#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lup s GLN 3 N -0.05 4.03 0.04 0.00 -1.52 -1.24 -4.63 119.66 116.29 1lup s GLN 3 Ca 0.00 0.72 -0.36 0.00 -1.95 0.00 0.00 55.36 53.76 1lup s GLN 3 Cb 0.00 -2.41 -0.15 0.00 -0.22 0.00 0.00 33.01 30.23 1lup s GLN 3 CO 0.00 0.14 1.50 1.63 -0.25 0.00 0.00 175.29 178.31 1lup n LYS 4 N -0.39 1.49 -0.85 2.91 4.76 -1.26 -4.01 118.16 120.81 1lup n LYS 4 Ca 0.04 0.54 -0.36 0.00 -2.87 0.00 0.00 58.31 55.66 1lup n LYS 4 Cb 0.53 -2.24 0.10 0.00 -1.84 0.00 0.00 35.03 31.58 1lup n LYS 4 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 1lup n TRP 5 N 3.46 -1.72 0.00 2.13 -0.00 -1.26 -3.14 117.44 116.92 1lup n TRP 5 Ca 0.19 0.36 0.00 0.00 -0.00 0.00 0.00 57.50 58.05 1lup n TRP 5 Cb 0.22 -1.49 0.00 0.00 -0.00 0.00 0.00 31.31 30.04 1lup n TRP 5 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1lup n MET 6 N 0.32 0.00 -0.92 -2.67 1.56 0.18 -4.92 117.12 110.67 1lup n MET 6 Ca -0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.07 1lup n MET 6 Cb 0.67 0.00 0.07 0.00 2.15 0.00 0.00 33.22 36.11 1lup n MET 6 CO 0.00 0.00 0.00 1.87 -0.73 0.00 0.00 175.97 177.11 1lup n TRP 7 N 0.00 -2.71 -1.45 1.12 -0.00 -1.19 -3.87 117.44 109.34 1lup n TRP 7 Ca 0.00 0.29 -0.44 0.00 -0.00 0.00 0.00 57.50 57.35 1lup n TRP 7 Cb 0.00 -1.48 -0.01 0.00 -0.00 0.00 0.00 31.31 29.82 1lup n TRP 7 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1lup n THR 8 N -3.30 1.75 -4.80 5.87 -1.04 -1.26 -2.59 114.28 108.90 1lup n THR 8 Ca -0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.25 1lup n THR 8 Cb 0.64 -0.44 -0.16 0.00 -1.82 0.00 0.00 70.33 68.55 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 2.96 0.00 -0.21 0.00 8.00 -1.26 -4.44 116.55 121.60 1lup n ASP 10 Ca -0.17 -0.58 0.28 0.00 0.71 0.00 0.00 54.79 55.04 1lup n ASP 10 Cb 0.53 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.33 1lup n ASP 10 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1lup h GLU 11 N 0.00 0.06 -2.23 -1.24 4.11 -2.00 -3.33 114.58 109.95 1lup h GLU 11 Ca 0.00 -0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 1lup h GLU 11 Cb 0.00 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 28.90 1lup h GLU 11 CO 0.00 0.04 -0.66 -1.83 0.07 0.00 0.00 179.01 176.63 1lup s GLU 12 N -5.04 0.32 0.60 1.06 4.04 -1.26 -5.15 118.70 113.27 1lup s GLU 12 Ca -0.05 -0.22 -0.04 0.00 0.04 0.00 0.00 54.97 54.70 1lup s GLU 12 Cb 0.22 -0.72 0.03 0.00 0.02 0.00 0.00 34.13 33.68 1lup s GLU 12 CO 0.78 -1.03 0.88 0.50 -1.84 0.00 0.00 175.26 174.55 1lup s ARG 13 N 2.30 2.61 -0.15 -4.83 3.00 -1.25 -5.03 118.95 115.59 1lup s ARG 13 Ca 0.10 -0.32 -0.05 0.00 -1.00 0.00 0.00 55.73 54.46 1lup s ARG 13 Cb -0.14 -2.32 -0.24 0.00 0.00 0.00 0.00 34.95 32.25 1lup s ARG 13 CO -0.33 -0.83 0.24 1.63 0.00 0.00 0.00 175.30 176.01 1lup n LYS 14 N -2.58 0.74 -1.48 5.12 4.01 -1.26 -4.95 118.16 117.75 1lup n LYS 14 Ca 0.06 0.24 -0.55 0.00 -0.51 0.00 0.00 58.31 57.55 1lup n LYS 14 Cb 0.59 -1.67 -0.06 0.00 -0.51 0.00 0.00 35.03 33.38 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 -0.59 0.00 -0.23 0.00 4.11 -1.98 -2.11 114.58 113.78 1lup h GLU 17 Ca -0.44 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.05 1lup h GLU 17 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1lup h GLU 17 CO 0.38 0.00 0.40 0.78 0.07 0.00 0.00 179.01 180.64 1lup h GLY 18 N 0.00 0.00 -5.53 1.06 0.00 -1.99 -3.38 103.07 93.23 1lup h GLY 18 Ca 0.01 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1lup h GLY 18 CO -0.00 0.00 -0.85 1.08 0.00 0.00 0.00 176.54 176.77 1lup s LEU 19 N -6.71 2.22 0.00 3.11 1.02 -0.79 -4.05 118.68 113.47 1lup s LEU 19 Ca -0.04 -0.53 -0.16 0.00 0.02 0.00 0.00 54.13 53.41 1lup s LEU 19 Cb 0.12 -1.46 0.26 0.00 0.02 0.00 0.00 46.19 45.13 1lup s LEU 19 CO 0.43 0.13 0.58 1.33 0.02 0.00 0.00 176.35 178.84 1lup n VAL 20 N 3.72 0.00 -3.66 -1.59 0.24 -0.63 -4.78 118.33 111.64 1lup n VAL 20 Ca -0.19 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 1lup n VAL 20 Cb 0.52 -0.66 -0.17 0.00 -1.47 0.00 0.00 33.84 32.06 1lup n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lup s ARG 22 N 2.20 0.32 0.00 0.00 3.00 -1.26 -4.97 118.95 118.24 1lup s ARG 22 Ca 0.04 0.28 0.00 0.00 0.00 0.00 0.00 55.73 56.05 1lup s ARG 22 Cb -0.12 0.13 0.00 0.00 0.00 0.00 0.00 34.95 34.96 1lup s ARG 22 CO -0.04 -0.59 0.00 -0.11 0.00 0.00 0.00 175.30 174.56 1lup n LEU 23 N 5.15 0.00 -3.67 2.53 -0.00 -1.26 -4.59 117.00 115.17 1lup n LEU 23 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.93 1lup n LEU 23 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.84 1lup n LEU 23 CO -0.12 0.00 -0.20 -1.66 -0.00 0.00 0.00 177.39 175.41 1lup s TRP 24 N 0.00 -0.27 -0.95 1.96 -2.14 -1.26 -2.00 118.94 114.28 1lup s TRP 24 Ca 0.00 0.74 -0.30 0.00 2.66 0.00 0.00 56.10 59.20 1lup s TRP 24 Cb 0.00 -0.18 -0.21 0.00 -3.10 0.00 0.00 33.47 29.98 1lup s TRP 24 CO 0.00 -0.30 2.66 0.00 -2.66 0.00 0.00 176.95 176.65 1lup s LYS 26 N 8.89 4.28 0.44 0.00 1.02 -1.19 0.49 119.74 133.66 1lup s LYS 26 Ca 1.32 0.77 -0.21 0.00 0.02 0.00 0.00 55.97 57.87 1lup s LYS 26 Cb -1.15 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 32.78 1lup s LYS 26 CO 0.47 0.52 0.98 -0.98 -0.92 0.00 0.00 175.35 175.41 1lup s ARG 27 N -0.71 4.13 0.21 1.68 3.03 -1.26 -1.60 118.95 124.43 1lup s ARG 27 Ca 0.30 1.21 -0.31 0.00 2.03 0.00 0.00 55.73 58.96 1lup s ARG 27 Cb -0.19 -2.21 -0.15 0.00 -1.03 0.00 0.00 34.95 31.37 1lup s ARG 27 CO 0.19 -0.12 1.15 0.44 -1.13 0.00 0.00 175.30 175.82 1lup n ILE 28 N -0.64 1.16 -4.01 4.99 -0.00 -1.26 -4.89 119.36 114.71 1lup n ILE 28 Ca 0.07 -0.29 -0.22 0.00 -0.00 0.00 0.00 62.75 62.31 1lup n ILE 28 Cb 0.53 -0.93 -0.03 0.00 -0.00 0.00 0.00 39.64 39.21 1lup n ILE 28 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1lup s ILE 29 N -0.38 5.04 0.26 7.28 -1.09 -1.26 -5.02 121.20 126.03 1lup s ILE 29 Ca 0.69 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1lup s ILE 29 Cb -0.80 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1lup s ILE 29 CO 0.54 -0.29 0.00 -3.20 -1.23 0.00 0.00 174.94 170.76 1lup n ASN 30 N -1.17 -1.07 -0.65 3.58 4.05 -1.26 -5.27 115.26 113.47 1lup n ASN 30 Ca -0.08 0.46 0.08 0.00 0.45 0.00 0.00 54.58 55.49 1lup n ASN 30 Cb 0.57 1.16 0.07 0.00 1.23 0.00 0.00 39.78 42.80 1lup n ASN 30 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01