#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 n GLN 2 N 0.00 0.88 -2.52 3.44 7.27 -1.26 -4.92 117.38 120.27 1h20 n GLN 2 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1h20 n GLN 2 Cb 0.00 -1.37 -0.02 0.00 2.41 0.00 0.00 30.24 31.27 1h20 n GLN 2 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1h20 n HIS 3 N 0.16 -2.91 0.00 3.69 -0.00 -1.26 -5.10 115.22 109.80 1h20 n HIS 3 Ca 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 57.72 59.43 1h20 n HIS 3 Cb 0.26 -2.80 0.00 0.00 -0.00 0.00 0.00 29.99 27.46 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1h20 n ALA 4 N 1.98 0.00 -2.53 1.57 0.00 -1.26 -4.96 120.51 115.31 1h20 n ALA 4 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1h20 n ALA 4 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1h20 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1h20 s ASP 5 N -1.20 7.24 0.36 0.00 -1.08 -1.26 -4.95 116.67 115.78 1h20 s ASP 5 Ca 0.00 1.85 0.21 0.00 -0.52 0.00 0.00 52.55 54.09 1h20 s ASP 5 Cb 0.00 -2.58 0.22 0.00 -1.46 0.00 0.00 42.92 39.10 1h20 s ASP 5 CO 0.00 -0.35 1.47 1.55 0.52 0.00 0.00 175.17 178.37 1h20 h PRO 6 N 6.67 0.00 0.00 4.34 0.13 -1.96 -3.36 132.00 137.83 1h20 h PRO 6 Ca -0.41 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1h20 h PRO 6 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1h20 h PRO 6 CO 0.78 0.12 -0.59 0.97 -0.23 0.00 0.00 178.00 179.04 1h20 h ILE 7 N 0.00 0.51 -1.86 -3.56 6.09 -1.93 -3.45 117.51 113.31 1h20 h ILE 7 Ca -0.01 -1.76 -0.64 0.00 -1.37 0.00 0.00 64.86 61.08 1h20 h ILE 7 Cb 1.10 2.16 0.01 0.00 0.47 0.00 0.00 36.82 40.57 1h20 h ILE 7 CO 0.02 0.29 1.14 0.00 -3.07 0.00 0.00 178.15 176.53 1h20 n ASN 9 N 7.21 -0.56 -4.71 0.00 3.02 0.95 -4.94 115.26 116.23 1h20 n ASN 9 Ca 0.26 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.39 1h20 n ASN 9 Cb 0.28 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.56 4.22 -0.04 3.52 2.47 0.40 -4.53 119.74 125.23 1h20 s LYS 10 Ca 0.00 2.31 -0.30 0.00 -1.56 0.00 0.00 55.97 56.42 1h20 s LYS 10 Cb 0.00 -3.31 -0.03 0.00 -1.46 0.00 0.00 37.83 33.03 1h20 s LYS 10 CO 0.00 -0.63 1.19 -2.14 0.16 0.00 0.00 175.35 173.94 1h20 s PRO 11 N 1.62 4.37 0.04 4.03 0.02 -1.26 -1.14 135.00 142.68 1h20 s PRO 11 Ca 0.70 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 63.38 1h20 s PRO 11 Cb -0.41 -3.53 0.01 0.00 0.02 0.00 0.00 34.50 30.58 1h20 s PRO 11 CO 0.31 -0.42 0.09 0.00 -0.33 0.00 0.00 177.00 176.66 1h20 n LYS 13 N -0.06 0.37 -2.72 0.00 4.76 -1.26 -4.05 118.16 115.20 1h20 n LYS 13 Ca -0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 1h20 n LYS 13 Cb 0.07 -0.67 0.08 0.00 -1.84 0.00 0.00 35.03 32.67 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 -1.34 2.27 -0.06 -0.18 -4.23 -1.26 -4.76 115.64 106.08 1h20 s THR 14 Ca 0.00 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.93 1h20 s THR 14 Cb 0.00 -2.55 -0.21 0.00 1.34 0.00 0.00 72.50 71.08 1h20 s THR 14 CO 0.00 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.76 1h20 n HIS 15 N -2.57 0.96 0.32 3.99 1.44 -1.26 -3.32 115.22 114.79 1h20 n HIS 15 Ca 0.14 0.34 0.20 0.00 -2.01 0.00 0.00 57.72 56.39 1h20 n HIS 15 Cb 0.61 -1.16 1.11 0.00 0.12 0.00 0.00 29.99 30.67 1h20 n HIS 15 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1h20 h ASP 16 N 0.00 0.00 0.65 4.39 5.19 -1.97 -2.59 116.42 122.09 1h20 h ASP 16 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1h20 h ASP 16 Cb 1.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.44 1h20 h ASP 16 CO 0.07 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.63 1h20 h ASP 17 N 0.00 0.00 -0.34 6.45 3.32 -1.92 -1.06 116.42 122.87 1h20 h ASP 17 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h20 h ASP 17 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1h20 h ASP 17 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1h20 h SER 19 N 2.20 0.21 0.46 0.00 4.64 -1.32 -0.19 113.55 119.55 1h20 h SER 19 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1h20 h SER 19 Cb 1.29 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1h20 h SER 19 CO 0.18 -0.10 -0.02 0.61 -0.87 0.00 0.00 176.83 176.63 1h20 n GLY 20 N -1.60 -1.19 3.78 -0.77 0.00 -1.26 -4.88 105.19 99.26 1h20 n GLY 20 Ca 0.35 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.48 2.64 -0.05 4.61 0.00 -0.08 -4.98 121.76 121.41 1h20 s ALA 21 Ca 0.31 0.68 0.15 0.00 0.00 0.00 0.00 51.96 53.09 1h20 s ALA 21 Cb 0.20 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.78 1h20 s ALA 21 CO 0.45 -0.91 0.26 -2.67 0.00 0.00 0.00 175.76 172.90 1h20 n TRP 22 N -1.72 0.00 0.00 0.00 4.27 -1.26 -4.78 117.44 113.95 1h20 n TRP 22 Ca 0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.72 1h20 n TRP 22 Cb 0.52 -0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.04 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 -2.14 0.00 -1.42 -2.67 7.35 -1.26 -4.94 117.46 112.38 1h20 n PHE 23 Ca -0.08 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.37 1h20 n PHE 23 Cb 0.53 0.13 -0.08 0.00 0.35 0.00 0.00 39.48 40.41 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 1.13 1.26 -3.91 0.00 3.00 -1.19 -3.46 117.38 114.21 1h20 n GLN 25 Ca 0.48 -0.21 -0.16 0.00 -0.01 0.00 0.00 57.00 57.09 1h20 n GLN 25 Cb 0.61 -1.54 -0.16 0.00 0.00 0.00 0.00 30.24 29.15 1h20 n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1h20 s ALA 26 N -1.14 0.27 -0.28 -1.58 0.00 -0.93 -4.57 121.76 113.54 1h20 s ALA 26 Ca 0.04 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 1h20 s ALA 26 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1h20 s ALA 26 CO 0.01 -0.06 0.32 0.00 0.00 0.00 0.00 175.76 176.03 1h20 s TRP 28 N 1.99 3.09 0.02 0.00 0.52 -0.29 -4.70 118.94 119.57 1h20 s TRP 28 Ca 0.13 1.58 -0.08 0.00 0.02 0.00 0.00 56.10 57.75 1h20 s TRP 28 Cb -0.16 -3.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.81 1h20 s TRP 28 CO 0.10 -1.14 1.12 -0.91 0.02 0.00 0.00 176.95 176.14 1h20 h ASN 29 N 2.49 -0.27 -0.67 2.95 2.35 -1.93 -0.69 115.58 119.81 1h20 h ASN 29 Ca -0.49 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.22 1h20 h ASN 29 Cb 1.23 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 1h20 h ASN 29 CO 0.62 -0.16 0.19 0.77 -1.65 0.00 0.00 177.43 177.20 1h20 h SER 30 N -0.25 1.00 0.42 5.81 4.64 -1.99 -3.10 113.55 120.08 1h20 h SER 30 Ca -0.02 -0.22 -0.31 0.00 -0.47 0.00 0.00 61.79 60.77 1h20 h SER 30 Cb 0.20 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1h20 h SER 30 CO 0.02 0.95 -1.56 0.00 -0.87 0.00 0.00 176.83 175.37 1h20 h ALA 31 N 1.08 0.27 -4.65 5.18 0.00 -1.99 -3.48 119.26 115.67 1h20 h ALA 31 Ca 0.21 -1.12 -0.36 0.00 0.00 0.00 0.00 54.91 53.65 1h20 h ALA 31 Cb 0.33 0.30 0.09 0.00 0.00 0.00 0.00 17.79 18.51 1h20 h ALA 31 CO -0.00 1.13 -0.57 0.54 0.00 0.00 0.00 179.25 180.35 1h20 n ARG 32 N -3.46 -5.70 -4.02 0.00 1.74 -0.26 -5.00 116.66 99.95 1h20 n ARG 32 Ca -0.17 0.78 -0.09 0.00 -0.77 0.00 0.00 57.85 57.60 1h20 n ARG 32 Cb 1.05 -5.50 -0.11 0.00 -1.02 0.00 0.00 32.46 26.88 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 -3.20 0.20 0.24 0.55 -4.23 -1.25 -0.96 115.64 106.98 1h20 s THR 33 Ca 0.39 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 1h20 s THR 33 Cb -0.17 -0.63 -0.12 0.00 1.34 0.00 0.00 72.50 72.92 1h20 s THR 33 CO 0.49 -0.61 1.66 0.00 -0.54 0.00 0.00 174.62 175.61 1h20 s GLY 35 N 0.88 1.06 1.04 0.00 0.00 0.98 -0.04 107.32 111.25 1h20 s GLY 35 Ca 0.71 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.96 1h20 s GLY 35 CO 0.39 -0.87 -0.61 -1.05 0.00 0.00 0.00 173.10 170.96 1h20 n PRO 36 N -0.46 -0.68 0.23 2.90 -0.02 -1.26 -2.19 135.00 133.53 1h20 n PRO 36 Ca -0.00 -0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.38 1h20 n PRO 36 Cb 0.62 -1.38 0.55 0.00 -0.02 0.00 0.00 33.50 33.27 1h20 n PRO 36 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1h20 h TYR 37 N -1.49 0.00 0.00 6.00 5.03 -1.85 -3.38 116.97 121.28 1h20 h TYR 37 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1h20 h TYR 37 Cb 1.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.64 1h20 h TYR 37 CO 0.13 0.23 0.00 1.55 -1.32 0.00 0.00 178.16 178.75 1h20 n VAL 38 N -3.78 0.00 -1.99 1.81 3.14 -1.26 -4.79 118.33 111.46 1h20 n VAL 38 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1h20 n VAL 38 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98