#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zue n PHE 3 N 0.00 0.00 -2.45 1.39 7.35 -1.26 -5.09 117.46 117.40 1zue n PHE 3 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 1zue n PHE 3 Cb 0.00 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.47 1zue n PHE 3 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1zue n PHE 4 N -3.25 3.41 -1.19 -5.13 -1.74 -1.26 -4.82 117.46 103.49 1zue n PHE 4 Ca -0.19 -3.09 -0.28 0.00 -0.56 0.00 0.00 57.45 53.34 1zue n PHE 4 Cb 0.65 -0.37 0.06 0.00 1.52 0.00 0.00 39.48 41.34 1zue n PHE 4 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1zue n GLU 5 N -0.44 2.35 -4.04 3.97 2.13 -1.26 -4.91 120.64 118.44 1zue n GLU 5 Ca 0.41 -2.63 -0.10 0.00 0.66 0.00 0.00 57.16 55.50 1zue n GLU 5 Cb 0.53 -2.03 -0.06 0.00 0.27 0.00 0.00 31.44 30.15 1zue n GLU 5 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1zue s MET 6 N -3.04 1.50 0.41 5.31 -1.94 -1.26 -4.69 119.30 115.59 1zue s MET 6 Ca 0.52 -1.34 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1zue s MET 6 Cb 0.40 0.43 -0.01 0.00 2.01 0.00 0.00 34.83 37.67 1zue s MET 6 CO -0.02 -0.61 0.05 1.04 -0.01 0.00 0.00 175.02 175.47 1zue n GLN 7 N -0.37 0.80 -3.31 2.03 1.13 -1.04 -4.84 117.38 111.78 1zue n GLN 7 Ca -0.01 -3.14 -0.38 0.00 -1.94 0.00 0.00 57.00 51.52 1zue n GLN 7 Cb 0.63 1.20 -0.06 0.00 0.11 0.00 0.00 30.24 32.11 1zue n GLN 7 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zue s ALA 8 N -2.85 3.59 0.57 -1.58 0.00 -1.26 -1.77 121.76 118.45 1zue s ALA 8 Ca 0.08 -0.02 0.29 0.00 0.00 0.00 0.00 51.96 52.30 1zue s ALA 8 Cb 0.00 -2.61 1.46 0.00 0.00 0.00 0.00 23.12 21.98 1zue s ALA 8 CO 0.05 0.35 1.90 0.00 0.00 0.00 0.00 175.76 178.07 1zue h TRP 10 N 0.00 0.09 -0.27 0.00 5.08 -1.89 -0.08 115.95 118.88 1zue h TRP 10 Ca 0.29 -0.06 0.06 0.00 1.08 0.00 0.00 58.89 60.25 1zue h TRP 10 Cb 1.34 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.48 1zue h TRP 10 CO 0.00 1.10 0.19 1.03 -1.28 0.00 0.00 178.44 179.48 1zue h SER 11 N 0.01 0.10 -0.42 0.11 0.87 -0.87 -0.79 113.55 112.56 1zue h SER 11 Ca -0.24 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1zue h SER 11 Cb 1.97 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1zue h SER 11 CO 0.10 0.06 0.00 1.57 -0.53 0.00 0.00 176.83 178.03 1zue n HIS 12 N -4.48 0.55 -2.92 2.24 -0.00 -1.03 -4.98 115.22 104.59 1zue n HIS 12 Ca 0.03 -0.45 -0.11 0.00 0.46 0.00 0.00 57.72 57.65 1zue n HIS 12 Cb 0.27 -0.02 0.01 0.00 -0.12 0.00 0.00 29.99 30.14 1zue n HIS 12 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1zue n SER 13 N 0.84 -7.65 -0.54 0.26 7.64 -0.30 -5.05 113.62 108.81 1zue n SER 13 Ca 0.15 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1zue n SER 13 Cb 0.47 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 1zue n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zue n GLY 14 N -0.13 5.29 2.78 0.23 0.00 -0.05 -4.94 105.19 108.37 1zue n GLY 14 Ca 0.08 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1zue n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zue s VAL 15 N -0.85 -0.06 -0.54 1.61 1.01 -0.40 -4.87 120.40 116.29 1zue s VAL 15 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.03 1zue s VAL 15 Cb 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 36.38 36.39 1zue s VAL 15 CO 0.00 0.09 0.56 0.00 0.00 0.00 0.00 175.10 175.75 1zue s ARG 17 N 2.03 3.00 0.32 0.00 0.52 -0.62 -4.82 118.95 119.38 1zue s ARG 17 Ca 0.07 -0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 1zue s ARG 17 Cb -0.26 -2.63 -0.13 0.00 0.52 0.00 0.00 34.95 32.45 1zue s ARG 17 CO 0.05 0.42 1.30 -0.40 0.02 0.00 0.00 175.30 176.70 1zue n ASP 18 N -1.04 2.69 0.30 0.23 5.75 -1.26 -1.26 116.55 121.96 1zue n ASP 18 Ca -0.08 1.19 0.20 0.00 -0.01 0.00 0.00 54.79 56.10 1zue n ASP 18 Cb 0.57 -1.46 1.08 0.00 -1.03 0.00 0.00 41.12 40.28 1zue n ASP 18 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1zue h LYS 19 N 2.86 0.00 -0.65 0.11 2.10 -1.88 -0.53 116.57 118.58 1zue h LYS 19 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1zue h LYS 19 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1zue h LYS 19 CO 0.65 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.55 1zue n SER 20 N -2.90 3.46 -4.91 7.07 2.88 -1.26 -4.92 113.62 113.04 1zue n SER 20 Ca -0.03 -2.39 -0.28 0.00 -1.33 0.00 0.00 58.87 54.85 1zue n SER 20 Cb 0.07 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 1zue n SER 20 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1zue s GLU 21 N -1.86 3.61 -0.00 -1.46 2.12 -0.21 -5.00 118.70 115.90 1zue s GLU 21 Ca 0.33 0.08 0.20 0.00 0.36 0.00 0.00 54.97 55.95 1zue s GLU 21 Cb 0.23 -2.53 -0.22 0.00 0.26 0.00 0.00 34.13 31.86 1zue s GLU 21 CO 0.14 0.05 0.85 0.54 -0.54 0.00 0.00 175.26 176.30 1zue n ARG 22 N -1.47 0.29 -3.35 4.30 5.12 -1.26 -4.61 116.66 115.68 1zue n ARG 22 Ca -0.01 -0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.63 1zue n ARG 22 Cb 0.55 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 30.31 1zue n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1zue n ASN 23 N -1.51 3.92 -3.35 0.55 2.85 -1.26 -4.98 115.26 111.48 1zue n ASN 23 Ca 0.04 -3.48 -0.12 0.00 -0.11 0.00 0.00 54.58 50.91 1zue n ASN 23 Cb 0.32 -0.67 -0.08 0.00 1.24 0.00 0.00 39.78 40.60 1zue n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1zue s LYS 25 N 2.48 3.27 0.19 0.00 1.02 -1.26 -4.92 119.74 120.53 1zue s LYS 25 Ca 0.10 -1.63 -0.33 0.00 0.02 0.00 0.00 55.97 54.14 1zue s LYS 25 Cb -0.14 -4.44 -0.13 0.00 -0.52 0.00 0.00 37.83 32.61 1zue s LYS 25 CO -0.27 -1.55 1.67 -0.35 -0.92 0.00 0.00 175.35 173.93 1zue n PRO 26 N 5.96 2.55 -3.28 -1.68 -0.04 -1.26 -1.86 135.00 135.39 1zue n PRO 26 Ca 0.02 0.92 -0.18 0.00 -0.04 0.00 0.00 63.50 64.22 1zue n PRO 26 Cb 0.45 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1zue n PRO 26 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1zue s MET 27 N 1.09 3.00 0.72 0.54 -1.94 -0.91 -4.90 119.30 116.89 1zue s MET 27 Ca 0.76 -1.11 -0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1zue s MET 27 Cb -0.57 -2.79 0.11 0.00 2.01 0.00 0.00 34.83 33.59 1zue s MET 27 CO 0.34 -0.07 1.00 0.00 -0.01 0.00 0.00 175.02 176.28 1zue s ALA 28 N -2.25 3.51 -1.40 3.03 0.00 -1.26 -4.50 121.76 118.89 1zue s ALA 28 Ca 0.49 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1zue s ALA 28 Cb -0.10 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1zue s ALA 28 CO 0.32 -1.44 0.32 0.91 0.00 0.00 0.00 175.76 175.87 1zue n TRP 29 N -2.87 -1.37 -3.64 0.00 7.02 -1.26 -4.92 117.44 110.40 1zue n TRP 29 Ca 0.13 0.41 -0.03 0.00 -1.02 0.00 0.00 57.50 56.99 1zue n TRP 29 Cb 0.60 -2.90 -0.06 0.00 -2.42 0.00 0.00 31.31 26.53 1zue n TRP 29 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1zue s THR 30 N -4.00 0.00 0.34 -0.99 -1.32 -1.26 -2.50 115.64 105.91 1zue s THR 30 Ca 0.20 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.76 1zue s THR 30 Cb -0.11 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1zue s THR 30 CO 0.98 0.00 0.29 -0.72 -2.21 0.00 0.00 174.62 172.96 1zue s TYR 31 N -0.44 1.79 0.50 9.09 1.13 -0.73 -4.82 117.35 123.88 1zue s TYR 31 Ca 0.07 -1.68 0.03 0.00 -1.41 0.00 0.00 57.07 54.09 1zue s TYR 31 Cb -0.03 -0.71 -0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1zue s TYR 31 CO -0.11 -0.90 0.10 0.00 -2.51 0.00 0.00 175.55 172.13 1zue h GLU 33 N 1.27 0.38 -6.28 0.00 4.81 -2.01 -3.46 114.58 109.29 1zue h GLU 33 Ca -0.42 -0.64 -0.56 0.00 -0.13 0.00 0.00 59.36 57.60 1zue h GLU 33 Cb 1.30 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.88 1zue h GLU 33 CO 0.71 1.29 -0.14 1.21 -0.73 0.00 0.00 179.01 181.34 1zue s ASN 34 N -7.28 6.73 -0.14 1.04 3.84 -1.26 -4.98 114.94 112.90 1zue s ASN 34 Ca -0.08 0.96 0.07 0.00 0.21 0.00 0.00 52.86 54.01 1zue s ASN 34 Cb 0.06 -2.24 0.42 0.00 -0.55 0.00 0.00 41.25 38.93 1zue s ASN 34 CO 0.89 0.09 1.18 0.54 -2.79 0.00 0.00 177.10 177.02 1zue n ARG 35 N 0.66 2.87 0.00 0.43 5.12 -1.26 -3.76 116.66 120.72 1zue n ARG 35 Ca -0.05 -1.62 0.00 0.00 -1.93 0.00 0.00 57.85 54.25 1zue n ARG 35 Cb 0.52 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1zue n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1zue n ASN 36 N 0.24 3.64 -4.95 0.55 5.15 -1.26 -5.06 115.26 113.57 1zue n ASN 36 Ca 0.16 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.89 1zue n ASN 36 Cb 0.79 0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 40.68 1zue n ASN 36 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1zue s GLN 37 N -1.50 3.44 -0.02 1.20 0.74 -1.25 -3.02 119.66 119.26 1zue s GLN 37 Ca 0.00 -0.61 0.05 0.00 0.05 0.00 0.00 55.36 54.85 1zue s GLN 37 Cb 0.00 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 1zue s GLN 37 CO 0.00 0.50 -0.16 0.15 -0.55 0.00 0.00 175.29 175.24 1zue s LYS 38 N -3.34 2.36 -0.59 1.67 1.02 -0.39 -4.80 119.74 115.67 1zue s LYS 38 Ca 0.35 -0.79 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 1zue s LYS 38 Cb -0.11 -2.30 0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1zue s LYS 38 CO 0.29 0.59 0.76 0.00 -0.92 0.00 0.00 175.35 176.07 1zue h GLU 41 N 1.22 0.17 0.00 0.00 4.22 -1.65 -1.06 114.58 117.48 1zue h GLU 41 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1zue h GLU 41 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1zue h GLU 41 CO 0.58 0.11 0.00 2.48 -2.18 0.00 0.00 179.01 180.00