#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 -1.91 2.24 0.00 -1.26 -4.99 120.51 114.58 1bjb n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bjb n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bjb n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bjb n GLU 3 N -3.08 0.00 -0.02 0.00 -0.00 -1.26 -4.92 120.64 111.36 1bjb n GLU 3 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.00 1bjb n GLU 3 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.35 1bjb n GLU 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1bjb h PHE 4 N 0.00 0.60 -0.63 -1.84 -1.00 -1.90 -0.46 116.94 111.71 1bjb h PHE 4 Ca 0.00 -0.28 -0.38 0.00 2.81 0.00 0.00 57.97 60.12 1bjb h PHE 4 Cb 0.82 -0.09 -0.22 0.00 3.61 0.00 0.00 35.95 40.08 1bjb h PHE 4 CO 0.00 1.06 0.08 2.89 -1.61 0.00 0.00 178.31 180.73 1bjb n ARG 5 N -4.29 2.32 0.06 1.51 0.00 -1.26 -0.47 116.66 114.53 1bjb n ARG 5 Ca -0.09 -3.34 0.00 0.00 -0.00 0.00 0.00 57.85 54.43 1bjb n ARG 5 Cb 0.59 -2.03 0.00 0.00 -0.00 0.00 0.00 32.46 31.02 1bjb n ARG 5 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1bjb n HIS 6 N -1.03 -1.03 -1.17 2.89 -0.00 -1.24 -4.81 115.22 108.81 1bjb n HIS 6 Ca 0.44 0.18 -0.08 0.00 -0.00 0.00 0.00 57.72 58.26 1bjb n HIS 6 Cb 1.07 0.49 0.25 0.00 -0.00 0.00 0.00 29.99 31.80 1bjb n HIS 6 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1bjb n ASP 7 N -2.96 3.97 -3.98 0.26 9.92 -0.24 -4.91 116.55 118.60 1bjb n ASP 7 Ca 0.00 -3.41 -0.32 0.00 -0.53 0.00 0.00 54.79 50.52 1bjb n ASP 7 Cb 0.03 -0.72 -0.02 0.00 -0.64 0.00 0.00 41.12 39.77 1bjb n ASP 7 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1bjb n SER 8 N -0.65 -3.43 0.00 -2.24 7.64 -1.18 -4.80 113.62 108.96 1bjb n SER 8 Ca 0.42 -0.82 0.10 0.00 1.01 0.00 0.00 58.87 59.58 1bjb n SER 8 Cb 1.33 -2.82 0.50 0.00 -1.01 0.00 0.00 64.21 62.22 1bjb n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bjb n GLY 9 N -1.32 -1.07 3.31 0.23 0.00 0.38 -4.84 105.19 101.89 1bjb n GLY 9 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1bjb n GLY 9 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bjb n TYR 10 N -1.37 -2.67 -5.19 1.61 0.18 -0.59 -4.80 117.16 104.34 1bjb n TYR 10 Ca 0.08 -0.50 -0.32 0.00 1.88 0.00 0.00 57.90 59.05 1bjb n TYR 10 Cb 0.20 -1.49 -0.16 0.00 -0.38 0.00 0.00 39.34 37.50 1bjb n TYR 10 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1bjb s GLU 11 N -4.67 2.61 0.12 -3.48 0.41 -1.26 -4.99 118.70 107.44 1bjb s GLU 11 Ca 0.67 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1bjb s GLU 11 Cb -0.18 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1bjb s GLU 11 CO 0.60 0.40 0.00 0.28 -0.49 0.00 0.00 175.26 176.05 1bjb n VAL 12 N 2.92 0.05 -0.48 2.63 0.31 -1.26 -5.04 118.33 117.46 1bjb n VAL 12 Ca -0.17 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1bjb n VAL 12 Cb 0.52 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.95 0.00 0.00 3.52 8.25 -1.26 -4.89 115.22 117.89 1bjb n HIS 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bjb n HIS 13 Cb 0.03 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1bjb n HIS 13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bjb n HIS 14 N -2.00 0.00 0.32 4.41 8.25 -1.26 -4.52 115.22 120.42 1bjb n HIS 14 Ca 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.67 1bjb n HIS 14 Cb 0.00 0.00 1.15 0.00 1.12 0.00 0.00 29.99 32.26 1bjb n HIS 14 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1bjb h GLN 15 N 0.00 0.00 -0.52 -0.41 4.20 -1.99 -2.67 115.11 113.72 1bjb h GLN 15 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1bjb h GLN 15 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1bjb h GLN 15 CO 0.00 0.00 -0.25 1.49 -0.67 0.00 0.00 178.83 179.40 1bjb h GLU 16 N 0.00 -0.12 0.00 1.46 4.81 -1.91 0.16 114.58 118.97 1bjb h GLU 16 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bjb h GLU 16 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1bjb h GLU 16 CO 0.00 -0.08 0.00 1.37 -0.73 0.00 0.00 179.01 179.57 1bjb h LEU 17 N -0.13 0.00 -1.32 1.64 8.10 -1.70 -2.87 115.31 119.02 1bjb h LEU 17 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.22 1bjb h LEU 17 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1bjb h LEU 17 CO -0.60 0.00 0.00 0.58 -4.11 0.00 0.00 178.44 174.31 1bjb h VAL 18 N 0.00 0.00 0.00 0.15 2.07 -0.82 -0.12 116.25 117.53 1bjb h VAL 18 Ca 0.00 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1bjb h VAL 18 Cb 0.92 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1bjb h VAL 18 CO 0.00 0.00 -0.25 -0.26 0.02 0.00 0.00 177.57 177.08 1bjb h PHE 19 N 0.00 0.00 0.00 1.57 0.04 -0.86 0.21 116.94 117.91 1bjb h PHE 19 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1bjb h PHE 19 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1bjb h PHE 19 CO 0.00 0.25 -0.40 0.35 -0.60 0.00 0.00 178.31 177.91 1bjb h PHE 20 N 0.00 0.01 -0.41 -0.55 3.57 -1.21 -3.08 116.94 115.26 1bjb h PHE 20 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bjb h PHE 20 Cb 1.00 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1bjb h PHE 20 CO 0.00 1.16 0.27 0.00 -2.23 0.00 0.00 178.31 177.51 1bjb h ALA 21 N -0.15 1.69 -0.84 2.41 0.00 -1.05 -0.85 119.26 120.47 1bjb h ALA 21 Ca -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1bjb h ALA 21 Cb 1.10 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1bjb h ALA 21 CO -0.06 0.28 0.54 1.49 0.00 0.00 0.00 179.25 181.49 1bjb h GLU 22 N 0.56 1.02 -0.03 0.00 4.81 -0.63 -0.82 114.58 119.49 1bjb h GLU 22 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1bjb h GLU 22 Cb -0.06 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.09 1bjb h GLU 22 CO -0.03 0.68 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.42 1bjb h ASP 23 N 1.05 0.10 -0.29 1.04 5.19 -1.11 -3.29 116.42 119.11 1bjb h ASP 23 Ca 0.33 -0.58 0.07 0.00 -0.62 0.00 0.00 57.03 56.23 1bjb h ASP 23 Cb -0.00 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1bjb h ASP 23 CO -0.11 0.67 -0.23 0.58 -3.12 0.00 0.00 179.24 177.03 1bjb h VAL 24 N -0.46 0.40 0.00 -1.35 2.07 -0.94 -3.49 116.25 112.49 1bjb h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bjb h VAL 24 Cb 0.65 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1bjb h VAL 24 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1bjb n GLY 25 N -1.37 0.26 2.71 2.17 0.00 -0.34 -4.91 105.19 103.70 1bjb n GLY 25 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 1bjb n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bjb n SER 26 N 0.00 0.21 0.00 1.61 7.64 -1.26 -4.42 113.62 117.39 1bjb n SER 26 Ca 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1bjb n SER 26 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1bjb n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bjb n ASN 27 N -0.50 -5.38 0.00 6.43 2.85 -1.26 -5.24 115.26 112.16 1bjb n ASN 27 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1bjb n ASN 27 Cb 0.83 -3.26 0.00 0.00 1.24 0.00 0.00 39.78 38.59 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44