#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 0.07 -2.92 5.31 0.00 -1.26 -4.73 117.38 113.84 1h20 n GLN 2 Ca 0.00 0.26 -0.34 0.00 0.00 0.00 0.00 57.00 56.92 1h20 n GLN 2 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.67 1h20 n GLN 2 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 1h20 s HIS 3 N -2.81 3.46 0.00 2.61 -3.43 -1.26 -3.94 115.29 109.92 1h20 s HIS 3 Ca 0.07 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.86 1h20 s HIS 3 Cb 0.07 -2.77 0.00 0.00 -1.43 0.00 0.00 32.58 28.45 1h20 s HIS 3 CO 0.17 0.07 0.00 0.00 -2.00 0.00 0.00 174.74 172.99 1h20 n ALA 4 N -0.11 0.00 -2.59 -1.38 0.00 -1.26 -5.05 120.51 110.12 1h20 n ALA 4 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1h20 n ALA 4 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.75 6.58 -0.06 0.00 2.15 -1.25 -4.94 116.67 115.39 1h20 s ASP 5 Ca 0.00 0.32 -0.01 0.00 0.43 0.00 0.00 52.55 53.30 1h20 s ASP 5 Cb 0.00 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1h20 s ASP 5 CO 0.00 -1.16 2.10 -0.81 -0.17 0.00 0.00 175.17 175.13 1h20 n PRO 6 N 7.52 1.22 0.00 4.34 -0.04 -1.26 -3.49 135.00 143.29 1h20 n PRO 6 Ca 0.09 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1h20 n PRO 6 Cb 0.49 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.33 0.00 -1.61 0.52 0.13 -1.26 -4.91 119.36 113.56 1h20 n ILE 7 Ca 0.08 0.00 -0.52 0.00 -1.10 0.00 0.00 62.75 61.22 1h20 n ILE 7 Cb 0.54 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.27 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 7.44 -1.95 -4.72 0.00 3.02 0.12 -4.95 115.26 114.21 1h20 n ASN 9 Ca 0.30 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1h20 n ASN 9 Cb 0.22 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.39 4.26 0.14 3.52 2.47 -0.07 -4.50 119.74 125.18 1h20 s LYS 10 Ca 0.00 2.28 -0.30 0.00 -1.56 0.00 0.00 55.97 56.38 1h20 s LYS 10 Cb 0.00 -3.16 -0.07 0.00 -1.46 0.00 0.00 37.83 33.14 1h20 s LYS 10 CO 0.00 -0.51 1.15 -2.14 0.16 0.00 0.00 175.35 174.00 1h20 s PRO 11 N 0.72 4.52 0.03 4.03 0.02 -1.26 -1.13 135.00 141.93 1h20 s PRO 11 Ca 0.66 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 1h20 s PRO 11 Cb -0.42 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 30.83 1h20 s PRO 11 CO 0.34 -0.06 0.28 0.00 -0.33 0.00 0.00 177.00 177.24 1h20 n LYS 13 N -0.20 0.00 -1.82 0.00 4.76 -1.26 -4.28 118.16 115.36 1h20 n LYS 13 Ca -0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1h20 n LYS 13 Cb 0.15 -0.74 0.06 0.00 -1.84 0.00 0.00 35.03 32.66 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 -2.42 0.00 -0.03 -0.18 -2.24 -1.26 -4.74 114.28 103.41 1h20 n THR 14 Ca 0.00 -0.95 -0.10 0.00 -2.27 0.00 0.00 64.05 60.73 1h20 n THR 14 Cb 0.37 -1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 67.44 1h20 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h20 n HIS 15 N -2.13 0.86 0.30 4.78 1.44 -1.26 -3.49 115.22 115.72 1h20 n HIS 15 Ca 0.10 0.30 0.18 0.00 -2.01 0.00 0.00 57.72 56.29 1h20 n HIS 15 Cb 0.34 -1.16 0.85 0.00 0.12 0.00 0.00 29.99 30.15 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 0.43 4.39 3.32 -1.97 -1.48 116.42 121.12 1h20 h ASP 16 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1h20 h ASP 16 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 1h20 h ASP 16 CO 0.07 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.03 1h20 h ASP 17 N 0.00 0.00 -1.73 6.45 3.45 -1.95 -1.40 116.42 121.24 1h20 h ASP 17 Ca 0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 1h20 h ASP 17 Cb 0.24 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 38.63 1h20 h ASP 17 CO 0.00 0.00 -0.27 0.00 -1.57 0.00 0.00 179.24 177.40 1h20 h SER 19 N 2.77 -1.61 -0.05 0.00 0.02 -1.44 -2.35 113.55 110.89 1h20 h SER 19 Ca 0.35 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1h20 h SER 19 Cb 0.66 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1h20 h SER 19 CO 0.99 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1h20 n GLY 20 N -1.40 -0.36 3.69 -3.77 0.00 -1.26 -4.96 105.19 97.13 1h20 n GLY 20 Ca 0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.94 1.35 0.00 4.61 0.00 -0.88 -4.84 121.76 120.06 1h20 s ALA 21 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1h20 s ALA 21 Cb 0.18 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1h20 s ALA 21 CO 0.29 -2.53 0.00 -2.67 0.00 0.00 0.00 175.76 170.85 1h20 n TRP 22 N -4.01 0.00 -0.06 0.00 4.27 -1.26 -4.87 117.44 111.50 1h20 n TRP 22 Ca 0.07 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.55 1h20 n TRP 22 Cb 0.55 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.45 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 -0.92 0.00 -1.22 -2.67 7.35 -1.26 -4.67 117.46 114.07 1h20 n PHE 23 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1h20 n PHE 23 Cb 0.01 -0.46 -0.04 0.00 0.35 0.00 0.00 39.48 39.35 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 0.90 0.83 -3.81 0.00 1.13 -1.17 -3.68 117.38 111.58 1h20 n GLN 25 Ca 0.41 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.30 1h20 n GLN 25 Cb 0.60 -1.00 -0.16 0.00 0.11 0.00 0.00 30.24 29.78 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 -1.99 0.22 -0.47 -1.58 0.00 -0.87 -4.64 121.76 112.42 1h20 s ALA 26 Ca 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1h20 s ALA 26 Cb 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1h20 s ALA 26 CO 0.00 -0.18 0.55 0.00 0.00 0.00 0.00 175.76 176.13 1h20 s TRP 28 N 2.41 2.62 0.05 0.00 0.52 -1.03 -4.69 118.94 118.81 1h20 s TRP 28 Ca 0.14 1.53 -0.28 0.00 0.02 0.00 0.00 56.10 57.51 1h20 s TRP 28 Cb -0.19 -3.38 -0.17 0.00 -1.15 0.00 0.00 33.47 28.58 1h20 s TRP 28 CO 0.13 -1.79 1.48 -0.91 0.02 0.00 0.00 176.95 175.88 1h20 h ASN 29 N 1.30 -0.47 -0.35 2.95 2.35 -1.94 -0.69 115.58 118.73 1h20 h ASN 29 Ca -0.50 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.14 1h20 h ASN 29 Cb 1.27 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.75 1h20 h ASN 29 CO 0.57 -0.23 0.02 0.77 -1.65 0.00 0.00 177.43 176.91 1h20 h SER 30 N -0.69 0.60 0.55 5.81 4.64 -1.99 -3.20 113.55 119.27 1h20 h SER 30 Ca -0.06 -0.29 -0.29 0.00 -0.47 0.00 0.00 61.79 60.68 1h20 h SER 30 Cb 0.50 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1h20 h SER 30 CO 0.09 0.74 -1.47 0.00 -0.87 0.00 0.00 176.83 175.32 1h20 h ALA 31 N 0.88 0.37 -3.27 5.18 0.00 -1.98 -3.48 119.26 116.96 1h20 h ALA 31 Ca 0.10 -1.14 -0.40 0.00 0.00 0.00 0.00 54.91 53.47 1h20 h ALA 31 Cb 0.42 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1h20 h ALA 31 CO 0.01 1.24 -0.53 0.54 0.00 0.00 0.00 179.25 180.51 1h20 n ARG 32 N -3.37 -2.16 -4.01 0.00 1.74 -0.26 -5.00 116.66 103.60 1h20 n ARG 32 Ca -0.14 0.97 -0.09 0.00 -0.77 0.00 0.00 57.85 57.82 1h20 n ARG 32 Cb 1.03 -5.66 -0.11 0.00 -1.02 0.00 0.00 32.46 26.70 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 -3.03 0.18 -0.26 0.55 -4.23 -1.26 -0.66 115.64 106.93 1h20 s THR 33 Ca 0.04 -1.13 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 1h20 s THR 33 Cb -0.02 -0.58 -0.08 0.00 1.34 0.00 0.00 72.50 73.16 1h20 s THR 33 CO 0.05 -0.60 2.18 0.00 -0.54 0.00 0.00 174.62 175.71 1h20 s GLY 35 N 7.58 2.58 0.89 0.00 0.00 0.25 0.10 107.32 118.72 1h20 s GLY 35 Ca 1.04 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 1h20 s GLY 35 CO 0.42 -1.78 0.86 -1.55 0.00 0.00 0.00 173.10 171.05 1h20 n PRO 36 N -0.87 -0.21 0.00 2.90 -0.04 -1.26 -2.06 135.00 133.46 1h20 n PRO 36 Ca -0.04 -0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 1h20 n PRO 36 Cb 0.65 -2.17 0.24 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.69 0.00 0.00 0.54 9.36 -0.98 -4.45 117.16 117.94 1h20 n TYR 37 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1h20 n TYR 37 Cb 0.52 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 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 -1.23 0.00 1.27 2.97 0.31 -1.26 -4.83 118.33 115.56 1h20 n VAL 38 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.48 1h20 n VAL 38 Cb 0.06 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.59 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12