#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 h GLN 2 N 0.00 0.00 -0.25 5.31 4.15 -2.08 -3.28 115.11 118.97 1h20 h GLN 2 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 1h20 h GLN 2 Cb 0.00 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 27.46 1h20 h GLN 2 CO 0.00 0.02 -0.59 -2.39 -1.93 0.00 0.00 178.83 173.95 1h20 n HIS 3 N -3.13 -1.24 -3.50 3.99 1.44 -1.26 -5.12 115.22 106.40 1h20 n HIS 3 Ca 0.01 -2.07 -0.09 0.00 -2.01 0.00 0.00 57.72 53.55 1h20 n HIS 3 Cb 0.33 1.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.42 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h20 s ALA 4 N -0.93 -1.81 -0.18 1.59 0.00 -1.24 -5.15 121.76 114.04 1h20 s ALA 4 Ca 0.20 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 1h20 s ALA 4 Cb 0.42 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1h20 s ALA 4 CO -0.07 -0.64 1.16 0.34 0.00 0.00 0.00 175.76 176.55 1h20 s ASP 5 N -2.29 7.03 0.02 0.00 -1.08 -1.26 -4.05 116.67 115.03 1h20 s ASP 5 Ca 0.03 1.57 0.22 0.00 -0.52 0.00 0.00 52.55 53.85 1h20 s ASP 5 Cb -0.01 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.82 1h20 s ASP 5 CO -0.07 -0.70 1.69 -0.81 0.52 0.00 0.00 175.17 175.79 1h20 n PRO 6 N 6.34 0.02 0.07 4.34 -0.04 -1.26 -3.86 135.00 140.60 1h20 n PRO 6 Ca 0.13 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 1h20 n PRO 6 Cb 0.46 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1h20 n PRO 6 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1h20 n ILE 7 N -1.57 0.80 -1.55 0.52 0.13 -1.26 -4.92 119.36 111.50 1h20 n ILE 7 Ca 0.05 -0.60 -0.52 0.00 -1.10 0.00 0.00 62.75 60.58 1h20 n ILE 7 Cb 0.26 -0.46 -0.07 0.00 -0.84 0.00 0.00 39.64 38.53 1h20 n ILE 7 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1h20 n ASN 9 N 8.11 -2.28 -4.69 0.00 3.02 0.29 -4.97 115.26 114.74 1h20 n ASN 9 Ca 0.34 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1h20 n ASN 9 Cb 0.21 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1h20 n ASN 9 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1h20 s LYS 10 N -0.40 4.21 0.00 3.52 2.47 0.21 -4.52 119.74 125.23 1h20 s LYS 10 Ca 0.00 2.27 -0.30 0.00 -1.56 0.00 0.00 55.97 56.37 1h20 s LYS 10 Cb 0.00 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1h20 s LYS 10 CO 0.00 -0.71 1.08 -2.14 0.16 0.00 0.00 175.35 173.74 1h20 s PRO 11 N 2.66 4.48 0.02 4.03 0.02 -1.26 -0.65 135.00 144.30 1h20 s PRO 11 Ca 0.72 1.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 1h20 s PRO 11 Cb -0.38 -3.45 0.01 0.00 0.02 0.00 0.00 34.50 30.70 1h20 s PRO 11 CO 0.31 -0.19 0.07 0.00 -0.33 0.00 0.00 177.00 176.86 1h20 n LYS 13 N -0.05 0.60 -4.21 0.00 4.76 -1.26 -4.25 118.16 113.75 1h20 n LYS 13 Ca -0.00 -0.25 -0.17 0.00 -2.87 0.00 0.00 58.31 55.02 1h20 n LYS 13 Cb 0.05 -0.71 -0.07 0.00 -1.84 0.00 0.00 35.03 32.46 1h20 n LYS 13 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1h20 s THR 14 N -0.16 0.00 -0.23 -0.18 -4.23 -1.26 -4.83 115.64 104.76 1h20 s THR 14 Ca 0.00 -1.88 0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1h20 s THR 14 Cb 0.00 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1h20 s THR 14 CO 0.00 0.00 1.10 1.12 -0.54 0.00 0.00 174.62 176.30 1h20 h HIS 15 N 2.22 0.00 -0.15 3.99 2.07 -1.84 -3.18 115.15 118.25 1h20 h HIS 15 Ca -0.28 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.19 1h20 h HIS 15 Cb 1.24 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.21 1h20 h HIS 15 CO 1.37 0.20 -0.16 -0.44 -3.07 0.00 0.00 177.93 175.83 1h20 h ASP 16 N 0.00 0.23 0.39 3.10 3.32 -1.97 -2.63 116.42 118.87 1h20 h ASP 16 Ca -0.04 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 1h20 h ASP 16 Cb 1.19 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1h20 h ASP 16 CO 0.02 0.42 -0.42 -0.78 -1.72 0.00 0.00 179.24 176.76 1h20 h ASP 17 N 0.23 0.04 -0.77 6.45 1.82 -1.93 -2.51 116.42 119.74 1h20 h ASP 17 Ca 0.04 -0.01 -0.46 0.00 -0.39 0.00 0.00 57.03 56.21 1h20 h ASP 17 Cb 0.42 -0.01 -0.23 0.00 0.68 0.00 0.00 39.33 40.19 1h20 h ASP 17 CO 0.03 0.45 0.60 0.00 -1.61 0.00 0.00 179.24 178.70 1h20 h SER 19 N 1.28 -0.08 0.12 0.00 4.64 -1.43 -2.16 113.55 115.92 1h20 h SER 19 Ca 0.48 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1h20 h SER 19 Cb 1.64 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1h20 h SER 19 CO 1.05 -0.04 -0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1h20 n GLY 20 N -1.33 -1.02 3.70 -0.77 0.00 -1.26 -4.89 105.19 99.62 1h20 n GLY 20 Ca 0.09 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1h20 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h20 s ALA 21 N -2.12 1.28 0.00 4.61 0.00 -0.81 -4.98 121.76 119.74 1h20 s ALA 21 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1h20 s ALA 21 Cb 0.22 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1h20 s ALA 21 CO 0.39 -2.57 0.00 -2.67 0.00 0.00 0.00 175.76 170.91 1h20 n TRP 22 N -4.01 0.00 -0.02 0.00 4.27 -1.26 -4.79 117.44 111.63 1h20 n TRP 22 Ca 0.06 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.64 1h20 n TRP 22 Cb 0.56 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.50 1h20 n TRP 22 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1h20 n PHE 23 N -0.81 0.00 -1.47 -2.67 7.35 -1.26 -4.68 117.46 113.93 1h20 n PHE 23 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 1h20 n PHE 23 Cb 0.03 -0.19 -0.07 0.00 0.35 0.00 0.00 39.48 39.60 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h20 n GLN 25 N 1.62 0.60 -4.12 0.00 1.13 -0.98 -3.48 117.38 112.15 1h20 n GLN 25 Ca 0.53 0.02 -0.18 0.00 -1.94 0.00 0.00 57.00 55.43 1h20 n GLN 25 Cb 0.55 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.24 1h20 n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1h20 s ALA 26 N -2.15 0.51 -0.52 -1.58 0.00 -0.36 -4.55 121.76 113.12 1h20 s ALA 26 Ca 0.30 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 1h20 s ALA 26 Cb 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.05 1h20 s ALA 26 CO 0.28 0.02 0.61 0.00 0.00 0.00 0.00 175.76 176.66 1h20 s TRP 28 N 2.49 2.63 0.00 0.00 0.52 -0.57 -4.02 118.94 120.00 1h20 s TRP 28 Ca 0.13 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.75 1h20 s TRP 28 Cb -0.21 -3.47 0.00 0.00 -1.15 0.00 0.00 33.47 28.64 1h20 s TRP 28 CO 0.10 -1.93 0.92 0.09 0.02 0.00 0.00 176.95 176.15 1h20 n ASN 29 N -0.94 0.00 -0.03 2.95 3.02 -1.26 -0.85 115.26 118.16 1h20 n ASN 29 Ca 0.10 0.92 -0.03 0.00 -0.03 0.00 0.00 54.58 55.54 1h20 n ASN 29 Cb 0.48 -0.42 0.21 0.00 -0.61 0.00 0.00 39.78 39.45 1h20 n ASN 29 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h20 h SER 30 N 0.00 0.57 0.48 6.41 4.64 -1.99 -2.66 113.55 121.00 1h20 h SER 30 Ca 0.00 -0.15 -0.30 0.00 -0.47 0.00 0.00 61.79 60.87 1h20 h SER 30 Cb 0.00 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1h20 h SER 30 CO 0.00 0.72 -1.31 0.00 -0.87 0.00 0.00 176.83 175.36 1h20 h ALA 31 N 1.34 0.01 -1.75 5.18 0.00 -1.97 -3.47 119.26 118.60 1h20 h ALA 31 Ca 0.10 -0.87 -0.36 0.00 0.00 0.00 0.00 54.91 53.78 1h20 h ALA 31 Cb 0.51 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1h20 h ALA 31 CO 0.03 0.86 -0.40 0.54 0.00 0.00 0.00 179.25 180.28 1h20 n ARG 32 N -3.61 -1.35 -4.03 0.00 1.74 -0.03 -5.01 116.66 104.38 1h20 n ARG 32 Ca -0.11 0.99 -0.09 0.00 -0.77 0.00 0.00 57.85 57.87 1h20 n ARG 32 Cb 1.04 -5.38 -0.11 0.00 -1.02 0.00 0.00 32.46 27.00 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1h20 s THR 33 N -2.79 0.19 -0.68 0.55 -4.23 -1.25 -1.27 115.64 106.17 1h20 s THR 33 Ca 0.00 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 59.01 1h20 s THR 33 Cb 0.00 -0.73 -0.11 0.00 1.34 0.00 0.00 72.50 73.00 1h20 s THR 33 CO 0.00 -0.66 2.42 0.00 -0.54 0.00 0.00 174.62 175.84 1h20 n GLY 35 N 6.52 2.28 3.65 0.00 0.00 0.16 -0.55 105.19 117.25 1h20 n GLY 35 Ca 0.43 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 1h20 n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h20 s PRO 36 N -3.89 0.72 0.00 1.61 0.04 -1.25 -1.22 135.00 131.01 1h20 s PRO 36 Ca 0.38 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1h20 s PRO 36 Cb -0.03 -1.71 0.56 0.00 0.04 0.00 0.00 34.50 33.36 1h20 s PRO 36 CO 0.24 -2.74 1.02 0.98 0.04 0.00 0.00 177.00 176.54 1h20 n TYR 37 N -4.28 0.00 0.00 0.56 9.36 -1.17 -4.14 117.16 117.48 1h20 n TYR 37 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1h20 n TYR 37 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 1h20 n TYR 37 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1h20 n VAL 38 N -0.77 0.00 -1.64 2.97 0.31 -1.26 -4.87 118.33 113.06 1h20 n VAL 38 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1h20 n VAL 38 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12