#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zad s LYS 2 N 0.00 2.87 0.05 3.23 1.02 -1.26 0.62 119.74 126.27 1zad s LYS 2 Ca 0.00 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.01 1zad s LYS 2 Cb 0.00 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1zad s LYS 2 CO 0.00 -0.59 -0.06 0.00 -0.92 0.00 0.00 175.35 173.78 1zad s ASN 4 N -1.85 6.10 0.18 0.00 0.01 -1.26 -1.53 114.94 116.59 1zad s ASN 4 Ca 0.20 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1zad s ASN 4 Cb -0.11 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1zad s ASN 4 CO 0.12 -0.31 0.00 0.29 -1.51 0.00 0.00 177.10 175.69 1zad n LYS 5 N -1.57 1.37 -0.02 -0.60 4.01 -0.76 -4.59 118.16 116.01 1zad n LYS 5 Ca -0.03 0.00 0.24 0.00 -0.51 0.00 0.00 58.31 58.00 1zad n LYS 5 Cb 0.58 0.00 0.67 0.00 -0.51 0.00 0.00 35.03 35.77 1zad n LYS 5 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1zad h LEU 6 N 0.00 0.00 -8.52 -0.35 6.46 -1.90 -3.35 115.31 107.65 1zad h LEU 6 Ca 0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 1zad h LEU 6 Cb 0.00 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 39.66 1zad h LEU 6 CO 0.00 0.00 -0.76 -0.69 -0.62 0.00 0.00 178.44 176.37 1zad s VAL 7 N -4.59 3.09 0.00 1.05 1.01 -1.26 -5.00 120.40 114.69 1zad s VAL 7 Ca -0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1zad s VAL 7 Cb 0.16 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1zad s VAL 7 CO 0.55 0.50 0.53 -2.65 0.00 0.00 0.00 175.10 174.03 1zad n PRO 8 N 3.94 0.06 0.00 2.72 -0.02 -1.26 -3.37 135.00 137.08 1zad n PRO 8 Ca -0.18 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1zad n PRO 8 Cb 0.52 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1zad n PRO 8 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1zad n ILE 9 N 2.85 0.00 -4.35 4.25 0.13 -1.26 -5.05 119.36 115.92 1zad n ILE 9 Ca 0.01 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.32 1zad n ILE 9 Cb 0.03 -0.65 -0.12 0.00 -0.84 0.00 0.00 39.64 38.06 1zad n ILE 9 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1zad s ALA 10 N -1.78 3.02 0.01 1.51 0.00 -1.22 -5.07 121.76 118.23 1zad s ALA 10 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1zad s ALA 10 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.55 1zad s ALA 10 CO 0.00 0.17 0.29 1.52 0.00 0.00 0.00 175.76 177.75 1zad s TYR 11 N 0.43 -0.13 0.15 0.00 1.13 -1.26 -1.83 117.35 115.83 1zad s TYR 11 Ca -0.03 0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.75 1zad s TYR 11 Cb -0.14 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1zad s TYR 11 CO 0.03 -0.43 0.08 0.36 -2.51 0.00 0.00 175.55 173.08 1zad n LYS 12 N 0.98 0.52 -2.91 -3.49 2.85 -0.58 -4.93 118.16 110.59 1zad n LYS 12 Ca -0.20 -1.32 -0.41 0.00 -1.05 0.00 0.00 58.31 55.33 1zad n LYS 12 Cb 0.57 0.87 -0.04 0.00 -0.65 0.00 0.00 35.03 35.79 1zad n LYS 12 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1zad s THR 13 N -2.31 4.91 -0.40 0.58 2.01 -1.26 -1.07 115.64 118.10 1zad s THR 13 Ca 0.11 1.60 -0.28 0.00 0.31 0.00 0.00 61.69 63.43 1zad s THR 13 Cb 0.01 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 1zad s THR 13 CO 0.08 0.06 1.82 0.00 -0.69 0.00 0.00 174.62 175.89 1zad n PRO 15 N 8.60 -3.26 -1.66 0.00 -0.04 -1.18 -4.32 135.00 133.14 1zad n PRO 15 Ca 0.23 -0.69 -0.47 0.00 -0.04 0.00 0.00 63.50 62.53 1zad n PRO 15 Cb 0.48 -0.91 -0.04 0.00 -0.04 0.00 0.00 33.50 32.99 1zad n PRO 15 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zad n GLU 16 N -3.71 2.04 0.00 0.54 2.13 -1.26 -1.04 120.64 119.34 1zad n GLU 16 Ca 0.06 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1zad n GLU 16 Cb 0.28 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1zad n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zad n GLY 17 N 3.43 2.99 3.19 8.31 0.00 -1.26 -4.96 105.19 116.89 1zad n GLY 17 Ca 0.18 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1zad n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zad s LYS 18 N 0.00 2.38 -0.06 1.61 1.02 -0.21 -4.23 119.74 120.26 1zad s LYS 18 Ca 0.00 -1.41 0.08 0.00 0.02 0.00 0.00 55.97 54.66 1zad s LYS 18 Cb 0.00 -3.42 0.13 0.00 -0.52 0.00 0.00 37.83 34.01 1zad s LYS 18 CO 0.00 -0.79 1.03 -1.71 -0.92 0.00 0.00 175.35 172.96 1zad n ASN 19 N 4.69 1.84 -4.28 2.83 5.15 -1.09 -3.07 115.26 121.33 1zad n ASN 19 Ca -0.10 -2.40 -0.28 0.00 -0.60 0.00 0.00 54.58 51.21 1zad n ASN 19 Cb 0.43 -0.20 -0.15 0.00 -0.53 0.00 0.00 39.78 39.33 1zad n ASN 19 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1zad s LEU 20 N -1.66 2.12 -0.09 1.20 1.43 -0.43 -4.67 118.68 116.57 1zad s LEU 20 Ca 0.14 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1zad s LEU 20 Cb 0.12 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1zad s LEU 20 CO 0.01 0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.73 1zad s TYR 22 N -0.36 0.94 -0.18 0.00 -0.85 0.15 0.20 117.35 117.24 1zad s TYR 22 Ca 0.05 -0.91 -0.04 0.00 -0.52 0.00 0.00 57.07 55.65 1zad s TYR 22 Cb -0.12 -0.53 0.09 0.00 0.38 0.00 0.00 41.96 41.77 1zad s TYR 22 CO 0.02 -0.14 0.24 -1.59 -1.52 0.00 0.00 175.55 172.56 1zad s LYS 23 N -3.83 0.18 -0.01 -3.49 -2.85 -0.07 -0.70 119.74 108.98 1zad s LYS 23 Ca 0.13 0.39 -0.21 0.00 -1.00 0.00 0.00 55.97 55.29 1zad s LYS 23 Cb 0.05 -0.78 -0.05 0.00 -2.06 0.00 0.00 37.83 34.98 1zad s LYS 23 CO -0.04 -0.53 0.60 -1.64 0.10 0.00 0.00 175.35 173.83 1zad s MET 24 N 2.36 4.32 -0.19 1.78 -1.94 0.28 -2.09 119.30 123.83 1zad s MET 24 Ca 0.06 0.73 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 1zad s MET 24 Cb -0.14 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.36 1zad s MET 24 CO -0.11 0.35 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.02 1zad s PHE 25 N -0.13 2.81 0.38 -0.03 0.40 0.47 -1.95 117.98 119.93 1zad s PHE 25 Ca 0.31 -1.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.05 1zad s PHE 25 Cb -0.18 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.33 1zad s PHE 25 CO 0.17 -0.75 0.73 1.41 0.70 0.00 0.00 175.22 177.48 1zad s MET 26 N 1.31 3.77 0.00 0.44 1.75 -1.26 0.93 119.30 126.23 1zad s MET 26 Ca 0.05 0.40 0.00 0.00 -1.25 0.00 0.00 55.69 54.89 1zad s MET 26 Cb -0.13 -2.44 0.00 0.00 2.84 0.00 0.00 34.83 35.10 1zad s MET 26 CO -0.11 0.02 0.00 -1.33 -0.65 0.00 0.00 175.02 172.95 1zad n MET 27 N -1.18 0.00 -3.83 4.11 2.81 0.72 -4.46 117.12 115.28 1zad n MET 27 Ca 0.02 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.79 1zad n MET 27 Cb 0.54 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.94 1zad n MET 27 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1zad s SER 28 N -1.19 -0.11 0.14 7.83 0.01 -1.26 -4.86 113.70 114.25 1zad s SER 28 Ca 0.00 0.13 0.21 0.00 1.31 0.00 0.00 55.95 57.60 1zad s SER 28 Cb 0.00 0.32 -0.07 0.00 0.21 0.00 0.00 66.02 66.48 1zad s SER 28 CO 0.00 -0.23 0.92 -0.90 0.41 0.00 0.00 173.24 173.45 1zad n ASP 29 N 2.20 0.77 -0.31 2.44 5.75 -1.26 -3.97 116.55 122.18 1zad n ASP 29 Ca -0.17 0.31 0.35 0.00 -0.01 0.00 0.00 54.79 55.26 1zad n ASP 29 Cb 0.57 0.50 0.64 0.00 -1.03 0.00 0.00 41.12 41.80 1zad n ASP 29 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1zad h LEU 30 N 0.00 0.00 0.00 -2.12 3.38 -1.95 -3.39 115.31 111.22 1zad h LEU 30 Ca -0.05 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.42 1zad h LEU 30 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1zad h LEU 30 CO 0.01 0.00 -0.21 0.35 0.09 0.00 0.00 178.44 178.68 1zad n THR 31 N -3.64 0.00 -1.99 0.22 -2.24 -1.25 -5.08 114.28 100.29 1zad n THR 31 Ca 0.26 -1.91 -0.39 0.00 -2.27 0.00 0.00 64.05 59.74 1zad n THR 31 Cb 1.47 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1zad n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zad s ILE 32 N -2.40 2.49 0.00 2.28 1.09 -1.26 -5.00 121.20 118.40 1zad s ILE 32 Ca 0.32 0.43 0.00 0.00 -1.10 0.00 0.00 60.65 60.30 1zad s ILE 32 Cb -0.03 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 1zad s ILE 32 CO 0.21 0.05 0.00 -0.81 -0.10 0.00 0.00 174.94 174.29 1zad n PRO 33 N -0.08 -0.56 -0.02 2.79 -0.04 -1.26 -4.93 135.00 130.91 1zad n PRO 33 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1zad n PRO 33 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.88 1zad n PRO 33 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1zad n VAL 34 N -2.00 0.18 -3.81 0.52 0.24 -0.82 -4.88 118.33 107.75 1zad n VAL 34 Ca 0.00 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1zad n VAL 34 Cb 0.00 -1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 31.18 1zad n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1zad s LYS 35 N -2.06 0.68 -0.28 7.34 1.02 -1.00 -5.03 119.74 120.41 1zad s LYS 35 Ca -0.04 -0.49 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 1zad s LYS 35 Cb 0.01 0.29 0.12 0.00 -0.52 0.00 0.00 37.83 37.74 1zad s LYS 35 CO 0.06 -0.20 0.90 -0.98 -0.92 0.00 0.00 175.35 174.21 1zad s ARG 36 N -2.18 0.51 0.00 1.68 1.70 -1.26 0.98 118.95 120.38 1zad s ARG 36 Ca -0.08 0.82 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 1zad s ARG 36 Cb -0.03 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1zad s ARG 36 CO -0.02 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1zad n GLY 37 N 3.61 3.79 3.86 3.88 0.00 0.13 -4.37 105.19 116.08 1zad n GLY 37 Ca -0.18 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1zad n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zad s ILE 39 N -2.33 0.00 -0.11 0.00 2.07 0.28 -4.83 121.20 116.28 1zad s ILE 39 Ca 0.42 -0.73 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 1zad s ILE 39 Cb -0.06 -2.47 -0.11 0.00 0.13 0.00 0.00 42.46 39.96 1zad s ILE 39 CO 0.27 0.00 -0.04 -0.67 -1.91 0.00 0.00 174.94 172.59 1zad n ASP 40 N -0.91 2.72 -3.74 4.50 2.03 -1.26 -1.32 116.55 118.57 1zad n ASP 40 Ca -0.05 -0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.07 1zad n ASP 40 Cb 0.60 0.30 -0.16 0.00 -0.72 0.00 0.00 41.12 41.15 1zad n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1zad s VAL 41 N -2.25 -0.08 -0.03 5.18 1.01 -1.26 -4.88 120.40 118.09 1zad s VAL 41 Ca -0.11 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1zad s VAL 41 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 36.20 1zad s VAL 41 CO 0.36 0.10 1.75 0.00 0.00 0.00 0.00 175.10 177.31 1zad s PRO 43 N 4.17 -1.84 0.01 0.00 0.02 -1.26 -5.00 135.00 131.11 1zad s PRO 43 Ca 0.78 0.40 -0.30 0.00 0.02 0.00 0.00 61.00 61.89 1zad s PRO 43 Cb -0.36 -1.48 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 1zad s PRO 43 CO 0.33 -4.22 1.16 0.15 -0.33 0.00 0.00 177.00 174.09 1zad s LYS 44 N -4.86 4.43 0.80 5.54 3.01 -1.26 -5.02 119.74 122.39 1zad s LYS 44 Ca 0.69 1.68 -0.12 0.00 -1.01 0.00 0.00 55.97 57.21 1zad s LYS 44 Cb -0.18 -3.43 0.07 0.00 -1.01 0.00 0.00 37.83 33.28 1zad s LYS 44 CO 0.60 -0.28 1.11 1.21 0.51 0.00 0.00 175.35 178.50 1zad s ASN 45 N 1.18 4.45 0.48 2.83 2.47 -1.26 -4.99 114.94 120.09 1zad s ASN 45 Ca 0.57 1.22 0.02 0.00 0.42 0.00 0.00 52.86 55.09 1zad s ASN 45 Cb -0.27 -1.93 -0.02 0.00 -1.45 0.00 0.00 41.25 37.59 1zad s ASN 45 CO 0.27 -1.99 0.04 -0.94 -3.72 0.00 0.00 177.10 170.77 1zad s SER 46 N -3.99 3.70 0.11 -4.21 1.04 -1.21 -5.02 113.70 104.11 1zad s SER 46 Ca 0.61 -1.66 0.19 0.00 0.48 0.00 0.00 55.95 55.58 1zad s SER 46 Cb -0.14 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.39 1zad s SER 46 CO 0.54 -0.87 0.88 -0.11 0.98 0.00 0.00 173.24 174.65 1zad n LEU 47 N -1.14 0.80 0.05 2.42 0.00 -1.26 -3.87 117.00 113.99 1zad n LEU 47 Ca -0.15 0.33 -0.02 0.00 0.00 0.00 0.00 56.01 56.18 1zad n LEU 47 Cb 0.66 0.02 -0.07 0.00 0.00 0.00 0.00 43.42 44.03 1zad n LEU 47 CO 0.37 0.01 -0.11 0.25 0.00 0.00 0.00 177.39 177.91 1zad h LEU 48 N 0.00 0.00 -9.04 -1.96 7.12 -1.94 -3.47 115.31 106.02 1zad h LEU 48 Ca -0.10 0.00 -0.47 0.00 0.13 0.00 0.00 57.88 57.44 1zad h LEU 48 Cb 1.33 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.32 1zad h LEU 48 CO 0.02 0.68 -0.69 -0.69 -0.13 0.00 0.00 178.44 177.64 1zad s VAL 49 N -2.85 1.61 -0.18 1.05 1.01 -1.25 -0.20 120.40 119.58 1zad s VAL 49 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1zad s VAL 49 Cb 0.08 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1zad s VAL 49 CO 0.80 -0.39 -0.07 -0.75 0.00 0.00 0.00 175.10 174.69 1zad s LYS 50 N -3.72 1.69 -0.44 2.72 2.20 0.26 -3.30 119.74 119.16 1zad s LYS 50 Ca 0.27 -0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 55.01 1zad s LYS 50 Cb 0.03 -2.18 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1zad s LYS 50 CO 0.10 -0.43 0.69 0.71 -0.36 0.00 0.00 175.35 176.06 1zad s TYR 51 N 1.53 3.04 -0.51 4.03 1.51 -1.26 -0.39 117.35 125.29 1zad s TYR 51 Ca -0.00 0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 1zad s TYR 51 Cb -0.16 -3.45 0.13 0.00 -0.11 0.00 0.00 41.96 38.38 1zad s TYR 51 CO -0.08 -0.91 0.35 0.08 -1.11 0.00 0.00 175.55 173.88 1zad s VAL 52 N 2.97 3.88 0.21 0.71 1.01 -0.89 -4.95 120.40 123.34 1zad s VAL 52 Ca 0.25 -2.23 -0.04 0.00 0.00 0.00 0.00 61.98 59.96 1zad s VAL 52 Cb -0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1zad s VAL 52 CO 0.20 -0.79 0.44 0.00 0.00 0.00 0.00 175.10 174.95 1zad n ASN 55 N -0.48 1.27 -4.47 0.00 6.94 -1.26 -1.48 115.26 115.78 1zad n ASN 55 Ca -0.03 -2.67 -0.33 0.00 -0.02 0.00 0.00 54.58 51.54 1zad n ASN 55 Cb 0.61 -0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 37.51 1zad n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1zad s THR 56 N -1.18 3.00 0.05 5.53 -4.23 -1.26 -4.99 115.64 112.56 1zad s THR 56 Ca 0.35 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 1zad s THR 56 Cb 0.38 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 71.96 1zad s THR 56 CO -0.13 0.57 1.80 -1.81 -0.54 0.00 0.00 174.62 174.50 1zad s ASP 57 N -0.79 6.52 -0.77 3.99 1.01 -1.26 -1.51 116.67 123.86 1zad s ASP 57 Ca 0.12 2.57 -0.04 0.00 0.71 0.00 0.00 52.55 55.91 1zad s ASP 57 Cb -0.11 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1zad s ASP 57 CO 0.01 -0.98 0.50 0.54 0.21 0.00 0.00 175.17 175.45 1zad n ARG 58 N 6.50 -3.52 0.05 8.23 1.74 0.22 -4.92 116.66 124.95 1zad n ARG 58 Ca 0.18 0.46 -0.16 0.00 -0.77 0.00 0.00 57.85 57.56 1zad n ARG 58 Cb 0.40 -4.37 -0.06 0.00 -1.02 0.00 0.00 32.46 27.42 1zad n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11