#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c56 h SER 3 N 7.11 0.00 -1.35 0.00 4.64 -2.04 -3.39 113.55 118.52 1c56 h SER 3 Ca -0.28 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.29 1c56 h SER 3 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1c56 h SER 3 CO 0.52 0.16 2.13 0.35 -0.87 0.00 0.00 176.83 179.12 1c56 n THR 4 N -2.82 4.74 -4.55 2.95 -2.24 -1.26 -4.92 114.28 106.18 1c56 n THR 4 Ca -0.00 -4.43 -0.30 0.00 -2.27 0.00 0.00 64.05 57.04 1c56 n THR 4 Cb 0.02 -2.23 -0.17 0.00 -2.10 0.00 0.00 70.33 65.85 1c56 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c56 s LEU 6 N 0.91 2.89 0.00 0.00 1.43 -1.06 -4.99 118.68 117.87 1c56 s LEU 6 Ca -0.07 0.20 0.22 0.00 -1.03 0.00 0.00 54.13 53.45 1c56 s LEU 6 Cb -0.15 -2.73 0.56 0.00 0.03 0.00 0.00 46.19 43.89 1c56 s LEU 6 CO -0.01 -1.75 1.48 -0.67 0.23 0.00 0.00 176.35 175.62 1c56 n ASP 7 N -2.94 3.50 -4.87 2.29 2.03 -1.26 -4.67 116.55 110.62 1c56 n ASP 7 Ca 0.10 -1.99 -0.36 0.00 0.52 0.00 0.00 54.79 53.06 1c56 n ASP 7 Cb 0.60 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1c56 n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1c56 s LEU 8 N -1.16 4.41 0.47 -2.67 1.43 -1.26 -5.03 118.68 114.88 1c56 s LEU 8 Ca 0.43 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 1c56 s LEU 8 Cb 0.23 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 1c56 s LEU 8 CO 0.31 0.31 1.02 0.00 0.23 0.00 0.00 176.35 178.23 1c56 s ALA 9 N -1.16 2.90 1.00 4.21 0.00 -1.26 -2.28 121.76 125.17 1c56 s ALA 9 Ca 0.23 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1c56 s ALA 9 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1c56 s ALA 9 CO 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 175.76 175.64 1c56 n GLY 11 N 4.34 1.43 3.14 0.00 0.00 -1.26 -4.97 105.19 107.87 1c56 n GLY 11 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1c56 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c56 s ALA 12 N -0.74 -1.81 0.45 4.61 0.00 -1.26 -5.01 121.76 118.00 1c56 s ALA 12 Ca 0.00 1.60 0.30 0.00 0.00 0.00 0.00 51.96 53.87 1c56 s ALA 12 Cb 0.00 -1.92 1.40 0.00 0.00 0.00 0.00 23.12 22.60 1c56 s ALA 12 CO 0.00 -1.22 1.67 1.03 0.00 0.00 0.00 175.76 177.24 1c56 h SER 13 N 8.07 0.24 -0.17 0.00 0.87 -1.99 0.40 113.55 120.96 1c56 h SER 13 Ca -0.21 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1c56 h SER 13 Cb 1.15 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1c56 h SER 13 CO 0.24 -0.08 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.21 1c56 h ARG 14 N 0.14 0.40 -0.67 2.24 2.43 -1.97 0.18 114.38 117.13 1c56 h ARG 14 Ca 0.75 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.81 1c56 h ARG 14 Cb 2.42 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.90 1c56 h ARG 14 CO -0.31 0.76 0.30 1.49 -1.51 0.00 0.00 179.97 180.70 1c56 h GLU 15 N 0.06 0.49 0.00 0.20 4.81 -0.62 -0.68 114.58 118.84 1c56 h GLU 15 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1c56 h GLU 15 Cb 0.67 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1c56 h GLU 15 CO 0.04 0.33 -0.28 0.00 -0.73 0.00 0.00 179.01 178.37 1c56 h TYR 17 N 0.00 0.00 0.52 0.00 5.03 0.90 0.38 116.97 123.81 1c56 h TYR 17 Ca -0.01 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1c56 h TYR 17 Cb 1.07 -0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.36 1c56 h TYR 17 CO 0.00 0.34 -0.25 -0.44 -1.32 0.00 0.00 178.16 176.49 1c56 h ASP 18 N 0.00 -0.60 0.24 -2.11 3.32 -1.47 -2.54 116.42 113.27 1c56 h ASP 18 Ca -0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1c56 h ASP 18 Cb 0.61 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1c56 h ASP 18 CO 0.04 -0.23 -0.12 1.55 -1.72 0.00 0.00 179.24 178.77 1c56 h PRO 19 N -1.02 -0.31 -0.57 3.56 0.13 -1.69 -1.83 132.00 130.27 1c56 h PRO 19 Ca -0.07 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 1c56 h PRO 19 Cb 0.62 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1c56 h PRO 19 CO 0.12 0.00 0.77 0.00 -0.23 0.00 0.00 178.00 178.66 1c56 n PHE 21 N -3.34 1.15 0.18 0.00 7.35 -0.95 -2.97 117.46 118.88 1c56 n PHE 21 Ca 0.12 0.28 0.11 0.00 -0.76 0.00 0.00 57.45 57.20 1c56 n PHE 21 Cb 0.97 -1.16 0.12 0.00 0.35 0.00 0.00 39.48 39.75 1c56 n PHE 21 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1c56 h LYS 22 N 0.05 0.00 0.00 -4.13 1.57 0.54 -0.30 116.57 114.30 1c56 h LYS 22 Ca -0.39 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1c56 h LYS 22 Cb 2.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 1c56 h LYS 22 CO 0.08 0.05 -0.48 0.00 -0.57 0.00 0.00 179.45 178.54 1c56 h ALA 23 N 1.94 0.04 0.05 3.86 0.00 0.48 -3.41 119.26 122.22 1c56 h ALA 23 Ca -0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 1c56 h ALA 23 Cb 1.05 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1c56 h ALA 23 CO 0.01 0.40 -1.84 1.19 0.00 0.00 0.00 179.25 179.00 1c56 n PHE 24 N -4.63 1.07 0.00 0.00 3.72 -1.16 -4.98 117.46 111.49 1c56 n PHE 24 Ca -0.09 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1c56 n PHE 24 Cb 0.28 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 1c56 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c56 n GLY 25 N 1.73 2.51 3.08 1.37 0.00 -0.12 -5.03 105.19 108.74 1c56 n GLY 25 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1c56 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c56 s ARG 26 N -0.28 2.53 -1.25 1.61 0.52 -1.24 -4.84 118.95 116.00 1c56 s ARG 26 Ca 0.00 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 1c56 s ARG 26 Cb 0.00 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.26 1c56 s ARG 26 CO 0.00 -0.10 2.37 0.00 0.02 0.00 0.00 175.30 177.59 1c56 n ALA 27 N 4.34 5.55 -3.69 2.13 0.00 -1.26 -4.28 120.51 123.31 1c56 n ALA 27 Ca -0.19 -3.20 -0.30 0.00 0.00 0.00 0.00 53.44 49.76 1c56 n ALA 27 Cb 0.51 -3.37 -0.15 0.00 0.00 0.00 0.00 19.45 16.44 1c56 n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1c56 s HIS 28 N 3.27 1.51 0.00 0.00 5.04 -1.26 -4.96 115.29 118.89 1c56 s HIS 28 Ca 0.54 -1.71 0.00 0.00 -1.54 0.00 0.00 55.06 52.35 1c56 s HIS 28 Cb 0.14 -1.59 0.00 0.00 0.04 0.00 0.00 32.58 31.18 1c56 s HIS 28 CO -0.03 -0.86 0.00 0.41 -2.34 0.00 0.00 174.74 171.92 1c56 n GLY 29 N 4.68 2.56 3.31 1.59 0.00 -1.26 -2.29 105.19 113.79 1c56 n GLY 29 Ca -0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1c56 n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c56 n LYS 30 N 0.00 0.57 -3.43 1.61 5.02 -0.24 -4.90 118.16 116.78 1c56 n LYS 30 Ca 0.00 -3.06 -0.44 0.00 -2.02 0.00 0.00 58.31 52.79 1c56 n LYS 30 Cb 0.00 2.73 -0.09 0.00 -0.02 0.00 0.00 35.03 37.65 1c56 n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c56 s MET 32 N 1.66 2.84 -0.97 0.00 1.75 0.62 -4.73 119.30 120.48 1c56 s MET 32 Ca 0.05 -0.78 -0.01 0.00 -1.25 0.00 0.00 55.69 53.70 1c56 s MET 32 Cb -0.21 -2.41 0.00 0.00 2.84 0.00 0.00 34.83 35.05 1c56 s MET 32 CO 0.09 -0.14 0.81 -1.71 -0.65 0.00 0.00 175.02 173.41 1c56 n ASN 33 N 4.44 -2.44 -0.97 1.11 2.85 -1.26 -1.82 115.26 117.17 1c56 n ASN 33 Ca -0.20 -0.48 -0.12 0.00 -0.11 0.00 0.00 54.58 53.67 1c56 n ASN 33 Cb 0.51 -4.16 -0.05 0.00 1.24 0.00 0.00 39.78 37.32 1c56 n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1c56 n ASN 34 N -2.61 -5.39 -4.06 1.20 5.03 -1.26 -4.93 115.26 103.24 1c56 n ASN 34 Ca -0.20 0.30 -0.14 0.00 0.87 0.00 0.00 54.58 55.41 1c56 n ASN 34 Cb 0.62 -4.13 -0.12 0.00 -1.02 0.00 0.00 39.78 35.13 1c56 n ASN 34 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1c56 s LYS 35 N -2.99 0.55 -0.03 3.52 1.02 -0.76 -2.90 119.74 118.16 1c56 s LYS 35 Ca 0.00 -0.68 -0.27 0.00 0.02 0.00 0.00 55.97 55.03 1c56 s LYS 35 Cb 0.00 -0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1c56 s LYS 35 CO 0.00 0.08 0.87 0.00 -0.92 0.00 0.00 175.35 175.37 1c56 s ARG 37 N 0.93 2.11 0.55 0.00 3.52 0.34 -2.55 118.95 123.86 1c56 s ARG 37 Ca 0.46 -1.03 -0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1c56 s ARG 37 Cb -0.20 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1c56 s ARG 37 CO 0.24 -0.49 0.89 0.00 -0.81 0.00 0.00 175.30 175.13 1c56 s TYR 39 N -2.93 0.74 0.00 0.00 -0.85 -0.97 -4.39 117.35 108.95 1c56 s TYR 39 Ca 0.51 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 1c56 s TYR 39 Cb -0.11 -0.47 0.00 0.00 0.38 0.00 0.00 41.96 41.77 1c56 s TYR 39 CO 0.47 -0.26 0.31 0.25 -1.52 0.00 0.00 175.55 174.81