#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 -3.13 -1.67 0.00 -1.26 -4.97 120.51 109.48 1bjb n ALA 2 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1bjb n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 0.65 0.00 0.00 2.56 -1.26 -4.93 118.70 115.73 1bjb s GLU 3 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.88 1bjb s GLU 3 Cb 0.00 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.24 1bjb s GLU 3 CO 0.00 -0.99 0.00 1.97 -0.56 0.00 0.00 175.26 175.68 1bjb n PHE 4 N 4.49 0.00 -2.73 5.30 1.16 -1.26 -4.82 117.46 119.60 1bjb n PHE 4 Ca 0.09 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.62 1bjb n PHE 4 Cb 0.58 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.49 1bjb n PHE 4 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1bjb n ARG 5 N 0.00 1.38 0.00 3.97 0.63 -1.26 -2.56 116.66 118.82 1bjb n ARG 5 Ca 0.00 -3.27 0.00 0.00 -0.92 0.00 0.00 57.85 53.66 1bjb n ARG 5 Cb 0.00 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1bjb n ARG 5 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1bjb n HIS 6 N -0.32 -1.14 -2.36 -0.14 8.25 0.02 -4.33 115.22 115.20 1bjb n HIS 6 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1bjb n HIS 6 Cb 0.81 0.43 0.00 0.00 1.12 0.00 0.00 29.99 32.35 1bjb n HIS 6 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1bjb n ASP 7 N -2.35 -0.00 -2.30 0.41 8.00 -1.26 -4.76 116.55 114.29 1bjb n ASP 7 Ca 0.00 -2.03 -0.02 0.00 0.71 0.00 0.00 54.79 53.45 1bjb n ASP 7 Cb 0.00 0.03 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 1bjb n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bjb n SER 8 N -0.05 -1.01 0.00 -2.24 3.41 -1.26 -4.91 113.62 107.55 1bjb n SER 8 Ca -0.10 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1bjb n SER 8 Cb 0.90 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 -0.94 -0.10 5.70 5.00 0.00 -1.06 -4.44 105.19 109.36 1bjb n GLY 9 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -1.57 1.61 0.18 -1.26 -4.28 117.16 111.83 1bjb n TYR 10 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1bjb n TYR 10 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1bjb n TYR 10 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1bjb n GLU 11 N 4.20 0.00 0.00 -3.48 0.00 -1.26 -0.80 120.64 119.30 1bjb n GLU 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1bjb n GLU 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1bjb n GLU 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1bjb n VAL 12 N 0.00 0.00 -2.74 3.84 0.31 -1.26 -3.91 118.33 114.57 1bjb n VAL 12 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1bjb n VAL 12 Cb 0.35 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.30 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 0.00 -0.65 0.00 3.52 -0.00 -1.26 -4.90 115.22 111.93 1bjb n HIS 13 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 1bjb n HIS 13 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 1bjb n HIS 13 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1bjb n HIS 14 N -3.05 0.00 -0.01 4.41 8.25 -1.26 -4.86 115.22 118.71 1bjb n HIS 14 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1bjb n HIS 14 Cb 0.51 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 1bjb n HIS 14 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bjb n GLN 15 N -0.49 0.07 -0.36 -0.41 0.00 -1.26 -4.49 117.38 110.44 1bjb n GLN 15 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 57.00 57.01 1bjb n GLN 15 Cb 0.02 -1.00 0.12 0.00 0.00 0.00 0.00 30.24 29.39 1bjb n GLN 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1bjb h GLU 16 N -0.01 1.22 0.00 2.61 4.81 -1.92 -0.80 114.58 120.49 1bjb h GLU 16 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1bjb h GLU 16 Cb 1.09 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1bjb h GLU 16 CO -0.01 0.81 0.00 -0.07 -0.73 0.00 0.00 179.01 179.00 1bjb h LEU 17 N 1.26 0.00 0.01 1.64 3.38 -1.88 -1.90 115.31 117.81 1bjb h LEU 17 Ca 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 1bjb h LEU 17 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1bjb h LEU 17 CO -0.11 0.00 -0.25 0.58 0.09 0.00 0.00 178.44 178.75 1bjb h VAL 18 N 0.00 1.57 0.00 1.22 2.07 -1.39 0.14 116.25 119.86 1bjb h VAL 18 Ca 0.00 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.41 1bjb h VAL 18 Cb 0.49 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1bjb h VAL 18 CO 0.00 0.54 -0.51 2.19 0.02 0.00 0.00 177.57 179.81 1bjb h PHE 19 N -0.54 0.00 -0.22 1.57 -5.15 -1.35 0.95 116.94 112.19 1bjb h PHE 19 Ca -0.03 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.54 1bjb h PHE 19 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.20 1bjb h PHE 19 CO 0.19 0.51 -0.62 0.35 -2.00 0.00 0.00 178.31 176.74 1bjb h PHE 20 N 0.00 1.06 -0.32 6.09 3.57 -1.34 0.12 116.94 126.12 1bjb h PHE 20 Ca -0.01 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1bjb h PHE 20 Cb 1.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1bjb h PHE 20 CO 0.00 1.24 0.11 0.00 -2.23 0.00 0.00 178.31 177.44 1bjb h ALA 21 N 0.61 0.41 0.00 2.41 0.00 -0.30 -0.93 119.26 121.46 1bjb h ALA 21 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1bjb h ALA 21 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bjb h ALA 21 CO 0.13 0.03 -0.14 0.93 0.00 0.00 0.00 179.25 180.21 1bjb h GLU 22 N 0.36 0.00 0.00 0.00 4.39 -0.63 0.11 114.58 118.81 1bjb h GLU 22 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1bjb h GLU 22 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1bjb h GLU 22 CO -0.01 0.14 -0.00 0.22 -1.16 0.00 0.00 179.01 178.20 1bjb h ASP 23 N 0.00 -0.00 -0.25 1.42 3.58 0.49 -3.15 116.42 118.51 1bjb h ASP 23 Ca -0.00 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1bjb h ASP 23 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1bjb h ASP 23 CO 0.02 0.48 0.16 0.58 -2.88 0.00 0.00 179.24 177.59 1bjb h VAL 24 N -0.48 1.06 0.00 2.25 2.07 -0.83 -3.47 116.25 116.85 1bjb h VAL 24 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1bjb h VAL 24 Cb 0.48 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1bjb h VAL 24 CO 0.00 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1bjb n GLY 25 N -1.16 0.65 1.61 2.17 0.00 -0.04 -4.81 105.19 103.61 1bjb n GLY 25 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.64 -2.47 1.61 7.64 0.19 -4.37 113.62 115.57 1bjb n SER 26 Ca 0.00 -1.39 -0.17 0.00 1.01 0.00 0.00 58.87 58.32 1bjb n SER 26 Cb 0.00 0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.47 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 -4.92 0.00 6.43 2.85 -0.52 -4.92 115.26 113.68 1bjb n ASN 27 Ca -0.11 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1bjb n ASN 27 Cb 0.61 -4.12 0.00 0.00 1.24 0.00 0.00 39.78 37.51 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44