#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 s GLN 2 N 0.00 0.57 -1.24 3.44 1.03 -1.26 -5.10 119.66 117.10 1h20 s GLN 2 Ca 0.00 0.33 -0.14 0.00 0.04 0.00 0.00 55.36 55.59 1h20 s GLN 2 Cb 0.00 0.20 0.15 0.00 0.03 0.00 0.00 33.01 33.39 1h20 s GLN 2 CO 0.00 -0.99 1.53 0.72 -2.54 0.00 0.00 175.29 174.01 1h20 n HIS 3 N 5.14 4.78 0.77 9.60 8.25 -1.26 -4.83 115.22 137.68 1h20 n HIS 3 Ca 0.07 -3.22 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 1h20 n HIS 3 Cb 0.55 -2.27 0.00 0.00 1.12 0.00 0.00 29.99 29.39 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h20 n ALA 4 N 6.08 1.98 -2.59 -1.41 0.00 -1.26 -4.67 120.51 118.64 1h20 n ALA 4 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1h20 n ALA 4 Cb 0.43 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1h20 n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h20 s ASP 5 N -0.61 7.36 0.00 0.00 1.01 -1.26 -4.89 116.67 118.28 1h20 s ASP 5 Ca 0.00 1.73 0.00 0.00 0.71 0.00 0.00 52.55 54.99 1h20 s ASP 5 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1h20 s ASP 5 CO 0.00 -0.25 1.64 -0.81 0.21 0.00 0.00 175.17 175.97 1h20 n PRO 6 N 3.68 0.98 0.00 8.23 -0.04 -1.26 -1.70 135.00 144.89 1h20 n PRO 6 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1h20 n PRO 6 Cb 0.50 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.19 0.00 -1.65 0.52 0.13 -1.26 -5.05 119.36 113.23 1h20 n ILE 7 Ca 0.00 0.00 -0.47 0.00 -1.10 0.00 0.00 62.75 61.18 1h20 n ILE 7 Cb 0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.24 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 7.62 -2.39 -4.69 0.00 3.02 0.11 -4.96 115.26 113.97 1h20 n ASN 9 Ca 0.25 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1h20 n ASN 9 Cb 0.32 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.90 4.22 -0.07 3.52 2.47 0.01 -4.45 119.74 124.55 1h20 s LYS 10 Ca 0.00 2.22 -0.30 0.00 -1.56 0.00 0.00 55.97 56.33 1h20 s LYS 10 Cb 0.00 -3.59 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1h20 s LYS 10 CO 0.00 -0.68 1.09 -2.14 0.16 0.00 0.00 175.35 173.77 1h20 s PRO 11 N 2.56 4.41 0.00 4.03 0.02 -1.26 -0.62 135.00 144.14 1h20 s PRO 11 Ca 0.71 1.52 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1h20 s PRO 11 Cb -0.37 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1h20 s PRO 11 CO 0.30 -0.34 0.00 0.00 -0.33 0.00 0.00 177.00 176.64 1h20 n LYS 13 N 0.00 0.06 -2.72 0.00 4.76 -1.26 -4.24 118.16 114.76 1h20 n LYS 13 Ca 0.00 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 1h20 n LYS 13 Cb 0.00 -0.78 0.09 0.00 -1.84 0.00 0.00 35.03 32.50 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 -2.05 2.22 -0.19 -0.18 -4.23 -1.26 -4.68 115.64 105.27 1h20 s THR 14 Ca -0.03 -0.71 0.21 0.00 -1.18 0.00 0.00 61.69 59.97 1h20 s THR 14 Cb 0.01 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.28 1h20 s THR 14 CO 0.05 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.06 1h20 n HIS 15 N -2.61 0.87 0.23 3.99 1.44 -1.26 -3.46 115.22 114.41 1h20 n HIS 15 Ca 0.14 0.26 0.07 0.00 -2.01 0.00 0.00 57.72 56.18 1h20 n HIS 15 Cb 0.61 -0.94 0.57 0.00 0.12 0.00 0.00 29.99 30.34 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 0.03 0.27 4.39 5.19 -1.97 -1.66 116.42 122.67 1h20 h ASP 16 Ca -0.04 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1h20 h ASP 16 Cb 1.14 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1h20 h ASP 16 CO 0.01 0.10 -0.40 -0.78 -3.12 0.00 0.00 179.24 175.05 1h20 h ASP 17 N 0.03 0.18 -0.86 6.45 3.58 -1.94 -2.29 116.42 121.58 1h20 h ASP 17 Ca 0.01 -0.07 -0.43 0.00 0.42 0.00 0.00 57.03 56.95 1h20 h ASP 17 Cb 0.14 -0.05 -0.26 0.00 1.72 0.00 0.00 39.33 40.88 1h20 h ASP 17 CO 0.01 0.57 0.55 0.00 -2.88 0.00 0.00 179.24 177.49 1h20 h SER 19 N 1.02 0.26 0.32 0.00 4.64 -1.15 -1.83 113.55 116.82 1h20 h SER 19 Ca 0.54 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1h20 h SER 19 Cb 2.62 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 64.82 1h20 h SER 19 CO 0.95 0.07 -0.01 0.61 -0.87 0.00 0.00 176.83 177.58 1h20 n GLY 20 N -1.33 -1.12 3.76 -0.77 0.00 -1.26 -4.90 105.19 99.57 1h20 n GLY 20 Ca 0.16 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.33 2.51 -0.11 4.61 0.00 -0.69 -4.99 121.76 120.76 1h20 s ALA 21 Ca 0.36 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.12 1h20 s ALA 21 Cb 0.21 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.84 1h20 s ALA 21 CO 0.42 -1.17 0.02 -2.67 0.00 0.00 0.00 175.76 172.36 1h20 n TRP 22 N -2.02 0.00 0.05 0.00 4.27 -1.26 -4.75 117.44 113.73 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 0.51 -0.54 0.00 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.48 -0.10 -1.30 -2.67 -0.00 -1.26 -4.83 117.46 104.82 1h20 n PHE 23 Ca -0.19 0.02 -0.26 0.00 -0.00 0.00 0.00 57.45 57.02 1h20 n PHE 23 Cb 0.85 0.03 -0.09 0.00 -0.00 0.00 0.00 39.48 40.26 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1h20 n GLN 25 N 2.36 0.87 -4.12 0.00 1.13 -1.04 -3.45 117.38 113.13 1h20 n GLN 25 Ca 0.56 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.47 1h20 n GLN 25 Cb 0.58 -1.47 -0.14 0.00 0.11 0.00 0.00 30.24 29.32 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 0.39 -0.39 -1.58 0.00 -0.67 -4.60 121.76 112.91 1h20 s ALA 26 Ca 0.40 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1h20 s ALA 26 Cb 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1h20 s ALA 26 CO 0.30 0.09 0.30 0.00 0.00 0.00 0.00 175.76 176.45 1h20 s TRP 28 N 1.75 2.60 0.01 0.00 0.52 -0.46 -4.40 118.94 118.95 1h20 s TRP 28 Ca 0.06 1.51 -0.04 0.00 0.02 0.00 0.00 56.10 57.65 1h20 s TRP 28 Cb -0.18 -3.46 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 1h20 s TRP 28 CO 0.11 -1.95 1.06 -2.95 0.02 0.00 0.00 176.95 173.23 1h20 h ASN 29 N 1.44 -0.14 -0.23 2.95 7.08 -1.91 -1.31 115.58 123.46 1h20 h ASN 29 Ca -0.50 0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 52.65 1h20 h ASN 29 Cb 1.27 0.04 -0.00 0.00 -2.08 0.00 0.00 38.32 37.55 1h20 h ASN 29 CO 0.58 -0.07 -0.17 0.77 -2.08 0.00 0.00 177.43 176.45 1h20 h SER 30 N -0.12 0.55 0.79 6.14 4.64 -2.00 -3.27 113.55 120.29 1h20 h SER 30 Ca -0.01 -0.44 -0.25 0.00 -0.47 0.00 0.00 61.79 60.62 1h20 h SER 30 Cb 0.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1h20 h SER 30 CO 0.00 0.87 -1.16 0.00 -0.87 0.00 0.00 176.83 175.68 1h20 h ALA 31 N 0.69 0.24 -3.38 5.18 0.00 -1.98 -3.47 119.26 116.54 1h20 h ALA 31 Ca 0.05 -0.92 -0.41 0.00 0.00 0.00 0.00 54.91 53.62 1h20 h ALA 31 Cb 0.69 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1h20 h ALA 31 CO 0.04 1.13 -0.55 0.54 0.00 0.00 0.00 179.25 180.41 1h20 n ARG 32 N -3.43 -2.46 -4.04 0.00 1.74 -0.49 -4.97 116.66 103.00 1h20 n ARG 32 Ca -0.05 0.98 -0.10 0.00 -0.77 0.00 0.00 57.85 57.91 1h20 n ARG 32 Cb 0.99 -5.69 -0.11 0.00 -1.02 0.00 0.00 32.46 26.62 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 -3.07 0.33 0.06 0.55 -4.23 -1.26 -0.93 115.64 107.09 1h20 s THR 33 Ca 0.07 -1.19 -0.31 0.00 -1.18 0.00 0.00 61.69 59.09 1h20 s THR 33 Cb -0.03 -0.69 -0.10 0.00 1.34 0.00 0.00 72.50 73.02 1h20 s THR 33 CO 0.09 -0.56 1.93 0.00 -0.54 0.00 0.00 174.62 175.54 1h20 n GLY 35 N 4.44 2.95 3.65 0.00 0.00 0.13 0.05 105.19 116.41 1h20 n GLY 35 Ca 0.20 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1h20 n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h20 n PRO 36 N -0.13 1.52 -2.21 1.61 -0.04 -1.26 -1.67 135.00 132.83 1h20 n PRO 36 Ca 0.00 0.55 -0.40 0.00 -0.04 0.00 0.00 63.50 63.61 1h20 n PRO 36 Cb 0.14 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1h20 n PRO 36 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1h20 s TYR 37 N -1.27 1.93 -1.20 0.54 5.04 -0.98 -4.32 117.35 117.09 1h20 s TYR 37 Ca 0.64 0.55 -0.14 0.00 -2.44 0.00 0.00 57.07 55.69 1h20 s TYR 37 Cb -0.52 -4.26 0.18 0.00 0.35 0.00 0.00 41.96 37.71 1h20 s TYR 37 CO 0.56 -2.24 1.42 0.14 -1.34 0.00 0.00 175.55 174.08 1h20 s VAL 38 N 7.60 5.08 0.00 3.14 -7.23 -1.26 -5.03 120.40 122.70 1h20 s VAL 38 Ca 0.59 -2.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1h20 s VAL 38 Cb -0.12 -4.90 0.00 0.00 0.56 0.00 0.00 36.38 31.92 1h20 s VAL 38 CO 0.22 -1.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.02