#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 -0.08 0.63 3.20 0.00 0.00 -1.22 -4.78 105.19 102.94 1pqr n GLY 4 Ca 0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 2.65 0.00 1.61 -0.04 -1.26 -3.26 135.00 134.70 1pqr n PRO 5 Ca 0.00 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1pqr n PRO 5 Cb 0.00 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 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 8.16 0.00 -0.08 0.54 4.01 -1.26 -5.14 117.16 123.39 1pqr n TYR 6 Ca 0.50 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 58.06 1pqr n TYR 6 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.41 0.00 7.72 3.02 -1.26 -4.75 115.26 121.40 1pqr n ASN 8 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1pqr n ASN 8 Cb 0.00 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.92 0.00 0.60 5.41 0.00 -1.26 -4.39 120.51 116.95 1pqr n ALA 9 Ca -0.32 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.25 1pqr n ALA 9 Cb 0.68 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.58 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 -1.54 2.04 -2.36 0.00 0.00 -1.26 -4.93 120.51 112.45 1pqr n ALA 10 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pqr n ALA 10 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 7.04 0.00 0.00 0.00 8.25 -1.20 -4.76 115.22 124.55 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 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 0.47 -1.52 0.00 0.00 -1.96 -3.46 103.07 96.60 1pqr h GLY 15 Ca 0.00 -0.34 -0.53 0.00 0.00 0.00 0.00 47.33 46.47 1pqr h GLY 15 CO 0.00 0.31 0.32 0.00 0.00 0.00 0.00 176.54 177.17 1pqr n LYS 17 N -3.37 0.00 -3.77 0.00 5.02 -1.26 -4.92 118.16 109.86 1pqr n LYS 17 Ca 0.12 0.43 -0.36 0.00 -2.02 0.00 0.00 58.31 56.48 1pqr n LYS 17 Cb 0.51 -0.93 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.88 5.43 0.00 -0.18 0.11 -1.26 -4.87 120.40 118.74 1pqr s VAL 18 Ca 0.00 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1pqr s VAL 18 Cb 0.00 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 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 2.82 -1.78 0.00 6.54 0.00 -1.26 -5.05 105.19 106.45 1pqr n GLY 19 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1pqr n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pqr n ARG 20 N -0.04 0.00 0.00 1.61 0.00 -1.26 -4.86 116.66 112.11 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 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 0.07 2.89 4.11 -1.26 -4.52 117.16 118.44 1pqr n TYR 23 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.93 1pqr n TYR 23 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.30 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pqr h ASP 25 N 0.00 0.35 -0.35 0.00 1.82 -1.98 -3.45 116.42 112.81 1pqr h ASP 25 Ca -0.10 -0.76 -0.11 0.00 -0.39 0.00 0.00 57.03 55.67 1pqr h ASP 25 Cb 1.41 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1pqr h ASP 25 CO 0.04 1.67 -0.18 -0.09 -1.61 0.00 0.00 179.24 179.07 1pqr h ARG 26 N 0.06 0.83 0.00 0.28 2.43 -1.95 -3.53 114.38 112.50 1pqr h ARG 26 Ca -0.38 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 1pqr h ARG 26 Cb 2.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1pqr h ARG 26 CO 0.10 0.94 0.00 0.43 -1.51 0.00 0.00 179.97 179.93 1pqr n SER 28 N -4.13 -1.32 0.00 -3.80 7.64 -1.26 -4.82 113.62 105.92 1pqr n SER 28 Ca 0.01 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1pqr n SER 28 Cb 0.42 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 1pqr n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pqr n GLY 29 N -0.07 -1.89 0.00 0.23 0.00 -1.26 -5.19 105.19 97.02 1pqr n GLY 29 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93