#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 -1.30 -2.39 -2.34 0.00 3.41 -1.26 -4.93 113.62 104.80 1c55 n SER 3 Ca 0.00 0.63 -0.16 0.00 -0.26 0.00 0.00 58.87 59.08 1c55 n SER 3 Cb 0.00 2.35 -0.12 0.00 -0.26 0.00 0.00 64.21 66.18 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 -3.27 2.89 -5.14 6.66 -2.24 -1.26 -4.84 114.28 107.08 1c55 n THR 4 Ca 0.00 -1.53 -0.32 0.00 -2.27 0.00 0.00 64.05 59.94 1c55 n THR 4 Cb 0.00 -2.06 -0.15 0.00 -2.10 0.00 0.00 70.33 66.02 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 -0.59 4.16 0.00 0.00 1.43 -0.91 -4.92 118.68 117.85 1c55 s LEU 6 Ca 0.09 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1c55 s LEU 6 Cb -0.11 -2.76 0.28 0.00 0.03 0.00 0.00 46.19 43.64 1c55 s LEU 6 CO 0.00 0.09 1.20 -0.67 0.23 0.00 0.00 176.35 177.20 1c55 n ASP 7 N -0.22 0.55 -4.66 2.29 2.03 -1.26 -4.42 116.55 110.85 1c55 n ASP 7 Ca -0.07 -1.90 -0.41 0.00 0.52 0.00 0.00 54.79 52.93 1c55 n ASP 7 Cb 0.53 -0.06 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.12 4.16 -0.21 -2.67 1.43 -1.26 -4.99 118.68 114.01 1c55 s LEU 8 Ca 0.12 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 1c55 s LEU 8 Cb 0.06 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1c55 s LEU 8 CO 0.09 -0.37 1.60 0.00 0.23 0.00 0.00 176.35 177.89 1c55 s ALA 9 N 2.15 3.31 1.00 4.21 0.00 -1.26 -1.77 121.76 129.39 1c55 s ALA 9 Ca 0.35 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1c55 s ALA 9 Cb -0.16 -3.83 0.14 0.00 0.00 0.00 0.00 23.12 19.26 1c55 s ALA 9 CO 0.11 -1.88 0.18 0.00 0.00 0.00 0.00 175.76 174.17 1c55 n GLY 11 N 2.47 1.07 2.90 0.00 0.00 -1.26 -4.92 105.19 105.45 1c55 n GLY 11 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.23 0.01 4.61 0.00 -1.26 -5.08 121.76 119.81 1c55 s ALA 12 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1c55 s ALA 12 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1c55 s ALA 12 CO 0.00 -0.21 1.07 0.77 0.00 0.00 0.00 175.76 177.39 1c55 h SER 13 N 7.40 -0.19 -0.99 0.00 0.02 -1.99 -2.32 113.55 115.49 1c55 h SER 13 Ca -0.39 0.02 0.31 0.00 -0.84 0.00 0.00 61.79 60.89 1c55 h SER 13 Cb 1.14 0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 1c55 h SER 13 CO 0.39 -0.07 0.52 -0.09 -1.14 0.00 0.00 176.83 176.44 1c55 h ARG 14 N -0.10 0.29 -0.78 3.45 9.65 -1.97 0.79 114.38 125.70 1c55 h ARG 14 Ca -0.00 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1c55 h ARG 14 Cb 0.10 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1c55 h ARG 14 CO -0.03 0.19 0.49 1.49 2.80 0.00 0.00 179.97 184.92 1c55 h GLU 15 N 0.30 0.92 0.00 0.20 4.81 -1.86 0.10 114.58 119.05 1c55 h GLU 15 Ca 0.72 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1c55 h GLU 15 Cb 1.62 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1c55 h GLU 15 CO -0.62 0.61 -0.86 0.00 -0.73 0.00 0.00 179.01 177.40 1c55 h TYR 17 N 0.00 0.46 -0.38 0.00 3.20 1.00 -2.31 116.97 118.94 1c55 h TYR 17 Ca 0.00 -0.30 0.04 0.00 3.14 0.00 0.00 58.73 61.61 1c55 h TYR 17 Cb 0.82 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1c55 h TYR 17 CO 0.00 1.18 0.15 -0.44 -1.64 0.00 0.00 178.16 177.41 1c55 h ASP 18 N -0.39 0.18 0.23 -2.11 5.19 -1.15 -0.30 116.42 118.06 1c55 h ASP 18 Ca -0.09 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1c55 h ASP 18 Cb 1.40 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1c55 h ASP 18 CO 0.11 0.14 -0.11 1.55 -3.12 0.00 0.00 179.24 177.81 1c55 h PRO 19 N 0.31 -0.29 -0.96 3.56 0.13 -1.69 -1.46 132.00 131.61 1c55 h PRO 19 Ca 0.17 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.45 1c55 h PRO 19 Cb 0.14 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.25 1c55 h PRO 19 CO -0.16 0.09 0.61 0.00 -0.23 0.00 0.00 178.00 178.30 1c55 h PHE 21 N 0.87 0.00 0.00 0.00 3.57 -1.07 -1.73 116.94 118.58 1c55 h PHE 21 Ca 0.48 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.82 1c55 h PHE 21 Cb 0.59 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1c55 h PHE 21 CO -0.00 0.72 -1.42 1.17 -2.23 0.00 0.00 178.31 176.54 1c55 n LYS 22 N -3.66 0.62 -0.05 1.11 3.00 -0.08 -3.13 118.16 115.97 1c55 n LYS 22 Ca -0.01 0.21 -0.03 0.00 -0.00 0.00 0.00 58.31 58.48 1c55 n LYS 22 Cb 0.71 -1.80 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 1c55 n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c55 h ALA 23 N 1.46 0.00 0.10 3.14 0.00 0.18 -3.42 119.26 120.72 1c55 h ALA 23 Ca -0.16 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.09 1c55 h ALA 23 Cb 1.56 0.36 0.02 0.00 0.00 0.00 0.00 17.79 19.73 1c55 h ALA 23 CO 0.04 0.36 -0.94 0.74 0.00 0.00 0.00 179.25 179.45 1c55 h PHE 24 N -0.73 0.75 0.00 0.00 0.04 -1.50 -3.49 116.94 112.01 1c55 h PHE 24 Ca 0.00 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1c55 h PHE 24 Cb 0.36 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1c55 h PHE 24 CO -0.16 1.34 0.00 0.41 -0.60 0.00 0.00 178.31 179.30 1c55 n GLY 25 N 1.40 2.67 3.91 -1.45 0.00 -0.88 -5.03 105.19 105.81 1c55 n GLY 25 Ca -0.13 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 3.56 -1.07 1.61 0.52 -1.26 -4.51 118.95 117.80 1c55 s ARG 26 Ca 0.00 -0.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.83 1c55 s ARG 26 Cb 0.00 -2.87 0.16 0.00 0.52 0.00 0.00 34.95 32.76 1c55 s ARG 26 CO 0.00 0.46 1.27 0.00 0.02 0.00 0.00 175.30 177.05 1c55 s ALA 27 N -1.71 3.72 -0.37 2.13 0.00 -1.26 -3.96 121.76 120.31 1c55 s ALA 27 Ca 0.39 -3.09 0.03 0.00 0.00 0.00 0.00 51.96 49.29 1c55 s ALA 27 Cb -0.12 -4.07 0.16 0.00 0.00 0.00 0.00 23.12 19.09 1c55 s ALA 27 CO 0.27 -2.85 0.38 -1.58 0.00 0.00 0.00 175.76 171.98 1c55 s HIS 28 N 2.01 -0.34 0.21 0.00 5.04 -1.26 -5.00 115.29 115.95 1c55 s HIS 28 Ca 0.37 -0.78 -0.01 0.00 -1.54 0.00 0.00 55.06 53.10 1c55 s HIS 28 Cb -0.04 -0.39 0.00 0.00 0.04 0.00 0.00 32.58 32.19 1c55 s HIS 28 CO -0.05 -0.97 0.28 0.41 -2.34 0.00 0.00 174.74 172.07 1c55 n GLY 29 N 4.27 2.59 3.28 1.59 0.00 -1.26 -2.13 105.19 113.53 1c55 n GLY 29 Ca 0.11 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 1c55 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c55 s LYS 30 N -2.50 1.62 -0.57 1.61 2.47 -0.16 -4.91 119.74 117.29 1c55 s LYS 30 Ca 0.18 -1.92 -0.12 0.00 -1.56 0.00 0.00 55.97 52.54 1c55 s LYS 30 Cb -0.00 0.21 0.15 0.00 -1.46 0.00 0.00 37.83 36.72 1c55 s LYS 30 CO 0.13 -0.55 0.49 0.00 0.16 0.00 0.00 175.35 175.57 1c55 s MET 32 N 1.12 2.79 -1.42 0.00 -1.94 0.22 -4.51 119.30 115.56 1c55 s MET 32 Ca 0.08 -0.52 -0.06 0.00 -1.71 0.00 0.00 55.69 53.48 1c55 s MET 32 Cb -0.24 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.00 1c55 s MET 32 CO -0.01 0.67 0.47 0.09 -0.01 0.00 0.00 175.02 176.23 1c55 n ASN 33 N 2.20 -5.01 0.00 3.03 5.03 -1.26 0.32 115.26 119.57 1c55 n ASN 33 Ca -0.18 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.01 1c55 n ASN 33 Cb 0.53 -4.10 0.00 0.00 -1.02 0.00 0.00 39.78 35.19 1c55 n ASN 33 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1c55 n ASN 34 N -2.34 -1.16 -4.28 6.41 4.13 -1.26 -4.97 115.26 111.80 1c55 n ASN 34 Ca -0.09 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.87 1c55 n ASN 34 Cb 0.59 -1.36 -0.16 0.00 -1.54 0.00 0.00 39.78 37.32 1c55 n ASN 34 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1c55 s LYS 35 N -0.59 2.10 -0.18 3.52 -0.14 0.15 -1.18 119.74 123.42 1c55 s LYS 35 Ca 0.00 -0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 53.44 1c55 s LYS 35 Cb 0.00 -1.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.16 1c55 s LYS 35 CO 0.00 0.49 1.56 0.00 -0.76 0.00 0.00 175.35 176.64 1c55 s ARG 37 N 4.36 2.79 0.12 0.00 3.52 0.61 -2.15 118.95 128.20 1c55 s ARG 37 Ca 0.69 -1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1c55 s ARG 37 Cb -0.26 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.27 1c55 s ARG 37 CO 0.27 -0.80 1.07 0.00 -0.81 0.00 0.00 175.30 175.03 1c55 s TYR 39 N 0.19 1.09 0.00 0.00 1.13 -0.91 -4.45 117.35 114.41 1c55 s TYR 39 Ca 0.51 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1c55 s TYR 39 Cb -0.27 -0.61 0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1c55 s TYR 39 CO 0.32 -0.43 0.20 0.25 -2.51 0.00 0.00 175.55 173.38