#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgm s ILE 2 N 0.00 4.79 -0.06 1.34 -1.09 0.79 -4.81 121.20 122.16 1qgm s ILE 2 Ca 0.00 0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 58.97 1qgm s ILE 2 Cb 0.00 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1qgm s ILE 2 CO 0.00 -0.71 0.06 -1.00 -1.23 0.00 0.00 174.94 172.05 1qgm s HIS 3 N -2.61 0.15 -0.00 3.97 3.76 -1.26 -1.75 115.29 117.54 1qgm s HIS 3 Ca 0.51 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1qgm s HIS 3 Cb -0.10 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.05 1qgm s HIS 3 CO 0.38 -0.24 0.68 0.00 -0.85 0.00 0.00 174.74 174.71 1qgm n ASP 5 N -0.17 0.00 0.00 0.00 5.68 -1.26 -5.09 116.55 115.71 1qgm n ASP 5 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1qgm n ASP 5 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1qgm n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qgm n ALA 6 N -3.00 0.00 -0.04 2.12 0.00 -1.26 -5.01 120.51 113.32 1qgm n ALA 6 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qgm n ALA 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.70 2.33 -0.68 0.00 0.00 -1.26 -5.03 120.51 114.18 1qgm n ALA 7 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 1qgm n ALA 7 Cb 0.00 0.34 0.17 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 -3.51 0.00 -4.21 0.00 -1.04 -1.26 -5.04 114.28 99.22 1qgm n THR 8 Ca -0.18 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 61.57 1qgm n THR 8 Cb 0.57 -0.88 -0.09 0.00 -1.82 0.00 0.00 70.33 68.11 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 -2.52 0.00 -0.05 12.58 1.01 -1.26 -4.74 121.20 126.22 1qgm s ILE 9 Ca 0.64 -1.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.29 1qgm s ILE 9 Cb -0.22 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1qgm s ILE 9 CO 0.62 0.00 0.12 0.00 0.00 0.00 0.00 174.94 175.68 1qgm n PRO 11 N 3.27 0.17 -3.36 0.00 -0.04 -1.26 0.28 135.00 134.05 1qgm n PRO 11 Ca -0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1qgm n PRO 11 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.19 6.72 0.00 3.54 1.11 -1.26 -4.06 116.67 121.54 1qgm s ASP 12 Ca 0.00 1.02 0.00 0.00 0.18 0.00 0.00 52.55 53.75 1qgm s ASP 12 Cb 0.00 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.72 1qgm s ASP 12 CO 0.00 -0.01 0.00 0.61 1.18 0.00 0.00 175.17 176.95 1qgm n GLY 13 N 0.22 0.56 3.30 0.21 0.00 -1.26 -5.05 105.19 103.17 1qgm n GLY 13 Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 0.37 -0.00 2.61 -4.23 -1.26 -4.25 115.64 106.88 1qgm s THR 14 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1qgm s THR 14 Cb 0.00 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1qgm s THR 14 CO 0.00 0.00 -0.10 0.28 -0.54 0.00 0.00 174.62 174.26 1qgm s THR 15 N -3.80 0.78 0.19 3.99 -1.32 0.02 -4.91 115.64 110.58 1qgm s THR 15 Ca 0.38 -0.48 -0.31 0.00 -1.21 0.00 0.00 61.69 60.06 1qgm s THR 15 Cb 0.07 -0.66 -0.10 0.00 -1.51 0.00 0.00 72.50 70.30 1qgm s THR 15 CO 0.14 0.17 1.50 0.00 -2.21 0.00 0.00 174.62 174.23 1qgm s SER 17 N 0.87 -0.65 0.15 0.00 0.15 -0.07 -4.86 113.70 109.30 1qgm s SER 17 Ca 0.66 1.21 -0.17 0.00 0.70 0.00 0.00 55.95 58.35 1qgm s SER 17 Cb -0.42 1.20 -0.07 0.00 -1.71 0.00 0.00 66.02 65.02 1qgm s SER 17 CO 0.35 -0.21 0.60 -0.22 1.20 0.00 0.00 173.24 174.97 1qgm s LEU 18 N 0.54 4.39 0.76 3.45 0.20 -1.26 -1.41 118.68 125.35 1qgm s LEU 18 Ca -0.02 1.22 -0.10 0.00 0.69 0.00 0.00 54.13 55.93 1qgm s LEU 18 Cb -0.05 -3.26 0.07 0.00 -0.43 0.00 0.00 46.19 42.52 1qgm s LEU 18 CO -0.02 0.13 1.10 -0.94 -0.29 0.00 0.00 176.35 176.33 1qgm s SER 19 N -1.54 4.70 0.25 3.68 1.04 0.15 -4.87 113.70 117.12 1qgm s SER 19 Ca 0.37 0.67 0.23 0.00 0.48 0.00 0.00 55.95 57.70 1qgm s SER 19 Cb -0.17 -1.26 0.98 0.00 0.10 0.00 0.00 66.02 65.67 1qgm s SER 19 CO 0.20 -1.73 1.69 -0.81 0.98 0.00 0.00 173.24 173.56 1qgm n PRO 20 N -3.13 0.18 -0.06 4.02 -0.04 -1.26 -1.52 135.00 133.19 1qgm n PRO 20 Ca 0.08 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1qgm n PRO 20 Cb 0.60 -1.86 0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.20 0.16 -1.00 0.54 4.01 -1.26 -4.92 117.16 112.49 1qgm n TYR 21 Ca 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1qgm n TYR 21 Cb 0.21 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.39 1.14 3.55 2.72 0.00 -0.57 -5.06 105.19 108.35 1qgm n GLY 22 Ca 0.16 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 4.73 -0.22 1.61 1.01 -1.25 -4.80 120.40 119.47 1qgm s VAL 23 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1qgm s VAL 23 Cb 0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1qgm s VAL 23 CO 0.00 0.36 1.20 0.26 0.00 0.00 0.00 175.10 176.92 1qgm s TRP 24 N 1.21 2.95 0.20 5.22 0.23 -1.26 0.30 118.94 127.79 1qgm s TRP 24 Ca 0.05 1.10 -0.05 0.00 -2.03 0.00 0.00 56.10 55.17 1qgm s TRP 24 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 33.47 29.79 1qgm s TRP 24 CO 0.04 -1.35 0.23 1.52 0.96 0.00 0.00 176.95 178.36 1qgm s TYR 25 N 3.61 0.79 -0.27 -1.98 1.13 -0.50 -4.94 117.35 115.20 1qgm s TYR 25 Ca 0.52 -1.09 -0.08 0.00 -1.41 0.00 0.00 57.07 55.01 1qgm s TYR 25 Cb -0.18 -0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1qgm s TYR 25 CO 0.14 -0.73 0.09 0.00 -2.51 0.00 0.00 175.55 172.55 1qgm s SER 27 N 1.59 6.72 -0.04 0.00 0.01 0.04 -4.70 113.70 117.32 1qgm s SER 27 Ca 0.05 0.87 -0.30 0.00 1.31 0.00 0.00 55.95 57.88 1qgm s SER 27 Cb -0.16 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1qgm s SER 27 CO 0.04 0.25 1.18 -2.16 0.41 0.00 0.00 173.24 172.96 1qgm s PRO 28 N -1.51 4.38 -0.17 12.44 0.04 -1.26 -0.80 135.00 148.11 1qgm s PRO 28 Ca 0.28 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1qgm s PRO 28 Cb -0.15 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.90 1qgm s PRO 28 CO 0.16 -0.39 -0.14 -0.59 0.04 0.00 0.00 177.00 176.07 1qgm s PHE 29 N 1.97 2.35 0.00 0.56 -0.71 -1.26 -4.97 117.98 115.92 1qgm s PHE 29 Ca 0.56 -1.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.04 1qgm s PHE 29 Cb -0.25 -1.66 0.00 0.00 -1.21 0.00 0.00 43.02 39.90 1qgm s PHE 29 CO 0.23 -0.72 0.00 0.43 -1.34 0.00 0.00 175.22 173.83