#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otk s GLU 15 N 0.00 4.29 -0.19 1.61 2.12 -1.26 -5.01 118.70 120.27 2otk s GLU 15 Ca 0.00 1.67 -0.05 0.00 0.36 0.00 0.00 54.97 56.95 2otk s GLU 15 Cb 0.00 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2otk s GLU 15 CO 0.00 -0.57 0.01 0.42 -0.54 0.00 0.00 175.26 174.58 2otk s ILE 16 N 2.81 4.15 0.04 -3.70 1.01 -1.26 -5.10 121.20 119.15 2otk s ILE 16 Ca 0.55 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.98 2otk s ILE 16 Cb -0.23 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2otk s ILE 16 CO 0.19 0.44 0.02 -0.69 0.00 0.00 0.00 174.94 174.90 2otk s VAL 17 N 0.75 4.21 -0.09 2.92 1.01 -1.26 -5.13 120.40 122.81 2otk s VAL 17 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2otk s VAL 17 Cb -0.14 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2otk s VAL 17 CO 0.02 0.26 -0.13 -0.31 0.00 0.00 0.00 175.10 174.94 2otk s TYR 18 N -1.20 1.69 -0.40 5.22 1.51 -1.26 -5.06 117.35 117.86 2otk s TYR 18 Ca 0.23 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 2otk s TYR 18 Cb -0.12 -1.25 0.43 0.00 -0.11 0.00 0.00 41.96 40.92 2otk s TYR 18 CO 0.15 -0.39 1.09 1.28 -1.11 0.00 0.00 175.55 176.57 2otk n LEU 19 N 4.11 4.08 0.22 -1.29 4.77 -1.26 -4.83 117.00 122.80 2otk n LEU 19 Ca -0.20 -4.84 0.15 0.00 -0.03 0.00 0.00 56.01 51.10 2otk n LEU 19 Cb 0.51 -0.26 0.73 0.00 -2.33 0.00 0.00 43.42 42.07 2otk n LEU 19 CO 0.24 2.07 0.96 1.55 -1.33 0.00 0.00 177.39 180.87 2otk h PRO 20 N 2.60 0.00 -0.00 3.23 0.13 -1.98 -1.26 132.00 134.72 2otk h PRO 20 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2otk h PRO 20 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2otk h PRO 20 CO 0.76 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.54 2otk n ASN 21 N -2.62 0.25 -4.79 1.44 3.02 -1.26 -4.81 115.26 106.49 2otk n ASN 21 Ca -0.00 -0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 53.85 2otk n ASN 21 Cb 0.15 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 2otk n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2otk s LEU 22 N -2.57 4.33 0.80 3.41 1.02 -0.48 -4.69 118.68 120.50 2otk s LEU 22 Ca 0.27 0.57 -0.10 0.00 0.02 0.00 0.00 54.13 54.89 2otk s LEU 22 Cb 0.20 -2.31 0.07 0.00 0.02 0.00 0.00 46.19 44.17 2otk s LEU 22 CO 0.48 0.24 1.10 0.20 0.02 0.00 0.00 176.35 178.39 2otk s ASN 23 N -0.28 4.23 0.47 2.29 -0.87 -1.26 -4.66 114.94 114.86 2otk s ASN 23 Ca 0.17 1.89 0.21 0.00 -1.57 0.00 0.00 52.86 53.56 2otk s ASN 23 Cb -0.13 -2.53 1.22 0.00 -0.02 0.00 0.00 41.25 39.79 2otk s ASN 23 CO 0.05 -2.22 1.92 -0.65 -2.57 0.00 0.00 177.10 173.63 2otk h PRO 24 N -1.25 0.23 -0.09 -0.60 0.11 -1.98 0.15 132.00 128.57 2otk h PRO 24 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2otk h PRO 24 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2otk h PRO 24 CO 0.50 0.15 0.01 -0.44 -0.21 0.00 0.00 178.00 178.00 2otk h ASP 25 N 0.24 0.15 -0.55 -2.05 3.32 -1.98 0.14 116.42 115.69 2otk h ASP 25 Ca 0.38 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2otk h ASP 25 Cb 1.14 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2otk h ASP 25 CO -0.08 0.40 0.25 1.56 -1.72 0.00 0.00 179.24 179.65 2otk h GLN 26 N -0.11 0.79 -0.45 3.56 1.08 -1.22 0.20 115.11 118.96 2otk h GLN 26 Ca 0.03 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 2otk h GLN 26 Cb 0.32 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2otk h GLN 26 CO 0.00 0.66 0.03 -0.07 -0.95 0.00 0.00 178.83 178.51 2otk h LEU 27 N 0.74 0.75 -0.85 1.46 3.38 -0.75 -0.15 115.31 119.88 2otk h LEU 27 Ca 0.19 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2otk h LEU 27 Cb 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2otk h LEU 27 CO -0.02 0.85 0.16 0.00 0.09 0.00 0.00 178.44 179.52 2otk h ALA 29 N 1.20 0.60 0.26 0.00 0.00 -0.36 0.61 119.26 121.56 2otk h ALA 29 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2otk h ALA 29 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2otk h ALA 29 CO 0.00 0.24 -0.12 0.35 0.00 0.00 0.00 179.25 179.72 2otk h PHE 30 N 0.61 -0.32 -0.95 0.00 3.57 -0.64 -1.29 116.94 117.92 2otk h PHE 30 Ca 0.15 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2otk h PHE 30 Cb 0.24 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 2otk h PHE 30 CO 0.01 -0.00 0.61 0.82 -2.23 0.00 0.00 178.31 177.52 2otk h ILE 31 N -0.65 1.04 -0.39 1.41 2.04 -0.20 0.29 117.51 121.04 2otk h ILE 31 Ca -0.04 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2otk h ILE 31 Cb 0.46 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2otk h ILE 31 CO 0.06 0.19 -0.03 -0.74 0.00 0.00 0.00 178.15 177.63 2otk h HIS 32 N 1.05 0.79 -0.41 1.37 2.76 -0.84 -2.47 115.15 117.41 2otk h HIS 32 Ca 0.42 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 2otk h HIS 32 Cb 0.27 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 2otk h HIS 32 CO -0.00 0.81 0.13 0.77 -1.30 0.00 0.00 177.93 178.34 2otk h SER 33 N 0.54 0.60 -0.61 3.26 0.02 0.01 -1.12 113.55 116.25 2otk h SER 33 Ca 0.11 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2otk h SER 33 Cb 0.52 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2otk h SER 33 CO 0.03 0.64 0.38 -0.07 -1.14 0.00 0.00 176.83 176.67 2otk h LEU 34 N 0.52 0.64 -0.83 5.07 3.38 -0.44 -2.45 115.31 121.20 2otk h LEU 34 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2otk h LEU 34 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2otk h LEU 34 CO -0.00 0.45 -0.28 -0.74 0.09 0.00 0.00 178.44 177.96 2otk h HIS 35 N 0.77 0.64 -0.75 1.13 2.76 -1.32 -1.35 115.15 117.03 2otk h HIS 35 Ca 0.24 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2otk h HIS 35 Cb -0.01 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 2otk h HIS 35 CO -0.05 0.78 0.35 -0.44 -1.30 0.00 0.00 177.93 177.28 2otk h ASP 36 N 0.49 0.98 -1.98 3.26 3.32 -0.74 -3.38 116.42 118.36 2otk h ASP 36 Ca 0.07 -0.14 -0.46 0.00 0.02 0.00 0.00 57.03 56.51 2otk h ASP 36 Cb 0.73 -0.25 -0.32 0.00 0.22 0.00 0.00 39.33 39.71 2otk h ASP 36 CO 0.06 0.84 -0.84 -1.81 -1.72 0.00 0.00 179.24 175.77 2otk s ASP 37 N -6.17 0.63 0.61 6.45 1.01 -1.03 -4.99 116.67 113.17 2otk s ASP 37 Ca -0.13 -2.66 0.31 0.00 0.71 0.00 0.00 52.55 50.78 2otk s ASP 37 Cb 0.15 0.23 1.73 0.00 1.01 0.00 0.00 42.92 46.04 2otk s ASP 37 CO 0.81 -0.14 2.10 1.55 0.21 0.00 0.00 175.17 179.71 2otk h PRO 38 N 5.51 0.00 -0.57 8.23 0.13 -1.44 -0.67 132.00 143.19 2otk h PRO 38 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 2otk h PRO 38 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2otk h PRO 38 CO 0.27 0.00 0.23 0.66 -0.23 0.00 0.00 178.00 178.93 2otk h SER 39 N 0.00 0.75 -0.39 1.44 4.64 -1.94 -1.38 113.55 116.67 2otk h SER 39 Ca 0.07 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2otk h SER 39 Cb 0.48 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2otk h SER 39 CO -0.00 0.67 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 2otk n GLN 40 N -4.33 1.99 -0.25 4.77 3.00 -0.27 -4.40 117.38 117.89 2otk n GLN 40 Ca 0.05 -1.53 0.12 0.00 -0.01 0.00 0.00 57.00 55.62 2otk n GLN 40 Cb 0.16 -1.36 0.39 0.00 0.00 0.00 0.00 30.24 29.43 2otk n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2otk h SER 41 N 2.61 0.63 -0.15 1.08 4.64 -1.14 0.11 113.55 121.33 2otk h SER 41 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2otk h SER 41 Cb 0.59 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2otk h SER 41 CO 0.00 0.33 0.05 0.00 -0.87 0.00 0.00 176.83 176.34 2otk h ALA 42 N 1.60 0.20 -0.13 5.18 0.00 -1.79 0.17 119.26 124.49 2otk h ALA 42 Ca 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2otk h ALA 42 Cb 0.69 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2otk h ALA 42 CO -0.19 -0.19 -0.01 -0.91 0.00 0.00 0.00 179.25 177.95 2otk h ASN 43 N 0.07 0.24 -0.83 0.00 4.21 -1.69 -2.01 115.58 115.56 2otk h ASN 43 Ca 0.05 -0.34 0.04 0.00 1.21 0.00 0.00 56.30 57.26 2otk h ASN 43 Cb 0.21 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 2otk h ASN 43 CO -0.00 0.52 0.53 -0.07 -1.29 0.00 0.00 177.43 177.12 2otk h LEU 44 N -0.04 0.87 -1.31 1.61 3.38 -0.78 -1.08 115.31 117.95 2otk h LEU 44 Ca 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2otk h LEU 44 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2otk h LEU 44 CO 0.01 0.59 -0.04 0.25 0.09 0.00 0.00 178.44 179.34 2otk h LEU 45 N 1.02 0.39 -1.39 1.67 5.85 -0.56 -0.92 115.31 121.37 2otk h LEU 45 Ca 0.34 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.02 2otk h LEU 45 Cb 0.04 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2otk h LEU 45 CO -0.13 0.49 0.44 0.00 -0.34 0.00 0.00 178.44 178.90 2otk h ALA 46 N 1.57 1.61 -0.29 1.25 0.00 -0.43 0.57 119.26 123.54 2otk h ALA 46 Ca 0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2otk h ALA 46 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2otk h ALA 46 CO 0.01 0.33 -0.51 0.93 0.00 0.00 0.00 179.25 180.01 2otk h GLU 47 N 0.81 0.84 -0.10 0.00 5.08 -0.94 -1.21 114.58 119.06 2otk h GLU 47 Ca 0.26 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2otk h GLU 47 Cb 0.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2otk h GLU 47 CO -0.07 1.15 -0.48 0.00 -1.00 0.00 0.00 179.01 178.61 2otk h ALA 48 N 0.76 1.01 -0.50 3.43 0.00 0.02 0.21 119.26 124.19 2otk h ALA 48 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2otk h ALA 48 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2otk h ALA 48 CO 0.11 0.64 -0.13 -0.22 0.00 0.00 0.00 179.25 179.65 2otk h LYS 49 N 0.20 0.96 -0.30 0.00 1.63 0.25 0.41 116.57 119.72 2otk h LYS 49 Ca 0.01 -0.37 -0.06 0.00 -0.85 0.00 0.00 60.65 59.38 2otk h LYS 49 Cb 0.92 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 2otk h LYS 49 CO 0.07 1.04 -0.05 0.87 -3.45 0.00 0.00 179.45 177.94 2otk h LYS 50 N 0.82 0.48 -0.55 1.90 1.57 -0.80 -0.99 116.57 119.00 2otk h LYS 50 Ca 0.12 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2otk h LYS 50 Cb 0.69 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2otk h LYS 50 CO 0.05 0.55 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.37 2otk h LEU 51 N 0.45 0.95 -0.99 2.94 -0.00 0.26 0.63 115.31 119.56 2otk h LEU 51 Ca 0.09 -0.27 0.10 0.00 -0.00 0.00 0.00 57.88 57.80 2otk h LEU 51 Cb 0.38 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.70 2otk h LEU 51 CO 0.02 1.02 0.63 -1.13 -0.00 0.00 0.00 178.44 178.98 2otk h ASN 52 N 0.88 0.94 0.79 -0.43 -1.24 0.11 0.30 115.58 116.93 2otk h ASN 52 Ca 0.15 0.04 -0.25 0.00 0.71 0.00 0.00 56.30 56.96 2otk h ASN 52 Cb 0.57 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2otk h ASN 52 CO 0.03 0.53 -1.16 -0.78 -1.29 0.00 0.00 177.43 174.76 2otk h ASP 53 N 1.03 0.21 0.30 1.15 3.58 -0.89 -1.28 116.42 120.51 2otk h ASP 53 Ca 0.47 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 2otk h ASP 53 Cb 0.39 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2otk h ASP 53 CO -0.24 1.18 -0.29 0.00 -2.88 0.00 0.00 179.24 177.01 2otk h ALA 54 N 0.79 1.51 -0.06 -0.78 0.00 0.22 -3.01 119.26 117.93 2otk h ALA 54 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2otk h ALA 54 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2otk h ALA 54 CO 0.16 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.81 2otk n GLN 55 N -4.18 2.84 0.00 0.00 6.02 0.86 -5.04 117.38 117.88 2otk n GLN 55 Ca -0.02 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 2otk n GLN 55 Cb 0.34 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.55 2otk n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05