#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ck4 s VAL 2 N 0.00 4.28 -0.26 1.61 1.01 -0.62 -4.98 120.40 121.45 2ck4 s VAL 2 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2ck4 s VAL 2 Cb 0.00 -4.86 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 2ck4 s VAL 2 CO 0.00 -1.66 0.11 -0.51 0.00 0.00 0.00 175.10 173.03 2ck4 s ILE 3 N 4.02 4.56 0.17 2.22 1.10 -1.26 -0.45 121.20 131.56 2ck4 s ILE 3 Ca 0.34 -0.13 0.09 0.00 -0.51 0.00 0.00 60.65 60.45 2ck4 s ILE 3 Cb -0.06 -3.16 -0.04 0.00 0.15 0.00 0.00 42.46 39.34 2ck4 s ILE 3 CO -0.02 0.29 -0.10 0.27 -2.11 0.00 0.00 174.94 173.26 2ck4 s ILE 4 N 1.65 3.16 -0.46 2.00 -4.36 -0.88 -5.00 121.20 117.30 2ck4 s ILE 4 Ca 0.06 -1.64 0.04 0.00 -0.26 0.00 0.00 60.65 58.85 2ck4 s ILE 4 Cb -0.16 -2.56 0.34 0.00 1.25 0.00 0.00 42.46 41.34 2ck4 s ILE 4 CO 0.06 -0.09 1.22 0.59 0.24 0.00 0.00 174.94 176.95 2ck4 n ASN 5 N 0.11 3.23 -4.73 4.36 4.13 -1.26 -2.61 115.26 118.48 2ck4 n ASN 5 Ca -0.11 -2.55 -0.41 0.00 1.68 0.00 0.00 54.58 53.19 2ck4 n ASN 5 Cb 0.55 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 38.13 2ck4 n ASN 5 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2ck4 s VAL 6 N -1.66 4.59 -0.26 2.41 1.01 -1.26 -4.98 120.40 120.24 2ck4 s VAL 6 Ca 0.25 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.88 2ck4 s VAL 6 Cb 0.20 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2ck4 s VAL 6 CO 0.06 0.32 1.15 -0.75 0.00 0.00 0.00 175.10 175.89 2ck4 s LYS 7 N 0.03 4.11 -1.12 2.72 2.36 -1.26 -3.44 119.74 123.15 2ck4 s LYS 7 Ca 0.45 1.29 -0.21 0.00 -2.55 0.00 0.00 55.97 54.94 2ck4 s LYS 7 Cb -0.22 -3.75 0.04 0.00 -1.05 0.00 0.00 37.83 32.84 2ck4 s LYS 7 CO 0.28 -0.85 1.65 0.00 1.55 0.00 0.00 175.35 177.97 2ck4 h LYS 9 N 9.17 0.00 -2.27 0.00 6.56 -1.92 -3.44 116.57 124.67 2ck4 h LYS 9 Ca 0.28 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 60.07 2ck4 h LYS 9 Cb 0.95 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.55 2ck4 h LYS 9 CO 1.40 0.00 0.59 0.96 -2.06 0.00 0.00 179.45 180.34 2ck4 s ILE 10 N -3.67 0.00 0.04 1.86 -4.36 -1.26 -5.03 121.20 108.79 2ck4 s ILE 10 Ca -0.02 -0.55 0.19 0.00 -0.26 0.00 0.00 60.65 60.01 2ck4 s ILE 10 Cb 0.08 -2.38 0.13 0.00 1.25 0.00 0.00 42.46 41.55 2ck4 s ILE 10 CO 0.28 0.00 1.65 0.28 0.24 0.00 0.00 174.94 177.39 2ck4 h SER 11 N 2.00 0.00 -0.08 4.36 0.02 -1.87 -2.98 113.55 115.00 2ck4 h SER 11 Ca -0.26 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2ck4 h SER 11 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2ck4 h SER 11 CO 0.30 0.39 -0.05 0.03 -1.14 0.00 0.00 176.83 176.35 2ck4 h ARG 12 N 0.00 0.31 -0.20 3.45 2.47 -1.96 -0.21 114.38 118.24 2ck4 h ARG 12 Ca -0.00 -0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 2ck4 h ARG 12 Cb 1.04 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 2ck4 h ARG 12 CO 0.05 0.38 0.14 1.96 0.56 0.00 0.00 179.97 183.06 2ck4 h GLN 13 N 0.30 0.10 0.04 0.04 1.08 -1.91 -1.63 115.11 113.13 2ck4 h GLN 13 Ca 0.07 -0.01 -0.37 0.00 -1.45 0.00 0.00 58.65 56.89 2ck4 h GLN 13 Cb 0.29 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 2ck4 h GLN 13 CO 0.01 0.07 -2.09 0.00 -0.95 0.00 0.00 178.83 175.87 2ck4 h LEU 15 N -0.44 0.00 0.24 0.00 5.85 -0.95 -2.29 115.31 117.73 2ck4 h LEU 15 Ca -0.51 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2ck4 h LEU 15 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2ck4 h LEU 15 CO -0.15 0.33 -0.12 0.50 -0.34 0.00 0.00 178.44 178.67 2ck4 h LYS 16 N 0.00 -0.31 0.00 1.25 1.63 -1.51 0.15 116.57 117.78 2ck4 h LYS 16 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2ck4 h LYS 16 Cb 0.97 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2ck4 h LYS 16 CO 0.04 -0.11 0.00 -1.35 -3.45 0.00 0.00 179.45 174.58 2ck4 h PRO 17 N -0.46 0.00 0.00 1.90 0.11 -1.78 -3.15 132.00 128.63 2ck4 h PRO 17 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2ck4 h PRO 17 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2ck4 h PRO 17 CO 0.05 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.66 2ck4 h LYS 19 N -1.00 0.94 -0.15 0.00 1.57 -0.26 0.65 116.57 118.32 2ck4 h LYS 19 Ca -0.03 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2ck4 h LYS 19 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2ck4 h LYS 19 CO -0.02 0.63 -0.22 0.22 -0.57 0.00 0.00 179.45 179.49 2ck4 h ASP 20 N 0.97 0.26 0.55 0.86 3.58 -1.68 -2.21 116.42 118.74 2ck4 h ASP 20 Ca 0.39 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2ck4 h ASP 20 Cb 0.24 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2ck4 h ASP 20 CO -0.15 0.49 -0.64 0.00 -2.88 0.00 0.00 179.24 176.06 2ck4 n ALA 21 N -2.48 3.44 0.00 -0.78 0.00 -0.49 -4.94 120.51 115.26 2ck4 n ALA 21 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2ck4 n ALA 21 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2ck4 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ck4 n GLY 22 N 1.44 0.87 2.92 0.00 0.00 0.34 -5.01 105.19 105.75 2ck4 n GLY 22 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2ck4 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ck4 s MET 23 N 0.26 1.45 0.16 1.61 -1.94 0.20 0.09 119.30 121.14 2ck4 s MET 23 Ca 0.00 -1.15 -0.24 0.00 -1.71 0.00 0.00 55.69 52.59 2ck4 s MET 23 Cb 0.00 -2.60 0.05 0.00 2.01 0.00 0.00 34.83 34.29 2ck4 s MET 23 CO 0.00 -0.72 1.59 -0.09 -0.01 0.00 0.00 175.02 175.79 2ck4 h ARG 24 N 7.92 -0.25 -6.20 2.03 2.43 -0.39 -2.56 114.38 117.35 2ck4 h ARG 24 Ca -0.15 0.02 -0.48 0.00 -0.81 0.00 0.00 59.98 58.56 2ck4 h ARG 24 Cb 1.05 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2ck4 h ARG 24 CO 0.44 -0.17 -0.41 -0.06 -1.51 0.00 0.00 179.97 178.26 2ck4 s PHE 25 N -5.94 3.46 -0.33 2.20 0.08 -0.01 -4.86 117.98 112.59 2ck4 s PHE 25 Ca -0.15 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2ck4 s PHE 25 Cb 0.13 -1.63 0.19 0.00 -0.57 0.00 0.00 43.02 41.14 2ck4 s PHE 25 CO 0.67 0.42 0.97 0.20 -0.10 0.00 0.00 175.22 177.38 2ck4 s GLY 26 N -3.83 -1.41 -0.03 4.36 0.00 -1.24 -1.43 107.32 103.75 2ck4 s GLY 26 Ca 0.35 1.23 0.07 0.00 0.00 0.00 0.00 44.72 46.36 2ck4 s GLY 26 CO 0.30 4.16 -0.23 1.25 0.00 0.00 0.00 173.10 178.57 2ck4 s LYS 27 N 2.11 2.03 -0.04 2.90 2.47 0.33 -4.04 119.74 125.50 2ck4 s LYS 27 Ca 0.17 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.44 2ck4 s LYS 27 Cb 0.01 -1.89 -0.05 0.00 -1.46 0.00 0.00 37.83 34.44 2ck4 s LYS 27 CO -0.15 0.47 1.46 0.00 0.16 0.00 0.00 175.35 177.28 2ck4 s MET 29 N 3.09 0.33 -1.13 0.00 -1.94 0.30 -4.86 119.30 115.09 2ck4 s MET 29 Ca 0.65 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 2ck4 s MET 29 Cb -0.30 -1.52 0.00 0.00 2.01 0.00 0.00 34.83 35.02 2ck4 s MET 29 CO 0.25 -0.93 0.00 0.09 -0.01 0.00 0.00 175.02 174.42 2ck4 n ASN 30 N 5.15 -5.07 0.00 3.03 4.13 -1.26 -1.68 115.26 119.56 2ck4 n ASN 30 Ca -0.06 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.47 2ck4 n ASN 30 Cb 0.43 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.17 2ck4 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ck4 n GLY 31 N -0.62 2.13 3.91 7.41 0.00 -1.26 -5.08 105.19 111.68 2ck4 n GLY 31 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2ck4 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ck4 s LYS 32 N -0.17 3.13 -0.42 1.61 1.02 -0.68 -2.72 119.74 121.52 2ck4 s LYS 32 Ca 0.00 -0.97 -0.15 0.00 0.02 0.00 0.00 55.97 54.87 2ck4 s LYS 32 Cb 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2ck4 s LYS 32 CO 0.00 0.31 0.33 0.00 -0.92 0.00 0.00 175.35 175.07 2ck4 s HIS 34 N 1.77 2.95 0.10 0.00 3.76 -0.21 -2.07 115.29 121.59 2ck4 s HIS 34 Ca 0.06 -0.53 0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2ck4 s HIS 34 Cb -0.19 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.65 2ck4 s HIS 34 CO 0.11 -1.21 -0.04 0.00 -0.85 0.00 0.00 174.74 172.74 2ck4 s THR 36 N -1.27 1.33 0.47 0.00 2.01 -0.51 -1.59 115.64 116.08 2ck4 s THR 36 Ca 0.24 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 2ck4 s THR 36 Cb -0.11 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.14 2ck4 s THR 36 CO 0.16 0.39 1.42 -2.65 -0.69 0.00 0.00 174.62 173.26 2ck4 n PRO 37 N 3.55 2.14 0.00 4.92 -0.02 -1.26 0.14 135.00 144.48 2ck4 n PRO 37 Ca -0.21 0.77 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 2ck4 n PRO 37 Cb 0.52 -2.63 0.83 0.00 -0.02 0.00 0.00 33.50 32.21 2ck4 n PRO 37 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65