#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 1.72 0.81 3.57 0.00 0.00 -0.26 -4.93 105.19 106.09 1pqr n GLY 4 Ca 0.00 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.11 3.42 0.00 1.61 0.04 -1.26 -4.31 135.00 133.39 1pqr s PRO 5 Ca 0.00 -1.28 0.00 0.00 0.04 0.00 0.00 61.00 59.76 1pqr s PRO 5 Cb 0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1pqr s PRO 5 CO 0.00 -2.62 0.00 0.66 0.04 0.00 0.00 177.00 175.08 1pqr n TYR 6 N 10.18 0.00 0.00 0.56 4.01 -1.26 -5.10 117.16 125.55 1pqr n TYR 6 Ca 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1pqr n TYR 6 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.00 0.00 0.01 7.72 2.85 -1.26 -2.77 115.26 121.81 1pqr n ASN 8 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1pqr n ASN 8 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pqr h ALA 9 N 0.00 0.59 -6.44 5.20 0.00 -2.05 -3.49 119.26 113.07 1pqr h ALA 9 Ca 0.00 -1.30 -0.49 0.00 0.00 0.00 0.00 54.91 53.13 1pqr h ALA 9 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pqr h ALA 9 CO 0.00 1.43 -0.91 0.00 0.00 0.00 0.00 179.25 179.78 1pqr n ALA 10 N -2.56 -2.19 -1.82 0.00 0.00 -1.12 -4.99 120.51 107.83 1pqr n ALA 10 Ca -0.15 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1pqr n ALA 10 Cb 1.03 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1pqr n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqr n HIS 12 N 2.31 0.00 0.00 0.00 8.25 -1.26 -1.10 115.22 123.41 1pqr n HIS 12 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1pqr n HIS 12 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.96 0.00 0.00 -1.95 -3.47 103.07 96.69 1pqr h GLY 15 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1pqr h GLY 15 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 1pqr n LYS 17 N -5.52 0.00 -3.60 0.00 5.02 -1.26 -5.02 118.16 107.78 1pqr n LYS 17 Ca 0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1pqr n LYS 17 Cb 0.60 -0.25 -0.06 0.00 -0.02 0.00 0.00 35.03 35.30 1pqr n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqr s VAL 18 N -0.83 5.24 0.00 -0.18 0.11 -1.26 -4.77 120.40 118.72 1pqr s VAL 18 Ca 0.00 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1pqr s VAL 18 Cb 0.00 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1pqr s VAL 18 CO 0.00 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1pqr n GLY 19 N 2.46 -0.85 0.00 6.54 0.00 -1.26 -5.07 105.19 107.02 1pqr n GLY 19 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1pqr n GLY 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pqr n ARG 20 N -0.27 0.00 0.00 1.61 0.63 -1.26 -4.23 116.66 113.14 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pqr n ARG 20 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1pqr n ARG 20 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1pqr n TYR 23 N 0.00 0.00 0.07 -0.14 0.18 -1.26 -4.35 117.16 111.65 1pqr n TYR 23 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 1pqr n TYR 23 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pqr h ASP 25 N 0.00 0.24 -0.33 0.00 3.58 -1.92 -3.46 116.42 114.52 1pqr h ASP 25 Ca -0.08 -0.51 -0.10 0.00 0.42 0.00 0.00 57.03 56.77 1pqr h ASP 25 Cb 1.27 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1pqr h ASP 25 CO 0.02 1.45 -0.16 -0.09 -2.88 0.00 0.00 179.24 177.58 1pqr h ARG 26 N 0.04 0.70 -1.39 0.28 9.65 -1.92 -3.52 114.38 118.22 1pqr h ARG 26 Ca -0.35 -0.31 -0.10 0.00 -1.10 0.00 0.00 59.98 58.13 1pqr h ARG 26 Cb 2.02 -0.02 -0.25 0.00 -1.39 0.00 0.00 29.97 30.33 1pqr h ARG 26 CO 0.09 0.91 -0.47 -1.12 2.80 0.00 0.00 179.97 182.18 1pqr s SER 28 N -6.40 -0.51 0.00 -3.80 0.01 -1.26 -4.81 113.70 96.92 1pqr s SER 28 Ca -0.13 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1pqr s SER 28 Cb 0.09 1.52 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1pqr s SER 28 CO 0.81 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1pqr n GLY 29 N 5.33 -2.06 0.73 3.44 0.00 -1.26 -5.20 105.19 106.17 1pqr n GLY 29 Ca 0.03 0.83 0.13 0.00 0.00 0.00 0.00 46.02 47.01 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93