#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 -0.42 -1.02 1.61 -0.00 -1.26 -5.16 115.22 108.98 2gqe n HIS 1 Ca 0.00 -0.48 -0.33 0.00 -0.00 0.00 0.00 57.72 56.91 2gqe n HIS 1 Cb 0.00 0.22 0.13 0.00 -0.00 0.00 0.00 29.99 30.34 2gqe n HIS 1 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2gqe n MET 2 N -0.52 0.04 -1.70 -1.40 0.00 -1.26 -4.88 117.12 107.41 2gqe n MET 2 Ca 0.02 0.09 -0.43 0.00 -0.00 0.00 0.00 57.70 57.38 2gqe n MET 2 Cb 0.34 -2.37 -0.03 0.00 0.00 0.00 0.00 33.22 31.16 2gqe n MET 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2gqe n VAL 3 N -3.45 0.15 -1.94 1.12 0.24 -1.26 -4.90 118.33 108.29 2gqe n VAL 3 Ca 0.13 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.34 62.20 2gqe n VAL 3 Cb 0.51 -1.98 0.05 0.00 -1.47 0.00 0.00 33.84 30.95 2gqe n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqe n ILE 4 N 4.20 2.52 -0.37 1.34 3.06 -1.26 -4.61 119.36 124.25 2gqe n ILE 4 Ca 0.17 -4.04 0.00 0.00 -2.50 0.00 0.00 62.75 56.38 2gqe n ILE 4 Cb 0.35 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.51 2gqe n ILE 4 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2gqe n GLY 5 N -0.77 0.38 3.77 4.50 0.00 -1.26 -5.07 105.19 106.74 2gqe n GLY 5 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 2gqe n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gqe s THR 6 N -0.44 2.10 -0.11 2.61 -4.23 -1.26 -4.06 115.64 110.25 2gqe s THR 6 Ca 0.00 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2gqe s THR 6 Cb 0.00 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2gqe s THR 6 CO 0.00 0.02 0.11 -1.66 -0.54 0.00 0.00 174.62 172.55 2gqe s TRP 7 N -0.67 3.52 -0.09 3.99 1.48 0.63 -4.81 118.94 122.99 2gqe s TRP 7 Ca 0.57 0.47 -0.14 0.00 -1.06 0.00 0.00 56.10 55.93 2gqe s TRP 7 Cb -0.47 -1.91 -0.05 0.00 -1.16 0.00 0.00 33.47 29.88 2gqe s TRP 7 CO 0.56 0.69 0.35 -0.51 -4.06 0.00 0.00 176.95 173.99 2gqe s ASP 8 N -1.00 6.62 1.25 -2.66 1.11 -1.26 -0.64 116.67 120.10 2gqe s ASP 8 Ca 0.15 0.73 -0.17 0.00 0.18 0.00 0.00 52.55 53.44 2gqe s ASP 8 Cb -0.12 -2.21 0.31 0.00 1.07 0.00 0.00 42.92 41.97 2gqe s ASP 8 CO 0.04 0.20 1.01 0.00 1.18 0.00 0.00 175.17 177.60 2gqe n ASP 10 N -5.10 0.26 0.00 0.00 8.00 -1.26 -4.50 116.55 113.94 2gqe n ASP 10 Ca 0.08 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2gqe n ASP 10 Cb 0.58 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2gqe n THR 11 N -0.09 0.00 0.19 -3.53 -1.04 -1.26 -4.84 114.28 103.71 2gqe n THR 11 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2gqe n THR 11 Cb 0.52 -0.32 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.91 -7.09 -3.69 0.00 4.32 -1.26 -5.05 117.00 103.32 2gqe n LEU 13 Ca 0.01 0.28 -0.10 0.00 -0.02 0.00 0.00 56.01 56.17 2gqe n LEU 13 Cb 0.07 -3.19 -0.10 0.00 -1.62 0.00 0.00 43.42 38.58 2gqe n LEU 13 CO 0.07 -1.74 0.14 -0.69 -1.22 0.00 0.00 177.39 173.96 2gqe s VAL 14 N -2.69 -0.01 0.37 4.08 1.01 -1.26 -4.90 120.40 117.00 2gqe s VAL 14 Ca 0.14 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 2gqe s VAL 14 Cb -0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 2gqe s VAL 14 CO 0.70 0.02 0.83 -1.10 0.00 0.00 0.00 175.10 175.55 2gqe s GLN 15 N 1.19 4.09 0.06 2.72 -0.21 -1.26 -0.58 119.66 125.67 2gqe s GLN 15 Ca -0.07 0.85 -0.08 0.00 0.02 0.00 0.00 55.36 56.07 2gqe s GLN 15 Cb -0.07 -2.32 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 2gqe s GLN 15 CO -0.11 0.07 0.17 -0.80 -2.12 0.00 0.00 175.29 172.50 2gqe s ASN 16 N -2.27 0.11 0.46 5.90 0.01 0.19 -4.81 114.94 114.53 2gqe s ASN 16 Ca 0.57 -0.55 -0.23 0.00 -0.71 0.00 0.00 52.86 51.95 2gqe s ASN 16 Cb -0.10 0.30 -0.08 0.00 0.41 0.00 0.00 41.25 41.79 2gqe s ASN 16 CO 0.16 -0.64 1.15 -1.59 -1.51 0.00 0.00 177.10 174.67 2gqe s LYS 17 N -3.26 3.79 0.00 -0.60 -2.85 -1.26 -0.27 119.74 115.30 2gqe s LYS 17 Ca 0.00 1.74 0.14 0.00 -1.00 0.00 0.00 55.97 56.85 2gqe s LYS 17 Cb 0.02 -2.41 0.61 0.00 -2.06 0.00 0.00 37.83 34.00 2gqe s LYS 17 CO -0.08 -0.52 1.45 -0.35 0.10 0.00 0.00 175.35 175.96 2gqe n PRO 18 N -0.47 0.01 0.00 1.78 -0.04 -1.26 -2.01 135.00 133.01 2gqe n PRO 18 Ca 0.07 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2gqe n PRO 18 Cb 0.48 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.87 2gqe n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gqe n GLU 19 N -1.49 0.41 -2.35 0.54 2.13 -1.26 -4.89 120.64 113.73 2gqe n GLU 19 Ca 0.04 -0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.41 2gqe n GLU 19 Cb 0.16 -1.50 0.08 0.00 0.27 0.00 0.00 31.44 30.46 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gqe s ALA 20 N -2.72 3.34 -0.02 4.31 0.00 -0.85 -5.03 121.76 120.79 2gqe s ALA 20 Ca 0.20 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2gqe s ALA 20 Cb 0.19 -2.39 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 2gqe s ALA 20 CO 0.57 -1.30 0.18 -0.89 0.00 0.00 0.00 175.76 174.31 2gqe n ILE 21 N -2.85 0.05 -4.13 0.00 2.08 -1.26 -4.99 119.36 108.26 2gqe n ILE 21 Ca 0.10 -0.21 -0.16 0.00 0.56 0.00 0.00 62.75 63.04 2gqe n ILE 21 Cb 0.60 0.21 -0.05 0.00 -0.75 0.00 0.00 39.64 39.65 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2gqe s LYS 22 N -2.57 1.88 0.74 0.38 -2.85 -1.26 -0.92 119.74 115.14 2gqe s LYS 22 Ca -0.03 -1.81 -0.12 0.00 -1.00 0.00 0.00 55.97 53.00 2gqe s LYS 22 Cb 0.05 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 2gqe s LYS 22 CO 0.36 -0.76 1.10 0.00 0.10 0.00 0.00 175.35 176.15 2gqe n VAL 24 N -3.16 2.11 0.00 0.00 3.14 -1.26 -3.41 118.33 115.75 2gqe n VAL 24 Ca 0.10 -1.62 0.00 0.00 -2.96 0.00 0.00 64.34 59.86 2gqe n VAL 24 Cb 0.53 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 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 -0.05 2.12 0.20 1.55 0.00 -1.26 -4.88 120.51 118.19 2gqe n ALA 25 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.68 2gqe n ALA 25 Cb 0.86 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.28 -4.26 -3.33 0.00 -0.58 -1.22 -4.97 120.64 105.00 2gqe n GLU 27 Ca 0.01 0.53 -0.35 0.00 -0.42 0.00 0.00 57.16 56.92 2gqe n GLU 27 Cb 0.11 -4.61 -0.06 0.00 -0.57 0.00 0.00 31.44 26.31 2gqe n GLU 27 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2gqe s THR 28 N -3.22 4.83 -0.27 2.62 2.01 -1.26 -4.65 115.64 115.70 2gqe s THR 28 Ca 0.05 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 2gqe s THR 28 Cb -0.02 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2gqe s THR 28 CO 0.46 0.25 1.64 -2.16 -0.69 0.00 0.00 174.62 174.12 2gqe s PRO 29 N -1.93 3.66 0.42 4.92 0.04 -1.26 -0.53 135.00 140.33 2gqe s PRO 29 Ca 0.38 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 2gqe s PRO 29 Cb -0.15 -4.07 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 2gqe s PRO 29 CO 0.19 -1.46 1.19 1.17 0.04 0.00 0.00 177.00 178.14 2gqe n LYS 30 N 7.89 1.74 0.00 4.56 4.81 -0.10 -4.97 118.16 132.09 2gqe n LYS 30 Ca 0.20 0.62 0.08 0.00 -0.87 0.00 0.00 58.31 58.33 2gqe n LYS 30 Cb 0.46 -2.28 0.46 0.00 0.02 0.00 0.00 35.03 33.69 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22