#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjb n ALA 2 N 0.00 0.00 -3.01 2.12 0.00 -1.26 -4.99 120.51 113.38 1bjb n ALA 2 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1bjb n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1bjb n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bjb s GLU 3 N 0.07 0.95 0.27 0.00 2.56 -1.26 -4.91 118.70 116.39 1bjb s GLU 3 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1bjb s GLU 3 Cb 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 34.13 35.88 1bjb s GLU 3 CO 0.00 -1.29 0.00 1.19 -0.56 0.00 0.00 175.26 174.60 1bjb n PHE 4 N 3.41 -2.80 1.63 5.30 3.72 -1.26 -4.67 117.46 122.79 1bjb n PHE 4 Ca 0.17 0.69 0.02 0.00 -0.05 0.00 0.00 57.45 58.28 1bjb n PHE 4 Cb 0.54 1.60 0.15 0.00 -0.94 0.00 0.00 39.48 40.83 1bjb n PHE 4 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1bjb n ARG 5 N -3.21 0.81 -0.14 -1.08 -4.01 -1.26 0.80 116.66 108.58 1bjb n ARG 5 Ca 0.00 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.51 1bjb n ARG 5 Cb 0.00 -1.09 -0.10 0.00 -3.04 0.00 0.00 32.46 28.22 1bjb n ARG 5 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1bjb n HIS 6 N -0.59 0.00 -2.25 2.89 8.25 -1.26 -4.20 115.22 118.05 1bjb n HIS 6 Ca 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1bjb n HIS 6 Cb 0.02 -1.00 0.02 0.00 1.12 0.00 0.00 29.99 30.15 1bjb n HIS 6 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1bjb n ASP 7 N -4.22 -0.88 -2.04 0.41 5.68 -1.18 -4.74 116.55 109.59 1bjb n ASP 7 Ca -0.55 -1.65 -0.03 0.00 -0.50 0.00 0.00 54.79 52.07 1bjb n ASP 7 Cb 0.89 0.36 0.06 0.00 -1.14 0.00 0.00 41.12 41.29 1bjb n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1bjb n SER 8 N -0.57 -1.17 0.00 -1.12 3.41 -0.18 -4.87 113.62 109.12 1bjb n SER 8 Ca -0.16 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1bjb n SER 8 Cb 0.67 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1bjb n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bjb n GLY 9 N -0.95 -0.33 3.64 5.00 0.00 0.24 -4.66 105.19 108.13 1bjb n GLY 9 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1bjb n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bjb s TYR 10 N 0.00 1.29 -0.29 1.61 1.13 -0.30 -4.36 117.35 116.43 1bjb s TYR 10 Ca 0.00 0.72 -0.26 0.00 -1.41 0.00 0.00 57.07 56.12 1bjb s TYR 10 Cb 0.00 -3.38 0.00 0.00 -1.10 0.00 0.00 41.96 37.48 1bjb s TYR 10 CO 0.00 -3.39 0.90 -1.21 -2.51 0.00 0.00 175.55 169.34 1bjb s GLU 11 N -5.21 4.07 -0.18 -3.49 2.02 -1.26 -4.92 118.70 109.73 1bjb s GLU 11 Ca 0.68 0.87 -0.15 0.00 0.02 0.00 0.00 54.97 56.40 1bjb s GLU 11 Cb -0.14 -3.70 -0.10 0.00 0.10 0.00 0.00 34.13 30.29 1bjb s GLU 11 CO 0.57 -0.70 -0.07 0.28 0.02 0.00 0.00 175.26 175.35 1bjb n VAL 12 N 5.54 1.48 -0.68 2.63 0.31 -1.26 -5.00 118.33 121.35 1bjb n VAL 12 Ca 0.07 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1bjb n VAL 12 Cb 0.47 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1bjb n VAL 12 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1bjb n HIS 13 N -4.51 0.00 -0.05 3.52 8.25 -1.26 -4.86 115.22 116.31 1bjb n HIS 13 Ca -0.20 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.12 1bjb n HIS 13 Cb 0.49 -0.26 -0.12 0.00 1.12 0.00 0.00 29.99 31.22 1bjb n HIS 13 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bjb h HIS 14 N 0.00 -0.01 0.00 4.41 3.86 -1.99 -3.40 115.15 118.02 1bjb h HIS 14 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bjb h HIS 14 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bjb h HIS 14 CO 0.00 0.83 -0.76 1.04 0.86 0.00 0.00 177.93 179.90 1bjb n GLN 15 N -4.68 2.72 -0.23 2.45 6.02 -1.26 -4.60 117.38 117.80 1bjb n GLN 15 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.88 1bjb n GLN 15 Cb 0.41 -0.88 0.05 0.00 1.02 0.00 0.00 30.24 30.84 1bjb n GLN 15 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1bjb h GLU 16 N 0.00 -0.05 0.00 -1.09 4.81 -1.93 0.21 114.58 116.53 1bjb h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bjb h GLU 16 Cb 0.76 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1bjb h GLU 16 CO 0.00 -0.03 -0.20 1.37 -0.73 0.00 0.00 179.01 179.41 1bjb h LEU 17 N -0.05 0.00 -0.99 1.64 8.10 -1.86 -3.09 115.31 119.06 1bjb h LEU 17 Ca 0.30 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.23 1bjb h LEU 17 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1bjb h LEU 17 CO -0.70 0.03 0.00 0.58 -4.11 0.00 0.00 178.44 174.24 1bjb h VAL 18 N 0.00 0.00 0.00 0.15 2.07 -0.90 0.10 116.25 117.68 1bjb h VAL 18 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1bjb h VAL 18 Cb 0.76 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1bjb h VAL 18 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1bjb n PHE 19 N -2.92 0.74 -0.12 1.57 3.72 -0.54 -0.08 117.46 119.84 1bjb n PHE 19 Ca 0.02 0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 57.42 1bjb n PHE 19 Cb 0.34 -0.91 -0.09 0.00 -0.94 0.00 0.00 39.48 37.89 1bjb n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1bjb n PHE 20 N -2.14 0.00 0.25 1.38 7.35 -0.61 -4.24 117.46 119.46 1bjb n PHE 20 Ca 0.04 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.85 1bjb n PHE 20 Cb 0.32 -0.85 0.58 0.00 0.35 0.00 0.00 39.48 39.88 1bjb n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bjb h ALA 21 N -0.80 1.00 -0.08 3.13 0.00 -0.82 -0.46 119.26 121.22 1bjb h ALA 21 Ca -0.60 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1bjb h ALA 21 Cb 1.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1bjb h ALA 21 CO -0.35 0.00 -0.00 1.49 0.00 0.00 0.00 179.25 180.39 1bjb h GLU 22 N 0.00 0.15 0.46 0.00 4.22 -0.66 0.29 114.58 119.03 1bjb h GLU 22 Ca 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1bjb h GLU 22 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1bjb h GLU 22 CO 0.00 0.42 -0.22 -0.44 -2.18 0.00 0.00 179.01 176.59 1bjb h ASP 23 N -0.15 -0.52 -0.89 1.04 3.32 -1.32 -2.58 116.42 115.31 1bjb h ASP 23 Ca 0.02 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1bjb h ASP 23 Cb 0.36 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1bjb h ASP 23 CO 0.00 -0.10 0.59 0.58 -1.72 0.00 0.00 179.24 178.60 1bjb h VAL 24 N -1.13 1.21 0.02 -1.35 2.07 -1.38 -1.64 116.25 114.04 1bjb h VAL 24 Ca -0.06 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1bjb h VAL 24 Cb 0.51 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1bjb h VAL 24 CO 0.10 0.22 -0.13 1.23 0.02 0.00 0.00 177.57 179.01 1bjb h GLY 25 N 1.18 -0.17 0.54 2.17 0.00 -0.49 -1.11 103.07 105.20 1bjb h GLY 25 Ca 0.33 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.86 1bjb h GLY 25 CO -0.08 -0.13 0.01 0.23 0.00 0.00 0.00 176.54 176.57 1bjb h SER 26 N -0.22 -0.11 -0.12 0.19 0.87 -1.01 -2.70 113.55 110.46 1bjb h SER 26 Ca 0.04 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1bjb h SER 26 Cb 0.27 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1bjb h SER 26 CO -0.12 -0.02 -0.37 -1.13 -0.53 0.00 0.00 176.83 174.66 1bjb h ASN 27 N 0.10 -1.15 0.00 6.23 -1.24 -0.85 -3.52 115.58 115.15 1bjb h ASN 27 Ca 0.14 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1bjb h ASN 27 Cb 0.19 0.48 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1bjb h ASN 27 CO -0.24 -0.40 0.00 0.29 -1.29 0.00 0.00 177.43 175.79