#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 -0.04 0.00 0.00 0.00 1.13 -1.26 -4.41 117.38 112.79 1lup n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1lup n GLN 3 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 30.24 30.19 1lup n GLN 3 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1lup n LYS 4 N -1.85 0.00 -1.36 -1.09 4.76 -1.26 -4.95 118.16 112.42 1lup n LYS 4 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1lup n LYS 4 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1lup n TRP 5 N 0.00 -3.41 -2.93 2.13 -0.00 -1.26 -4.62 117.44 107.35 1lup n TRP 5 Ca 0.00 1.88 -0.10 0.00 -0.00 0.00 0.00 57.50 59.28 1lup n TRP 5 Cb 0.00 -3.06 -0.02 0.00 -0.00 0.00 0.00 31.31 28.23 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 -3.95 -2.53 -3.05 5.87 1.56 0.11 -4.75 117.12 110.38 1lup n MET 6 Ca -0.07 0.07 -0.36 0.00 -0.27 0.00 0.00 57.70 57.07 1lup n MET 6 Cb 0.57 -4.59 -0.06 0.00 2.15 0.00 0.00 33.22 31.28 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 -0.73 0.00 0.00 175.97 174.78 1lup s TRP 7 N -2.30 3.62 -0.05 1.12 -0.11 -1.26 -4.27 118.94 115.68 1lup s TRP 7 Ca 0.18 1.43 -0.40 0.00 1.22 0.00 0.00 56.10 58.53 1lup s TRP 7 Cb -0.10 -2.66 -0.18 0.00 -1.50 0.00 0.00 33.47 29.03 1lup s TRP 7 CO 0.22 0.29 1.31 2.41 -4.62 0.00 0.00 176.95 176.56 1lup n THR 8 N 0.56 0.04 -3.43 5.86 -1.04 -1.26 -2.95 114.28 112.06 1lup n THR 8 Ca -0.01 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1lup n THR 8 Cb 0.51 -0.51 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 1.49 -0.46 -0.16 0.00 -0.08 -1.26 -4.88 116.55 111.19 1lup n ASP 10 Ca -0.11 -1.32 -0.03 0.00 -1.51 0.00 0.00 54.79 51.82 1lup n ASP 10 Cb 0.52 0.77 0.04 0.00 2.34 0.00 0.00 41.12 44.78 1lup n ASP 10 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1lup h GLU 11 N 0.00 -0.01 -3.54 -0.67 3.07 -2.06 -3.33 114.58 108.04 1lup h GLU 11 Ca -0.07 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.21 1lup h GLU 11 Cb 0.25 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.76 1lup h GLU 11 CO 0.09 -0.00 -0.75 -2.00 -1.40 0.00 0.00 179.01 174.94 1lup s GLU 12 N -6.22 0.78 0.12 2.33 2.12 -1.26 -5.12 118.70 111.44 1lup s GLU 12 Ca -0.14 -1.18 0.08 0.00 0.36 0.00 0.00 54.97 54.09 1lup s GLU 12 Cb 0.17 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 1lup s GLU 12 CO 0.72 -1.00 -0.13 -0.98 -0.54 0.00 0.00 175.26 173.33 1lup s ARG 13 N 1.48 2.00 0.00 4.30 1.70 -1.25 -5.12 118.95 122.06 1lup s ARG 13 Ca 0.11 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.26 1lup s ARG 13 Cb -0.18 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 31.98 1lup s ARG 13 CO -0.22 0.49 0.00 1.63 -1.08 0.00 0.00 175.30 176.12 1lup n LYS 14 N 0.65 0.00 -1.78 3.89 4.76 -1.26 -4.88 118.16 119.55 1lup n LYS 14 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1lup n LYS 14 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 1lup n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lup h GLU 17 N -0.59 0.00 -1.83 0.00 4.11 -1.91 -2.78 114.58 111.59 1lup h GLU 17 Ca -0.46 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.55 1lup h GLU 17 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 1lup h GLU 17 CO 0.51 0.00 0.37 0.41 0.07 0.00 0.00 179.01 180.36 1lup n GLY 18 N -1.17 4.22 3.43 1.06 0.00 -1.26 -4.84 105.19 106.62 1lup n GLY 18 Ca -0.02 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1lup n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lup s LEU 19 N -1.97 -0.10 0.58 0.99 1.43 -1.05 -4.96 118.68 113.60 1lup s LEU 19 Ca 0.50 1.09 -0.09 0.00 -1.03 0.00 0.00 54.13 54.60 1lup s LEU 19 Cb 0.33 1.82 -0.03 0.00 0.03 0.00 0.00 46.19 48.34 1lup s LEU 19 CO -0.14 -0.19 0.96 0.54 0.23 0.00 0.00 176.35 177.75 1lup s VAL 20 N 0.47 4.63 -0.27 -1.59 0.11 -1.25 -4.95 120.40 117.56 1lup s VAL 20 Ca -0.02 0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1lup s VAL 20 Cb -0.04 -3.82 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 1lup s VAL 20 CO -0.02 -0.99 -0.02 0.00 -3.33 0.00 0.00 175.10 170.74 1lup s ARG 22 N 1.36 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 114.87 1lup s ARG 22 Ca 0.00 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1lup s ARG 22 Cb -0.17 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.42 1lup s ARG 22 CO -0.02 -0.53 0.00 1.28 0.02 0.00 0.00 175.30 176.05 1lup n LEU 23 N 5.10 0.00 -3.72 2.53 4.77 -1.26 -4.57 117.00 119.86 1lup n LEU 23 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 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 -0.13 0.00 0.12 -1.66 -1.33 0.00 0.00 177.39 174.39 1lup s TRP 24 N 0.00 -0.52 -0.35 -1.77 -2.14 -1.26 -2.63 118.94 110.27 1lup s TRP 24 Ca 0.00 1.23 -0.43 0.00 2.66 0.00 0.00 56.10 59.56 1lup s TRP 24 Cb 0.00 0.19 -0.17 0.00 -3.10 0.00 0.00 33.47 30.38 1lup s TRP 24 CO 0.00 -0.26 1.67 0.00 -2.66 0.00 0.00 176.95 175.70 1lup s LYS 26 N 3.19 2.17 0.00 0.00 1.02 -1.25 0.06 119.74 124.94 1lup s LYS 26 Ca 1.01 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 56.09 1lup s LYS 26 Cb -1.24 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1lup s LYS 26 CO 0.72 0.57 0.00 0.54 -0.92 0.00 0.00 175.35 176.26 1lup n ARG 27 N 2.05 -1.43 -3.75 1.68 3.00 -1.26 -3.78 116.66 113.16 1lup n ARG 27 Ca -0.16 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.85 57.54 1lup n ARG 27 Cb 0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 32.46 32.86 1lup n ARG 27 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1lup s ILE 28 N -1.01 -0.00 0.06 0.55 -0.00 -1.26 -4.89 121.20 114.65 1lup s ILE 28 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 60.65 60.63 1lup s ILE 28 Cb -0.00 -0.47 -0.02 0.00 -0.00 0.00 0.00 42.46 41.97 1lup s ILE 28 CO 0.00 0.01 0.05 -0.63 -0.00 0.00 0.00 174.94 174.37 1lup s ILE 29 N 0.31 0.18 -0.17 8.37 1.09 -1.26 -5.07 121.20 124.66 1lup s ILE 29 Ca -0.01 -1.48 0.07 0.00 -1.10 0.00 0.00 60.65 58.13 1lup s ILE 29 Cb -0.03 -1.31 -0.15 0.00 -1.06 0.00 0.00 42.46 39.91 1lup s ILE 29 CO -0.01 -0.82 -0.07 0.59 -0.10 0.00 0.00 174.94 174.54 1lup n ASN 30 N 0.24 2.06 -0.29 3.58 3.02 -1.26 -5.34 115.26 117.28 1lup n ASN 30 Ca -0.16 -0.06 0.15 0.00 -0.03 0.00 0.00 54.58 54.49 1lup n ASN 30 Cb 0.61 0.22 0.70 0.00 -0.61 0.00 0.00 39.78 40.70 1lup n ASN 30 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87