#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 -0.09 -0.21 3.57 0.00 0.00 -1.20 -4.94 105.19 102.33 1pqr n GLY 4 Ca 0.00 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 1pqr n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pqr s PRO 5 N -0.04 3.54 0.00 1.61 0.04 -1.26 -1.82 135.00 137.06 1pqr s PRO 5 Ca 0.00 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 59.70 1pqr s PRO 5 Cb 0.00 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1pqr s PRO 5 CO 0.00 -2.48 0.00 0.66 0.04 0.00 0.00 177.00 175.22 1pqr n TYR 6 N 9.65 0.00 0.00 0.56 4.01 -1.26 -5.05 117.16 125.07 1pqr n TYR 6 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1pqr n TYR 6 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1pqr n TYR 6 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pqr n ASN 8 N 0.00 0.00 0.11 7.72 4.13 -1.26 -4.66 115.26 121.29 1pqr n ASN 8 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1pqr n ASN 8 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pqr h ALA 9 N 0.00 -0.27 -0.02 5.41 0.00 -2.06 -2.97 119.26 119.35 1pqr h ALA 9 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1pqr h ALA 9 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1pqr h ALA 9 CO 0.00 -0.68 -0.59 0.00 0.00 0.00 0.00 179.25 177.99 1pqr h ALA 10 N 0.54 0.98 -1.60 0.00 0.00 -2.01 -3.45 119.26 113.72 1pqr h ALA 10 Ca 0.01 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 1pqr h ALA 10 Cb 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1pqr h ALA 10 CO -0.06 0.73 1.18 0.00 0.00 0.00 0.00 179.25 181.10 1pqr n HIS 12 N 10.37 0.00 0.00 0.00 8.25 -0.76 -4.23 115.22 128.85 1pqr n HIS 12 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1pqr n HIS 12 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.15 0.00 0.00 -1.96 -3.48 103.07 96.48 1pqr h GLY 15 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1pqr h GLY 15 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.56 1pqr n LYS 17 N -4.86 0.00 -3.50 0.00 4.81 -1.26 -4.82 118.16 108.53 1pqr n LYS 17 Ca 0.04 0.46 -0.28 0.00 -0.87 0.00 0.00 58.31 57.67 1pqr n LYS 17 Cb 0.54 -1.05 -0.11 0.00 0.02 0.00 0.00 35.03 34.42 1pqr n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pqr s VAL 18 N -1.26 0.63 0.00 3.15 -7.23 -1.26 -5.00 120.40 109.44 1pqr s VAL 18 Ca 0.00 -2.47 0.00 0.00 -1.81 0.00 0.00 61.98 57.70 1pqr s VAL 18 Cb 0.00 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1pqr s VAL 18 CO 0.00 -1.09 0.00 0.61 -0.31 0.00 0.00 175.10 174.31 1pqr n GLY 19 N 3.26 -1.78 0.00 2.32 0.00 -1.26 -5.16 105.19 102.56 1pqr n GLY 19 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.79 116.66 115.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 0.01 -1.55 4.11 -1.26 -4.53 117.16 113.94 1pqr n TYR 23 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1pqr n TYR 23 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pqr n ASP 25 N -2.90 1.10 0.02 0.00 -0.08 -1.26 -4.83 116.55 108.61 1pqr n ASP 25 Ca -0.12 0.22 -0.19 0.00 -1.51 0.00 0.00 54.79 53.18 1pqr n ASP 25 Cb 0.90 -0.06 -0.11 0.00 2.34 0.00 0.00 41.12 44.18 1pqr n ASP 25 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1pqr h ARG 26 N 0.02 0.50 -0.23 -0.67 3.08 -1.92 -3.50 114.38 111.67 1pqr h ARG 26 Ca -0.41 -0.56 0.18 0.00 0.07 0.00 0.00 59.98 59.26 1pqr h ARG 26 Cb 2.06 0.17 -0.18 0.00 0.08 0.00 0.00 29.97 32.09 1pqr h ARG 26 CO 0.05 1.20 -0.05 -1.12 -1.07 0.00 0.00 179.97 178.98 1pqr s SER 28 N -6.97 -0.36 0.00 7.04 0.01 -1.26 -4.99 113.70 107.17 1pqr s SER 28 Ca -0.12 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1pqr s SER 28 Cb 0.04 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.18 1pqr s SER 28 CO 0.86 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 175.06 1pqr n GLY 29 N 4.52 -2.05 0.72 3.44 0.00 -1.26 -5.16 105.19 105.41 1pqr n GLY 29 Ca 0.08 0.82 0.13 0.00 0.00 0.00 0.00 46.02 47.05 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93