#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqe n HIS 1 N 0.00 -0.65 -3.54 1.61 -0.00 -1.26 -5.16 115.22 106.22 2gqe n HIS 1 Ca 0.00 -2.06 -0.11 0.00 -0.00 0.00 0.00 57.72 55.55 2gqe n HIS 1 Cb 0.00 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.99 29.56 2gqe n HIS 1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gqe s MET 2 N -3.99 1.23 0.25 -1.40 0.00 -1.26 -5.18 119.30 108.95 2gqe s MET 2 Ca 0.27 -0.61 0.11 0.00 0.00 0.00 0.00 55.69 55.46 2gqe s MET 2 Cb -0.02 0.54 -0.05 0.00 0.00 0.00 0.00 34.83 35.30 2gqe s MET 2 CO 0.17 -0.52 -0.19 0.14 0.00 0.00 0.00 175.02 174.62 2gqe s VAL 3 N -3.79 2.25 -0.34 5.16 -7.23 -1.26 -5.04 120.40 110.15 2gqe s VAL 3 Ca 0.03 -2.30 0.22 0.00 -1.81 0.00 0.00 61.98 58.12 2gqe s VAL 3 Cb -0.00 -2.19 -0.16 0.00 0.56 0.00 0.00 36.38 34.58 2gqe s VAL 3 CO -0.11 -0.42 0.85 2.30 -0.31 0.00 0.00 175.10 177.41 2gqe n ILE 4 N -0.43 0.23 0.00 -0.62 -5.35 -1.26 -5.08 119.36 106.84 2gqe n ILE 4 Ca -0.07 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2gqe n ILE 4 Cb 0.60 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 2gqe n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gqe n GLY 5 N 1.29 2.48 3.55 3.28 0.00 -1.26 -5.01 105.19 109.52 2gqe n GLY 5 Ca -0.00 -1.94 -0.50 0.00 0.00 0.00 0.00 46.02 43.58 2gqe n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gqe n THR 6 N 1.01 0.91 -4.10 2.61 -2.24 -1.26 -4.34 114.28 106.88 2gqe n THR 6 Ca 0.00 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 2gqe n THR 6 Cb 0.00 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.53 2gqe n THR 6 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2gqe s TRP 7 N -0.27 3.39 -0.14 4.78 1.48 0.98 -4.83 118.94 124.33 2gqe s TRP 7 Ca 0.74 0.36 -0.11 0.00 -1.06 0.00 0.00 56.10 56.04 2gqe s TRP 7 Cb -0.92 -1.88 -0.05 0.00 -1.16 0.00 0.00 33.47 29.46 2gqe s TRP 7 CO 0.53 0.59 0.23 -0.51 -4.06 0.00 0.00 176.95 173.74 2gqe s ASP 8 N -0.89 6.42 1.30 -2.66 1.11 -1.26 -0.67 116.67 120.02 2gqe s ASP 8 Ca 0.14 0.49 -0.17 0.00 0.18 0.00 0.00 52.55 53.19 2gqe s ASP 8 Cb -0.12 -2.14 0.33 0.00 1.07 0.00 0.00 42.92 42.07 2gqe s ASP 8 CO 0.03 0.23 0.97 0.00 1.18 0.00 0.00 175.17 177.58 2gqe n ASP 10 N -5.34 0.57 0.05 0.00 5.75 -1.26 -4.56 116.55 111.74 2gqe n ASP 10 Ca 0.06 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 2gqe n ASP 10 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2gqe n THR 11 N -0.12 0.49 0.23 2.12 -1.04 -1.26 -4.84 114.28 109.85 2gqe n THR 11 Ca 0.00 0.16 0.11 0.00 -2.04 0.00 0.00 64.05 62.29 2gqe n THR 11 Cb 0.35 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 2gqe n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqe n LEU 13 N -2.43 -4.57 -3.71 0.00 4.77 -1.26 -5.07 117.00 104.72 2gqe n LEU 13 Ca 0.00 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2gqe n LEU 13 Cb 0.52 -2.14 -0.11 0.00 -2.33 0.00 0.00 43.42 39.36 2gqe n LEU 13 CO 0.40 -0.81 0.01 -0.69 -1.33 0.00 0.00 177.39 174.98 2gqe s VAL 14 N -2.46 -0.03 0.37 4.08 1.01 -1.26 -4.91 120.40 117.21 2gqe s VAL 14 Ca 0.05 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 2gqe s VAL 14 Cb -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 2gqe s VAL 14 CO 0.37 0.04 0.87 -1.10 0.00 0.00 0.00 175.10 175.27 2gqe s GLN 15 N 1.22 4.20 0.08 2.72 -0.21 -1.26 -0.97 119.66 125.45 2gqe s GLN 15 Ca -0.08 0.98 -0.09 0.00 0.02 0.00 0.00 55.36 56.19 2gqe s GLN 15 Cb -0.08 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.55 2gqe s GLN 15 CO -0.10 0.09 0.19 -0.80 -2.12 0.00 0.00 175.29 172.55 2gqe s ASN 16 N -2.11 0.11 0.45 5.90 0.01 0.15 -4.77 114.94 114.69 2gqe s ASN 16 Ca 0.57 -0.63 -0.21 0.00 -0.71 0.00 0.00 52.86 51.88 2gqe s ASN 16 Cb -0.11 0.33 -0.09 0.00 0.41 0.00 0.00 41.25 41.79 2gqe s ASN 16 CO 0.16 -0.71 1.01 -1.59 -1.51 0.00 0.00 177.10 174.45 2gqe s LYS 17 N -3.75 4.00 0.00 -0.60 -2.85 -1.26 -0.01 119.74 115.27 2gqe s LYS 17 Ca 0.04 1.29 0.14 0.00 -1.00 0.00 0.00 55.97 56.44 2gqe s LYS 17 Cb 0.04 -2.18 0.62 0.00 -2.06 0.00 0.00 37.83 34.25 2gqe s LYS 17 CO -0.10 -0.25 1.45 -0.35 0.10 0.00 0.00 175.35 176.20 2gqe n PRO 18 N -0.73 0.01 0.00 1.78 -0.04 -1.26 -2.02 135.00 132.74 2gqe n PRO 18 Ca 0.08 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2gqe n PRO 18 Cb 0.53 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 2gqe n PRO 18 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqe n GLU 19 N -1.49 0.41 -2.26 0.54 1.02 -1.26 -4.89 120.64 112.71 2gqe n GLU 19 Ca 0.04 -0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 56.73 2gqe n GLU 19 Cb 0.16 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.16 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gqe s ALA 20 N -2.72 3.22 -0.25 0.62 0.00 -0.85 -5.02 121.76 116.75 2gqe s ALA 20 Ca 0.20 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.21 2gqe s ALA 20 Cb 0.19 -2.51 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 2gqe s ALA 20 CO 0.57 -1.34 0.32 0.44 0.00 0.00 0.00 175.76 175.75 2gqe n ILE 21 N -2.91 0.00 -3.87 0.00 -5.35 -1.26 -4.97 119.36 101.00 2gqe n ILE 21 Ca 0.09 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.24 2gqe n ILE 21 Cb 0.60 0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2gqe s LYS 22 N -2.31 1.85 0.96 6.28 -2.85 -1.26 -0.82 119.74 121.59 2gqe s LYS 22 Ca 0.00 -1.13 -0.11 0.00 -1.00 0.00 0.00 55.97 53.73 2gqe s LYS 22 Cb 0.07 0.59 0.14 0.00 -2.06 0.00 0.00 37.83 36.57 2gqe s LYS 22 CO 0.41 -0.84 0.96 0.00 0.10 0.00 0.00 175.35 175.99 2gqe n VAL 24 N -4.22 2.39 0.00 0.00 3.14 -1.26 -3.68 118.33 114.70 2gqe n VAL 24 Ca 0.10 -2.00 0.00 0.00 -2.96 0.00 0.00 64.34 59.48 2gqe n VAL 24 Cb 0.53 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 2gqe n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gqe n ALA 25 N -0.58 2.44 0.34 1.55 0.00 -1.26 -4.90 120.51 118.10 2gqe n ALA 25 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.75 2gqe n ALA 25 Cb 0.96 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.33 2gqe n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqe n GLU 27 N -1.53 -3.09 -2.62 0.00 1.02 -1.24 -4.97 120.64 108.21 2gqe n GLU 27 Ca 0.01 0.34 -0.37 0.00 -0.02 0.00 0.00 57.16 57.12 2gqe n GLU 27 Cb 0.24 -3.88 -0.05 0.00 -0.02 0.00 0.00 31.44 27.72 2gqe n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2gqe s THR 28 N -3.14 3.87 -0.24 2.62 2.01 -1.26 -4.60 115.64 114.90 2gqe s THR 28 Ca 0.16 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 2gqe s THR 28 Cb -0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2gqe s THR 28 CO 0.30 0.06 1.63 -2.16 -0.69 0.00 0.00 174.62 173.76 2gqe s PRO 29 N -2.31 3.72 0.41 4.92 0.04 -1.26 -0.62 135.00 139.90 2gqe s PRO 29 Ca 0.55 1.59 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 2gqe s PRO 29 Cb -0.21 -4.06 -0.11 0.00 0.04 0.00 0.00 34.50 30.16 2gqe s PRO 29 CO 0.27 -1.39 1.04 1.17 0.04 0.00 0.00 177.00 178.13 2gqe n LYS 30 N 7.79 1.42 0.00 4.56 4.81 -0.00 -4.95 118.16 131.79 2gqe n LYS 30 Ca 0.19 0.51 0.08 0.00 -0.87 0.00 0.00 58.31 58.22 2gqe n LYS 30 Cb 0.46 -2.06 0.46 0.00 0.02 0.00 0.00 35.03 33.91 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22