#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 -0.26 -0.42 1.61 8.25 -1.26 -4.45 115.22 118.69 2gqe n HIS 1 Ca 0.00 0.72 -0.28 0.00 -0.26 0.00 0.00 57.72 57.90 2gqe n HIS 1 Cb 0.00 -0.52 0.27 0.00 1.12 0.00 0.00 29.99 30.86 2gqe n HIS 1 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gqe n MET 2 N -4.39 -3.01 -3.71 -0.41 -0.00 -1.26 -4.98 117.12 99.36 2gqe n MET 2 Ca 0.01 -0.86 -0.38 0.00 -0.00 0.00 0.00 57.70 56.48 2gqe n MET 2 Cb 0.15 -2.10 -0.11 0.00 -0.00 0.00 0.00 33.22 31.16 2gqe n MET 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2gqe s VAL 3 N -2.34 3.58 -0.84 3.17 -7.23 -1.26 -4.98 120.40 110.50 2gqe s VAL 3 Ca 0.68 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2gqe s VAL 3 Cb -0.24 -3.41 0.19 0.00 0.56 0.00 0.00 36.38 33.48 2gqe s VAL 3 CO 0.65 -0.70 2.35 2.30 -0.31 0.00 0.00 175.10 179.38 2gqe n ILE 4 N 4.70 4.29 0.85 -0.62 -5.35 -1.26 -4.43 119.36 117.54 2gqe n ILE 4 Ca -0.04 -4.11 0.10 0.00 -0.27 0.00 0.00 62.75 58.42 2gqe n ILE 4 Cb 0.41 -1.61 -0.13 0.00 -1.74 0.00 0.00 39.64 36.58 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 0.56 -1.00 2.87 3.28 0.00 -1.26 -5.00 105.19 104.64 2gqe n GLY 5 Ca 0.53 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.61 0.66 -4.15 2.61 -2.24 -1.26 -4.52 114.28 103.78 2gqe n THR 6 Ca 0.03 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 2gqe n THR 6 Cb 0.36 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.33 3.35 -0.14 4.78 1.48 0.10 -4.84 118.94 123.35 2gqe s TRP 7 Ca 0.67 0.34 -0.10 0.00 -1.06 0.00 0.00 56.10 55.94 2gqe s TRP 7 Cb -0.94 -1.86 -0.05 0.00 -1.16 0.00 0.00 33.47 29.46 2gqe s TRP 7 CO 0.47 0.58 0.20 -0.51 -4.06 0.00 0.00 176.95 173.63 2gqe s ASP 8 N -0.93 6.39 1.20 -2.66 1.01 -1.26 -0.65 116.67 119.77 2gqe s ASP 8 Ca 0.14 0.46 -0.14 0.00 0.71 0.00 0.00 52.55 53.72 2gqe s ASP 8 Cb -0.12 -2.12 0.30 0.00 1.01 0.00 0.00 42.92 41.99 2gqe s ASP 8 CO 0.03 0.27 1.02 0.00 0.21 0.00 0.00 175.17 176.69 2gqe n ASP 10 N -5.00 0.76 0.07 0.00 2.03 -1.26 -4.54 116.55 108.61 2gqe n ASP 10 Ca 0.04 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 54.06 2gqe n ASP 10 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2gqe n THR 11 N -0.14 0.92 0.14 5.18 -1.04 -1.26 -4.84 114.28 113.25 2gqe n THR 11 Ca 0.00 0.31 0.12 0.00 -2.04 0.00 0.00 64.05 62.43 2gqe n THR 11 Cb 0.28 -1.34 0.05 0.00 -1.82 0.00 0.00 70.33 67.51 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 -2.79 -4.26 -3.71 0.00 4.77 -1.26 -5.07 117.00 104.68 2gqe n LEU 13 Ca 0.01 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2gqe n LEU 13 Cb 0.54 -1.99 -0.11 0.00 -2.33 0.00 0.00 43.42 39.53 2gqe n LEU 13 CO 0.38 -0.73 0.05 -0.69 -1.33 0.00 0.00 177.39 175.07 2gqe s VAL 14 N -2.34 -0.02 0.36 4.08 1.01 -1.26 -4.91 120.40 117.32 2gqe s VAL 14 Ca 0.05 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 2gqe s VAL 14 Cb -0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.69 2gqe s VAL 14 CO 0.32 0.03 0.83 -1.10 0.00 0.00 0.00 175.10 175.18 2gqe s GLN 15 N 1.09 4.14 0.09 2.72 1.11 -1.26 -0.90 119.66 126.64 2gqe s GLN 15 Ca -0.07 0.90 -0.09 0.00 0.01 0.00 0.00 55.36 56.10 2gqe s GLN 15 Cb -0.07 -2.37 0.00 0.00 -1.01 0.00 0.00 33.01 29.56 2gqe s GLN 15 CO -0.09 0.10 0.20 -0.80 0.01 0.00 0.00 175.29 174.71 2gqe s ASN 16 N -2.17 0.09 0.45 5.90 0.01 0.17 -4.78 114.94 114.62 2gqe s ASN 16 Ca 0.57 -0.62 -0.21 0.00 -0.71 0.00 0.00 52.86 51.89 2gqe s ASN 16 Cb -0.10 0.35 -0.10 0.00 0.41 0.00 0.00 41.25 41.80 2gqe s ASN 16 CO 0.16 -0.73 0.99 -1.59 -1.51 0.00 0.00 177.10 174.42 2gqe s LYS 17 N -3.81 4.06 0.00 -0.60 -2.85 -1.26 0.01 119.74 115.29 2gqe s LYS 17 Ca 0.04 1.24 0.14 0.00 -1.00 0.00 0.00 55.97 56.39 2gqe s LYS 17 Cb 0.04 -2.17 0.62 0.00 -2.06 0.00 0.00 37.83 34.27 2gqe s LYS 17 CO -0.11 -0.19 1.45 -0.35 0.10 0.00 0.00 175.35 176.24 2gqe n PRO 18 N -0.74 0.03 0.00 1.78 -0.04 -1.26 -2.01 135.00 132.76 2gqe n PRO 18 Ca 0.08 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2gqe n PRO 18 Cb 0.53 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.47 0.44 -2.24 0.54 -0.58 -1.26 -4.90 120.64 111.17 2gqe n GLU 19 Ca 0.04 -0.22 -0.25 0.00 -0.42 0.00 0.00 57.16 56.31 2gqe n GLU 19 Cb 0.16 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.60 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gqe s ALA 20 N -2.71 3.21 -0.19 0.62 0.00 -0.85 -5.02 121.76 116.83 2gqe s ALA 20 Ca 0.20 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.28 2gqe s ALA 20 Cb 0.19 -2.54 -0.16 0.00 0.00 0.00 0.00 23.12 20.61 2gqe s ALA 20 CO 0.57 -1.29 0.33 1.51 0.00 0.00 0.00 175.76 176.87 2gqe n ILE 21 N -2.89 0.00 -3.82 0.00 0.13 -1.26 -4.96 119.36 106.55 2gqe n ILE 21 Ca 0.08 -0.25 -0.08 0.00 -1.10 0.00 0.00 62.75 61.40 2gqe n ILE 21 Cb 0.60 0.49 -0.02 0.00 -0.84 0.00 0.00 39.64 39.87 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 2gqe s LYS 22 N -2.55 1.69 0.96 9.51 0.00 -1.26 -0.82 119.74 127.27 2gqe s LYS 22 Ca -0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 55.97 54.87 2gqe s LYS 22 Cb 0.08 0.59 0.08 0.00 0.00 0.00 0.00 37.83 38.57 2gqe s LYS 22 CO 0.47 -0.76 0.62 0.00 0.00 0.00 0.00 175.35 175.68 2gqe n VAL 24 N -3.87 2.39 0.00 0.00 3.14 -1.26 -3.68 118.33 115.04 2gqe n VAL 24 Ca 0.08 -2.03 0.00 0.00 -2.96 0.00 0.00 64.34 59.43 2gqe n VAL 24 Cb 0.54 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 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 -0.61 2.45 0.33 1.55 0.00 -1.26 -4.90 120.51 118.07 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 -1.52 -3.16 -2.80 0.00 1.02 -1.24 -4.98 120.64 107.96 2gqe n GLU 27 Ca 0.00 0.37 -0.36 0.00 -0.02 0.00 0.00 57.16 57.16 2gqe n GLU 27 Cb 0.23 -3.99 -0.07 0.00 -0.02 0.00 0.00 31.44 27.60 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 -3.15 4.27 -0.24 2.62 2.01 -1.26 -4.64 115.64 115.25 2gqe s THR 28 Ca 0.10 1.72 -0.29 0.00 0.31 0.00 0.00 61.69 63.54 2gqe s THR 28 Cb -0.05 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2gqe s THR 28 CO 0.32 0.01 1.63 -2.16 -0.69 0.00 0.00 174.62 173.72 2gqe s PRO 29 N -2.39 3.74 0.41 4.92 0.04 -1.26 -0.76 135.00 139.70 2gqe s PRO 29 Ca 0.54 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 2gqe s PRO 29 Cb -0.16 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.23 2gqe s PRO 29 CO 0.21 -1.36 1.07 1.17 0.04 0.00 0.00 177.00 178.12 2gqe n LYS 30 N 7.76 1.48 0.00 4.56 4.81 -0.00 -4.95 118.16 131.82 2gqe n LYS 30 Ca 0.19 0.53 0.08 0.00 -0.87 0.00 0.00 58.31 58.24 2gqe n LYS 30 Cb 0.45 -2.10 0.46 0.00 0.02 0.00 0.00 35.03 33.86 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22