#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c55 n SER 3 N -1.48 0.00 -2.35 0.00 3.41 -1.26 -4.64 113.62 107.29 1c55 n SER 3 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.50 1c55 n SER 3 Cb 0.52 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 1c55 n SER 3 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1c55 n THR 4 N -1.84 3.36 -4.35 6.66 -2.24 -1.26 -4.87 114.28 109.74 1c55 n THR 4 Ca 0.00 -1.90 -0.24 0.00 -2.27 0.00 0.00 64.05 59.64 1c55 n THR 4 Cb 0.00 -2.11 -0.09 0.00 -2.10 0.00 0.00 70.33 66.03 1c55 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c55 s LEU 6 N -3.68 3.18 -0.00 0.00 1.43 -1.04 -4.94 118.68 113.63 1c55 s LEU 6 Ca 0.34 -0.99 0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1c55 s LEU 6 Cb -0.02 -1.58 0.37 0.00 0.03 0.00 0.00 46.19 44.99 1c55 s LEU 6 CO 0.19 -0.54 1.31 -0.67 0.23 0.00 0.00 176.35 176.87 1c55 n ASP 7 N -1.29 2.26 -4.75 2.29 2.03 -1.26 -4.70 116.55 111.13 1c55 n ASP 7 Ca -0.00 -2.00 -0.35 0.00 0.52 0.00 0.00 54.79 52.96 1c55 n ASP 7 Cb 0.64 -0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 40.67 1c55 n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1c55 s LEU 8 N -1.00 3.83 0.51 -2.67 1.43 -1.26 -5.07 118.68 114.45 1c55 s LEU 8 Ca 0.28 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 1c55 s LEU 8 Cb 0.15 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1c55 s LEU 8 CO 0.19 0.37 1.15 0.00 0.23 0.00 0.00 176.35 178.29 1c55 s ALA 9 N -0.98 2.81 0.18 4.21 0.00 -1.26 -2.62 121.76 124.10 1c55 s ALA 9 Ca 0.15 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1c55 s ALA 9 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1c55 s ALA 9 CO 0.05 -0.73 0.66 0.00 0.00 0.00 0.00 175.76 175.74 1c55 n GLY 11 N 0.98 0.49 3.03 0.00 0.00 -1.26 -4.66 105.19 103.77 1c55 n GLY 11 Ca -0.05 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1c55 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c55 s ALA 12 N 0.00 2.08 0.29 4.61 0.00 -1.26 -5.01 121.76 122.47 1c55 s ALA 12 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1c55 s ALA 12 Cb 0.00 -1.24 0.74 0.00 0.00 0.00 0.00 23.12 22.61 1c55 s ALA 12 CO 0.00 -0.68 1.70 0.66 0.00 0.00 0.00 175.76 177.44 1c55 h SER 13 N 7.97 0.37 0.14 0.00 4.64 -1.99 0.31 113.55 124.99 1c55 h SER 13 Ca -0.32 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1c55 h SER 13 Cb 1.11 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1c55 h SER 13 CO 0.51 0.02 -0.27 0.08 -0.87 0.00 0.00 176.83 176.30 1c55 h ARG 14 N 0.43 0.22 -0.21 4.77 0.11 -1.98 0.37 114.38 118.08 1c55 h ARG 14 Ca 0.56 -0.07 -0.14 0.00 0.10 0.00 0.00 59.98 60.43 1c55 h ARG 14 Cb 1.06 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 1c55 h ARG 14 CO -0.52 0.48 -0.44 1.49 0.10 0.00 0.00 179.97 181.08 1c55 h GLU 15 N 0.20 0.51 0.00 0.08 4.81 -0.83 -2.76 114.58 116.60 1c55 h GLU 15 Ca 0.03 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1c55 h GLU 15 Cb 0.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1c55 h GLU 15 CO 0.04 0.86 -0.63 0.00 -0.73 0.00 0.00 179.01 178.55 1c55 h TYR 17 N 0.00 -0.17 -0.69 0.00 5.03 -0.00 -2.16 116.97 118.97 1c55 h TYR 17 Ca 0.00 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.45 1c55 h TYR 17 Cb 0.64 0.06 -0.13 0.00 1.55 0.00 0.00 36.73 38.85 1c55 h TYR 17 CO 0.00 0.28 -0.13 0.22 -1.32 0.00 0.00 178.16 177.21 1c55 h ASP 18 N -0.87 -0.56 0.18 -2.11 3.58 -1.66 0.54 116.42 115.51 1c55 h ASP 18 Ca -0.02 0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1c55 h ASP 18 Cb 0.53 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1c55 h ASP 18 CO 0.03 -0.21 -0.09 1.55 -2.88 0.00 0.00 179.24 177.64 1c55 h PRO 19 N 0.02 -0.24 -0.97 0.28 0.13 -1.72 -1.29 132.00 128.21 1c55 h PRO 19 Ca 0.34 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.69 1c55 h PRO 19 Cb 0.55 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.64 1c55 h PRO 19 CO -0.69 -0.16 0.62 0.00 -0.23 0.00 0.00 178.00 177.54 1c55 h PHE 21 N 0.59 0.77 -0.00 0.00 3.57 0.03 -2.15 116.94 119.75 1c55 h PHE 21 Ca 0.54 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1c55 h PHE 21 Cb 1.07 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1c55 h PHE 21 CO -0.00 0.73 -0.26 1.17 -2.23 0.00 0.00 178.31 177.72 1c55 n LYS 22 N -4.48 0.52 0.00 1.11 3.00 0.15 -2.80 118.16 115.65 1c55 n LYS 22 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 1c55 n LYS 22 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1c55 n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c55 n ALA 23 N -1.01 0.00 0.10 3.14 0.00 0.44 -4.69 120.51 118.49 1c55 n ALA 23 Ca 0.11 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1c55 n ALA 23 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 1c55 n ALA 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1c55 n PHE 24 N -1.90 0.97 0.00 0.00 3.72 -0.84 -4.97 117.46 114.43 1c55 n PHE 24 Ca 0.00 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1c55 n PHE 24 Cb 0.00 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 1c55 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c55 n GLY 25 N 1.20 3.12 3.45 1.37 0.00 -1.12 -5.03 105.19 108.18 1c55 n GLY 25 Ca -0.01 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1c55 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c55 s ARG 26 N 0.00 3.64 -1.39 1.61 1.81 -1.26 -4.73 118.95 118.63 1c55 s ARG 26 Ca 0.00 -0.49 -0.14 0.00 -1.72 0.00 0.00 55.73 53.37 1c55 s ARG 26 Cb 0.00 -3.37 0.07 0.00 -0.45 0.00 0.00 34.95 31.20 1c55 s ARG 26 CO 0.00 -0.21 2.04 0.00 -0.68 0.00 0.00 175.30 176.45 1c55 n ALA 27 N 4.94 4.99 -3.77 2.13 0.00 -1.26 -4.57 120.51 122.97 1c55 n ALA 27 Ca -0.16 -3.94 -0.30 0.00 0.00 0.00 0.00 53.44 49.05 1c55 n ALA 27 Cb 0.51 -3.47 -0.14 0.00 0.00 0.00 0.00 19.45 16.35 1c55 n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1c55 s HIS 28 N 3.06 2.18 0.28 0.00 5.04 -1.26 -4.94 115.29 119.65 1c55 s HIS 28 Ca 0.48 -2.38 0.03 0.00 -1.54 0.00 0.00 55.06 51.65 1c55 s HIS 28 Cb 0.10 -2.02 -0.01 0.00 0.04 0.00 0.00 32.58 30.69 1c55 s HIS 28 CO -0.04 -0.82 0.32 0.41 -2.34 0.00 0.00 174.74 172.27 1c55 n GLY 29 N 3.89 2.72 0.00 1.59 0.00 -1.26 -2.18 105.19 109.94 1c55 n GLY 29 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1c55 n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c55 n LYS 30 N -0.50 1.82 -4.02 1.61 3.00 0.29 -4.90 118.16 115.46 1c55 n LYS 30 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.03 1c55 n LYS 30 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.37 1c55 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c55 s MET 32 N 1.02 2.53 -1.32 0.00 1.75 0.21 -4.72 119.30 118.77 1c55 s MET 32 Ca 0.04 -0.78 -0.05 0.00 -1.25 0.00 0.00 55.69 53.65 1c55 s MET 32 Cb -0.19 -2.02 0.02 0.00 2.84 0.00 0.00 34.83 35.48 1c55 s MET 32 CO -0.08 0.22 1.00 -1.71 -0.65 0.00 0.00 175.02 173.81 1c55 n ASN 33 N 3.36 -3.70 -1.86 1.11 2.85 -1.26 -0.87 115.26 114.89 1c55 n ASN 33 Ca -0.19 -0.65 -0.18 0.00 -0.11 0.00 0.00 54.58 53.45 1c55 n ASN 33 Cb 0.53 -4.72 -0.05 0.00 1.24 0.00 0.00 39.78 36.78 1c55 n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1c55 n ASN 34 N -3.04 -4.84 -4.05 1.20 5.03 -1.26 -4.92 115.26 103.38 1c55 n ASN 34 Ca -0.15 0.29 -0.14 0.00 0.87 0.00 0.00 54.58 55.46 1c55 n ASN 34 Cb 0.61 -4.23 -0.12 0.00 -1.02 0.00 0.00 39.78 35.02 1c55 n ASN 34 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1c55 s LYS 35 N -4.09 0.53 -0.22 3.52 -0.14 -0.05 -1.47 119.74 117.82 1c55 s LYS 35 Ca 0.00 -0.66 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 1c55 s LYS 35 Cb 0.00 -0.35 -0.03 0.00 -1.68 0.00 0.00 37.83 35.78 1c55 s LYS 35 CO 0.00 0.07 0.57 0.00 -0.76 0.00 0.00 175.35 175.23 1c55 s ARG 37 N 2.00 2.95 0.03 0.00 1.70 -0.46 -2.49 118.95 122.68 1c55 s ARG 37 Ca 0.25 -0.89 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 1c55 s ARG 37 Cb -0.16 -2.85 -0.06 0.00 -0.57 0.00 0.00 34.95 31.32 1c55 s ARG 37 CO 0.09 -0.31 0.61 0.00 -1.08 0.00 0.00 175.30 174.62 1c55 s TYR 39 N -0.50 0.94 -2.69 0.00 1.13 -0.93 -4.58 117.35 110.72 1c55 s TYR 39 Ca 0.31 -0.19 0.26 0.00 -1.41 0.00 0.00 57.07 56.05 1c55 s TYR 39 Cb -0.19 -0.62 0.72 0.00 -1.10 0.00 0.00 41.96 40.78 1c55 s TYR 39 CO 0.19 -0.03 1.56 0.25 -2.51 0.00 0.00 175.55 175.01