#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1et1 n VAL 2 N 0.00 1.64 -0.35 -3.33 0.24 -1.26 -4.55 118.33 110.72 1et1 n VAL 2 Ca 0.00 -1.71 0.12 0.00 -2.04 0.00 0.00 64.34 60.70 1et1 n VAL 2 Cb 0.00 0.03 0.30 0.00 -1.47 0.00 0.00 33.84 32.70 1et1 n VAL 2 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1et1 h SER 3 N 0.62 0.79 0.89 -1.34 4.64 -2.05 -0.54 113.55 116.57 1et1 h SER 3 Ca 0.00 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1et1 h SER 3 Cb 0.93 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1et1 h SER 3 CO 0.05 0.31 -0.41 1.05 -0.87 0.00 0.00 176.83 176.96 1et1 h GLU 4 N 0.79 0.00 -0.16 4.77 9.09 -2.00 -0.16 114.58 126.92 1et1 h GLU 4 Ca 0.56 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.90 1et1 h GLU 4 Cb 0.81 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1et1 h GLU 4 CO -0.36 0.41 -0.16 0.82 0.05 0.00 0.00 179.01 179.76 1et1 h ILE 5 N 0.00 1.34 -0.54 -1.06 2.04 -1.46 -1.66 117.51 116.17 1et1 h ILE 5 Ca -0.00 -1.33 0.05 0.00 1.00 0.00 0.00 64.86 64.57 1et1 h ILE 5 Cb 0.96 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 1et1 h ILE 5 CO 0.05 0.39 0.28 1.56 0.00 0.00 0.00 178.15 180.44 1et1 h GLN 6 N 0.02 0.52 -0.30 2.37 4.20 -1.03 0.09 115.11 120.98 1et1 h GLN 6 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1et1 h GLN 6 Cb 0.70 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1et1 h GLN 6 CO 0.04 0.35 0.15 -0.07 -0.67 0.00 0.00 178.83 178.62 1et1 h LEU 7 N 0.54 0.40 -0.97 1.46 3.38 -0.99 -0.33 115.31 118.80 1et1 h LEU 7 Ca 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1et1 h LEU 7 Cb 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1et1 h LEU 7 CO -0.16 0.41 0.23 0.24 0.09 0.00 0.00 178.44 179.25 1et1 h MET 8 N 0.36 0.98 -0.15 1.13 2.86 -0.94 0.70 114.93 119.86 1et1 h MET 8 Ca 0.10 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1et1 h MET 8 Cb 0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1et1 h MET 8 CO -0.01 0.82 0.08 0.45 1.06 0.00 0.00 176.91 179.31 1et1 h HIS 9 N 0.95 0.21 -0.77 -0.22 3.86 -0.69 -0.50 115.15 117.99 1et1 h HIS 9 Ca 0.22 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1et1 h HIS 9 Cb 0.23 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1et1 h HIS 9 CO 0.02 0.21 0.36 -0.91 0.86 0.00 0.00 177.93 178.47 1et1 h ASN 10 N 0.15 1.02 -0.53 2.45 -0.26 -0.79 -1.60 115.58 116.02 1et1 h ASN 10 Ca 0.05 -0.14 0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1et1 h ASN 10 Cb 0.07 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 1et1 h ASN 10 CO -0.01 0.88 0.35 0.25 -1.06 0.00 0.00 177.43 177.84 1et1 h LEU 11 N 1.09 0.60 -0.98 1.61 5.85 -0.70 -0.42 115.31 122.36 1et1 h LEU 11 Ca 0.26 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1et1 h LEU 11 Cb 0.14 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1et1 h LEU 11 CO -0.03 0.43 0.33 1.23 -0.34 0.00 0.00 178.44 180.07 1et1 h GLY 12 N 0.71 1.14 0.96 3.75 0.00 -0.74 0.74 103.07 109.63 1et1 h GLY 12 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1et1 h GLY 12 CO -0.05 0.54 0.20 0.50 0.00 0.00 0.00 176.54 177.74 1et1 h LYS 13 N 1.05 0.63 -0.59 4.80 1.57 -0.88 -0.52 116.57 122.64 1et1 h LYS 13 Ca 0.25 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1et1 h LYS 13 Cb 0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1et1 h LYS 13 CO -0.03 0.56 0.16 0.45 -0.57 0.00 0.00 179.45 180.02 1et1 h HIS 14 N 0.56 0.98 -0.60 -1.35 3.86 -0.59 -1.47 115.15 116.54 1et1 h HIS 14 Ca 0.15 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1et1 h HIS 14 Cb 0.14 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1et1 h HIS 14 CO -0.01 0.83 0.36 -0.07 0.86 0.00 0.00 177.93 179.90 1et1 h LEU 15 N 0.85 0.73 -0.93 2.43 3.38 -0.69 -0.81 115.31 120.27 1et1 h LEU 15 Ca 0.19 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1et1 h LEU 15 Cb 0.33 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1et1 h LEU 15 CO -0.00 0.58 0.59 0.78 0.09 0.00 0.00 178.44 180.48 1et1 h ASN 16 N 0.81 0.97 -0.66 -0.43 2.35 -0.85 0.10 115.58 117.88 1et1 h ASN 16 Ca 0.21 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1et1 h ASN 16 Cb -0.01 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1et1 h ASN 16 CO -0.04 0.65 0.28 0.28 -1.65 0.00 0.00 177.43 176.95 1et1 h SER 17 N 1.12 0.89 -0.18 5.81 0.02 -0.77 -2.30 113.55 118.14 1et1 h SER 17 Ca 0.38 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1et1 h SER 17 Cb 0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1et1 h SER 17 CO -0.14 0.80 -0.08 0.24 -1.14 0.00 0.00 176.83 176.50 1et1 h MET 18 N 0.92 0.52 -0.83 3.45 2.86 -0.45 -1.05 114.93 120.35 1et1 h MET 18 Ca 0.22 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1et1 h MET 18 Cb 0.17 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1et1 h MET 18 CO -0.02 0.61 0.54 0.93 1.06 0.00 0.00 176.91 180.02 1et1 h GLU 19 N 0.49 1.01 -0.40 1.72 5.08 -0.60 -0.42 114.58 121.46 1et1 h GLU 19 Ca 0.10 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1et1 h GLU 19 Cb 0.44 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1et1 h GLU 19 CO 0.02 0.67 -0.25 0.00 -1.00 0.00 0.00 179.01 178.45 1et1 h ARG 20 N 1.04 0.82 -0.68 2.33 3.08 -0.82 0.12 114.38 120.28 1et1 h ARG 20 Ca 0.33 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1et1 h ARG 20 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1et1 h ARG 20 CO -0.11 0.98 0.19 0.28 -1.07 0.00 0.00 179.97 180.24 1et1 h VAL 21 N 0.71 1.25 -0.26 2.04 2.07 -0.86 -1.51 116.25 119.69 1et1 h VAL 21 Ca 0.09 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1et1 h VAL 21 Cb 0.79 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1et1 h VAL 21 CO 0.07 0.35 -0.36 -0.33 0.02 0.00 0.00 177.57 177.32 1et1 h GLU 22 N 1.01 0.58 -0.28 1.57 4.39 -0.78 0.55 114.58 121.62 1et1 h GLU 22 Ca 0.22 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.70 1et1 h GLU 22 Cb 0.32 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1et1 h GLU 22 CO -0.00 0.85 -0.13 2.35 -1.16 0.00 0.00 179.01 180.92 1et1 h TRP 23 N 0.49 -0.31 -0.38 4.33 7.01 -0.54 -1.45 115.95 125.10 1et1 h TRP 23 Ca 0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1et1 h TRP 23 Cb 0.85 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.07 1et1 h TRP 23 CO 0.03 -0.20 0.19 1.25 -2.79 0.00 0.00 178.44 176.93 1et1 h LEU 24 N -0.09 0.49 -0.56 0.65 5.85 -0.88 -1.80 115.31 118.96 1et1 h LEU 24 Ca 0.14 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1et1 h LEU 24 Cb 0.31 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1et1 h LEU 24 CO -0.33 0.47 0.15 -0.09 -0.34 0.00 0.00 178.44 178.29 1et1 h ARG 25 N 0.48 0.29 -0.15 1.25 2.43 -0.54 -0.05 114.38 118.08 1et1 h ARG 25 Ca 0.13 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1et1 h ARG 25 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1et1 h ARG 25 CO -0.02 0.19 -0.41 0.87 -1.51 0.00 0.00 179.97 179.09 1et1 h LYS 26 N 0.30 0.36 -0.49 0.20 1.57 -1.01 0.11 116.57 117.59 1et1 h LYS 26 Ca 0.28 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1et1 h LYS 26 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1et1 h LYS 26 CO -0.34 0.71 0.29 0.87 -0.57 0.00 0.00 179.45 180.42 1et1 h LYS 27 N 0.30 0.56 -0.39 3.15 1.79 -0.63 -1.46 116.57 119.89 1et1 h LYS 27 Ca 0.03 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 1et1 h LYS 27 Cb 0.86 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1et1 h LYS 27 CO 0.07 0.37 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.51 1et1 h LEU 28 N 0.58 0.80 -0.62 2.94 3.38 -0.57 -1.84 115.31 119.98 1et1 h LEU 28 Ca 0.20 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1et1 h LEU 28 Cb 0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1et1 h LEU 28 CO -0.10 1.00 0.32 1.56 0.09 0.00 0.00 178.44 181.32 1et1 h GLN 29 N 0.68 0.58 -0.59 1.13 1.08 -0.55 -0.15 115.11 117.30 1et1 h GLN 29 Ca 0.09 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1et1 h GLN 29 Cb 0.75 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1et1 h GLN 29 CO 0.06 0.39 0.03 -0.44 -0.95 0.00 0.00 178.83 177.92 1et1 h ASP 30 N 0.60 0.97 -0.64 1.46 3.32 -0.95 -0.03 116.42 121.15 1et1 h ASP 30 Ca 0.28 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1et1 h ASP 30 Cb 0.20 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1et1 h ASP 30 CO -0.19 1.00 0.28 0.58 -1.72 0.00 0.00 179.24 179.19 1et1 h VAL 31 N 0.93 1.23 -0.60 -1.35 2.07 -0.93 -1.25 116.25 116.35 1et1 h VAL 31 Ca 0.17 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1et1 h VAL 31 Cb 0.49 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1et1 h VAL 31 CO 0.02 0.27 0.13 -0.74 0.02 0.00 0.00 177.57 177.27 1et1 h HIS 32 N 0.90 0.98 0.00 1.57 -0.00 -0.60 -3.33 115.15 114.66 1et1 h HIS 32 Ca 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1et1 h HIS 32 Cb 0.16 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1et1 h HIS 32 CO 0.01 0.82 -1.68 0.09 -0.00 0.00 0.00 177.93 177.16 1et1 n ASN 33 N -4.25 0.27 0.00 3.26 3.02 -0.06 -5.10 115.26 112.40 1et1 n ASN 33 Ca 0.04 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1et1 n ASN 33 Cb 0.25 1.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 1et1 n ASN 33 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13