#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 -0.01 -2.04 4.28 3.72 -1.26 -4.28 117.46 117.87 1zue n PHE 3 Ca 0.00 0.02 -0.05 0.00 -0.05 0.00 0.00 57.45 57.38 1zue n PHE 3 Cb 0.00 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.32 1zue n PHE 3 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1zue n PHE 4 N -2.77 -0.35 -2.74 1.38 3.72 -1.26 -5.07 117.46 110.38 1zue n PHE 4 Ca 0.00 -0.58 -0.04 0.00 -0.05 0.00 0.00 57.45 56.78 1zue n PHE 4 Cb 0.00 0.63 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1zue n PHE 4 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1zue n GLU 5 N -0.26 -2.92 -3.03 -1.08 2.13 -1.26 -4.96 120.64 109.26 1zue n GLU 5 Ca -0.20 2.44 -0.24 0.00 0.66 0.00 0.00 57.16 59.82 1zue n GLU 5 Cb 0.64 -5.41 0.00 0.00 0.27 0.00 0.00 31.44 26.94 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 -2.03 3.30 0.25 5.31 -1.94 -1.26 -4.83 119.30 118.10 1zue s MET 6 Ca 0.11 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 53.84 1zue s MET 6 Cb -0.03 -2.54 0.02 0.00 2.01 0.00 0.00 34.83 34.28 1zue s MET 6 CO 0.76 -0.13 0.15 1.04 -0.01 0.00 0.00 175.02 176.83 1zue n GLN 7 N -2.04 1.17 -3.08 2.03 6.02 -0.87 -4.81 117.38 115.81 1zue n GLN 7 Ca -0.01 -1.62 -0.39 0.00 -0.01 0.00 0.00 57.00 54.97 1zue n GLN 7 Cb 0.57 0.23 -0.05 0.00 1.02 0.00 0.00 30.24 32.00 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 -2.37 3.40 0.47 -1.58 0.00 -1.26 -1.87 121.76 118.54 1zue s ALA 8 Ca 0.12 0.15 0.15 0.00 0.00 0.00 0.00 51.96 52.38 1zue s ALA 8 Cb -0.01 -2.90 1.11 0.00 0.00 0.00 0.00 23.12 21.33 1zue s ALA 8 CO 0.07 0.05 2.05 0.00 0.00 0.00 0.00 175.76 177.93 1zue h TRP 10 N 0.27 0.00 -0.92 0.00 5.08 -1.91 0.16 115.95 118.63 1zue h TRP 10 Ca 0.17 0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.23 1zue h TRP 10 Cb 0.33 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.42 1zue h TRP 10 CO -0.00 0.72 0.59 1.03 -1.28 0.00 0.00 178.44 179.50 1zue h SER 11 N 0.00 0.85 -0.36 0.11 0.87 -1.41 -1.75 113.55 111.86 1zue h SER 11 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1zue h SER 11 Cb 1.47 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1zue h SER 11 CO 0.09 0.51 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1zue n HIS 12 N -4.53 0.73 -2.92 2.24 1.44 -1.20 -5.03 115.22 105.96 1zue n HIS 12 Ca 0.15 -0.63 -0.09 0.00 -2.01 0.00 0.00 57.72 55.15 1zue n HIS 12 Cb 0.29 -0.14 0.01 0.00 0.12 0.00 0.00 29.99 30.27 1zue n HIS 12 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1zue n SER 13 N 0.30 -7.57 0.00 4.39 7.64 -0.66 -5.05 113.62 112.66 1zue n SER 13 Ca 0.16 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1zue n SER 13 Cb 0.62 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 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 0.19 7.21 2.87 0.23 0.00 0.01 -4.99 105.19 110.72 1zue n GLY 14 Ca 0.04 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 0.95 -0.00 -0.58 1.61 1.01 -0.45 -4.93 120.40 118.01 1zue s VAL 15 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1zue s VAL 15 Cb 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 36.38 36.49 1zue s VAL 15 CO 0.00 0.01 0.56 0.00 0.00 0.00 0.00 175.10 175.66 1zue s ARG 17 N 1.55 1.75 0.27 0.00 1.81 -0.80 -4.88 118.95 118.64 1zue s ARG 17 Ca 0.06 -1.83 -0.31 0.00 -1.72 0.00 0.00 55.73 51.93 1zue s ARG 17 Cb -0.27 -1.76 -0.12 0.00 -0.45 0.00 0.00 34.95 32.36 1zue s ARG 17 CO 0.02 0.26 1.60 -0.25 -0.68 0.00 0.00 175.30 176.24 1zue n ASP 18 N -0.70 3.74 0.31 0.23 9.92 -1.26 -0.95 116.55 127.84 1zue n ASP 18 Ca -0.05 1.13 0.19 0.00 -0.53 0.00 0.00 54.79 55.53 1zue n ASP 18 Cb 0.61 -1.57 1.02 0.00 -0.64 0.00 0.00 41.12 40.55 1zue n ASP 18 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1zue h LYS 19 N 5.15 0.00 -0.73 -1.24 2.10 -1.92 0.11 116.57 120.04 1zue h LYS 19 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1zue h LYS 19 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1zue h LYS 19 CO 0.82 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.72 1zue n SER 20 N -3.26 3.87 -4.73 7.07 2.88 -1.26 -4.90 113.62 113.30 1zue n SER 20 Ca -0.02 -2.55 -0.39 0.00 -1.33 0.00 0.00 58.87 54.58 1zue n SER 20 Cb 0.20 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.06 4.41 0.00 -1.46 2.12 0.37 -4.95 118.70 117.13 1zue s GLU 21 Ca 0.34 0.82 0.26 0.00 0.36 0.00 0.00 54.97 56.75 1zue s GLU 21 Cb 0.25 -3.42 0.68 0.00 0.26 0.00 0.00 34.13 31.90 1zue s GLU 21 CO 0.10 0.14 1.52 0.54 -0.54 0.00 0.00 175.26 177.02 1zue n ARG 22 N 3.52 0.85 -2.59 4.30 5.12 -1.26 -4.28 116.66 122.31 1zue n ARG 22 Ca -0.03 -0.52 -0.30 0.00 -1.93 0.00 0.00 57.85 55.07 1zue n ARG 22 Cb 0.51 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 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 -0.62 5.20 -3.75 0.55 5.15 -1.26 -5.01 115.26 115.51 1zue n ASN 23 Ca 0.12 -3.72 -0.12 0.00 -0.60 0.00 0.00 54.58 50.26 1zue n ASN 23 Cb 0.36 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.90 1zue n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zue s LYS 25 N -2.22 2.64 -0.29 0.00 2.47 -1.26 -4.99 119.74 116.08 1zue s LYS 25 Ca -0.07 -2.73 -0.36 0.00 -1.56 0.00 0.00 55.97 51.25 1zue s LYS 25 Cb -0.02 -3.72 -0.12 0.00 -1.46 0.00 0.00 37.83 32.51 1zue s LYS 25 CO -0.01 -1.19 2.07 -2.30 0.16 0.00 0.00 175.35 174.07 1zue n PRO 26 N 3.15 1.29 -3.88 4.03 -0.02 -1.26 -1.91 135.00 136.39 1zue n PRO 26 Ca 0.11 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1zue n PRO 26 Cb 0.37 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 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 5.43 3.91 0.00 -0.52 -1.94 -0.81 -4.95 119.30 120.41 1zue s MET 27 Ca 1.05 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 1zue s MET 27 Cb -0.85 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 32.68 1zue s MET 27 CO 0.52 0.10 0.00 0.00 -0.01 0.00 0.00 175.02 175.63 1zue n ALA 28 N 4.07 0.00 -3.96 3.03 0.00 -1.26 -4.25 120.51 118.14 1zue n ALA 28 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1zue n ALA 28 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1zue n ALA 28 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1zue n TRP 29 N -1.73 -1.66 -3.64 0.00 5.03 -1.26 -4.87 117.44 109.31 1zue n TRP 29 Ca 0.00 0.64 -0.03 0.00 3.03 0.00 0.00 57.50 61.14 1zue n TRP 29 Cb 0.00 -2.59 -0.05 0.00 -1.03 0.00 0.00 31.31 27.63 1zue n TRP 29 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1zue s THR 30 N -3.10 0.00 0.18 -0.99 -1.32 -1.26 -2.06 115.64 107.10 1zue s THR 30 Ca 0.63 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 1zue s THR 30 Cb -0.35 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1zue s THR 30 CO 0.78 0.00 0.07 -0.72 -2.21 0.00 0.00 174.62 172.53 1zue s TYR 31 N -0.63 1.13 0.24 9.09 -0.85 -0.78 -4.75 117.35 120.80 1zue s TYR 31 Ca 0.07 -1.20 0.07 0.00 -0.52 0.00 0.00 57.07 55.49 1zue s TYR 31 Cb -0.02 -0.62 -0.04 0.00 0.38 0.00 0.00 41.96 41.66 1zue s TYR 31 CO -0.10 -0.44 0.17 0.00 -1.52 0.00 0.00 175.55 173.66 1zue h GLU 33 N 1.66 0.12 -6.37 0.00 4.81 -1.99 -3.41 114.58 109.41 1zue h GLU 33 Ca -0.48 -0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.19 1zue h GLU 33 Cb 1.23 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1zue h GLU 33 CO 0.61 0.08 -0.08 1.21 -0.73 0.00 0.00 179.01 180.10 1zue s ASN 34 N -6.10 6.78 -0.02 1.04 3.84 -1.26 -4.98 114.94 114.24 1zue s ASN 34 Ca -0.06 1.06 0.11 0.00 0.21 0.00 0.00 52.86 54.18 1zue s ASN 34 Cb 0.20 -2.28 0.35 0.00 -0.55 0.00 0.00 41.25 38.97 1zue s ASN 34 CO 0.74 0.05 1.25 -1.14 -2.79 0.00 0.00 177.10 175.21 1zue n ARG 35 N 0.55 2.10 0.00 0.43 0.63 -1.26 -3.74 116.66 115.37 1zue n ARG 35 Ca -0.04 -1.41 0.00 0.00 -0.92 0.00 0.00 57.85 55.49 1zue n ARG 35 Cb 0.52 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.01 1zue n ARG 35 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1zue n ASN 36 N 0.55 0.93 -4.74 6.15 2.85 -1.26 -5.05 115.26 114.69 1zue n ASN 36 Ca 0.13 -0.21 -0.34 0.00 -0.11 0.00 0.00 54.58 54.05 1zue n ASN 36 Cb 0.40 0.61 -0.08 0.00 1.24 0.00 0.00 39.78 41.95 1zue n ASN 36 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1zue s GLN 37 N -0.80 3.01 0.31 1.20 0.74 -1.25 -3.61 119.66 119.27 1zue s GLN 37 Ca 0.00 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 55.01 1zue s GLN 37 Cb 0.00 -2.82 -0.01 0.00 1.10 0.00 0.00 33.01 31.27 1zue s GLN 37 CO 0.00 0.67 0.44 -1.59 -0.55 0.00 0.00 175.29 174.27 1zue s LYS 38 N -1.36 3.20 -0.64 1.67 -2.85 -0.12 -4.39 119.74 115.25 1zue s LYS 38 Ca 0.18 -0.94 -0.07 0.00 -1.00 0.00 0.00 55.97 54.14 1zue s LYS 38 Cb -0.12 -2.84 0.17 0.00 -2.06 0.00 0.00 37.83 32.98 1zue s LYS 38 CO 0.08 0.15 0.50 0.00 0.10 0.00 0.00 175.35 176.18 1zue h GLU 41 N 0.98 -0.25 0.00 0.00 4.81 -1.70 -1.19 114.58 117.22 1zue h GLU 41 Ca -0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1zue h GLU 41 Cb 1.25 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1zue h GLU 41 CO 0.55 -0.17 0.00 2.48 -0.73 0.00 0.00 179.01 181.15