#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqe s HIS 1 N 0.00 0.48 0.31 1.61 -0.00 -1.26 -5.13 115.29 111.31 2gqe s HIS 1 Ca 0.00 -0.09 -0.28 0.00 -0.00 0.00 0.00 55.06 54.69 2gqe s HIS 1 Cb 0.00 -0.42 -0.13 0.00 -0.00 0.00 0.00 32.58 32.03 2gqe s HIS 1 CO 0.00 -0.09 1.12 0.00 -0.00 0.00 0.00 174.74 175.77 2gqe n MET 2 N 3.61 1.67 -3.96 -0.38 -0.00 -1.26 -4.97 117.12 111.83 2gqe n MET 2 Ca -0.21 0.59 -0.34 0.00 -0.00 0.00 0.00 57.70 57.73 2gqe n MET 2 Cb 0.54 -2.05 -0.14 0.00 -0.00 0.00 0.00 33.22 31.57 2gqe n MET 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2gqe s VAL 3 N -1.08 2.92 -0.18 3.17 1.01 -1.26 -4.95 120.40 120.03 2gqe s VAL 3 Ca 0.57 -0.87 0.20 0.00 0.00 0.00 0.00 61.98 61.87 2gqe s VAL 3 Cb -0.64 -2.41 -0.29 0.00 0.00 0.00 0.00 36.38 33.03 2gqe s VAL 3 CO 0.61 0.30 0.50 -0.38 0.00 0.00 0.00 175.10 176.12 2gqe n ILE 4 N 4.70 0.00 0.00 2.22 -0.00 -1.26 -5.10 119.36 119.92 2gqe n ILE 4 Ca -0.17 -0.38 0.00 0.00 -0.00 0.00 0.00 62.75 62.19 2gqe n ILE 4 Cb 0.48 0.21 0.00 0.00 -0.00 0.00 0.00 39.64 40.34 2gqe n ILE 4 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2gqe n GLY 5 N 1.39 2.52 3.54 7.39 0.00 -1.26 -5.00 105.19 113.78 2gqe n GLY 5 Ca -0.02 -1.89 -0.55 0.00 0.00 0.00 0.00 46.02 43.55 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 1.16 0.10 -3.50 2.61 -2.24 -1.26 -4.42 114.28 106.73 2gqe n THR 6 Ca 0.00 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 2gqe n THR 6 Cb 0.00 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.17 3.65 -0.12 4.78 1.48 0.12 -4.76 118.94 124.25 2gqe s TRP 7 Ca 0.87 0.90 -0.17 0.00 -1.06 0.00 0.00 56.10 56.63 2gqe s TRP 7 Cb -1.10 -2.32 -0.04 0.00 -1.16 0.00 0.00 33.47 28.85 2gqe s TRP 7 CO 0.52 0.52 0.43 -0.51 -4.06 0.00 0.00 176.95 173.85 2gqe s ASP 8 N -0.60 6.63 1.08 -2.66 1.11 -1.26 -0.73 116.67 120.24 2gqe s ASP 8 Ca 0.23 0.74 -0.12 0.00 0.18 0.00 0.00 52.55 53.58 2gqe s ASP 8 Cb -0.16 -2.26 0.23 0.00 1.07 0.00 0.00 42.92 41.81 2gqe s ASP 8 CO 0.11 0.04 1.07 0.00 1.18 0.00 0.00 175.17 177.57 2gqe n ASP 10 N -4.67 0.97 0.00 0.00 5.75 -1.26 -4.39 116.55 112.95 2gqe n ASP 10 Ca 0.06 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2gqe n ASP 10 Cb 0.53 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.38 0.00 0.48 2.12 -1.04 -1.26 -4.84 114.28 109.36 2gqe n THR 11 Ca 0.03 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.09 2gqe n THR 11 Cb 0.49 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.84 -7.35 -3.64 0.00 4.32 -1.26 -5.05 117.00 103.17 2gqe n LEU 13 Ca 0.03 0.56 -0.10 0.00 -0.02 0.00 0.00 56.01 56.48 2gqe n LEU 13 Cb 0.19 -3.15 -0.07 0.00 -1.62 0.00 0.00 43.42 38.76 2gqe n LEU 13 CO 0.18 -2.19 0.34 -0.69 -1.22 0.00 0.00 177.39 173.81 2gqe s VAL 14 N -2.35 -0.00 0.26 4.08 1.01 -1.26 -4.91 120.40 117.22 2gqe s VAL 14 Ca 0.20 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 2gqe s VAL 14 Cb -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 2gqe s VAL 14 CO 0.69 0.00 0.77 -1.10 0.00 0.00 0.00 175.10 175.47 2gqe s GLN 15 N 1.14 4.27 -0.00 2.72 -0.21 -1.26 -0.24 119.66 126.07 2gqe s GLN 15 Ca -0.06 0.93 -0.05 0.00 0.02 0.00 0.00 55.36 56.20 2gqe s GLN 15 Cb -0.05 -2.77 -0.00 0.00 1.00 0.00 0.00 33.01 31.18 2gqe s GLN 15 CO -0.12 0.32 0.09 -0.80 -2.12 0.00 0.00 175.29 172.67 2gqe s ASN 16 N -1.75 0.05 0.54 5.90 0.01 0.10 -4.84 114.94 114.94 2gqe s ASN 16 Ca 0.47 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 52.21 2gqe s ASN 16 Cb -0.16 0.19 -0.05 0.00 0.41 0.00 0.00 41.25 41.64 2gqe s ASN 16 CO 0.21 -0.28 1.33 -1.59 -1.51 0.00 0.00 177.10 175.25 2gqe s LYS 17 N -1.09 3.20 0.02 -0.60 -2.85 -1.26 0.10 119.74 117.25 2gqe s LYS 17 Ca -0.12 2.16 0.15 0.00 -1.00 0.00 0.00 55.97 57.16 2gqe s LYS 17 Cb -0.07 -2.26 0.63 0.00 -2.06 0.00 0.00 37.83 34.08 2gqe s LYS 17 CO 0.01 -1.12 1.47 -0.35 0.10 0.00 0.00 175.35 175.45 2gqe n PRO 18 N -1.00 0.01 0.00 1.78 -0.04 -1.26 -2.01 135.00 132.47 2gqe n PRO 18 Ca 0.10 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2gqe n PRO 18 Cb 0.46 -1.52 0.44 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.54 0.46 -2.21 0.54 4.07 -1.26 -4.89 120.64 115.80 2gqe n GLU 19 Ca 0.03 -0.22 -0.26 0.00 -0.06 0.00 0.00 57.16 56.65 2gqe n GLU 19 Cb 0.17 -1.50 0.09 0.00 -0.06 0.00 0.00 31.44 30.14 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gqe s ALA 20 N -2.69 3.10 -0.23 4.31 0.00 -0.85 -5.02 121.76 120.38 2gqe s ALA 20 Ca 0.21 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2gqe s ALA 20 Cb 0.19 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.69 2gqe s ALA 20 CO 0.56 -1.47 0.23 0.44 0.00 0.00 0.00 175.76 175.52 2gqe n ILE 21 N -3.02 0.00 -3.90 0.00 -5.35 -1.26 -4.96 119.36 100.87 2gqe n ILE 21 Ca 0.10 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.15 2gqe n ILE 21 Cb 0.60 0.87 0.01 0.00 -1.74 0.00 0.00 39.64 39.38 2gqe n ILE 21 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2gqe n LYS 22 N -1.26 0.97 -2.04 6.28 2.85 -1.26 -0.86 118.16 122.84 2gqe n LYS 22 Ca 0.01 -2.47 -0.32 0.00 -1.05 0.00 0.00 58.31 54.47 2gqe n LYS 22 Cb 0.11 2.76 0.01 0.00 -0.65 0.00 0.00 35.03 37.26 2gqe n LYS 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gqe n VAL 24 N -2.09 2.45 0.00 0.00 3.14 -1.26 -3.15 118.33 117.42 2gqe n VAL 24 Ca 0.08 -1.51 0.00 0.00 -2.96 0.00 0.00 64.34 59.96 2gqe n VAL 24 Cb 0.53 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 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 0.37 2.56 0.40 1.55 0.00 -1.26 -4.89 120.51 119.24 2gqe n ALA 25 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 2gqe n ALA 25 Cb 1.05 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.27 -2.74 -2.34 0.00 4.71 -1.19 -4.95 120.64 112.86 2gqe n GLU 27 Ca 0.01 0.49 -0.37 0.00 -0.01 0.00 0.00 57.16 57.28 2gqe n GLU 27 Cb 0.15 -4.47 -0.02 0.00 -1.01 0.00 0.00 31.44 26.09 2gqe n GLU 27 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2gqe s THR 28 N -2.89 3.28 -0.28 2.62 2.01 -1.26 -4.50 115.64 114.63 2gqe s THR 28 Ca 0.17 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.88 2gqe s THR 28 Cb -0.08 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2gqe s THR 28 CO 0.21 0.02 1.65 -2.16 -0.69 0.00 0.00 174.62 173.66 2gqe s PRO 29 N -2.54 3.62 0.39 4.92 0.04 -1.26 -0.43 135.00 139.75 2gqe s PRO 29 Ca 0.60 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 2gqe s PRO 29 Cb -0.27 -4.09 -0.12 0.00 0.04 0.00 0.00 34.50 30.06 2gqe s PRO 29 CO 0.34 -1.51 0.93 1.17 0.04 0.00 0.00 177.00 177.97 2gqe n LYS 30 N 7.96 1.21 0.00 4.56 4.81 -0.04 -4.95 118.16 131.70 2gqe n LYS 30 Ca 0.20 0.43 0.08 0.00 -0.87 0.00 0.00 58.31 58.15 2gqe n LYS 30 Cb 0.46 -1.91 0.46 0.00 0.02 0.00 0.00 35.03 34.07 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22