#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqr n GLY 4 N 1.81 -1.61 2.64 0.00 0.00 -0.80 -4.82 105.19 102.42 1pqr n GLY 4 Ca 0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1pqr n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pqr n PRO 5 N 0.00 2.76 -0.89 1.61 -0.04 -1.26 -4.52 135.00 132.66 1pqr n PRO 5 Ca 0.00 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1pqr n PRO 5 Cb 0.00 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1pqr n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pqr n TYR 6 N 5.22 -0.01 0.00 0.54 4.01 -1.26 -5.20 117.16 120.45 1pqr n TYR 6 Ca 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1pqr n TYR 6 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1pqr n TYR 6 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pqr n ASN 8 N -1.33 0.00 0.00 7.72 2.85 -1.26 -4.80 115.26 118.44 1pqr n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1pqr n ASN 8 Cb 0.00 0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pqr n ALA 9 N -1.59 0.00 0.02 5.20 0.00 -1.26 -4.93 120.51 117.95 1pqr n ALA 9 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1pqr n ALA 9 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1pqr n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqr h ALA 10 N -2.00 0.01 -5.39 0.00 0.00 -1.99 -3.50 119.26 106.39 1pqr h ALA 10 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1pqr h ALA 10 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pqr h ALA 10 CO 0.00 0.35 -0.68 0.00 0.00 0.00 0.00 179.25 178.92 1pqr n HIS 12 N -0.04 0.00 0.00 0.00 8.25 -1.26 -1.91 115.22 120.26 1pqr n HIS 12 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1pqr n HIS 12 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1pqr n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqr h GLY 15 N 0.00 0.00 -4.43 0.00 0.00 -1.97 -3.45 103.07 93.22 1pqr h GLY 15 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1pqr h GLY 15 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.01 1pqr h LYS 17 N 3.07 0.00 -5.18 0.00 1.63 -2.02 -3.44 116.57 110.63 1pqr h LYS 17 Ca -0.44 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 58.70 1pqr h LYS 17 Cb 1.29 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.65 1pqr h LYS 17 CO 0.67 0.48 -0.76 0.14 -3.45 0.00 0.00 179.45 176.54 1pqr s VAL 18 N -1.91 3.09 0.00 2.00 -7.23 -1.26 -4.87 120.40 110.22 1pqr s VAL 18 Ca -0.10 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1pqr s VAL 18 Cb -0.01 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1pqr s VAL 18 CO 0.34 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.23 1pqr n GLY 19 N 4.08 0.42 0.00 2.32 0.00 -1.26 -5.19 105.19 105.55 1pqr n GLY 19 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1pqr n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqr n ARG 20 N -0.90 0.00 0.00 1.61 3.00 -1.26 -4.86 116.66 114.25 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1pqr n ARG 20 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 1pqr n ARG 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1pqr n TYR 23 N 0.00 0.00 0.03 -1.55 0.18 -1.26 -4.51 117.16 110.06 1pqr n TYR 23 Ca 0.00 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.78 1pqr n TYR 23 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pqr n ASP 25 N -2.89 2.01 -0.03 0.00 2.03 -1.26 -4.92 116.55 111.48 1pqr n ASP 25 Ca -0.10 0.06 -0.14 0.00 0.52 0.00 0.00 54.79 55.13 1pqr n ASP 25 Cb 0.84 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 40.61 1pqr n ASP 25 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1pqr h ARG 26 N -0.38 0.14 0.00 -0.67 2.43 -1.89 -3.50 114.38 110.50 1pqr h ARG 26 Ca -0.56 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1pqr h ARG 26 Cb 1.68 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1pqr h ARG 26 CO -0.21 0.81 0.00 0.45 -1.51 0.00 0.00 179.97 179.51 1pqr n SER 28 N -4.60 0.00 0.00 -3.80 2.88 -1.12 -4.09 113.62 102.89 1pqr n SER 28 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1pqr n SER 28 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1pqr n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pqr n GLY 29 N 0.00 -1.48 0.00 0.46 0.00 -0.76 -5.04 105.19 98.37 1pqr n GLY 29 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93