#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 0.00 -0.54 5.31 1.13 -1.26 -4.84 117.38 117.18 1h20 n GLN 2 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1h20 n GLN 2 Cb 0.00 -3.21 0.29 0.00 0.11 0.00 0.00 30.24 27.43 1h20 n GLN 2 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1h20 n HIS 3 N -1.56 1.28 0.98 1.08 1.44 -1.26 -4.61 115.22 112.57 1h20 n HIS 3 Ca 0.00 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.22 1h20 n HIS 3 Cb 0.00 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 29.85 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h20 n ALA 4 N 0.75 2.12 -2.57 1.59 0.00 -1.26 -4.85 120.51 116.29 1h20 n ALA 4 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1h20 n ALA 4 Cb 0.79 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.66 6.52 0.00 0.00 -1.08 -1.26 -4.96 116.67 115.23 1h20 s ASP 5 Ca 0.00 0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.44 1h20 s ASP 5 Cb 0.00 -2.41 1.17 0.00 -1.46 0.00 0.00 42.92 40.22 1h20 s ASP 5 CO 0.00 -0.84 1.75 -0.81 0.52 0.00 0.00 175.17 175.79 1h20 n PRO 6 N 6.65 1.00 -0.08 4.34 -0.04 -1.26 -3.66 135.00 141.96 1h20 n PRO 6 Ca 0.04 -0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1h20 n PRO 6 Cb 0.48 -1.31 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.81 1.21 -1.58 0.52 0.13 -1.26 -4.93 119.36 112.64 1h20 n ILE 7 Ca 0.15 -0.80 -0.52 0.00 -1.10 0.00 0.00 62.75 60.48 1h20 n ILE 7 Cb 0.07 -0.45 -0.06 0.00 -0.84 0.00 0.00 39.64 38.36 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 7.80 -0.52 -4.72 0.00 3.02 0.36 -4.96 115.26 116.24 1h20 n ASN 9 Ca 0.32 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1h20 n ASN 9 Cb 0.22 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.61 4.25 0.17 3.52 2.36 0.52 -4.46 119.74 125.49 1h20 s LYS 10 Ca 0.00 2.28 -0.30 0.00 -2.55 0.00 0.00 55.97 55.40 1h20 s LYS 10 Cb 0.00 -3.16 -0.08 0.00 -1.05 0.00 0.00 37.83 33.54 1h20 s LYS 10 CO 0.00 -0.52 1.21 -2.14 1.55 0.00 0.00 175.35 175.44 1h20 s PRO 11 N 0.75 4.48 0.06 4.03 0.02 -1.26 -0.70 135.00 142.37 1h20 s PRO 11 Ca 0.66 1.88 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 1h20 s PRO 11 Cb -0.42 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 30.88 1h20 s PRO 11 CO 0.34 -0.12 0.31 0.00 -0.33 0.00 0.00 177.00 177.20 1h20 n LYS 13 N -0.22 0.00 -2.20 0.00 4.76 -1.26 -4.29 118.16 114.95 1h20 n LYS 13 Ca -0.01 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1h20 n LYS 13 Cb 0.18 -0.67 0.04 0.00 -1.84 0.00 0.00 35.03 32.73 1h20 n LYS 13 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1h20 n THR 14 N -2.39 0.00 -0.01 -0.18 -2.24 -1.26 -4.71 114.28 103.49 1h20 n THR 14 Ca 0.00 -1.13 -0.13 0.00 -2.27 0.00 0.00 64.05 60.52 1h20 n THR 14 Cb 0.33 -0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.74 1h20 n THR 14 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1h20 h HIS 15 N 0.10 0.17 0.00 4.78 2.07 -1.87 -3.21 115.15 117.19 1h20 h HIS 15 Ca -0.16 -0.12 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 1h20 h HIS 15 Cb 0.72 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 30.69 1h20 h HIS 15 CO 0.00 1.26 -0.12 -0.44 -3.07 0.00 0.00 177.93 175.56 1h20 h ASP 16 N 0.02 0.00 0.39 3.10 3.32 -1.97 -2.05 116.42 119.23 1h20 h ASP 16 Ca -0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1h20 h ASP 16 Cb 2.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.57 1h20 h ASP 16 CO 0.09 0.12 -0.07 -0.78 -1.72 0.00 0.00 179.24 176.87 1h20 h ASP 17 N 0.00 0.00 -0.11 6.45 -0.00 -1.93 -0.15 116.42 120.69 1h20 h ASP 17 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1h20 h ASP 17 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1h20 h ASP 17 CO 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 179.24 179.33 1h20 n SER 19 N 1.31 0.00 0.00 0.00 2.88 -0.07 -1.22 113.62 116.52 1h20 n SER 19 Ca 0.15 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.74 1h20 n SER 19 Cb 0.59 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.32 1h20 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h20 n GLY 20 N 0.00 -0.90 3.73 0.46 0.00 -1.26 -4.83 105.19 102.39 1h20 n GLY 20 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 1.35 0.00 4.61 0.00 -0.36 -4.96 121.76 120.40 1h20 s ALA 21 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1h20 s ALA 21 Cb 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1h20 s ALA 21 CO 0.11 -2.63 0.00 -2.67 0.00 0.00 0.00 175.76 170.56 1h20 n TRP 22 N -4.02 0.00 -0.06 0.00 4.27 -1.26 -4.80 117.44 111.57 1h20 n TRP 22 Ca 0.07 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.62 1h20 n TRP 22 Cb 0.59 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.52 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 -1.41 0.00 -1.13 -2.67 7.35 -1.26 -4.40 117.46 113.94 1h20 n PHE 23 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1h20 n PHE 23 Cb 0.00 -0.33 -0.07 0.00 0.35 0.00 0.00 39.48 39.43 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 1.35 0.81 -4.02 0.00 1.13 -1.23 -3.70 117.38 111.72 1h20 n GLN 25 Ca 0.39 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.35 1h20 n GLN 25 Cb 0.67 -1.09 -0.11 0.00 0.11 0.00 0.00 30.24 29.82 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 -2.00 0.32 -0.24 -1.58 0.00 -1.03 -4.50 121.76 112.73 1h20 s ALA 26 Ca 0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1h20 s ALA 26 Cb 0.03 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1h20 s ALA 26 CO 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 175.76 175.57 1h20 s TRP 28 N 1.28 3.34 0.06 0.00 0.52 -0.99 -4.65 118.94 118.50 1h20 s TRP 28 Ca -0.01 1.61 -0.28 0.00 0.02 0.00 0.00 56.10 57.44 1h20 s TRP 28 Cb -0.17 -3.38 -0.15 0.00 -1.15 0.00 0.00 33.47 28.63 1h20 s TRP 28 CO -0.06 -0.99 1.43 -2.95 0.02 0.00 0.00 176.95 174.40 1h20 h ASN 29 N 3.40 -0.99 -0.41 2.95 7.08 -1.91 -0.50 115.58 125.20 1h20 h ASN 29 Ca -0.48 0.06 -0.08 0.00 -3.08 0.00 0.00 56.30 52.73 1h20 h ASN 29 Cb 1.22 0.30 -0.01 0.00 -2.08 0.00 0.00 38.32 37.74 1h20 h ASN 29 CO 0.65 -0.57 -0.04 0.77 -2.08 0.00 0.00 177.43 176.16 1h20 h SER 30 N -0.90 0.74 0.23 6.14 4.64 -1.99 -3.19 113.55 119.22 1h20 h SER 30 Ca -0.08 -0.33 -0.33 0.00 -0.47 0.00 0.00 61.79 60.58 1h20 h SER 30 Cb 0.74 -0.20 0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1h20 h SER 30 CO 0.06 0.90 -1.41 0.00 -0.87 0.00 0.00 176.83 175.51 1h20 h ALA 31 N 0.87 -0.11 -5.96 5.18 0.00 -1.98 -3.48 119.26 113.78 1h20 h ALA 31 Ca 0.11 -0.83 -0.42 0.00 0.00 0.00 0.00 54.91 53.77 1h20 h ALA 31 Cb 0.55 0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.58 1h20 h ALA 31 CO 0.03 0.70 -0.70 2.89 0.00 0.00 0.00 179.25 182.17 1h20 n ARG 32 N -3.74 -7.35 -3.97 0.00 1.85 -0.20 -5.02 116.66 98.23 1h20 n ARG 32 Ca -0.16 0.77 -0.09 0.00 -1.00 0.00 0.00 57.85 57.37 1h20 n ARG 32 Cb 1.07 -5.79 -0.10 0.00 -1.05 0.00 0.00 32.46 26.59 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1h20 s THR 33 N -3.32 0.13 0.08 8.89 -4.23 -1.25 -1.47 115.64 114.47 1h20 s THR 33 Ca 0.59 -1.07 -0.33 0.00 -1.18 0.00 0.00 61.69 59.71 1h20 s THR 33 Cb -0.27 -0.61 -0.12 0.00 1.34 0.00 0.00 72.50 72.84 1h20 s THR 33 CO 0.76 -0.59 1.78 0.00 -0.54 0.00 0.00 174.62 176.02 1h20 s GLY 35 N 2.56 1.42 0.68 0.00 0.00 0.92 -0.49 107.32 112.41 1h20 s GLY 35 Ca 0.84 -1.69 -0.17 0.00 0.00 0.00 0.00 44.72 43.70 1h20 s GLY 35 CO 0.41 -1.41 0.29 -1.55 0.00 0.00 0.00 173.10 170.84 1h20 n PRO 36 N -0.27 0.26 0.00 2.90 -0.04 -1.25 -2.45 135.00 134.14 1h20 n PRO 36 Ca 0.01 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1h20 n PRO 36 Cb 0.66 -1.58 0.31 0.00 -0.04 0.00 0.00 33.50 32.85 1h20 n PRO 36 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1h20 n TYR 37 N -2.10 0.00 0.00 0.54 9.36 0.04 -4.40 117.16 120.60 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 0.49 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 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 -1.38 0.00 1.50 2.97 0.31 -1.26 -4.84 118.33 115.63 1h20 n VAL 38 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.50 1h20 n VAL 38 Cb 0.13 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 33.77 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12