#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 2.15 0.13 0.00 0.00 -1.26 -2.95 105.19 103.17 1pqr n GLY 4 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 10.05 0.19 -0.44 1.61 -0.04 -1.26 -5.04 135.00 140.07 1pqr n PRO 5 Ca 0.00 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1pqr n PRO 5 Cb 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 -2.23 0.00 0.00 0.54 4.01 -1.15 -5.32 117.16 113.01 1pqr n TYR 6 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1pqr n TYR 6 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.48 0.00 -0.05 7.72 2.85 -1.21 -4.70 115.26 119.38 1pqr n ASN 8 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 1pqr n ASN 8 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pqr n ALA 9 N 0.00 0.89 -3.33 5.20 0.00 -0.85 -4.77 120.51 117.65 1pqr n ALA 9 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1pqr n ALA 9 Cb 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.24 4.39 -2.79 0.00 0.00 -1.01 -5.03 120.51 112.83 1pqr n ALA 10 Ca -0.34 -4.75 -0.43 0.00 0.00 0.00 0.00 53.44 47.92 1pqr n ALA 10 Cb 0.90 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 7.63 0.00 -1.00 0.00 8.25 -1.26 -5.00 115.22 123.84 1pqr n HIS 12 Ca 0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1pqr n HIS 12 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 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 4.02 -0.72 3.95 0.00 0.00 -1.26 -5.00 105.19 106.19 1pqr n GLY 15 Ca 0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1pqr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqr h LYS 17 N -0.07 0.00 -5.64 0.00 1.57 -2.00 -3.48 116.57 106.96 1pqr h LYS 17 Ca -0.44 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.68 1pqr h LYS 17 Cb 1.29 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.39 1pqr h LYS 17 CO 0.56 0.00 -0.70 0.54 -0.57 0.00 0.00 179.45 179.28 1pqr s VAL 18 N -1.76 3.66 0.00 0.50 0.11 -1.26 -4.95 120.40 116.70 1pqr s VAL 18 Ca -0.08 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1pqr s VAL 18 Cb 0.01 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1pqr s VAL 18 CO 0.13 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1pqr n GLY 19 N 3.01 0.02 0.00 6.54 0.00 -1.26 -5.05 105.19 108.46 1pqr n GLY 19 Ca -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.09 0.00 0.00 1.61 0.00 -1.26 -4.72 116.66 112.20 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 0.12 2.89 0.18 -1.26 -4.61 117.16 114.48 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 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 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 0.07 -0.40 0.00 3.58 -1.97 -3.46 116.42 114.24 1pqr h ASP 25 Ca -0.04 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.12 1pqr h ASP 25 Cb 1.27 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1pqr h ASP 25 CO 0.03 1.13 -0.29 0.03 -2.88 0.00 0.00 179.24 177.25 1pqr h ARG 26 N 0.01 0.91 0.00 0.28 3.08 -1.98 -3.54 114.38 113.14 1pqr h ARG 26 Ca -0.28 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.33 1pqr h ARG 26 Cb 2.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1pqr h ARG 26 CO 0.09 1.09 0.00 -1.13 -1.07 0.00 0.00 179.97 178.95 1pqr n SER 28 N -4.13 -2.93 0.00 7.04 3.41 -1.26 -4.95 113.62 110.79 1pqr n SER 28 Ca -0.02 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1pqr n SER 28 Cb 0.49 2.81 0.00 0.00 -0.26 0.00 0.00 64.21 67.25 1pqr n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pqr n GLY 29 N -0.76 -1.21 0.00 5.00 0.00 -1.26 -5.19 105.19 101.77 1pqr n GLY 29 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93