#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 0.68 1.07 0.44 0.00 0.00 -0.73 -3.32 105.19 103.33 1pqr n GLY 4 Ca 0.00 -0.76 0.21 0.00 0.00 0.00 0.00 46.02 45.47 1pqr n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pqr h PRO 5 N 0.00 0.00 -5.05 1.61 0.11 -1.99 -3.46 132.00 123.21 1pqr h PRO 5 Ca 0.00 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 1pqr h PRO 5 Cb 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.76 1pqr h PRO 5 CO 0.00 0.00 -0.86 0.71 -0.21 0.00 0.00 178.00 177.64 1pqr s TYR 6 N -4.42 2.80 0.00 0.65 2.02 -1.21 -5.21 117.35 111.99 1pqr s TYR 6 Ca -0.03 -1.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 1pqr s TYR 6 Cb 0.13 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1pqr s TYR 6 CO 0.43 -0.81 0.00 0.09 -1.57 0.00 0.00 175.55 173.69 1pqr n ASN 8 N 4.61 0.00 0.00 2.29 3.02 -1.26 -4.70 115.26 119.22 1pqr n ASN 8 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1pqr n ASN 8 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.55 0.00 -3.15 5.41 0.00 -1.26 -4.88 120.51 115.07 1pqr n ALA 9 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1pqr n ALA 9 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.75 2.87 -1.85 0.00 0.00 -1.26 -5.10 120.51 112.42 1pqr n ALA 10 Ca 0.00 -3.82 -0.41 0.00 0.00 0.00 0.00 53.44 49.22 1pqr n ALA 10 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 1.60 0.00 0.00 0.00 8.25 -1.26 -1.77 115.22 122.05 1pqr n HIS 12 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1pqr n HIS 12 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 0.17 -4.61 0.00 0.00 -1.98 -3.45 103.07 93.20 1pqr h GLY 15 Ca 0.00 -0.10 -0.62 0.00 0.00 0.00 0.00 47.33 46.60 1pqr h GLY 15 CO 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 176.54 176.57 1pqr n LYS 17 N 0.79 0.33 -3.56 0.00 5.02 -1.26 -4.90 118.16 114.58 1pqr n LYS 17 Ca 0.12 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1pqr n LYS 17 Cb 0.30 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 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 -3.26 -0.55 0.00 -0.18 0.11 -1.26 -5.04 120.40 110.22 1pqr s VAL 18 Ca 0.00 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1pqr s VAL 18 Cb 0.15 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1pqr s VAL 18 CO 0.88 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.27 1pqr n GLY 19 N 5.37 0.20 0.00 6.54 0.00 -1.26 -5.09 105.19 110.95 1pqr n GLY 19 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.22 0.00 0.00 1.61 3.00 -1.26 -4.74 116.66 115.05 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 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 0.51 -1.55 4.11 -1.26 -4.49 117.16 114.47 1pqr n TYR 23 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 1pqr n TYR 23 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 39.34 39.44 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 0.30 -0.12 0.00 1.82 -1.98 -3.46 116.42 112.98 1pqr h ASP 25 Ca 0.00 -0.63 -0.02 0.00 -0.39 0.00 0.00 57.03 56.00 1pqr h ASP 25 Cb 0.77 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 1pqr h ASP 25 CO 0.00 1.56 0.01 -0.09 -1.61 0.00 0.00 179.24 179.11 1pqr h ARG 26 N 0.05 0.20 0.00 0.28 2.43 -1.94 -3.50 114.38 111.90 1pqr h ARG 26 Ca -0.36 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1pqr h ARG 26 Cb 2.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 1pqr h ARG 26 CO 0.10 0.41 0.00 0.43 -1.51 0.00 0.00 179.97 179.40 1pqr n SER 28 N -4.82 -1.64 -4.39 -3.80 7.64 -1.26 -4.91 113.62 100.44 1pqr n SER 28 Ca -0.06 0.37 -0.45 0.00 1.01 0.00 0.00 58.87 59.74 1pqr n SER 28 Cb 0.18 1.79 -0.01 0.00 -1.01 0.00 0.00 64.21 65.16 1pqr n SER 28 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pqr s GLY 29 N -1.69 2.68 0.00 0.23 0.00 -1.26 -5.19 107.32 102.10 1pqr s GLY 29 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 44.72 41.29 1pqr s GLY 29 CO 0.00 1.60 0.00 0.61 0.00 0.00 0.00 173.10 175.31