#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 -1.09 -1.15 2.24 0.00 -1.26 -1.04 120.51 118.21 1bjb n ALA 2 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1bjb n ALA 2 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.28 -1.28 -0.07 0.00 -0.00 -1.26 -4.76 120.64 110.00 1bjb n GLU 3 Ca 0.04 0.46 -0.04 0.00 -0.00 0.00 0.00 57.16 57.62 1bjb n GLU 3 Cb 0.49 -4.52 0.17 0.00 -0.00 0.00 0.00 31.44 27.57 1bjb n GLU 3 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1bjb h PHE 4 N 0.00 0.76 -0.30 -1.84 3.57 -1.44 -1.23 116.94 116.46 1bjb h PHE 4 Ca -0.15 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 1bjb h PHE 4 Cb 0.53 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1bjb h PHE 4 CO 0.24 0.77 0.00 2.89 -2.23 0.00 0.00 178.31 179.98 1bjb n ARG 5 N -4.19 3.00 0.00 1.11 0.00 -1.26 -1.08 116.66 114.24 1bjb n ARG 5 Ca 0.01 -1.62 -0.01 0.00 -0.00 0.00 0.00 57.85 56.23 1bjb n ARG 5 Cb 0.34 -1.89 -0.00 0.00 -0.00 0.00 0.00 32.46 30.90 1bjb n ARG 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1bjb n HIS 6 N 0.31 0.00 -2.27 2.89 8.25 -0.54 -4.66 115.22 119.21 1bjb n HIS 6 Ca 0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1bjb n HIS 6 Cb 0.74 -0.04 0.07 0.00 1.12 0.00 0.00 29.99 31.88 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 -3.15 2.26 -1.07 0.41 2.03 -0.76 -4.78 116.55 111.47 1bjb n ASP 7 Ca -0.02 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.42 1bjb n ASP 7 Cb 0.43 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1bjb n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1bjb n SER 8 N -0.46 -0.20 0.00 1.67 3.41 -1.02 -5.01 113.62 112.01 1bjb n SER 8 Ca 0.18 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1bjb n SER 8 Cb 0.91 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.11 -1.81 0.33 5.00 0.00 -0.25 -4.70 105.19 103.65 1bjb n GLY 9 Ca -0.04 0.82 0.24 0.00 0.00 0.00 0.00 46.02 47.04 1bjb n GLY 9 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bjb h TYR 10 N 0.00 0.80 -4.51 1.61 -0.00 -1.83 -3.38 116.97 109.66 1bjb h TYR 10 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 1bjb h TYR 10 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 36.54 1bjb h TYR 10 CO 0.00 -0.27 0.00 0.39 -0.00 0.00 0.00 178.16 178.28 1bjb n GLU 11 N -5.14 -0.41 0.05 0.10 1.02 -1.26 -4.94 120.64 110.05 1bjb n GLU 11 Ca 0.32 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1bjb n GLU 11 Cb 1.02 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1bjb n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1bjb n VAL 12 N 2.14 0.50 -0.89 2.62 0.31 -1.26 -5.04 118.33 116.71 1bjb n VAL 12 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1bjb n VAL 12 Cb 0.00 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.12 0.00 0.00 3.52 8.25 -1.26 -4.90 115.22 117.71 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 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.68 0.00 0.29 4.41 8.25 -1.26 -4.40 115.22 119.83 1bjb n HIS 14 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1bjb n HIS 14 Cb 0.00 0.00 0.82 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.13 -0.41 7.50 -1.99 -2.44 115.11 117.64 1bjb h GLN 15 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1bjb h GLN 15 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1bjb h GLN 15 CO 0.00 0.00 0.08 1.49 -1.50 0.00 0.00 178.83 178.90 1bjb h GLU 16 N 0.00 0.18 0.00 1.46 4.81 -1.94 0.37 114.58 119.47 1bjb h GLU 16 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bjb h GLU 16 Cb 0.16 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1bjb h GLU 16 CO 0.00 0.17 0.00 -0.07 -0.73 0.00 0.00 179.01 178.38 1bjb h LEU 17 N 0.14 0.00 0.02 1.64 3.38 -1.64 -1.61 115.31 117.25 1bjb h LEU 17 Ca 0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1bjb h LEU 17 Cb 0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1bjb h LEU 17 CO -0.01 0.00 -0.90 0.58 0.09 0.00 0.00 178.44 178.20 1bjb h VAL 18 N 0.00 1.34 0.00 1.22 2.07 -1.35 0.12 116.25 119.65 1bjb h VAL 18 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1bjb h VAL 18 Cb 0.59 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1bjb h VAL 18 CO 0.00 0.67 0.00 2.19 0.02 0.00 0.00 177.57 180.45 1bjb h PHE 19 N 0.16 0.00 0.21 1.57 -5.15 -0.77 0.13 116.94 113.09 1bjb h PHE 19 Ca -0.12 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.37 1bjb h PHE 19 Cb 1.59 0.00 0.03 0.00 0.22 0.00 0.00 35.95 37.79 1bjb h PHE 19 CO 0.13 0.00 -1.24 0.35 -2.00 0.00 0.00 178.31 175.55 1bjb h PHE 20 N 0.00 0.84 -0.18 6.09 3.57 -1.24 -1.87 116.94 124.15 1bjb h PHE 20 Ca 0.00 -0.61 -0.11 0.00 3.53 0.00 0.00 57.97 60.79 1bjb h PHE 20 Cb 0.92 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1bjb h PHE 20 CO 0.00 1.47 -0.35 0.00 -2.23 0.00 0.00 178.31 177.20 1bjb h ALA 21 N 0.13 1.08 0.00 2.41 0.00 -0.55 -0.27 119.26 122.05 1bjb h ALA 21 Ca -0.22 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1bjb h ALA 21 Cb 1.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1bjb h ALA 21 CO 0.23 0.58 -0.41 1.49 0.00 0.00 0.00 179.25 181.15 1bjb h GLU 22 N 0.32 0.00 0.04 0.00 4.22 -0.72 0.12 114.58 118.56 1bjb h GLU 22 Ca 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 1bjb h GLU 22 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1bjb h GLU 22 CO 0.06 0.41 -0.02 0.22 -2.18 0.00 0.00 179.01 177.50 1bjb h ASP 23 N 0.00 -0.04 0.36 1.04 3.58 -0.46 -3.29 116.42 117.60 1bjb h ASP 23 Ca -0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1bjb h ASP 23 Cb 0.85 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1bjb h ASP 23 CO 0.05 0.68 0.00 0.52 -2.88 0.00 0.00 179.24 177.62 1bjb n VAL 24 N -4.74 0.07 -3.04 2.25 0.31 -0.20 -4.94 118.33 108.05 1bjb n VAL 24 Ca -0.06 0.02 -0.06 0.00 -0.01 0.00 0.00 64.34 64.22 1bjb n VAL 24 Cb 0.27 -0.56 0.01 0.00 -0.91 0.00 0.00 33.84 32.64 1bjb n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bjb n GLY 25 N 0.98 -1.21 3.28 2.92 0.00 0.25 -1.66 105.19 109.75 1bjb n GLY 25 Ca 0.16 0.83 -0.22 0.00 0.00 0.00 0.00 46.02 46.79 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 -1.16 -3.50 -3.30 1.61 3.41 -0.17 -1.80 113.62 108.71 1bjb n SER 26 Ca 0.03 -0.32 -0.16 0.00 -0.26 0.00 0.00 58.87 58.16 1bjb n SER 26 Cb 0.50 -2.92 0.06 0.00 -0.26 0.00 0.00 64.21 61.59 1bjb n SER 26 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bjb n ASN 27 N -2.21 -6.59 0.00 4.04 2.85 -1.17 -5.15 115.26 107.04 1bjb n ASN 27 Ca -0.02 -0.67 0.14 0.00 -0.11 0.00 0.00 54.58 53.91 1bjb n ASN 27 Cb 0.54 -4.90 0.81 0.00 1.24 0.00 0.00 39.78 37.48 1bjb n ASN 27 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32