#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 -2.30 -2.20 2.12 0.00 -1.26 -3.39 120.51 113.48 1bjb n ALA 2 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1bjb n ALA 2 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 19.45 15.06 1bjb n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bjb n GLU 3 N -3.62 3.13 0.00 0.00 4.71 -1.26 -1.76 120.64 121.83 1bjb n GLU 3 Ca -0.16 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 53.92 1bjb n GLU 3 Cb 0.64 -3.27 0.00 0.00 -1.01 0.00 0.00 31.44 27.80 1bjb n GLU 3 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1bjb n PHE 4 N 6.39 0.00 -0.06 -0.32 3.72 -1.26 -4.81 117.46 121.12 1bjb n PHE 4 Ca 0.48 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.80 1bjb n PHE 4 Cb 0.41 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.07 1bjb n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bjb n ARG 5 N -0.35 1.99 -2.71 -1.08 1.74 -0.91 -4.70 116.66 110.63 1bjb n ARG 5 Ca 0.00 -1.51 -0.09 0.00 -0.77 0.00 0.00 57.85 55.47 1bjb n ARG 5 Cb 0.00 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 29.82 1bjb n ARG 5 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1bjb n HIS 6 N -0.14 -1.34 -3.25 -1.55 8.25 -1.26 0.29 115.22 116.21 1bjb n HIS 6 Ca 0.25 0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 58.09 1bjb n HIS 6 Cb 0.99 -3.67 0.07 0.00 1.12 0.00 0.00 29.99 28.50 1bjb n HIS 6 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bjb n ASP 7 N -2.35 -4.75 -1.73 0.41 -0.08 -1.26 -1.36 116.55 105.43 1bjb n ASP 7 Ca -0.12 -0.65 -0.16 0.00 -1.51 0.00 0.00 54.79 52.36 1bjb n ASP 7 Cb 0.59 -4.98 -0.01 0.00 2.34 0.00 0.00 41.12 39.05 1bjb n ASP 7 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bjb n SER 8 N -3.11 -4.73 -2.16 1.67 7.64 -0.72 -3.45 113.62 108.76 1bjb n SER 8 Ca -0.15 0.03 -0.05 0.00 1.01 0.00 0.00 58.87 59.71 1bjb n SER 8 Cb 0.63 -3.83 0.02 0.00 -1.01 0.00 0.00 64.21 60.02 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 -1.02 0.04 0.00 0.23 0.00 0.14 -5.02 105.19 99.57 1bjb n GLY 9 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.07 -2.23 -2.55 1.61 4.11 -0.47 -4.86 117.16 110.71 1bjb n TYR 10 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.47 1bjb n TYR 10 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.85 1bjb n TYR 10 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1bjb s GLU 11 N -2.61 3.21 0.03 -3.48 8.01 -1.26 -4.89 118.70 117.70 1bjb s GLU 11 Ca 0.00 -0.19 -0.11 0.00 0.01 0.00 0.00 54.97 54.68 1bjb s GLU 11 Cb 0.00 -4.17 -0.05 0.00 -4.31 0.00 0.00 34.13 25.60 1bjb s GLU 11 CO 0.00 -2.12 1.17 0.28 0.01 0.00 0.00 175.26 174.61 1bjb h VAL 12 N 6.05 0.00 0.00 2.63 2.07 -1.96 -3.45 116.25 121.58 1bjb h VAL 12 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1bjb h VAL 12 Cb 1.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1bjb h VAL 12 CO 1.27 0.00 0.00 1.41 0.02 0.00 0.00 177.57 180.27 1bjb n HIS 13 N -3.25 0.00 0.00 1.57 8.25 -1.26 -4.78 115.22 115.75 1bjb n HIS 13 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1bjb n HIS 13 Cb 0.14 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 29.52 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 -1.80 0.00 0.09 4.41 8.25 -1.26 -4.37 115.22 120.54 1bjb n HIS 14 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1bjb n HIS 14 Cb 0.32 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.68 -0.41 4.20 -1.99 -3.34 115.11 112.90 1bjb h GLN 15 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1bjb h GLN 15 Cb 0.00 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 1bjb h GLN 15 CO 0.00 0.35 -0.19 1.49 -0.67 0.00 0.00 178.83 179.81 1bjb h GLU 16 N 0.00 -0.01 0.00 1.46 4.81 -1.91 0.28 114.58 119.21 1bjb h GLU 16 Ca -0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1bjb h GLU 16 Cb 1.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1bjb h GLU 16 CO 0.05 -0.01 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.05 1bjb h LEU 17 N -0.02 0.00 -1.36 1.64 3.38 -1.76 -2.86 115.31 114.33 1bjb h LEU 17 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1bjb h LEU 17 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bjb h LEU 17 CO -0.70 0.20 0.00 0.58 0.09 0.00 0.00 178.44 178.61 1bjb h VAL 18 N 0.00 0.00 0.00 1.22 2.07 -0.64 0.34 116.25 119.24 1bjb h VAL 18 Ca -0.00 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1bjb h VAL 18 Cb 1.07 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1bjb h VAL 18 CO 0.03 0.00 -0.30 -0.26 0.02 0.00 0.00 177.57 177.05 1bjb h PHE 19 N 0.00 0.00 0.02 1.57 0.04 -0.84 0.18 116.94 117.91 1bjb h PHE 19 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1bjb h PHE 19 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1bjb h PHE 19 CO 0.00 0.30 -0.46 0.35 -0.60 0.00 0.00 178.31 177.90 1bjb h PHE 20 N 0.00 0.07 -0.44 -0.55 3.57 -1.17 -3.08 116.94 115.33 1bjb h PHE 20 Ca -0.00 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1bjb h PHE 20 Cb 0.99 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bjb h PHE 20 CO 0.00 1.18 0.30 0.00 -2.23 0.00 0.00 178.31 177.56 1bjb h ALA 21 N -0.12 1.88 -0.89 2.41 0.00 -0.92 0.01 119.26 121.62 1bjb h ALA 21 Ca -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bjb h ALA 21 Cb 1.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1bjb h ALA 21 CO -0.04 0.06 0.50 0.93 0.00 0.00 0.00 179.25 180.70 1bjb h GLU 22 N 0.43 1.24 -0.05 0.00 4.39 -0.67 -0.18 114.58 119.74 1bjb h GLU 22 Ca 0.19 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1bjb h GLU 22 Cb 0.21 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1bjb h GLU 22 CO -0.05 0.90 -0.06 0.38 -1.16 0.00 0.00 179.01 179.03 1bjb h ASP 23 N 1.24 0.14 -0.16 1.42 3.04 -0.96 -2.84 116.42 118.30 1bjb h ASP 23 Ca 0.32 -0.49 0.05 0.00 -3.24 0.00 0.00 57.03 53.66 1bjb h ASP 23 Cb 0.01 -0.04 -0.06 0.00 -1.04 0.00 0.00 39.33 38.20 1bjb h ASP 23 CO -0.05 0.61 -0.23 0.58 -2.04 0.00 0.00 179.24 178.10 1bjb h VAL 24 N -0.32 0.43 0.00 4.15 2.07 -0.98 -3.43 116.25 118.17 1bjb h VAL 24 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1bjb h VAL 24 Cb 0.57 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 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 -1.36 0.00 2.19 2.17 0.00 -0.38 -4.97 105.19 102.83 1bjb n GLY 25 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1bjb n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bjb n SER 26 N 0.00 -1.41 0.00 1.61 3.41 -0.22 -4.29 113.62 112.72 1bjb n SER 26 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1bjb n SER 26 Cb 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 1bjb n SER 26 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bjb n ASN 27 N -1.04 0.00 -0.23 4.04 3.02 -1.24 -4.92 115.26 114.89 1bjb n ASN 27 Ca -0.03 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.67 1bjb n ASN 27 Cb 0.42 0.28 0.75 0.00 -0.61 0.00 0.00 39.78 40.62 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93