#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 3.14 0.01 3.23 1.02 -1.26 0.64 119.74 126.52 1zad s LYS 2 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.16 1zad s LYS 2 Cb 0.00 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1zad s LYS 2 CO 0.00 -0.54 -0.06 0.00 -0.92 0.00 0.00 175.35 173.83 1zad s ASN 4 N -1.53 5.56 0.00 0.00 0.01 -1.26 -0.78 114.94 116.95 1zad s ASN 4 Ca 0.18 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1zad s ASN 4 Cb -0.11 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1zad s ASN 4 CO 0.09 -0.86 0.00 0.29 -1.51 0.00 0.00 177.10 175.11 1zad n LYS 5 N -1.99 2.79 -0.31 -0.60 4.01 -0.80 -4.58 118.16 116.68 1zad n LYS 5 Ca 0.08 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 58.05 1zad n LYS 5 Cb 0.59 0.00 0.44 0.00 -0.51 0.00 0.00 35.03 35.55 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 0.57 -8.99 -0.35 5.85 -1.90 -3.37 115.31 107.12 1zad h LEU 6 Ca 0.00 0.07 -0.62 0.00 0.84 0.00 0.00 57.88 58.17 1zad h LEU 6 Cb 0.00 -0.02 -0.18 0.00 0.37 0.00 0.00 40.66 40.82 1zad h LEU 6 CO 0.00 0.19 -0.60 -0.69 -0.34 0.00 0.00 178.44 176.99 1zad s VAL 7 N -5.61 4.44 -0.03 1.05 1.01 -1.26 -4.98 120.40 115.02 1zad s VAL 7 Ca -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1zad s VAL 7 Cb 0.24 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1zad s VAL 7 CO 0.79 0.47 0.85 -2.65 0.00 0.00 0.00 175.10 174.56 1zad n PRO 8 N 3.58 0.09 0.00 2.72 -0.02 -1.26 -3.55 135.00 136.56 1zad n PRO 8 Ca -0.17 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1zad n PRO 8 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 4.03 0.00 -4.52 4.25 0.13 -1.26 -5.07 119.36 116.93 1zad n ILE 9 Ca 0.02 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.33 1zad n ILE 9 Cb 0.02 -0.58 -0.12 0.00 -0.84 0.00 0.00 39.64 38.12 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 -1.79 2.92 0.06 1.51 0.00 -1.23 -5.07 121.76 118.16 1zad s ALA 10 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1zad s ALA 10 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1zad s ALA 10 CO 0.00 0.28 0.21 1.52 0.00 0.00 0.00 175.76 177.77 1zad s TYR 11 N 0.18 0.07 0.32 0.00 1.13 -1.26 -1.91 117.35 115.88 1zad s TYR 11 Ca -0.03 -0.38 0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1zad s TYR 11 Cb -0.14 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1zad s TYR 11 CO 0.03 -0.50 0.20 1.63 -2.51 0.00 0.00 175.55 174.40 1zad n LYS 12 N 0.32 0.46 -2.92 -3.49 5.02 0.04 -4.91 118.16 112.68 1zad n LYS 12 Ca -0.17 -2.93 -0.41 0.00 -2.02 0.00 0.00 58.31 52.77 1zad n LYS 12 Cb 0.61 2.06 -0.04 0.00 -0.02 0.00 0.00 35.03 37.63 1zad n LYS 12 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zad s THR 13 N -3.05 4.88 -0.45 -0.18 2.01 -1.26 -0.34 115.64 117.25 1zad s THR 13 Ca 0.28 1.54 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 1zad s THR 13 Cb 0.01 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1zad s THR 13 CO 0.20 -0.01 1.78 0.00 -0.69 0.00 0.00 174.62 175.90 1zad n PRO 15 N 8.68 -3.33 -1.67 0.00 -0.04 -1.21 -4.33 135.00 133.09 1zad n PRO 15 Ca 0.21 -0.70 -0.48 0.00 -0.04 0.00 0.00 63.50 62.49 1zad n PRO 15 Cb 0.49 -0.92 -0.05 0.00 -0.04 0.00 0.00 33.50 32.98 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 -3.78 2.11 0.00 0.54 4.07 -1.26 -1.20 120.64 121.13 1zad n GLU 16 Ca 0.07 0.77 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 1zad n GLU 16 Cb 0.29 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.10 1zad n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1zad n GLY 17 N 3.95 3.09 3.14 8.31 0.00 -1.26 -5.00 105.19 117.42 1zad n GLY 17 Ca 0.20 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 2.27 -0.06 1.61 1.02 -0.34 -4.35 119.74 119.89 1zad s LYS 18 Ca 0.00 -1.40 0.09 0.00 0.02 0.00 0.00 55.97 54.69 1zad s LYS 18 Cb 0.00 -3.19 0.14 0.00 -0.52 0.00 0.00 37.83 34.26 1zad s LYS 18 CO 0.00 -0.70 1.05 -1.71 -0.92 0.00 0.00 175.35 173.08 1zad n ASN 19 N 4.56 1.98 -4.31 2.83 5.15 -1.14 -3.31 115.26 121.03 1zad n ASN 19 Ca -0.11 -2.50 -0.29 0.00 -0.60 0.00 0.00 54.58 51.09 1zad n ASN 19 Cb 0.43 -0.22 -0.15 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.83 2.13 -0.11 1.20 1.43 -0.41 -4.69 118.68 116.40 1zad s LEU 20 Ca 0.16 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1zad s LEU 20 Cb 0.14 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 1zad s LEU 20 CO 0.01 0.25 -0.16 0.00 0.23 0.00 0.00 176.35 176.68 1zad s TYR 22 N 0.15 1.40 -0.17 0.00 -0.85 0.97 0.27 117.35 119.13 1zad s TYR 22 Ca -0.09 -0.81 -0.04 0.00 -0.52 0.00 0.00 57.07 55.61 1zad s TYR 22 Cb -0.15 -0.75 0.08 0.00 0.38 0.00 0.00 41.96 41.51 1zad s TYR 22 CO 0.05 0.05 0.24 -1.59 -1.52 0.00 0.00 175.55 172.78 1zad s LYS 23 N -3.79 0.17 -0.12 -3.49 0.00 -0.13 -0.88 119.74 111.50 1zad s LYS 23 Ca 0.22 0.45 -0.20 0.00 0.00 0.00 0.00 55.97 56.44 1zad s LYS 23 Cb 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 37.83 37.18 1zad s LYS 23 CO 0.04 -0.49 0.54 -1.64 0.00 0.00 0.00 175.35 173.81 1zad s MET 24 N 2.37 4.34 -0.20 1.78 -1.94 0.27 -2.17 119.30 123.75 1zad s MET 24 Ca 0.05 0.56 -0.03 0.00 -1.71 0.00 0.00 55.69 54.56 1zad s MET 24 Cb -0.14 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 33.23 1zad s MET 24 CO -0.10 0.08 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.87 1zad s PHE 25 N 0.85 2.93 0.41 -0.03 0.40 0.32 -2.28 117.98 120.58 1zad s PHE 25 Ca 0.29 -0.90 -0.14 0.00 -0.60 0.00 0.00 56.93 55.58 1zad s PHE 25 Cb -0.16 -2.06 -0.08 0.00 0.51 0.00 0.00 43.02 41.24 1zad s PHE 25 CO 0.12 -0.49 0.82 1.41 0.70 0.00 0.00 175.22 177.78 1zad s MET 26 N 1.27 3.91 0.00 0.44 1.75 -1.26 0.61 119.30 126.01 1zad s MET 26 Ca 0.03 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1zad s MET 26 Cb -0.14 -2.33 0.00 0.00 2.84 0.00 0.00 34.83 35.20 1zad s MET 26 CO -0.02 -0.04 0.00 -1.33 -0.65 0.00 0.00 175.02 172.98 1zad n MET 27 N -1.07 0.00 -3.81 4.11 2.81 0.75 -4.55 117.12 115.37 1zad n MET 27 Ca 0.04 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 1zad n MET 27 Cb 0.54 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.98 1zad n MET 27 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1zad s SER 28 N 0.00 0.03 -0.23 7.83 0.15 -1.26 -4.84 113.70 115.38 1zad s SER 28 Ca 0.00 -0.52 0.10 0.00 0.70 0.00 0.00 55.95 56.23 1zad s SER 28 Cb 0.00 0.36 -0.21 0.00 -1.71 0.00 0.00 66.02 64.46 1zad s SER 28 CO 0.00 -0.72 -0.07 -0.90 1.20 0.00 0.00 173.24 172.75 1zad n ASP 29 N 0.04 0.97 -0.37 5.45 5.75 -1.26 -4.25 116.55 122.87 1zad n ASP 29 Ca -0.16 -0.07 0.37 0.00 -0.01 0.00 0.00 54.79 54.93 1zad n ASP 29 Cb 0.62 0.34 0.66 0.00 -1.03 0.00 0.00 41.12 41.71 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 -1.97 -3.38 115.31 111.22 1zad h LEU 30 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1zad h LEU 30 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1zad h LEU 30 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 1zad n THR 31 N -3.70 0.00 -3.79 0.22 -2.24 -1.26 -5.08 114.28 98.42 1zad n THR 31 Ca 0.29 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.73 1zad n THR 31 Cb 1.55 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.30 5.33 0.44 2.28 1.09 -1.26 -5.09 121.20 125.28 1zad s ILE 32 Ca 0.00 0.07 -0.07 0.00 -1.10 0.00 0.00 60.65 59.54 1zad s ILE 32 Cb 0.00 -3.57 0.11 0.00 -1.06 0.00 0.00 42.46 37.95 1zad s ILE 32 CO 0.00 0.33 0.30 -0.81 -0.10 0.00 0.00 174.94 174.65 1zad n PRO 33 N 0.99 -2.53 0.00 2.79 -0.04 -1.26 -4.85 135.00 130.09 1zad n PRO 33 Ca -0.10 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1zad n PRO 33 Cb 0.53 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 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 -3.69 0.00 -3.79 0.52 0.24 -1.00 -4.86 118.33 105.75 1zad n VAL 34 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.22 1zad n VAL 34 Cb 0.19 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 31.80 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 -1.81 0.64 -0.28 7.34 1.02 -0.97 -5.02 119.74 120.66 1zad s LYS 35 Ca 0.00 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 1zad s LYS 35 Cb 0.00 0.28 0.12 0.00 -0.52 0.00 0.00 37.83 37.71 1zad s LYS 35 CO 0.00 -0.17 0.88 -0.98 -0.92 0.00 0.00 175.35 174.15 1zad s ARG 36 N -1.45 0.52 0.00 1.68 1.70 -1.26 0.98 118.95 121.11 1zad s ARG 36 Ca -0.13 0.85 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 1zad s ARG 36 Cb -0.05 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.46 1zad s ARG 36 CO 0.03 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.56 1zad n GLY 37 N 3.67 4.00 3.80 3.88 0.00 -0.06 -4.48 105.19 116.00 1zad n GLY 37 Ca -0.18 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.34 0.00 -0.14 0.00 2.07 0.28 -4.83 121.20 116.23 1zad s ILE 39 Ca 0.39 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1zad s ILE 39 Cb -0.05 -2.51 -0.10 0.00 0.13 0.00 0.00 42.46 39.94 1zad s ILE 39 CO 0.25 0.00 -0.11 -0.90 -1.91 0.00 0.00 174.94 172.26 1zad n ASP 40 N -0.94 2.85 -3.87 4.50 5.75 -1.26 -1.29 116.55 122.29 1zad n ASP 40 Ca -0.05 -0.07 -0.20 0.00 -0.01 0.00 0.00 54.79 54.46 1zad n ASP 40 Cb 0.60 -0.15 -0.16 0.00 -1.03 0.00 0.00 41.12 40.38 1zad n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1zad s VAL 41 N -2.28 0.46 -0.03 2.12 1.01 -1.26 -4.86 120.40 115.55 1zad s VAL 41 Ca -0.18 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1zad s VAL 41 Cb 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1zad s VAL 41 CO 0.34 0.21 1.80 0.00 0.00 0.00 0.00 175.10 177.45 1zad s PRO 43 N 4.31 -1.40 -0.03 0.00 0.02 -1.26 -5.00 135.00 131.65 1zad s PRO 43 Ca 0.80 0.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 1zad s PRO 43 Cb -0.37 -1.51 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1zad s PRO 43 CO 0.35 -4.00 1.20 0.15 -0.33 0.00 0.00 177.00 174.37 1zad s LYS 44 N -4.57 4.37 0.80 5.54 1.02 -1.26 -5.01 119.74 120.64 1zad s LYS 44 Ca 0.69 1.70 -0.12 0.00 0.02 0.00 0.00 55.97 58.26 1zad s LYS 44 Cb -0.23 -3.51 0.07 0.00 -0.52 0.00 0.00 37.83 33.65 1zad s LYS 44 CO 0.64 -0.40 1.10 1.21 -0.92 0.00 0.00 175.35 176.98 1zad s ASN 45 N 1.39 4.44 0.44 2.83 2.47 -1.26 -4.99 114.94 120.26 1zad s ASN 45 Ca 0.57 1.25 0.03 0.00 0.42 0.00 0.00 52.86 55.12 1zad s ASN 45 Cb -0.26 -1.96 -0.01 0.00 -1.45 0.00 0.00 41.25 37.57 1zad s ASN 45 CO 0.24 -1.99 0.10 -1.54 -3.72 0.00 0.00 177.10 170.19 1zad n SER 46 N -3.44 1.91 0.07 -4.21 3.41 -1.17 -5.02 113.62 105.17 1zad n SER 46 Ca 0.07 -3.19 0.09 0.00 -0.26 0.00 0.00 58.87 55.58 1zad n SER 46 Cb 0.57 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 65.30 1zad n SER 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1zad n LEU 47 N 0.00 0.70 0.05 1.04 7.94 -1.26 -3.88 117.00 121.58 1zad n LEU 47 Ca -0.11 0.28 -0.02 0.00 -1.11 0.00 0.00 56.01 55.05 1zad n LEU 47 Cb 0.62 -0.02 -0.08 0.00 0.53 0.00 0.00 43.42 44.48 1zad n LEU 47 CO 0.33 -0.09 -0.10 0.25 -1.11 0.00 0.00 177.39 176.67 1zad h LEU 48 N 0.00 0.00 -8.68 -1.96 7.12 -1.94 -3.47 115.31 106.38 1zad h LEU 48 Ca -0.04 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.63 1zad h LEU 48 Cb 1.12 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 41.10 1zad h LEU 48 CO 0.01 0.71 -0.71 -0.69 -0.13 0.00 0.00 178.44 177.63 1zad s VAL 49 N -2.83 1.20 -0.18 1.05 1.01 -1.25 -0.18 120.40 119.22 1zad s VAL 49 Ca -0.01 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1zad s VAL 49 Cb 0.08 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1zad s VAL 49 CO 0.80 -0.71 -0.15 -0.75 0.00 0.00 0.00 175.10 174.29 1zad s LYS 50 N -3.75 2.51 -0.50 2.72 2.47 0.20 -3.04 119.74 120.35 1zad s LYS 50 Ca 0.18 -0.82 -0.19 0.00 -1.56 0.00 0.00 55.97 53.58 1zad s LYS 50 Cb 0.02 -2.45 0.05 0.00 -1.46 0.00 0.00 37.83 34.00 1zad s LYS 50 CO 0.01 -0.31 0.63 0.71 0.16 0.00 0.00 175.35 176.56 1zad s TYR 51 N 1.34 3.05 -0.47 4.03 1.51 -1.26 -0.52 117.35 125.03 1zad s TYR 51 Ca 0.02 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.53 1zad s TYR 51 Cb -0.14 -3.51 0.12 0.00 -0.11 0.00 0.00 41.96 38.32 1zad s TYR 51 CO -0.10 -1.02 0.33 0.08 -1.11 0.00 0.00 175.55 173.73 1zad s VAL 52 N 2.67 4.03 0.25 0.71 1.01 -0.92 -4.94 120.40 123.21 1zad s VAL 52 Ca 0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.20 1zad s VAL 52 Cb -0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1zad s VAL 52 CO 0.13 -0.77 0.48 0.00 0.00 0.00 0.00 175.10 174.94 1zad n ASN 55 N -0.80 0.50 -4.74 0.00 0.23 -1.26 -1.51 115.26 107.68 1zad n ASN 55 Ca -0.03 -2.23 -0.35 0.00 -0.53 0.00 0.00 54.58 51.43 1zad n ASN 55 Cb 0.61 -0.25 -0.08 0.00 -2.08 0.00 0.00 39.78 37.97 1zad n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1zad s THR 56 N -0.59 4.63 0.06 5.53 -4.23 -1.26 -4.97 115.64 114.81 1zad s THR 56 Ca 0.07 -0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1zad s THR 56 Cb 0.07 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 1zad s THR 56 CO 0.00 0.59 1.78 -1.81 -0.54 0.00 0.00 174.62 174.64 1zad s ASP 57 N -0.97 6.52 -0.67 3.99 1.01 -1.26 -1.60 116.67 123.68 1zad s ASP 57 Ca 0.14 2.58 -0.04 0.00 0.71 0.00 0.00 52.55 55.95 1zad s ASP 57 Cb -0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1zad s ASP 57 CO 0.03 -0.97 0.48 0.54 0.21 0.00 0.00 175.17 175.47 1zad n ARG 58 N 6.24 -3.36 0.06 8.23 1.74 0.18 -4.93 116.66 124.82 1zad n ARG 58 Ca 0.17 0.41 -0.19 0.00 -0.77 0.00 0.00 57.85 57.47 1zad n ARG 58 Cb 0.40 -4.17 -0.09 0.00 -1.02 0.00 0.00 32.46 27.58 1zad n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11