#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 3.75 -1.91 0.09 0.00 0.00 0.21 -4.47 105.19 102.87 1pqr n GLY 4 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.84 -0.50 1.61 -0.04 -1.26 -4.38 135.00 131.27 1pqr n PRO 5 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1pqr n PRO 5 Cb 0.00 -1.07 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.40 1.19 -0.03 0.54 4.01 -1.26 -5.08 117.16 116.13 1pqr n TYR 6 Ca 0.00 -0.64 -0.04 0.00 -0.16 0.00 0.00 57.90 57.06 1pqr n TYR 6 Cb 0.04 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 38.65 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 0.09 0.81 -3.03 7.72 2.85 -1.26 -5.11 115.26 117.32 1pqr n ASN 8 Ca 0.19 0.14 -0.34 0.00 -0.11 0.00 0.00 54.58 54.46 1pqr n ASN 8 Cb 0.84 -0.56 -0.03 0.00 1.24 0.00 0.00 39.78 41.28 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 -3.31 6.64 -3.72 5.20 0.00 -1.26 -4.82 120.51 119.24 1pqr n ALA 9 Ca -0.05 -3.62 -0.22 0.00 0.00 0.00 0.00 53.44 49.55 1pqr n ALA 9 Cb 0.20 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.18 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 1.32 -1.88 -2.19 0.00 0.00 -1.26 -4.93 120.51 111.58 1pqr n ALA 10 Ca 0.56 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1pqr n ALA 10 Cb 0.39 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 7.44 0.00 0.00 0.00 8.25 -1.26 -0.62 115.22 129.03 1pqr n HIS 12 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1pqr n HIS 12 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -4.07 0.00 0.00 -1.96 -3.44 103.07 93.60 1pqr h GLY 15 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1pqr h GLY 15 CO 0.00 0.00 0.77 0.00 0.00 0.00 0.00 176.54 177.31 1pqr n LYS 17 N 1.29 1.40 -3.53 0.00 5.02 -1.26 -4.88 118.16 116.20 1pqr n LYS 17 Ca 0.04 -0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 55.27 1pqr n LYS 17 Cb 0.40 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.26 -0.56 0.00 -0.18 0.11 -1.26 -5.04 120.40 111.21 1pqr s VAL 18 Ca 0.28 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1pqr s VAL 18 Cb 0.20 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1pqr s VAL 18 CO 0.43 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1pqr n GLY 19 N 5.37 -2.00 0.00 6.54 0.00 -1.26 -5.14 105.19 108.69 1pqr n GLY 19 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.19 0.00 0.00 1.61 0.00 -1.26 -4.72 116.66 112.09 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 0.27 2.89 4.11 -1.26 -4.42 117.16 118.75 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 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 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 0.00 -0.11 0.00 3.58 -1.96 -3.46 116.42 114.47 1pqr h ASP 25 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1pqr h ASP 25 Cb 0.91 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1pqr h ASP 25 CO 0.00 0.86 0.04 -0.09 -2.88 0.00 0.00 179.24 177.17 1pqr h ARG 26 N 0.00 0.17 -1.05 0.28 2.43 -1.93 -3.51 114.38 110.76 1pqr h ARG 26 Ca -0.23 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1pqr h ARG 26 Cb 1.86 -0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 31.17 1pqr h ARG 26 CO 0.07 0.28 -0.40 0.45 -1.51 0.00 0.00 179.97 178.86 1pqr s SER 28 N -5.51 -1.47 0.00 -3.80 0.15 -1.26 -4.98 113.70 96.84 1pqr s SER 28 Ca -0.14 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1pqr s SER 28 Cb 0.06 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.33 1pqr s SER 28 CO 0.69 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1pqr n GLY 29 N 5.25 -1.92 0.00 9.45 0.00 -1.26 -5.25 105.19 111.46 1pqr n GLY 29 Ca 0.06 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93