#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sp1 n LYS 2 N 0.00 0.00 -3.68 1.97 5.02 -1.26 -4.67 118.16 115.55 1sp1 n LYS 2 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1sp1 n LYS 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1sp1 n LYS 2 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1sp1 s PHE 3 N 0.00 3.47 0.00 2.13 -0.12 -1.26 -5.07 117.98 117.13 1sp1 s PHE 3 Ca 0.00 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 1sp1 s PHE 3 Cb 0.00 -2.00 0.00 0.00 -0.63 0.00 0.00 43.02 40.39 1sp1 s PHE 3 CO 0.00 0.43 0.00 0.00 -0.05 0.00 0.00 175.22 175.60 1sp1 n ALA 4 N 0.08 0.00 -1.36 1.99 0.00 -1.26 -4.43 120.51 115.53 1sp1 n ALA 4 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1sp1 n ALA 4 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 1sp1 n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sp1 n PRO 6 N 7.71 0.11 -0.05 0.00 -0.05 -1.26 -2.17 135.00 139.29 1sp1 n PRO 6 Ca 0.60 0.54 -0.15 0.00 -0.05 0.00 0.00 63.50 64.45 1sp1 n PRO 6 Cb 0.02 -1.81 -0.13 0.00 -0.05 0.00 0.00 33.50 31.54 1sp1 n PRO 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 1sp1 h GLU 7 N 0.00 0.04 -6.55 0.54 5.08 -2.02 -3.46 114.58 108.22 1sp1 h GLU 7 Ca 0.00 -0.06 -0.69 0.00 -1.00 0.00 0.00 59.36 57.60 1sp1 h GLU 7 Cb 0.08 0.02 -0.26 0.00 0.50 0.00 0.00 28.75 29.09 1sp1 h GLU 7 CO 0.00 0.96 -0.84 0.00 -1.00 0.00 0.00 179.01 178.14 1sp1 s PRO 9 N -0.92 1.89 0.02 0.00 0.04 -1.26 -4.55 135.00 130.22 1sp1 s PRO 9 Ca 0.12 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1sp1 s PRO 9 Cb -0.10 -5.13 -0.00 0.00 0.04 0.00 0.00 34.50 29.31 1sp1 s PRO 9 CO 0.01 -4.70 0.00 1.63 0.04 0.00 0.00 177.00 173.99 1sp1 n LYS 10 N 8.22 1.52 -3.83 4.56 4.76 -1.26 -5.13 118.16 127.00 1sp1 n LYS 10 Ca 0.43 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.61 1sp1 n LYS 10 Cb 0.47 0.05 -0.13 0.00 -1.84 0.00 0.00 35.03 33.58 1sp1 n LYS 10 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1sp1 s ARG 11 N -2.06 0.12 0.27 1.97 0.52 -1.26 -4.82 118.95 113.68 1sp1 s ARG 11 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1sp1 s ARG 11 Cb 0.00 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.49 1sp1 s ARG 11 CO 0.00 -0.02 0.27 -0.06 0.02 0.00 0.00 175.30 175.50 1sp1 s PHE 12 N 0.12 1.24 -0.29 -0.53 0.40 -1.26 -5.05 117.98 112.61 1sp1 s PHE 12 Ca -0.01 -1.38 0.18 0.00 -0.60 0.00 0.00 56.93 55.12 1sp1 s PHE 12 Cb -0.01 -0.45 0.48 0.00 0.51 0.00 0.00 43.02 43.55 1sp1 s PHE 12 CO -0.00 -0.83 1.10 -1.33 0.70 0.00 0.00 175.22 174.86 1sp1 n MET 13 N -0.44 2.12 -3.64 0.44 2.81 -1.26 -4.93 117.12 112.22 1sp1 n MET 13 Ca 0.03 -3.66 0.02 0.00 -1.81 0.00 0.00 57.70 52.28 1sp1 n MET 13 Cb 0.64 -1.72 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1sp1 n MET 13 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1sp1 s ARG 14 N -3.62 0.39 -0.05 0.03 3.52 -1.26 -5.04 118.95 112.91 1sp1 s ARG 14 Ca 0.33 -0.22 0.12 0.00 -0.13 0.00 0.00 55.73 55.83 1sp1 s ARG 14 Cb 0.37 0.13 -0.18 0.00 -1.56 0.00 0.00 34.95 33.72 1sp1 s ARG 14 CO -0.02 -0.18 0.19 -1.13 -0.81 0.00 0.00 175.30 173.35 1sp1 n SER 15 N -0.53 2.15 0.00 -2.12 3.41 -1.26 -4.07 113.62 111.20 1sp1 n SER 15 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1sp1 n SER 15 Cb 0.63 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 1sp1 n SER 15 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sp1 n ASP 16 N -2.11 0.00 0.02 4.04 9.92 -1.26 -1.18 116.55 125.98 1sp1 n ASP 16 Ca -0.08 0.44 0.20 0.00 -0.53 0.00 0.00 54.79 54.82 1sp1 n ASP 16 Cb 0.53 -0.28 0.71 0.00 -0.64 0.00 0.00 41.12 41.43 1sp1 n ASP 16 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 1sp1 h HIS 17 N 0.00 0.00 -0.34 1.24 2.76 -1.99 0.64 115.15 117.46 1sp1 h HIS 17 Ca 0.00 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 1sp1 h HIS 17 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1sp1 h HIS 17 CO 0.04 0.00 -0.37 1.25 -1.30 0.00 0.00 177.93 177.55 1sp1 h LEU 18 N 0.00 0.91 0.19 0.26 5.85 -1.71 -2.89 115.31 117.93 1sp1 h LEU 18 Ca 0.24 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1sp1 h LEU 18 Cb 1.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1sp1 h LEU 18 CO -0.00 1.21 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.93 1sp1 h SER 19 N 0.64 -0.21 -0.96 1.25 0.87 0.60 -2.86 113.55 112.87 1sp1 h SER 19 Ca 0.05 -0.25 0.27 0.00 -1.23 0.00 0.00 61.79 60.63 1sp1 h SER 19 Cb 0.96 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 1sp1 h SER 19 CO 0.09 0.16 0.48 0.11 -0.53 0.00 0.00 176.83 177.14 1sp1 h LYS 20 N -0.62 0.36 0.31 2.24 1.57 -1.38 0.15 116.57 119.20 1sp1 h LYS 20 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1sp1 h LYS 20 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1sp1 h LYS 20 CO 0.04 0.24 -0.15 1.25 -0.57 0.00 0.00 179.45 180.26 1sp1 h HIS 21 N 0.37 -0.40 0.00 -1.35 2.76 -1.35 -1.29 115.15 113.90 1sp1 h HIS 21 Ca 0.65 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.81 1sp1 h HIS 21 Cb 1.37 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1sp1 h HIS 21 CO -0.08 -0.25 0.00 0.82 -1.30 0.00 0.00 177.93 177.13 1sp1 h ILE 22 N -0.42 0.00 0.00 6.26 2.04 -0.57 -1.52 117.51 123.30 1sp1 h ILE 22 Ca -0.04 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1sp1 h ILE 22 Cb 0.33 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1sp1 h ILE 22 CO 0.07 0.00 -0.25 0.50 0.00 0.00 0.00 178.15 178.46 1sp1 h LYS 23 N 0.00 0.00 -0.00 2.37 3.11 0.11 -1.17 116.57 121.00 1sp1 h LYS 23 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1sp1 h LYS 23 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1sp1 h LYS 23 CO 0.00 0.25 -0.05 0.25 -2.81 0.00 0.00 179.45 177.09 1sp1 n THR 24 N -4.20 0.00 0.19 1.00 -2.24 -0.57 -3.11 114.28 105.35 1sp1 n THR 24 Ca -0.02 -0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1sp1 n THR 24 Cb 0.31 -0.41 0.13 0.00 -2.10 0.00 0.00 70.33 68.25 1sp1 n THR 24 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1sp1 h HIS 25 N 0.03 0.00 -2.19 4.78 3.86 -1.30 -3.35 115.15 116.99 1sp1 h HIS 25 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1sp1 h HIS 25 Cb 0.45 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.51 1sp1 h HIS 25 CO 0.00 0.14 -0.73 1.04 0.86 0.00 0.00 177.93 179.24 1sp1 n GLN 26 N -3.13 2.46 -1.68 2.45 3.00 -1.18 -5.07 117.38 114.23 1sp1 n GLN 26 Ca 0.03 -4.46 -0.45 0.00 -0.01 0.00 0.00 57.00 52.11 1sp1 n GLN 26 Cb 0.59 -2.08 -0.04 0.00 0.00 0.00 0.00 30.24 28.71 1sp1 n GLN 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1sp1 n ASN 27 N 0.39 3.38 -0.21 1.08 2.85 -1.26 -4.68 115.26 116.82 1sp1 n ASN 27 Ca 0.29 1.05 0.01 0.00 -0.11 0.00 0.00 54.58 55.81 1sp1 n ASN 27 Cb 0.44 -1.45 -0.00 0.00 1.24 0.00 0.00 39.78 40.01 1sp1 n ASN 27 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1sp1 n LYS 28 N 4.35 -0.09 0.00 1.20 2.85 -1.26 -5.16 118.16 120.05 1sp1 n LYS 28 Ca 0.18 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1sp1 n LYS 28 Cb 0.31 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1sp1 n LYS 28 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71