#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyu n ARG -2 N 0.00 1.96 -1.10 -0.52 0.00 -1.26 -2.35 116.66 113.39 1pyu n ARG -2 Ca 0.00 0.69 -0.03 0.00 -0.00 0.00 0.00 57.85 58.50 1pyu n ARG -2 Cb 0.00 -2.25 -0.01 0.00 -0.00 0.00 0.00 32.46 30.20 1pyu n ARG -2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pyu n GLY -1 N 1.13 0.64 3.76 2.89 0.00 -1.26 -5.01 105.19 107.35 1pyu n GLY -1 Ca 0.07 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1pyu n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pyu s SER 0 N -2.60 5.39 0.09 1.61 0.01 -0.99 -4.96 113.70 112.25 1pyu s SER 0 Ca 0.00 2.35 -0.30 0.00 1.31 0.00 0.00 55.95 59.30 1pyu s SER 0 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1pyu s SER 0 CO 0.00 -1.45 1.04 0.00 0.41 0.00 0.00 173.24 173.24 1pyu s MET 1 N -3.26 4.60 -0.17 12.44 0.23 -1.26 -5.02 119.30 126.86 1pyu s MET 1 Ca 0.75 1.56 -0.04 0.00 -1.03 0.00 0.00 55.69 56.93 1pyu s MET 1 Cb -0.29 -3.37 -0.03 0.00 -1.53 0.00 0.00 34.83 29.61 1pyu s MET 1 CO 0.32 0.04 -0.03 0.42 -2.03 0.00 0.00 175.02 173.74 1pyu s ILE 2 N 0.37 3.89 0.18 3.16 -1.09 -1.26 -5.11 121.20 121.34 1pyu s ILE 2 Ca 0.51 -0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 1pyu s ILE 2 Cb -0.25 -2.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1pyu s ILE 2 CO 0.30 0.48 0.45 -0.13 -1.23 0.00 0.00 174.94 174.81 1pyu s ARG 3 N 0.55 3.71 -0.28 2.79 1.81 -1.26 -5.09 118.95 121.18 1pyu s ARG 3 Ca -0.02 0.09 -0.09 0.00 -1.72 0.00 0.00 55.73 53.98 1pyu s ARG 3 Cb -0.14 -2.77 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 1pyu s ARG 3 CO 0.02 0.41 0.14 0.99 -0.68 0.00 0.00 175.30 176.18 1pyu s THR 4 N -1.72 4.77 0.07 0.02 2.01 -1.26 -5.09 115.64 114.45 1pyu s THR 4 Ca 0.43 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1pyu s THR 4 Cb -0.12 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1pyu s THR 4 CO 0.23 0.24 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.15 1pyu s MET 5 N 1.67 1.19 -0.11 4.92 1.00 -1.26 -5.09 119.30 121.63 1pyu s MET 5 Ca 0.06 -1.04 -0.29 0.00 0.00 0.00 0.00 55.69 54.42 1pyu s MET 5 Cb -0.16 -1.37 -0.06 0.00 0.00 0.00 0.00 34.83 33.23 1pyu s MET 5 CO 0.07 0.33 2.03 -1.17 0.00 0.00 0.00 175.02 176.28 1pyu s LEU 6 N -1.58 3.93 -0.02 -0.03 2.96 -1.26 -4.88 118.68 117.80 1pyu s LEU 6 Ca 0.06 2.19 -0.21 0.00 -0.22 0.00 0.00 54.13 55.94 1pyu s LEU 6 Cb -0.09 -3.52 -0.25 0.00 0.50 0.00 0.00 46.19 42.82 1pyu s LEU 6 CO 0.03 -1.48 1.04 -0.61 -1.32 0.00 0.00 176.35 174.01 1pyu h GLN 7 N 12.55 0.32 -1.20 1.98 -0.00 -2.04 -3.49 115.11 123.24 1pyu h GLN 7 Ca -0.44 -0.38 0.32 0.00 -0.00 0.00 0.00 58.65 58.15 1pyu h GLN 7 Cb 1.23 0.12 -0.19 0.00 0.00 0.00 0.00 27.48 28.64 1pyu h GLN 7 CO 0.96 1.09 0.92 0.20 0.00 0.00 0.00 178.83 182.00 1pyu s GLY 8 N -4.11 -0.29 0.04 2.39 0.00 -1.26 -5.18 107.32 98.91 1pyu s GLY 8 Ca -0.14 1.59 -0.18 0.00 0.00 0.00 0.00 44.72 46.00 1pyu s GLY 8 CO 0.80 0.50 0.40 -1.59 0.00 0.00 0.00 173.10 173.21 1pyu s LYS 9 N -2.18 0.91 -0.36 2.90 -2.85 -1.26 -5.11 119.74 111.80 1pyu s LYS 9 Ca 0.12 -0.38 -0.15 0.00 -1.00 0.00 0.00 55.97 54.56 1pyu s LYS 9 Cb 0.01 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1pyu s LYS 9 CO -0.04 -0.31 0.34 -0.51 0.10 0.00 0.00 175.35 174.94 1pyu s LEU 10 N -2.01 4.56 -0.38 2.77 1.43 -1.26 -5.07 118.68 118.72 1pyu s LEU 10 Ca -0.05 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 1pyu s LEU 10 Cb -0.01 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1pyu s LEU 10 CO -0.02 -0.36 0.42 -2.28 0.23 0.00 0.00 176.35 174.34 1pyu s HIS 11 N 1.95 3.18 -0.87 0.29 2.46 -1.26 -4.48 115.29 116.57 1pyu s HIS 11 Ca 0.10 -0.18 -0.01 0.00 0.47 0.00 0.00 55.06 55.44 1pyu s HIS 11 Cb -0.17 -2.81 0.00 0.00 -0.13 0.00 0.00 32.58 29.47 1pyu s HIS 11 CO 0.12 -0.58 0.73 0.54 -2.47 0.00 0.00 174.74 173.07 1pyu n ARG 12 N 5.54 -4.83 -2.76 2.88 1.74 -1.26 -5.03 116.66 112.93 1pyu n ARG 12 Ca -0.08 0.60 -0.31 0.00 -0.77 0.00 0.00 57.85 57.30 1pyu n ARG 12 Cb 0.48 -4.89 -0.03 0.00 -1.02 0.00 0.00 32.46 27.00 1pyu n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pyu s VAL 13 N -3.25 4.74 -0.14 1.55 0.11 -1.26 -5.07 120.40 117.07 1pyu s VAL 13 Ca 0.06 0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 59.77 1pyu s VAL 13 Cb -0.02 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1pyu s VAL 13 CO 0.52 -0.56 0.06 -0.75 -3.33 0.00 0.00 175.10 171.03 1pyu s LYS 14 N -3.91 3.61 0.00 1.54 2.20 -1.26 -5.07 119.74 116.86 1pyu s LYS 14 Ca 0.53 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 1pyu s LYS 14 Cb -0.10 -3.09 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 1pyu s LYS 14 CO 0.32 0.48 1.49 0.08 -0.36 0.00 0.00 175.35 177.36 1pyu s VAL 15 N -0.22 3.54 -0.26 4.02 1.01 -1.26 -4.92 120.40 122.31 1pyu s VAL 15 Ca 0.08 0.90 0.21 0.00 0.00 0.00 0.00 61.98 63.17 1pyu s VAL 15 Cb -0.12 -3.58 -0.31 0.00 0.00 0.00 0.00 36.38 32.37 1pyu s VAL 15 CO 0.01 -0.02 0.57 0.35 0.00 0.00 0.00 175.10 176.02 1pyu n THR 16 N 4.81 0.00 -3.66 3.92 -2.24 -1.26 -5.00 114.28 110.85 1pyu n THR 16 Ca 0.14 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1pyu n THR 16 Cb 0.43 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 1pyu n THR 16 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pyu s HIS 17 N -3.36 -0.56 -0.24 4.78 2.46 -1.26 -5.14 115.29 111.98 1pyu s HIS 17 Ca -0.04 1.23 -0.03 0.00 0.47 0.00 0.00 55.06 56.69 1pyu s HIS 17 Cb 0.14 0.24 0.11 0.00 -0.13 0.00 0.00 32.58 32.93 1pyu s HIS 17 CO 0.88 -0.38 0.23 0.00 -2.47 0.00 0.00 174.74 173.00 1pyu s ALA 18 N -0.28 -0.21 -0.23 1.58 0.00 -1.26 -5.12 121.76 116.24 1pyu s ALA 18 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1pyu s ALA 18 Cb -0.03 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.68 1pyu s ALA 18 CO 0.03 -1.41 -0.09 0.16 0.00 0.00 0.00 175.76 174.46 1pyu s ASP 19 N 2.31 3.88 0.24 0.00 -4.77 -1.26 -5.01 116.67 112.06 1pyu s ASP 19 Ca 0.08 -1.15 -0.07 0.00 -3.30 0.00 0.00 52.55 48.11 1pyu s ASP 19 Cb -0.15 -1.31 0.23 0.00 -1.09 0.00 0.00 42.92 40.60 1pyu s ASP 19 CO -0.21 -0.19 1.89 0.25 0.70 0.00 0.00 175.17 177.61 1pyu h LEU 20 N 7.91 1.13 -7.66 2.11 5.85 -2.09 -3.31 115.31 119.24 1pyu h LEU 20 Ca -0.22 -0.06 -0.76 0.00 0.84 0.00 0.00 57.88 57.68 1pyu h LEU 20 Cb 1.07 -0.28 -0.22 0.00 0.37 0.00 0.00 40.66 41.60 1pyu h LEU 20 CO 0.45 0.86 0.96 -1.00 -0.34 0.00 0.00 178.44 179.37 1pyu s HIS 21 N -6.00 3.83 -0.20 1.25 3.76 -1.26 -4.96 115.29 111.71 1pyu s HIS 21 Ca -0.13 -2.37 -0.05 0.00 -0.15 0.00 0.00 55.06 52.36 1pyu s HIS 21 Cb 0.17 -4.11 -0.03 0.00 1.11 0.00 0.00 32.58 29.73 1pyu s HIS 21 CO 0.82 -1.21 0.01 -0.47 -0.85 0.00 0.00 174.74 173.04 1pyu s TYR 22 N 0.36 3.05 -0.36 1.40 5.04 -1.25 -5.03 117.35 120.56 1pyu s TYR 22 Ca 0.37 -0.43 0.06 0.00 -2.44 0.00 0.00 57.07 54.64 1pyu s TYR 22 Cb -0.06 -2.09 0.56 0.00 0.35 0.00 0.00 41.96 40.71 1pyu s TYR 22 CO -0.03 -0.23 1.63 0.39 -1.34 0.00 0.00 175.55 175.97 1pyu n GLU 23 N 4.26 2.07 0.00 4.97 1.02 -1.26 -5.21 120.64 126.49 1pyu n GLU 23 Ca -0.17 -3.18 0.08 0.00 -0.02 0.00 0.00 57.16 53.87 1pyu n GLU 23 Cb 0.52 -1.98 0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1pyu n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72