#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 0.68 -0.82 3.44 -0.00 -1.26 -3.53 117.38 115.90 1h20 n GLN 2 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.98 1h20 n GLN 2 Cb 0.00 -1.11 -0.02 0.00 -0.00 0.00 0.00 30.24 29.11 1h20 n GLN 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1h20 n HIS 3 N -0.61 0.00 -0.48 2.61 1.44 -1.26 -4.93 115.22 111.99 1h20 n HIS 3 Ca 0.04 -0.25 -0.03 0.00 -2.01 0.00 0.00 57.72 55.47 1h20 n HIS 3 Cb 0.02 0.23 -0.04 0.00 0.12 0.00 0.00 29.99 30.32 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 0.07 3.85 -2.57 1.59 0.00 -1.23 -4.88 120.51 117.34 1h20 n ALA 4 Ca -0.09 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1h20 n ALA 4 Cb 0.70 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 2.08 7.33 0.00 0.00 -1.08 -1.26 -4.98 116.67 118.76 1h20 s ASP 5 Ca 0.15 1.76 0.12 0.00 -0.52 0.00 0.00 52.55 54.07 1h20 s ASP 5 Cb 0.07 -2.58 0.39 0.00 -1.46 0.00 0.00 42.92 39.35 1h20 s ASP 5 CO 0.00 -0.27 1.31 -0.81 0.52 0.00 0.00 175.17 175.92 1h20 n PRO 6 N 3.69 1.77 -0.02 4.34 -0.04 -1.26 -4.12 135.00 139.36 1h20 n PRO 6 Ca 0.06 -1.19 0.04 0.00 -0.04 0.00 0.00 63.50 62.36 1h20 n PRO 6 Cb 0.50 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.46 0.22 -1.57 0.52 0.13 -1.26 -4.99 119.36 112.87 1h20 n ILE 7 Ca 0.12 -0.38 -0.53 0.00 -1.10 0.00 0.00 62.75 60.86 1h20 n ILE 7 Cb 0.29 -0.02 -0.07 0.00 -0.84 0.00 0.00 39.64 39.00 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 7.79 -1.86 -4.72 0.00 3.02 -0.16 -4.97 115.26 114.37 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 0.20 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.44 4.27 -0.03 3.52 2.47 0.22 -4.53 119.74 125.21 1h20 s LYS 10 Ca 0.00 2.24 -0.30 0.00 -1.56 0.00 0.00 55.97 56.35 1h20 s LYS 10 Cb 0.00 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 1h20 s LYS 10 CO 0.00 -0.51 1.19 -2.14 0.16 0.00 0.00 175.35 174.06 1h20 s PRO 11 N 0.88 4.37 0.00 4.03 0.02 -1.26 -0.95 135.00 142.10 1h20 s PRO 11 Ca 0.66 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1h20 s PRO 11 Cb -0.41 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1h20 s PRO 11 CO 0.33 -0.40 0.00 0.00 -0.33 0.00 0.00 177.00 176.60 1h20 n LYS 13 N 0.00 0.00 -1.93 0.00 3.00 -1.26 -4.18 118.16 113.78 1h20 n LYS 13 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1h20 n LYS 13 Cb 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 35.03 34.49 1h20 n LYS 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1h20 n THR 14 N -1.89 0.00 -0.03 3.15 -2.24 -1.26 -4.60 114.28 107.41 1h20 n THR 14 Ca 0.00 -1.02 -0.09 0.00 -2.27 0.00 0.00 64.05 60.67 1h20 n THR 14 Cb 0.15 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.30 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 -2.07 0.94 0.29 4.78 1.44 -1.26 -3.01 115.22 116.33 1h20 n HIS 15 Ca 0.10 0.34 0.16 0.00 -2.01 0.00 0.00 57.72 56.30 1h20 n HIS 15 Cb 0.35 -1.17 0.90 0.00 0.12 0.00 0.00 29.99 30.19 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 0.69 4.39 5.19 -1.96 -1.67 116.42 123.05 1h20 h ASP 16 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1h20 h ASP 16 Cb 2.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.54 1h20 h ASP 16 CO 0.08 0.04 0.00 0.44 -3.12 0.00 0.00 179.24 176.67 1h20 h ASP 17 N 0.00 0.00 -0.84 6.45 3.32 -1.93 -0.94 116.42 122.49 1h20 h ASP 17 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1h20 h ASP 17 Cb 0.11 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.26 1h20 h ASP 17 CO 0.00 0.00 -0.56 0.00 -1.72 0.00 0.00 179.24 176.96 1h20 h SER 19 N 2.19 -0.49 0.63 0.00 4.64 -1.23 -2.50 113.55 116.78 1h20 h SER 19 Ca 0.40 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1h20 h SER 19 Cb 1.39 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1h20 h SER 19 CO 0.89 -0.17 -0.03 0.61 -0.87 0.00 0.00 176.83 177.25 1h20 n GLY 20 N -1.36 -1.28 3.63 -0.77 0.00 -1.26 -4.88 105.19 99.27 1h20 n GLY 20 Ca 0.04 -0.16 -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 -2.66 0.63 0.00 4.61 0.00 -0.94 -5.01 121.76 118.38 1h20 s ALA 21 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1h20 s ALA 21 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1h20 s ALA 21 CO 0.49 -3.07 0.00 -2.67 0.00 0.00 0.00 175.76 170.51 1h20 n TRP 22 N -4.35 0.00 -0.03 0.00 4.27 -1.26 -4.81 117.44 111.26 1h20 n TRP 22 Ca 0.05 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.61 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 -0.78 0.00 -0.98 -2.67 7.35 -1.26 -4.61 117.46 114.51 1h20 n PHE 23 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 1h20 n PHE 23 Cb 0.04 -0.25 -0.04 0.00 0.35 0.00 0.00 39.48 39.58 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 1.25 0.85 -3.69 0.00 1.13 -1.18 -3.66 117.38 112.08 1h20 n GLN 25 Ca 0.31 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.19 1h20 n GLN 25 Cb 0.64 -1.12 -0.17 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.71 0.13 -0.31 -1.58 0.00 -0.97 -4.60 121.76 112.72 1h20 s ALA 26 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 1h20 s ALA 26 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1h20 s ALA 26 CO 0.00 -0.41 0.78 0.00 0.00 0.00 0.00 175.76 176.14 1h20 s TRP 28 N 2.96 3.33 0.08 0.00 0.52 -0.09 -4.59 118.94 121.16 1h20 s TRP 28 Ca 0.32 1.55 -0.36 0.00 0.02 0.00 0.00 56.10 57.62 1h20 s TRP 28 Cb -0.14 -3.47 -0.18 0.00 -1.15 0.00 0.00 33.47 28.53 1h20 s TRP 28 CO 0.13 -1.19 1.56 -0.91 0.02 0.00 0.00 176.95 176.56 1h20 h ASN 29 N 3.77 -1.35 -0.28 2.95 4.21 -1.90 -0.36 115.58 122.61 1h20 h ASN 29 Ca -0.47 0.10 -0.05 0.00 1.21 0.00 0.00 56.30 57.09 1h20 h ASN 29 Cb 1.22 0.43 -0.01 0.00 -1.12 0.00 0.00 38.32 38.84 1h20 h ASN 29 CO 0.67 -0.71 -0.00 0.77 -1.29 0.00 0.00 177.43 176.88 1h20 h SER 30 N -1.09 0.49 0.69 5.81 4.64 -1.98 -3.17 113.55 118.94 1h20 h SER 30 Ca -0.08 -0.31 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 1h20 h SER 30 Cb 0.92 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1h20 h SER 30 CO -0.00 0.68 -1.27 0.00 -0.87 0.00 0.00 176.83 175.36 1h20 h ALA 31 N 0.83 0.26 -2.87 5.18 0.00 -1.98 -3.48 119.26 117.20 1h20 h ALA 31 Ca 0.08 -0.99 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 1h20 h ALA 31 Cb 0.43 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1h20 h ALA 31 CO 0.01 1.14 -0.42 0.54 0.00 0.00 0.00 179.25 180.52 1h20 n ARG 32 N -3.43 -2.61 -4.05 0.00 1.74 -0.15 -5.02 116.66 103.15 1h20 n ARG 32 Ca -0.08 0.69 -0.08 0.00 -0.77 0.00 0.00 57.85 57.60 1h20 n ARG 32 Cb 1.01 -5.02 -0.10 0.00 -1.02 0.00 0.00 32.46 27.33 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 -2.90 0.18 -0.80 0.55 -4.23 -1.24 -0.86 115.64 106.35 1h20 s THR 33 Ca 0.13 -1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1h20 s THR 33 Cb -0.06 -1.15 -0.14 0.00 1.34 0.00 0.00 72.50 72.49 1h20 s THR 33 CO 0.16 -0.84 2.40 0.00 -0.54 0.00 0.00 174.62 175.81 1h20 s GLY 35 N 10.82 1.84 0.79 0.00 0.00 0.35 -0.99 107.32 120.13 1h20 s GLY 35 Ca 0.92 -1.43 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 1h20 s GLY 35 CO 0.08 -1.13 1.19 2.56 0.00 0.00 0.00 173.10 175.80 1h20 s PRO 36 N -4.74 1.80 0.00 2.90 0.04 -1.26 -2.29 135.00 131.46 1h20 s PRO 36 Ca 0.58 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1h20 s PRO 36 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1h20 s PRO 36 CO 0.38 -2.08 0.54 0.98 0.04 0.00 0.00 177.00 176.86 1h20 n TYR 37 N -3.17 0.00 0.00 0.56 9.36 0.12 -4.37 117.16 119.66 1h20 n TYR 37 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1h20 n TYR 37 Cb 0.51 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 -0.47 0.00 -0.32 2.97 0.31 -1.26 -4.88 118.33 114.68 1h20 n VAL 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1h20 n VAL 38 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12