#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 0.15 0.00 5.31 6.02 -1.26 -4.35 117.38 123.25 1h20 n GLN 2 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1h20 n GLN 2 Cb 0.00 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1h20 n GLN 2 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1h20 n HIS 3 N -2.04 0.00 0.00 1.08 1.44 -1.26 -5.06 115.22 109.38 1h20 n HIS 3 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1h20 n HIS 3 Cb 0.24 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.82 0.00 -2.49 1.59 0.00 -1.26 -4.92 120.51 112.61 1h20 n ALA 4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1h20 n ALA 4 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.70 7.04 0.22 0.00 -1.08 -1.26 -4.93 116.67 115.95 1h20 s ASP 5 Ca 0.00 1.72 0.22 0.00 -0.52 0.00 0.00 52.55 53.97 1h20 s ASP 5 Cb 0.00 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.83 1h20 s ASP 5 CO 0.00 -0.63 1.68 -0.81 0.52 0.00 0.00 175.17 175.93 1h20 n PRO 6 N 5.67 0.17 0.04 4.34 -0.04 -1.26 -3.64 135.00 140.27 1h20 n PRO 6 Ca 0.12 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 1h20 n PRO 6 Cb 0.46 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.13 0.61 -1.66 0.52 0.13 -1.26 -4.95 119.36 110.63 1h20 n ILE 7 Ca 0.02 -0.59 -0.54 0.00 -1.10 0.00 0.00 62.75 60.55 1h20 n ILE 7 Cb 0.23 -0.33 -0.06 0.00 -0.84 0.00 0.00 39.64 38.63 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 6.58 -2.75 -4.69 0.00 3.02 0.63 -4.96 115.26 113.09 1h20 n ASN 9 Ca 0.28 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.41 1h20 n ASN 9 Cb 0.20 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.49 4.21 -0.10 3.52 2.47 -0.02 -4.47 119.74 124.86 1h20 s LYS 10 Ca 0.00 2.30 -0.30 0.00 -1.56 0.00 0.00 55.97 56.41 1h20 s LYS 10 Cb 0.00 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1h20 s LYS 10 CO 0.00 -0.71 1.14 -2.14 0.16 0.00 0.00 175.35 173.80 1h20 s PRO 11 N 2.51 4.35 0.00 4.03 0.02 -1.26 -0.67 135.00 143.97 1h20 s PRO 11 Ca 0.73 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1h20 s PRO 11 Cb -0.39 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.54 1h20 s PRO 11 CO 0.32 -0.46 0.00 0.00 -0.33 0.00 0.00 177.00 176.53 1h20 n LYS 13 N 0.00 1.19 -3.36 0.00 4.76 -1.26 -4.09 118.16 115.39 1h20 n LYS 13 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1h20 n LYS 13 Cb 0.00 -0.83 0.04 0.00 -1.84 0.00 0.00 35.03 32.40 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 -1.66 1.86 -0.13 -0.18 -4.23 -1.26 -4.77 115.64 105.27 1h20 s THR 14 Ca 0.00 -1.18 0.18 0.00 -1.18 0.00 0.00 61.69 59.51 1h20 s THR 14 Cb 0.00 -2.05 -0.18 0.00 1.34 0.00 0.00 72.50 71.62 1h20 s THR 14 CO 0.00 0.00 0.67 0.00 -0.54 0.00 0.00 174.62 174.75 1h20 n HIS 15 N -2.11 0.69 0.26 3.99 1.44 -1.26 -3.36 115.22 114.87 1h20 n HIS 15 Ca 0.10 0.23 0.11 0.00 -2.01 0.00 0.00 57.72 56.14 1h20 n HIS 15 Cb 0.63 -0.98 0.72 0.00 0.12 0.00 0.00 29.99 30.47 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 0.60 4.39 5.19 -1.97 -1.39 116.42 123.24 1h20 h ASP 16 Ca -0.19 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.19 1h20 h ASP 16 Cb 1.57 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.08 1h20 h ASP 16 CO 0.03 0.08 -0.13 0.44 -3.12 0.00 0.00 179.24 176.54 1h20 h ASP 17 N 0.00 0.00 -0.47 6.45 3.45 -1.95 -1.03 116.42 122.87 1h20 h ASP 17 Ca -0.00 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.32 1h20 h ASP 17 Cb 0.16 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.85 1h20 h ASP 17 CO 0.01 0.13 0.10 0.00 -1.57 0.00 0.00 179.24 177.90 1h20 h SER 19 N 1.84 0.32 0.34 0.00 4.64 -1.12 -1.16 113.55 118.40 1h20 h SER 19 Ca 0.17 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1h20 h SER 19 Cb 1.86 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1h20 h SER 19 CO 0.47 0.05 -0.01 0.61 -0.87 0.00 0.00 176.83 177.09 1h20 n GLY 20 N -1.55 -1.15 3.73 -0.77 0.00 -1.26 -4.88 105.19 99.31 1h20 n GLY 20 Ca 0.25 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.35 1.39 0.00 4.61 0.00 -0.44 -4.84 121.76 120.13 1h20 s ALA 21 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1h20 s ALA 21 Cb 0.21 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1h20 s ALA 21 CO 0.43 -2.52 0.00 -2.67 0.00 0.00 0.00 175.76 171.00 1h20 n TRP 22 N -3.95 0.00 -0.01 0.00 4.27 -1.26 -4.84 117.44 111.65 1h20 n TRP 22 Ca 0.06 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.65 1h20 n TRP 22 Cb 0.58 0.00 -0.01 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 -0.52 0.00 -1.19 -2.67 7.35 -1.26 -4.73 117.46 114.44 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 -0.11 -0.10 0.00 0.35 0.00 0.00 39.48 39.61 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 1.64 0.80 -4.12 0.00 1.13 -1.11 -3.29 117.38 112.42 1h20 n GLN 25 Ca 0.43 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.34 1h20 n GLN 25 Cb 0.72 -1.20 -0.14 0.00 0.11 0.00 0.00 30.24 29.74 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 0.40 -0.33 -1.58 0.00 -0.86 -4.66 121.76 112.73 1h20 s ALA 26 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 1h20 s ALA 26 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1h20 s ALA 26 CO 0.12 0.08 0.15 0.00 0.00 0.00 0.00 175.76 176.11 1h20 s TRP 28 N 1.56 3.16 0.03 0.00 0.52 -0.68 -4.56 118.94 118.97 1h20 s TRP 28 Ca 0.03 1.50 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 1h20 s TRP 28 Cb -0.18 -3.56 -0.05 0.00 -1.15 0.00 0.00 33.47 28.53 1h20 s TRP 28 CO 0.05 -1.51 1.17 -0.91 0.02 0.00 0.00 176.95 175.78 1h20 h ASN 29 N 3.37 -0.44 -0.48 2.95 2.35 -1.90 -0.31 115.58 121.11 1h20 h ASN 29 Ca -0.48 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.22 1h20 h ASN 29 Cb 1.22 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1h20 h ASN 29 CO 0.65 -0.20 -0.03 0.77 -1.65 0.00 0.00 177.43 176.97 1h20 h SER 30 N -0.30 0.86 0.77 5.81 4.64 -1.99 -3.08 113.55 120.26 1h20 h SER 30 Ca -0.02 -0.32 -0.25 0.00 -0.47 0.00 0.00 61.79 60.73 1h20 h SER 30 Cb 0.27 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1h20 h SER 30 CO -0.03 0.98 -1.19 0.00 -0.87 0.00 0.00 176.83 175.72 1h20 h ALA 31 N 0.91 0.27 -3.95 5.18 0.00 -1.98 -3.47 119.26 116.22 1h20 h ALA 31 Ca 0.13 -0.95 -0.41 0.00 0.00 0.00 0.00 54.91 53.68 1h20 h ALA 31 Cb 0.56 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1h20 h ALA 31 CO 0.03 1.15 -0.59 0.54 0.00 0.00 0.00 179.25 180.39 1h20 n ARG 32 N -3.41 -3.79 -3.98 0.00 1.74 -0.13 -5.00 116.66 102.08 1h20 n ARG 32 Ca -0.06 0.96 -0.10 0.00 -0.77 0.00 0.00 57.85 57.88 1h20 n ARG 32 Cb 0.99 -5.76 -0.11 0.00 -1.02 0.00 0.00 32.46 26.56 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 -3.14 0.15 0.18 0.55 -4.23 -1.25 -0.49 115.64 107.41 1h20 s THR 33 Ca 0.20 -0.87 -0.32 0.00 -1.18 0.00 0.00 61.69 59.52 1h20 s THR 33 Cb -0.09 -0.29 -0.11 0.00 1.34 0.00 0.00 72.50 73.35 1h20 s THR 33 CO 0.24 -0.45 1.74 0.00 -0.54 0.00 0.00 174.62 175.61 1h20 n GLY 35 N 4.03 2.53 3.51 0.00 0.00 0.59 -0.27 105.19 115.58 1h20 n GLY 35 Ca 0.16 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.31 0.31 0.25 1.61 -0.04 -1.26 -2.02 135.00 133.54 1h20 n PRO 36 Ca 0.00 0.15 0.17 0.00 -0.04 0.00 0.00 63.50 63.78 1h20 n PRO 36 Cb 0.32 -1.96 0.71 0.00 -0.04 0.00 0.00 33.50 32.52 1h20 n PRO 36 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1h20 h TYR 37 N -0.45 0.00 0.00 0.54 3.20 -1.83 -3.38 116.97 115.05 1h20 h TYR 37 Ca -0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1h20 h TYR 37 Cb 1.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1h20 h TYR 37 CO 0.37 0.00 0.00 1.55 -1.64 0.00 0.00 178.16 178.44 1h20 n VAL 38 N -2.91 0.00 1.99 1.81 3.14 -1.26 -4.75 118.33 116.35 1h20 n VAL 38 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 1h20 n VAL 38 Cb 0.26 0.00 0.94 0.00 -1.06 0.00 0.00 33.84 33.98 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98