#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgm n ILE 2 N 0.00 0.00 -3.69 1.34 2.08 0.50 -4.67 119.36 114.92 1qgm n ILE 2 Ca 0.00 -0.11 -0.11 0.00 0.56 0.00 0.00 62.75 63.09 1qgm n ILE 2 Cb 0.00 -0.94 -0.12 0.00 -0.75 0.00 0.00 39.64 37.84 1qgm n ILE 2 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1qgm s HIS 3 N -2.56 -0.51 -0.10 1.39 3.76 -1.26 -2.24 115.29 113.77 1qgm s HIS 3 Ca 0.66 1.10 0.13 0.00 -0.15 0.00 0.00 55.06 56.80 1qgm s HIS 3 Cb -0.23 0.13 0.23 0.00 1.11 0.00 0.00 32.58 33.83 1qgm s HIS 3 CO 0.61 -0.34 1.12 0.00 -0.85 0.00 0.00 174.74 175.28 1qgm n ASP 5 N -0.92 0.00 -0.08 0.00 5.75 -1.26 -5.04 116.55 115.00 1qgm n ASP 5 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1qgm n ASP 5 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1qgm n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qgm n ALA 6 N -3.00 1.15 -1.00 2.12 0.00 -1.26 -5.02 120.51 113.51 1qgm n ALA 6 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1qgm n ALA 6 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1qgm n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qgm n ALA 7 N 0.00 1.49 -1.39 0.00 0.00 -1.26 -5.09 120.51 114.26 1qgm n ALA 7 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1qgm n ALA 7 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1qgm n ALA 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qgm n THR 8 N -0.49 1.71 -4.37 0.00 -1.04 -1.26 -4.97 114.28 103.86 1qgm n THR 8 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 1qgm n THR 8 Cb 0.00 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 68.30 1qgm n THR 8 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qgm s ILE 9 N -1.16 1.30 0.06 12.58 1.01 -1.26 -4.67 121.20 129.05 1qgm s ILE 9 Ca 0.63 -1.15 0.09 0.00 0.00 0.00 0.00 60.65 60.21 1qgm s ILE 9 Cb -0.84 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1qgm s ILE 9 CO 0.58 0.00 -0.24 0.00 0.00 0.00 0.00 174.94 175.28 1qgm n PRO 11 N 1.69 -1.33 -3.11 0.00 -0.04 -1.26 0.19 135.00 131.13 1qgm n PRO 11 Ca -0.17 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.30 1qgm n PRO 11 Cb 0.53 -0.56 -0.05 0.00 -0.04 0.00 0.00 33.50 33.38 1qgm n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qgm s ASP 12 N -2.63 6.69 0.00 3.54 1.11 -1.26 -3.69 116.67 120.43 1qgm s ASP 12 Ca 0.26 1.19 0.00 0.00 0.18 0.00 0.00 52.55 54.18 1qgm s ASP 12 Cb -0.02 -2.34 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1qgm s ASP 12 CO 0.19 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 176.92 1qgm n GLY 13 N -0.56 0.71 3.31 0.21 0.00 -1.26 -5.04 105.19 102.56 1qgm n GLY 13 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1qgm n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qgm s THR 14 N -2.20 0.71 0.00 2.61 -4.23 -1.25 -4.59 115.64 106.69 1qgm s THR 14 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1qgm s THR 14 Cb 0.00 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1qgm s THR 14 CO 0.00 -0.17 -0.15 0.28 -0.54 0.00 0.00 174.62 174.04 1qgm s THR 15 N -3.65 1.20 0.30 3.99 -1.32 -0.30 -4.90 115.64 110.98 1qgm s THR 15 Ca 0.33 -0.75 -0.29 0.00 -1.21 0.00 0.00 61.69 59.77 1qgm s THR 15 Cb 0.07 -1.02 -0.10 0.00 -1.51 0.00 0.00 72.50 69.94 1qgm s THR 15 CO 0.11 0.26 1.37 0.00 -2.21 0.00 0.00 174.62 174.15 1qgm s SER 17 N -0.14 -0.33 -0.15 0.00 0.15 0.01 -4.79 113.70 108.46 1qgm s SER 17 Ca 0.53 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.68 1qgm s SER 17 Cb -0.41 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 1qgm s SER 17 CO 0.50 -0.12 0.30 -0.22 1.20 0.00 0.00 173.24 174.91 1qgm s LEU 18 N 0.36 4.26 0.84 3.45 0.20 -1.26 -1.61 118.68 124.92 1qgm s LEU 18 Ca -0.02 0.55 -0.12 0.00 0.69 0.00 0.00 54.13 55.23 1qgm s LEU 18 Cb -0.03 -2.39 0.10 0.00 -0.43 0.00 0.00 46.19 43.43 1qgm s LEU 18 CO -0.01 0.12 1.16 -0.94 -0.29 0.00 0.00 176.35 176.39 1qgm s SER 19 N 0.33 4.22 0.20 3.68 1.04 -0.54 -4.91 113.70 117.73 1qgm s SER 19 Ca 0.17 0.85 0.21 0.00 0.48 0.00 0.00 55.95 57.67 1qgm s SER 19 Cb -0.13 -1.38 0.90 0.00 0.10 0.00 0.00 66.02 65.51 1qgm s SER 19 CO 0.05 -2.09 1.64 -0.81 0.98 0.00 0.00 173.24 173.01 1qgm n PRO 20 N -3.45 0.15 0.01 4.02 -0.04 -1.26 -1.45 135.00 132.98 1qgm n PRO 20 Ca 0.08 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1qgm n PRO 20 Cb 0.60 -1.80 0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1qgm n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qgm n TYR 21 N -2.08 0.11 -0.25 0.54 4.01 -1.26 -4.93 117.16 113.31 1qgm n TYR 21 Ca 0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1qgm n TYR 21 Cb 0.20 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1qgm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qgm n GLY 22 N 1.46 1.22 3.62 2.72 0.00 -0.53 -5.07 105.19 108.60 1qgm n GLY 22 Ca 0.04 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1qgm n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qgm s VAL 23 N -2.00 5.03 -0.25 1.61 1.01 -1.26 -4.84 120.40 119.69 1qgm s VAL 23 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1qgm s VAL 23 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1qgm s VAL 23 CO 0.00 0.37 1.00 0.26 0.00 0.00 0.00 175.10 176.74 1qgm s TRP 24 N 0.97 3.29 0.17 5.22 0.23 -1.26 -1.46 118.94 126.10 1qgm s TRP 24 Ca 0.06 1.33 -0.01 0.00 -2.03 0.00 0.00 56.10 55.45 1qgm s TRP 24 Cb -0.14 -3.32 -0.04 0.00 0.03 0.00 0.00 33.47 30.00 1qgm s TRP 24 CO 0.03 -0.53 0.10 1.52 0.96 0.00 0.00 176.95 179.03 1qgm s TYR 25 N 3.23 1.03 -0.41 -1.98 -0.85 -0.63 -4.99 117.35 112.75 1qgm s TYR 25 Ca 0.42 -1.31 -0.18 0.00 -0.52 0.00 0.00 57.07 55.48 1qgm s TYR 25 Cb -0.14 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.69 1qgm s TYR 25 CO 0.08 -0.59 0.50 0.00 -1.52 0.00 0.00 175.55 174.02 1qgm s SER 27 N 1.85 6.52 -0.08 0.00 0.15 0.37 -4.81 113.70 117.70 1qgm s SER 27 Ca 0.16 0.60 -0.30 0.00 0.70 0.00 0.00 55.95 57.12 1qgm s SER 27 Cb -0.16 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1qgm s SER 27 CO 0.15 0.14 1.12 -2.16 1.20 0.00 0.00 173.24 173.69 1qgm s PRO 28 N -2.24 4.38 0.15 5.44 0.04 -1.26 -1.15 135.00 140.36 1qgm s PRO 28 Ca 0.35 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.99 1qgm s PRO 28 Cb -0.13 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1qgm s PRO 28 CO 0.21 -0.39 0.15 -0.59 0.04 0.00 0.00 177.00 176.42 1qgm s PHE 29 N 2.14 3.20 0.00 0.56 -0.12 -1.26 -4.95 117.98 117.55 1qgm s PHE 29 Ca 0.53 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 1qgm s PHE 29 Cb -0.22 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.62 1qgm s PHE 29 CO 0.20 0.52 0.00 0.43 -0.05 0.00 0.00 175.22 176.32