#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 0.00 -1.84 0.00 0.00 0.00 -0.88 -4.27 105.19 98.19 1pqr n GLY 4 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 0.59 -0.86 1.61 -0.04 -1.26 -3.83 135.00 131.21 1pqr n PRO 5 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1pqr n PRO 5 Cb 0.00 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.82 1.59 -0.08 0.54 4.01 -1.26 -4.92 117.16 116.21 1pqr n TYR 6 Ca 0.09 -1.88 -0.09 0.00 -0.16 0.00 0.00 57.90 55.86 1pqr n TYR 6 Cb 0.04 -0.92 -0.04 0.00 -0.31 0.00 0.00 39.34 38.12 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 0.21 1.84 -1.95 7.72 3.02 -1.26 -5.00 115.26 119.84 1pqr n ASN 8 Ca 0.31 0.55 -0.18 0.00 -0.03 0.00 0.00 54.58 55.22 1pqr n ASN 8 Cb 0.65 -0.87 0.04 0.00 -0.61 0.00 0.00 39.78 38.99 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pqr n ALA 9 N -3.74 5.26 -3.63 5.41 0.00 -1.26 -4.91 120.51 117.63 1pqr n ALA 9 Ca -0.14 -1.84 -0.21 0.00 0.00 0.00 0.00 53.44 51.24 1pqr n ALA 9 Cb 0.40 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1pqr n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqr n ALA 10 N 0.29 -1.97 -1.31 0.00 0.00 -1.26 -4.96 120.51 111.31 1pqr n ALA 10 Ca 0.33 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1pqr n ALA 10 Cb 0.58 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.24 0.00 0.00 0.00 8.25 -1.26 -2.08 115.22 117.89 1pqr n HIS 12 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 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 n GLY 15 N 0.00 -0.33 0.00 0.00 0.00 -1.26 -4.97 105.19 98.62 1pqr n GLY 15 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1pqr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqr n LYS 17 N -0.72 0.00 -3.27 0.00 4.76 -1.26 -5.02 118.16 112.64 1pqr n LYS 17 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 1pqr n LYS 17 Cb 0.00 -0.05 -0.06 0.00 -1.84 0.00 0.00 35.03 33.08 1pqr n LYS 17 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pqr s VAL 18 N -0.53 5.15 0.00 -0.18 0.11 -1.26 -4.67 120.40 119.01 1pqr s VAL 18 Ca 0.00 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 1pqr s VAL 18 Cb 0.00 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1pqr s VAL 18 CO 0.00 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1pqr n GLY 19 N 3.56 0.65 0.00 6.54 0.00 -1.26 -4.92 105.19 109.76 1pqr n GLY 19 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.48 0.00 0.00 1.61 3.00 -1.26 -3.10 116.66 116.43 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 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 0.94 -1.55 0.18 -1.26 -4.50 117.16 110.97 1pqr n TYR 23 Ca 0.00 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.90 1pqr n TYR 23 Cb 0.00 0.00 0.20 0.00 -0.38 0.00 0.00 39.34 39.16 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 -1.57 1.06 0.16 0.00 -0.08 -1.26 -5.02 116.55 109.84 1pqr n ASP 25 Ca 0.05 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.21 1pqr n ASP 25 Cb 0.35 0.03 -0.07 0.00 2.34 0.00 0.00 41.12 43.76 1pqr n ASP 25 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1pqr h ARG 26 N 0.00 -0.43 -0.37 -0.67 9.65 -1.84 -3.50 114.38 117.22 1pqr h ARG 26 Ca 0.00 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1pqr h ARG 26 Cb 0.25 0.10 -0.17 0.00 -1.39 0.00 0.00 29.97 28.76 1pqr h ARG 26 CO 0.00 -0.11 -0.19 -1.54 2.80 0.00 0.00 179.97 180.93 1pqr s SER 28 N -5.07 -0.57 0.00 -3.80 1.04 -1.26 -4.48 113.70 99.56 1pqr s SER 28 Ca -0.13 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1pqr s SER 28 Cb 0.02 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1pqr s SER 28 CO 0.48 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.26 1pqr n GLY 29 N 3.52 -1.21 0.00 7.32 0.00 -1.26 -5.16 105.19 108.40 1pqr n GLY 29 Ca 0.08 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93