#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2b n VAL 2 N 0.00 1.59 -2.40 -2.13 0.31 -1.26 -4.68 118.33 109.76 1b2b n VAL 2 Ca 0.00 -0.73 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 1b2b n VAL 2 Cb 0.00 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1b2b n VAL 2 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b2b n ASN 3 N -3.14 5.78 -2.43 4.52 3.02 -1.26 -4.88 115.26 116.87 1b2b n ASN 3 Ca -0.30 -3.18 -0.06 0.00 -0.03 0.00 0.00 54.58 51.01 1b2b n ASN 3 Cb 1.06 -1.42 0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1b2b n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b2b n GLN 4 N 3.04 0.83 -2.71 3.52 10.64 -1.26 -5.12 117.38 126.33 1b2b n GLN 4 Ca 0.41 -1.65 -0.43 0.00 -1.83 0.00 0.00 57.00 53.50 1b2b n GLN 4 Cb 0.34 2.07 -0.03 0.00 -0.86 0.00 0.00 30.24 31.77 1b2b n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1b2b s HIS 5 N -3.63 3.26 -0.25 2.61 3.76 -1.26 -5.01 115.29 114.78 1b2b s HIS 5 Ca 0.13 1.28 -0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1b2b s HIS 5 Cb -0.04 -3.38 0.04 0.00 1.11 0.00 0.00 32.58 30.31 1b2b s HIS 5 CO 0.09 -0.57 -0.08 -0.51 -0.85 0.00 0.00 174.74 172.82 1b2b s LEU 6 N 3.28 3.24 0.11 0.89 1.43 -1.26 -5.01 118.68 121.36 1b2b s LEU 6 Ca 0.42 -1.01 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1b2b s LEU 6 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1b2b s LEU 6 CO 0.10 -0.15 -0.18 0.00 0.23 0.00 0.00 176.35 176.35 1b2b n GLY 8 N 0.83 3.35 0.27 0.00 0.00 -1.26 -1.70 105.19 106.67 1b2b n GLY 8 Ca -0.18 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1b2b n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b2b h SER 9 N 0.03 0.00 -0.29 1.61 4.64 -1.99 -1.65 113.55 115.91 1b2b h SER 9 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1b2b h SER 9 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1b2b h SER 9 CO 0.00 0.03 -0.23 0.45 -0.87 0.00 0.00 176.83 176.21 1b2b h HIS 10 N 0.00 0.88 -0.13 4.77 -0.00 -1.71 -1.30 115.15 117.66 1b2b h HIS 10 Ca -0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 60.37 60.02 1b2b h HIS 10 Cb 0.06 -0.21 0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1b2b h HIS 10 CO 0.00 0.93 -0.51 1.25 -0.00 0.00 0.00 177.93 179.60 1b2b h LEU 11 N 0.67 0.67 -1.03 2.43 5.85 -1.28 -2.80 115.31 119.83 1b2b h LEU 11 Ca 0.09 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1b2b h LEU 11 Cb 0.75 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1b2b h LEU 11 CO 0.06 1.18 0.66 0.58 -0.34 0.00 0.00 178.44 180.57 1b2b h VAL 12 N 0.20 1.23 -0.37 1.05 2.07 -1.28 -1.79 116.25 117.37 1b2b h VAL 12 Ca -0.03 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1b2b h VAL 12 Cb 1.14 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1b2b h VAL 12 CO 0.11 0.24 -0.25 -0.08 0.02 0.00 0.00 177.57 177.61 1b2b h GLU 13 N 1.32 0.74 -0.39 1.57 4.81 -1.24 -1.48 114.58 119.91 1b2b h GLU 13 Ca 0.37 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1b2b h GLU 13 Cb -0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1b2b h GLU 13 CO -0.09 0.91 0.10 0.00 -0.73 0.00 0.00 179.01 179.20 1b2b h ALA 14 N 1.08 0.52 -0.87 2.92 0.00 -1.16 -1.47 119.26 120.27 1b2b h ALA 14 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1b2b h ALA 14 Cb 0.76 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1b2b h ALA 14 CO 0.06 0.19 0.45 -0.07 0.00 0.00 0.00 179.25 179.89 1b2b h LEU 15 N 0.49 1.11 -0.26 0.00 3.38 -1.18 -0.36 115.31 118.50 1b2b h LEU 15 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1b2b h LEU 15 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1b2b h LEU 15 CO 0.00 0.91 0.17 0.22 0.09 0.00 0.00 178.44 179.82 1b2b h TYR 16 N 1.22 0.33 -0.36 1.13 3.20 -0.98 -0.16 116.97 121.35 1b2b h TYR 16 Ca 0.30 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.04 1b2b h TYR 16 Cb 0.06 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1b2b h TYR 16 CO 0.01 0.22 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.36 1b2b h LEU 17 N 0.34 0.91 -0.00 2.82 3.38 -1.02 -2.62 115.31 119.10 1b2b h LEU 17 Ca 0.09 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1b2b h LEU 17 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1b2b h LEU 17 CO -0.02 1.18 -0.01 0.58 0.09 0.00 0.00 178.44 180.25 1b2b h VAL 18 N 0.65 1.51 0.00 1.22 2.07 -1.02 -3.34 116.25 117.34 1b2b h VAL 18 Ca 0.06 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 1b2b h VAL 18 Cb 0.91 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1b2b h VAL 18 CO 0.08 0.40 -0.45 0.00 0.02 0.00 0.00 177.57 177.62 1b2b n GLY 20 N 0.37 3.23 0.00 0.00 0.00 -0.99 -2.12 105.19 105.68 1b2b n GLY 20 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1b2b n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b2b n GLU 21 N 14.00 0.05 0.12 1.61 -0.58 -1.26 -2.10 120.64 132.48 1b2b n GLU 21 Ca 0.00 0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 56.94 1b2b n GLU 21 Cb 0.00 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.48 1b2b n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b2b h ARG 22 N 0.00 0.00 0.00 3.49 3.08 -1.83 -3.49 114.38 115.62 1b2b h ARG 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b2b h ARG 22 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1b2b h ARG 22 CO 0.00 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 1b2b n GLY 23 N 0.56 -2.20 3.83 0.04 0.00 -0.89 -5.06 105.19 101.46 1b2b n GLY 23 Ca -0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 1b2b n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b2b s PHE 24 N -0.46 0.02 -0.02 1.61 -0.12 -1.26 -4.78 117.98 112.96 1b2b s PHE 24 Ca 0.00 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1b2b s PHE 24 Cb 0.00 0.74 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1b2b s PHE 24 CO 0.00 -1.16 -0.14 -0.59 -0.05 0.00 0.00 175.22 173.29 1b2b s PHE 25 N -2.62 1.30 -0.24 3.49 -0.71 -1.26 -5.12 117.98 112.82 1b2b s PHE 25 Ca 0.17 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 1b2b s PHE 25 Cb -0.04 -0.86 0.05 0.00 -1.21 0.00 0.00 43.02 40.96 1b2b s PHE 25 CO 0.07 -0.07 -0.13 -0.47 -1.34 0.00 0.00 175.22 173.28 1b2b s TYR 26 N -0.14 3.15 -0.47 3.49 5.04 -1.26 -5.07 117.35 122.11 1b2b s TYR 26 Ca 0.02 -2.15 0.04 0.00 -2.44 0.00 0.00 57.07 52.53 1b2b s TYR 26 Cb -0.07 -1.93 0.12 0.00 0.35 0.00 0.00 41.96 40.43 1b2b s TYR 26 CO 0.00 -0.86 0.21 0.99 -1.34 0.00 0.00 175.55 174.55 1b2b s THR 27 N 1.15 2.28 0.16 4.34 2.01 -1.26 -4.98 115.64 119.34 1b2b s THR 27 Ca -0.05 -2.95 -0.15 0.00 0.31 0.00 0.00 61.69 58.84 1b2b s THR 27 Cb -0.18 -2.61 0.05 0.00 0.01 0.00 0.00 72.50 69.77 1b2b s THR 27 CO -0.07 -0.77 1.74 -0.65 -0.69 0.00 0.00 174.62 174.18 1b2b h PRO 28 N 6.80 0.25 -4.34 4.92 0.11 -2.05 -3.35 132.00 134.34 1b2b h PRO 28 Ca -0.06 -0.01 -0.72 0.00 0.11 0.00 0.00 66.00 65.31 1b2b h PRO 28 Cb 0.93 -0.06 -0.29 0.00 0.11 0.00 0.00 31.00 31.69 1b2b h PRO 28 CO 0.62 0.16 -0.41 0.15 -0.21 0.00 0.00 178.00 178.31 1b2b s LYS 29 N -6.16 2.51 0.00 1.05 1.02 -1.26 -5.24 119.74 111.66 1b2b s LYS 29 Ca -0.13 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.17 1b2b s LYS 29 Cb 0.13 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1b2b s LYS 29 CO 0.71 -1.13 0.00 0.00 -0.92 0.00 0.00 175.35 174.01