#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn3 h VAL 2 N 0.00 0.87 -1.46 1.97 2.07 -2.01 -3.41 116.25 114.27 2bn3 h VAL 2 Ca 0.00 -2.70 -0.76 0.00 0.82 0.00 0.00 66.70 64.06 2bn3 h VAL 2 Cb 0.00 2.45 -0.16 0.00 -1.52 0.00 0.00 31.29 32.06 2bn3 h VAL 2 CO 0.00 0.55 2.04 0.59 0.02 0.00 0.00 177.57 180.76 2bn3 n ASN 3 N -3.10 7.71 -3.33 0.57 3.02 -1.26 -4.83 115.26 114.03 2bn3 n ASN 3 Ca -0.17 -3.28 -0.10 0.00 -0.03 0.00 0.00 54.58 51.00 2bn3 n ASN 3 Cb 1.05 -1.32 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2bn3 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bn3 s GLN 4 N -1.87 1.99 0.00 3.52 -2.07 -1.26 -5.12 119.66 114.85 2bn3 s GLN 4 Ca 0.49 -1.38 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 2bn3 s GLN 4 Cb 0.18 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.62 2bn3 s GLN 4 CO -0.09 -0.90 1.21 -1.01 -1.32 0.00 0.00 175.29 173.18 2bn3 s HIS 5 N -3.02 3.28 -0.16 9.60 3.76 -1.26 -5.01 115.29 122.48 2bn3 s HIS 5 Ca 0.18 1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 56.32 2bn3 s HIS 5 Cb -0.04 -3.43 0.04 0.00 1.11 0.00 0.00 32.58 30.26 2bn3 s HIS 5 CO 0.12 -1.36 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.08 2bn3 s LEU 6 N 1.68 1.59 0.07 0.89 1.43 -1.26 -5.03 118.68 118.05 2bn3 s LEU 6 Ca 0.58 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2bn3 s LEU 6 Cb -0.27 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2bn3 s LEU 6 CO 0.26 -0.18 -0.17 0.00 0.23 0.00 0.00 176.35 176.49 2bn3 n GLY 8 N 1.41 3.34 0.29 0.00 0.00 -1.26 -1.43 105.19 107.54 2bn3 n GLY 8 Ca -0.20 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.78 2bn3 n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bn3 h SER 9 N 2.96 0.00 -0.40 1.61 4.64 -1.99 -1.55 113.55 118.83 2bn3 h SER 9 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2bn3 h SER 9 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2bn3 h SER 9 CO 0.00 0.00 -0.14 0.45 -0.87 0.00 0.00 176.83 176.27 2bn3 h HIS 10 N 0.00 0.97 -0.13 4.77 -0.00 -1.62 -1.24 115.15 117.89 2bn3 h HIS 10 Ca 0.01 -0.20 -0.07 0.00 -0.00 0.00 0.00 60.37 60.10 2bn3 h HIS 10 Cb 0.03 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.20 2bn3 h HIS 10 CO 0.00 0.95 -0.20 1.25 -0.00 0.00 0.00 177.93 179.92 2bn3 h LEU 11 N 0.77 0.41 -1.20 2.43 5.85 -1.27 -2.39 115.31 119.91 2bn3 h LEU 11 Ca 0.12 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.23 2bn3 h LEU 11 Cb 0.67 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2bn3 h LEU 11 CO 0.05 0.86 -0.31 1.62 -0.34 0.00 0.00 178.44 180.32 2bn3 h VAL 12 N -0.03 1.25 -0.39 1.05 3.04 -1.37 -1.22 116.25 118.58 2bn3 h VAL 12 Ca 0.01 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 2bn3 h VAL 12 Cb 0.77 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 2bn3 h VAL 12 CO 0.05 0.35 0.25 -0.33 -1.01 0.00 0.00 177.57 176.89 2bn3 h GLU 13 N 0.13 0.51 -0.46 4.17 5.08 -1.21 0.21 114.58 123.00 2bn3 h GLU 13 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2bn3 h GLU 13 Cb 0.62 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2bn3 h GLU 13 CO 0.04 0.34 0.17 0.00 -1.00 0.00 0.00 179.01 178.56 2bn3 h ALA 14 N 1.14 0.60 -0.56 3.43 0.00 -0.93 -0.13 119.26 122.81 2bn3 h ALA 14 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bn3 h ALA 14 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2bn3 h ALA 14 CO -0.03 0.23 0.32 -0.07 0.00 0.00 0.00 179.25 179.70 2bn3 h LEU 15 N 0.61 0.50 -0.31 0.00 3.38 -1.03 -0.25 115.31 118.19 2bn3 h LEU 15 Ca 0.15 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2bn3 h LEU 15 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2bn3 h LEU 15 CO -0.01 0.34 0.17 0.22 0.09 0.00 0.00 178.44 179.25 2bn3 h TYR 16 N 0.62 0.31 -0.40 1.13 3.20 0.08 0.05 116.97 121.96 2bn3 h TYR 16 Ca 0.23 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 2bn3 h TYR 16 Cb 0.07 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2bn3 h TYR 16 CO -0.07 0.17 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.21 2bn3 h LEU 17 N 0.34 1.00 -0.19 2.82 3.38 -0.76 -2.25 115.31 119.65 2bn3 h LEU 17 Ca 0.13 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2bn3 h LEU 17 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2bn3 h LEU 17 CO -0.08 1.24 -0.24 0.58 0.09 0.00 0.00 178.44 180.03 2bn3 h VAL 18 N 0.77 1.34 0.00 1.22 2.07 -0.94 -3.31 116.25 117.40 2bn3 h VAL 18 Ca 0.07 -1.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.03 2bn3 h VAL 18 Cb 0.94 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2bn3 h VAL 18 CO 0.09 0.44 -0.62 0.00 0.02 0.00 0.00 177.57 177.49 2bn3 n GLY 20 N 1.14 3.12 0.11 0.00 0.00 -0.85 -1.99 105.19 106.72 2bn3 n GLY 20 Ca 0.01 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.96 2bn3 n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bn3 n GLU 21 N 14.00 0.15 0.07 1.61 0.28 -1.26 -1.42 120.64 134.07 2bn3 n GLU 21 Ca 0.00 0.42 0.02 0.00 -0.16 0.00 0.00 57.16 57.44 2bn3 n GLU 21 Cb 0.00 -1.80 0.37 0.00 1.43 0.00 0.00 31.44 31.44 2bn3 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bn3 h ARG 22 N 0.00 0.37 0.00 3.44 3.08 -1.80 -3.49 114.38 115.97 2bn3 h ARG 22 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bn3 h ARG 22 Cb 0.29 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2bn3 h ARG 22 CO 0.00 0.42 -0.03 0.41 -1.07 0.00 0.00 179.97 179.70 2bn3 n GLY 23 N -0.99 -1.11 3.79 0.04 0.00 -0.51 -5.04 105.19 101.38 2bn3 n GLY 23 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2bn3 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bn3 s PHE 24 N -0.12 -0.20 -0.08 1.61 -0.12 -1.26 -4.81 117.98 113.00 2bn3 s PHE 24 Ca 0.00 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 56.71 2bn3 s PHE 24 Cb 0.00 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 43.04 2bn3 s PHE 24 CO 0.00 -1.17 -0.22 -0.59 -0.05 0.00 0.00 175.22 173.19 2bn3 s PHE 25 N -3.90 2.54 -0.32 3.49 -0.71 -1.26 -5.11 117.98 112.71 2bn3 s PHE 25 Ca 0.10 -0.71 -0.01 0.00 -1.04 0.00 0.00 56.93 55.27 2bn3 s PHE 25 Cb -0.05 -1.66 0.07 0.00 -1.21 0.00 0.00 43.02 40.17 2bn3 s PHE 25 CO 0.04 -0.21 0.04 -0.47 -1.34 0.00 0.00 175.22 173.28 2bn3 s TYR 26 N -0.05 3.37 -0.54 3.49 5.04 -1.26 -5.04 117.35 122.36 2bn3 s TYR 26 Ca -0.06 -2.09 0.06 0.00 -2.44 0.00 0.00 57.07 52.55 2bn3 s TYR 26 Cb -0.15 -2.39 0.24 0.00 0.35 0.00 0.00 41.96 40.01 2bn3 s TYR 26 CO 0.05 -0.85 0.61 2.41 -1.34 0.00 0.00 175.55 176.42 2bn3 n THR 27 N 4.58 0.90 0.32 4.34 -1.04 -1.26 -4.96 114.28 117.16 2bn3 n THR 27 Ca -0.10 -4.60 0.21 0.00 -2.04 0.00 0.00 64.05 57.52 2bn3 n THR 27 Cb 0.43 -2.02 1.06 0.00 -1.82 0.00 0.00 70.33 67.98 2bn3 n THR 27 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2bn3 h PRO 28 N 4.35 0.00 0.00 -2.82 0.13 -2.06 -1.86 132.00 129.74 2bn3 h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2bn3 h PRO 28 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2bn3 h PRO 28 CO 0.65 0.00 -0.34 0.87 -0.23 0.00 0.00 178.00 178.95 2bn3 h LYS 29 N 0.00 0.00 -0.03 0.86 1.79 -2.06 -3.55 116.57 113.58 2bn3 h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bn3 h LYS 29 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2bn3 h LYS 29 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37