#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lup n GLN 3 N 0.67 0.30 -3.03 0.00 0.00 -1.25 -4.74 117.38 109.32 1lup n GLN 3 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.64 1lup n GLN 3 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.25 1lup n GLN 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1lup n LYS 4 N -0.52 3.83 -1.28 3.69 4.01 -1.26 -4.68 118.16 121.95 1lup n LYS 4 Ca 0.00 -4.69 0.15 0.00 -0.51 0.00 0.00 58.31 53.26 1lup n LYS 4 Cb 0.00 -2.37 -0.07 0.00 -0.51 0.00 0.00 35.03 32.08 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1lup n TRP 5 N 0.52 -3.14 -3.84 2.13 -0.00 -1.26 -4.75 117.44 107.10 1lup n TRP 5 Ca 0.33 1.71 -0.30 0.00 -0.00 0.00 0.00 57.50 59.23 1lup n TRP 5 Cb 0.35 -2.86 -0.02 0.00 -0.00 0.00 0.00 31.31 28.79 1lup n TRP 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1lup n MET 6 N -4.03 -3.32 -3.68 5.87 0.00 0.29 -4.78 117.12 107.47 1lup n MET 6 Ca -0.06 0.40 -0.30 0.00 0.00 0.00 0.00 57.70 57.75 1lup n MET 6 Cb 0.60 -5.13 -0.04 0.00 0.00 0.00 0.00 33.22 28.65 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1lup s TRP 7 N -3.10 3.48 -0.01 3.17 -0.11 -1.26 -4.40 118.94 116.71 1lup s TRP 7 Ca 0.60 0.45 -0.35 0.00 1.22 0.00 0.00 56.10 58.01 1lup s TRP 7 Cb -0.32 -1.93 -0.14 0.00 -1.50 0.00 0.00 33.47 29.58 1lup s TRP 7 CO 0.73 0.41 1.68 2.41 -4.62 0.00 0.00 176.95 177.56 1lup n THR 8 N -0.25 0.27 -3.66 5.86 -1.04 -1.26 -1.25 114.28 112.94 1lup n THR 8 Ca -0.03 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 1lup n THR 8 Cb 0.53 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 67.46 1lup n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lup n ASP 10 N 2.22 0.00 -0.33 0.00 5.75 -1.26 -4.82 116.55 118.11 1lup n ASP 10 Ca -0.16 -0.63 0.19 0.00 -0.01 0.00 0.00 54.79 54.17 1lup n ASP 10 Cb 0.53 0.00 0.43 0.00 -1.03 0.00 0.00 41.12 41.05 1lup n ASP 10 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1lup h GLU 11 N 0.00 0.52 -3.72 0.11 4.11 -2.07 -3.27 114.58 110.26 1lup h GLU 11 Ca 0.00 -0.03 -0.60 0.00 0.07 0.00 0.00 59.36 58.79 1lup h GLU 11 Cb 0.00 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 28.73 1lup h GLU 11 CO 0.00 0.34 -0.74 -1.83 0.07 0.00 0.00 179.01 176.85 1lup s GLU 12 N -5.65 0.97 0.72 1.06 -1.05 -1.26 -5.12 118.70 108.37 1lup s GLU 12 Ca -0.10 -1.40 -0.09 0.00 -0.15 0.00 0.00 54.97 53.24 1lup s GLU 12 Cb 0.26 -2.32 0.06 0.00 -0.44 0.00 0.00 34.13 31.68 1lup s GLU 12 CO 0.80 -1.00 1.06 1.03 0.95 0.00 0.00 175.26 178.10 1lup s ARG 13 N 1.26 2.26 0.01 -4.83 1.81 -1.24 -5.03 118.95 113.20 1lup s ARG 13 Ca 0.11 -0.05 -0.02 0.00 -1.72 0.00 0.00 55.73 54.05 1lup s ARG 13 Cb -0.19 -2.10 -0.01 0.00 -0.45 0.00 0.00 34.95 32.20 1lup s ARG 13 CO -0.18 -1.27 -0.04 1.63 -0.68 0.00 0.00 175.30 174.76 1lup n LYS 14 N -3.01 0.06 -0.89 3.54 4.01 -1.26 -4.98 118.16 115.63 1lup n LYS 14 Ca 0.08 0.03 -0.36 0.00 -0.51 0.00 0.00 58.31 57.54 1lup n LYS 14 Cb 0.60 -0.61 0.08 0.00 -0.51 0.00 0.00 35.03 34.60 1lup n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lup h GLU 17 N 3.18 0.00 0.00 0.00 4.11 -2.01 0.39 114.58 120.25 1lup h GLU 17 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1lup h GLU 17 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1lup h GLU 17 CO 0.65 0.00 0.16 0.78 0.07 0.00 0.00 179.01 180.67 1lup h GLY 18 N 0.00 0.00 -6.76 1.06 0.00 -1.96 -3.40 103.07 92.02 1lup h GLY 18 Ca 0.24 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.95 1lup h GLY 18 CO -0.00 0.00 -0.43 1.08 0.00 0.00 0.00 176.54 177.19 1lup s LEU 19 N -5.62 4.14 0.92 3.11 1.43 0.12 -4.80 118.68 117.99 1lup s LEU 19 Ca -0.04 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1lup s LEU 19 Cb 0.10 -2.20 0.12 0.00 0.03 0.00 0.00 46.19 44.23 1lup s LEU 19 CO 0.30 0.05 0.97 0.55 0.23 0.00 0.00 176.35 178.46 1lup n VAL 20 N 4.15 0.12 -3.64 -1.59 3.14 -0.69 -4.66 118.33 115.16 1lup n VAL 20 Ca -0.14 -0.06 -0.40 0.00 -2.96 0.00 0.00 64.34 60.79 1lup n VAL 20 Cb 0.52 -0.92 -0.11 0.00 -1.06 0.00 0.00 33.84 32.27 1lup n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1lup s ARG 22 N 1.45 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 114.96 1lup s ARG 22 Ca 0.01 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1lup s ARG 22 Cb -0.21 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.38 1lup s ARG 22 CO 0.03 -0.53 0.00 1.28 0.02 0.00 0.00 175.30 176.10 1lup n LEU 23 N 5.08 0.00 -3.87 2.53 4.77 -1.26 -4.64 117.00 119.61 1lup n LEU 23 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1lup n LEU 23 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1lup n LEU 23 CO -0.12 0.00 -0.19 -1.66 -1.33 0.00 0.00 177.39 174.09 1lup s TRP 24 N 0.00 0.02 -0.05 -1.77 -2.14 -1.26 -3.20 118.94 110.55 1lup s TRP 24 Ca 0.00 -0.06 -0.34 0.00 2.66 0.00 0.00 56.10 58.36 1lup s TRP 24 Cb 0.00 -0.04 -0.12 0.00 -3.10 0.00 0.00 33.47 30.21 1lup s TRP 24 CO 0.00 -0.24 1.85 0.00 -2.66 0.00 0.00 176.95 175.90 1lup s LYS 26 N 3.65 2.09 0.46 0.00 2.20 -1.20 0.10 119.74 127.05 1lup s LYS 26 Ca 0.91 -0.98 0.06 0.00 -0.36 0.00 0.00 55.97 55.60 1lup s LYS 26 Cb -0.67 -2.21 0.06 0.00 -1.51 0.00 0.00 37.83 33.49 1lup s LYS 26 CO 0.49 0.54 0.51 2.89 -0.36 0.00 0.00 175.35 179.41 1lup n ARG 27 N 1.44 0.75 -4.38 4.03 -4.01 -1.26 -1.70 116.66 111.52 1lup n ARG 27 Ca -0.16 -2.69 -0.28 0.00 -1.04 0.00 0.00 57.85 53.69 1lup n ARG 27 Cb 0.52 0.04 -0.12 0.00 -3.04 0.00 0.00 32.46 29.86 1lup n ARG 27 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 1lup s ILE 28 N -2.09 2.51 0.28 8.89 -5.25 -1.26 -4.96 121.20 119.32 1lup s ILE 28 Ca 0.38 -1.85 -0.29 0.00 -0.99 0.00 0.00 60.65 57.90 1lup s ILE 28 Cb -0.03 -2.18 -0.10 0.00 2.95 0.00 0.00 42.46 43.10 1lup s ILE 28 CO 0.24 -0.04 1.23 -0.63 -1.79 0.00 0.00 174.94 173.96 1lup s ILE 29 N -1.46 3.11 -0.43 8.37 1.09 -1.26 -4.94 121.20 125.69 1lup s ILE 29 Ca 0.19 1.06 0.05 0.00 -1.10 0.00 0.00 60.65 60.85 1lup s ILE 29 Cb -0.09 -3.68 0.58 0.00 -1.06 0.00 0.00 42.46 38.22 1lup s ILE 29 CO 0.10 0.23 1.77 -3.20 -0.10 0.00 0.00 174.94 173.74 1lup n ASN 30 N 1.35 3.95 0.00 3.58 5.15 -1.26 -5.35 115.26 122.68 1lup n ASN 30 Ca 0.01 -3.70 0.09 0.00 -0.60 0.00 0.00 54.58 50.38 1lup n ASN 30 Cb 0.43 -0.78 0.54 0.00 -0.53 0.00 0.00 39.78 39.44 1lup n ASN 30 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46