 0.00 -2.21 0.00 0.00 0.00 176.54 174.66 1xj1 n GLU 44 N -4.53 0.00 0.00 4.80 2.13 -1.26 -5.10 120.64 116.68 1xj1 n GLU 44 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1xj1 n GLU 44 Cb 0.49 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.18 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 -1.24 0.14 3.16 8.31 0.00 -1.15 -4.82 105.19 109.59 1xj1 n GLY 45 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 0.10 -0.37 1.61 -7.23 -0.85 -1.57 120.40 112.10 1xj1 s VAL 46 Ca 0.00 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1xj1 s VAL 46 Cb 0.00 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1xj1 s VAL 46 CO 0.00 -0.46 0.51 0.00 -0.31 0.00 0.00 175.10 174.84 1xj1 s VAL 48 N 2.39 2.51 0.33 0.00 -7.23 -0.06 0.13 120.40 118.48 1xj1 s VAL 48 Ca 0.18 -2.26 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 1xj1 s VAL 48 Cb -0.16 -2.51 -0.13 0.00 0.56 0.00 0.00 36.38 34.15 1xj1 s VAL 48 CO 0.14 -0.32 1.12 -2.65 -0.31 0.00 0.00 175.10 173.08 1xj1 n PRO 49 N -0.73 1.65 -1.66 4.82 -0.02 -1.26 -1.44 135.00 136.36 1xj1 n PRO 49 Ca -0.05 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1xj1 n PRO 49 Cb 0.61 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.14 -1.32 -3.63 6.00 7.35 0.29 -4.74 117.46 121.55 1xj1 n PHE 50 Ca 0.08 -0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 56.21 1xj1 n PHE 50 Cb 0.35 0.22 -0.07 0.00 0.35 0.00 0.00 39.48 40.33 1xj1 n PHE 50 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xj1 s ASP 51 N -1.49 -0.72 0.00 -2.13 -1.08 -1.26 0.11 116.67 110.10 1xj1 s ASP 51 Ca 0.04 1.35 0.23 0.00 -0.52 0.00 0.00 52.55 53.65 1xj1 s ASP 51 Cb -0.01 1.36 1.40 0.00 -1.46 0.00 0.00 42.92 44.20 1xj1 s ASP 51 CO 0.03 -0.23 1.77 0.61 0.52 0.00 0.00 175.17 177.86