#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zue h PHE 3 N 0.00 -0.17 -2.07 4.28 0.04 -2.09 -3.42 116.94 113.50 1zue h PHE 3 Ca 0.00 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1zue h PHE 3 Cb 0.00 0.06 -0.40 0.00 2.20 0.00 0.00 35.95 37.81 1zue h PHE 3 CO 0.00 -0.11 -0.93 1.19 -0.60 0.00 0.00 178.31 177.86 1zue n PHE 4 N -2.73 1.18 -3.41 -0.55 3.01 -1.26 -5.02 117.46 108.69 1zue n PHE 4 Ca -0.02 -3.80 -0.18 0.00 1.01 0.00 0.00 57.45 54.46 1zue n PHE 4 Cb 0.07 -0.43 -0.10 0.00 -0.01 0.00 0.00 39.48 39.02 1zue n PHE 4 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1zue s GLU 5 N -1.84 0.34 0.64 -1.08 2.56 -1.26 -5.13 118.70 112.93 1zue s GLU 5 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.11 1zue s GLU 5 Cb 0.19 -0.70 0.00 0.00 2.00 0.00 0.00 34.13 35.61 1zue s GLU 5 CO -0.08 -1.05 0.00 -1.33 -0.56 0.00 0.00 175.26 172.25 1zue n MET 6 N 5.20 -0.43 -2.12 4.30 2.81 -1.26 -5.00 117.12 120.62 1zue n MET 6 Ca -0.01 0.28 -0.04 0.00 -1.81 0.00 0.00 57.70 56.13 1zue n MET 6 Cb 0.46 -0.52 -0.01 0.00 -0.71 0.00 0.00 33.22 32.44 1zue n MET 6 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1zue n GLN 7 N -1.30 0.19 -3.44 0.03 6.02 -1.03 -4.82 117.38 113.03 1zue n GLN 7 Ca 0.00 -0.69 -0.35 0.00 -0.01 0.00 0.00 57.00 55.95 1zue n GLN 7 Cb 0.10 0.68 -0.06 0.00 1.02 0.00 0.00 30.24 31.98 1zue n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1zue s ALA 8 N -1.81 3.64 0.33 -1.58 0.00 -1.26 -1.17 121.76 119.91 1zue s ALA 8 Ca 0.07 -0.21 0.27 0.00 0.00 0.00 0.00 51.96 52.09 1zue s ALA 8 Cb -0.00 -2.43 1.34 0.00 0.00 0.00 0.00 23.12 22.02 1zue s ALA 8 CO 0.05 0.49 2.01 0.00 0.00 0.00 0.00 175.76 178.31 1zue h TRP 10 N 0.00 0.67 -0.32 0.00 5.08 -1.91 0.01 115.95 119.48 1zue h TRP 10 Ca -0.00 -0.49 0.09 0.00 1.08 0.00 0.00 58.89 59.57 1zue h TRP 10 Cb 0.44 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 1zue h TRP 10 CO 0.00 1.58 0.24 1.03 -1.28 0.00 0.00 178.44 180.01 1zue h SER 11 N 0.10 0.00 0.00 0.11 0.87 -1.91 -1.00 113.55 111.72 1zue h SER 11 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1zue h SER 11 Cb 2.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1zue h SER 11 CO 0.18 0.00 -0.90 1.57 -0.53 0.00 0.00 176.83 177.16 1zue n HIS 12 N -4.33 0.00 -2.07 2.24 -0.00 -1.16 -5.04 115.22 104.86 1zue n HIS 12 Ca 0.05 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.21 1zue n HIS 12 Cb 0.41 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 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 -1.48 -4.69 0.00 0.26 7.64 -0.38 -5.10 113.62 109.87 1zue n SER 13 Ca 0.02 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1zue n SER 13 Cb 0.28 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 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 -0.05 5.38 3.09 0.23 0.00 -0.09 -4.98 105.19 108.77 1zue n GLY 14 Ca 0.03 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 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 0.31 0.22 -0.34 1.61 1.01 -0.52 -4.93 120.40 117.76 1zue s VAL 15 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 1zue s VAL 15 Cb 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.95 1zue s VAL 15 CO 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 175.10 174.17 1zue s ARG 17 N 1.15 2.41 0.24 0.00 1.81 -0.80 -4.88 118.95 118.88 1zue s ARG 17 Ca 0.01 -1.32 -0.31 0.00 -1.72 0.00 0.00 55.73 52.39 1zue s ARG 17 Cb -0.21 -2.25 -0.12 0.00 -0.45 0.00 0.00 34.95 31.92 1zue s ARG 17 CO -0.03 0.38 1.63 -3.47 -0.68 0.00 0.00 175.30 173.12 1zue n ASP 18 N -0.84 3.70 0.25 0.23 -0.08 -1.26 -1.46 116.55 117.08 1zue n ASP 18 Ca -0.07 1.10 0.18 0.00 -1.51 0.00 0.00 54.79 54.49 1zue n ASP 18 Cb 0.58 -1.55 0.87 0.00 2.34 0.00 0.00 41.12 43.36 1zue n ASP 18 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1zue h LYS 19 N 5.69 0.00 -0.80 -0.67 2.10 -1.88 0.19 116.57 121.19 1zue h LYS 19 Ca -0.45 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.07 1zue h LYS 19 Cb 1.22 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.47 1zue h LYS 19 CO 0.87 0.00 0.17 0.45 -2.00 0.00 0.00 179.45 178.94 1zue n SER 20 N -3.37 4.17 -4.73 7.07 2.88 -1.26 -4.92 113.62 113.47 1zue n SER 20 Ca 0.01 -2.86 -0.39 0.00 -1.33 0.00 0.00 58.87 54.29 1zue n SER 20 Cb 0.36 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 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 -2.34 4.41 0.16 -1.46 2.12 0.66 -4.95 118.70 117.30 1zue s GLU 21 Ca 0.41 0.83 0.27 0.00 0.36 0.00 0.00 54.97 56.83 1zue s GLU 21 Cb 0.32 -3.42 0.85 0.00 0.26 0.00 0.00 34.13 32.15 1zue s GLU 21 CO 0.10 0.16 1.76 0.54 -0.54 0.00 0.00 175.26 177.29 1zue n ARG 22 N 3.45 0.21 -3.35 4.30 1.74 -1.26 -4.16 116.66 117.58 1zue n ARG 22 Ca -0.03 0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1zue n ARG 22 Cb 0.51 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 1zue n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1zue n ASN 23 N -2.09 3.90 -3.78 0.55 2.85 -1.26 -5.03 115.26 110.40 1zue n ASN 23 Ca 0.06 -3.48 -0.17 0.00 -0.11 0.00 0.00 54.58 50.87 1zue n ASN 23 Cb 0.41 -0.66 -0.16 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 1.24 3.07 0.61 0.00 1.02 -1.26 -5.06 119.74 119.37 1zue s LYS 25 Ca -0.07 -3.32 -0.18 0.00 0.02 0.00 0.00 55.97 52.42 1zue s LYS 25 Cb -0.13 -3.82 -0.11 0.00 -0.52 0.00 0.00 37.83 33.25 1zue s LYS 25 CO -0.02 -1.27 0.12 -2.30 -0.92 0.00 0.00 175.35 170.95 1zue n PRO 26 N 2.19 0.20 -3.02 -1.68 -0.02 -1.26 -1.84 135.00 129.57 1zue n PRO 26 Ca 0.21 0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.58 1zue n PRO 26 Cb 0.36 -1.36 0.06 0.00 -0.02 0.00 0.00 33.50 32.55 1zue n PRO 26 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1zue s MET 27 N -1.75 2.32 -0.10 -0.52 -1.94 -0.83 -4.66 119.30 111.83 1zue s MET 27 Ca 0.60 -1.60 -0.20 0.00 -1.71 0.00 0.00 55.69 52.79 1zue s MET 27 Cb -0.42 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1zue s MET 27 CO 0.63 -0.84 0.55 0.00 -0.01 0.00 0.00 175.02 175.35 1zue s ALA 28 N -2.66 3.43 -0.48 3.03 0.00 -1.26 -4.54 121.76 119.28 1zue s ALA 28 Ca 0.62 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 1zue s ALA 28 Cb -0.06 -2.74 0.04 0.00 0.00 0.00 0.00 23.12 20.36 1zue s ALA 28 CO 0.39 -0.02 0.64 0.91 0.00 0.00 0.00 175.76 177.68 1zue n TRP 29 N 3.65 -2.94 -3.60 0.00 7.02 -1.26 -4.89 117.44 115.41 1zue n TRP 29 Ca -0.05 1.21 -0.11 0.00 -1.02 0.00 0.00 57.50 57.53 1zue n TRP 29 Cb 0.51 -2.70 -0.06 0.00 -2.42 0.00 0.00 31.31 26.64 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 -2.00 0.00 0.27 -0.99 -1.32 -1.26 -2.47 115.64 107.87 1zue s THR 30 Ca 0.30 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.84 1zue s THR 30 Cb -0.05 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 1zue s THR 30 CO 0.84 0.00 -0.03 -0.72 -2.21 0.00 0.00 174.62 172.50 1zue s TYR 31 N -0.41 1.84 0.52 9.09 -0.85 -0.32 -4.69 117.35 122.53 1zue s TYR 31 Ca -0.00 -0.79 0.08 0.00 -0.52 0.00 0.00 57.07 55.83 1zue s TYR 31 Cb -0.03 -1.08 0.05 0.00 0.38 0.00 0.00 41.96 41.28 1zue s TYR 31 CO -0.01 0.16 0.57 0.00 -1.52 0.00 0.00 175.55 174.75 1zue h GLU 33 N 0.55 0.21 -6.53 0.00 4.81 -1.97 -3.45 114.58 108.20 1zue h GLU 33 Ca -0.35 -0.26 -0.52 0.00 -0.13 0.00 0.00 59.36 58.10 1zue h GLU 33 Cb 1.29 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1zue h GLU 33 CO 0.49 1.02 -0.07 1.21 -0.73 0.00 0.00 179.01 180.94 1zue s ASN 34 N -6.96 6.60 -0.01 1.04 2.47 -1.26 -4.98 114.94 111.85 1zue s ASN 34 Ca -0.03 0.95 0.06 0.00 0.42 0.00 0.00 52.86 54.27 1zue s ASN 34 Cb 0.09 -2.24 0.19 0.00 -1.45 0.00 0.00 41.25 37.85 1zue s ASN 34 CO 0.84 -0.14 1.13 0.54 -3.72 0.00 0.00 177.10 175.75 1zue n ARG 35 N -0.42 1.55 -0.16 0.43 3.00 -1.26 -3.51 116.66 116.29 1zue n ARG 35 Ca 0.01 -0.78 0.00 0.00 -0.01 0.00 0.00 57.85 57.07 1zue n ARG 35 Cb 0.53 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.78 1zue n ARG 35 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1zue n ASN 36 N 0.13 0.17 -4.57 0.55 4.05 -1.26 -5.09 115.26 109.23 1zue n ASN 36 Ca 0.07 -1.43 -0.25 0.00 0.45 0.00 0.00 54.58 53.42 1zue n ASN 36 Cb 0.21 -0.08 -0.10 0.00 1.23 0.00 0.00 39.78 41.05 1zue n ASN 36 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1zue s GLN 37 N -0.13 1.92 0.08 1.20 0.74 -1.23 -3.35 119.66 118.89 1zue s GLN 37 Ca 0.01 -1.82 0.09 0.00 0.05 0.00 0.00 55.36 53.69 1zue s GLN 37 Cb 0.01 -1.82 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 1zue s GLN 37 CO 0.00 0.17 -0.25 -1.59 -0.55 0.00 0.00 175.29 173.08 1zue s LYS 38 N -3.64 1.47 -0.67 1.67 -2.85 -0.54 -4.58 119.74 110.61 1zue s LYS 38 Ca 0.33 -1.17 -0.19 0.00 -1.00 0.00 0.00 55.97 53.93 1zue s LYS 38 Cb 0.00 -1.77 0.11 0.00 -2.06 0.00 0.00 37.83 34.12 1zue s LYS 38 CO 0.18 0.43 0.81 0.00 0.10 0.00 0.00 175.35 176.87 1zue h GLU 41 N 1.04 -0.34 -0.01 0.00 4.22 -1.63 -1.39 114.58 116.48 1zue h GLU 41 Ca -0.50 0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1zue h GLU 41 Cb 1.24 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1zue h GLU 41 CO 0.59 -0.22 0.00 0.98 -2.18 0.00 0.00 179.01 178.17