#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 1.03 0.00 -2.65 0.00 1.13 -1.25 -4.68 117.38 110.96 1lup n GLN 3 Ca -0.22 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.82 1lup n GLN 3 Cb 0.34 -0.68 0.09 0.00 0.11 0.00 0.00 30.24 30.11 1lup n GLN 3 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1lup n LYS 4 N -0.18 0.02 -1.43 -1.09 3.00 -1.26 -4.93 118.16 112.29 1lup n LYS 4 Ca 0.00 -0.52 0.14 0.00 -0.00 0.00 0.00 58.31 57.92 1lup n LYS 4 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 35.03 34.94 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1lup n TRP 5 N 0.30 -3.73 -4.27 5.64 -0.00 -1.26 -4.68 117.44 109.44 1lup n TRP 5 Ca -0.12 2.06 -0.39 0.00 -0.00 0.00 0.00 57.50 59.05 1lup n TRP 5 Cb 0.74 -3.34 -0.07 0.00 -0.00 0.00 0.00 31.31 28.63 1lup n TRP 5 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1lup n MET 6 N -4.00 -0.81 -3.45 5.87 2.81 0.38 -4.73 117.12 113.20 1lup n MET 6 Ca -0.08 0.13 -0.29 0.00 -1.81 0.00 0.00 57.70 55.65 1lup n MET 6 Cb 0.61 -4.39 -0.04 0.00 -0.71 0.00 0.00 33.22 28.70 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1lup s TRP 7 N -3.05 3.47 -0.35 2.03 -0.11 -1.26 -4.27 118.94 115.39 1lup s TRP 7 Ca 0.76 0.63 -0.38 0.00 1.22 0.00 0.00 56.10 58.32 1lup s TRP 7 Cb -0.44 -2.08 -0.14 0.00 -1.50 0.00 0.00 33.47 29.31 1lup s TRP 7 CO 0.93 0.25 2.07 2.41 -4.62 0.00 0.00 176.95 177.98 1lup n THR 8 N -0.63 0.20 -4.19 5.86 -1.04 -1.26 -2.22 114.28 111.00 1lup n THR 8 Ca -0.02 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.48 1lup n THR 8 Cb 0.53 -1.36 -0.13 0.00 -1.82 0.00 0.00 70.33 67.55 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 4.12 0.00 0.01 0.00 8.00 -1.26 -4.26 116.55 123.16 1lup n ASP 10 Ca -0.17 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 1lup n ASP 10 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 1lup n ASP 10 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1lup h GLU 11 N 0.00 -0.01 -3.21 -1.24 3.07 -2.03 -3.41 114.58 107.76 1lup h GLU 11 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1lup h GLU 11 Cb 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.51 1lup h GLU 11 CO 0.00 0.29 -0.77 -1.21 -1.40 0.00 0.00 179.01 175.92 1lup s GLU 12 N -5.01 0.51 -0.22 2.33 0.41 -1.26 -5.11 118.70 110.36 1lup s GLU 12 Ca -0.15 -0.89 -0.18 0.00 -0.41 0.00 0.00 54.97 53.35 1lup s GLU 12 Cb 0.03 -1.65 -0.03 0.00 -1.78 0.00 0.00 34.13 30.70 1lup s GLU 12 CO 0.67 -1.01 0.48 1.03 -0.49 0.00 0.00 175.26 175.94 1lup s ARG 13 N 1.76 4.15 -0.07 1.61 1.81 -1.26 -4.71 118.95 122.23 1lup s ARG 13 Ca 0.10 0.32 -0.04 0.00 -1.72 0.00 0.00 55.73 54.39 1lup s ARG 13 Cb -0.17 -3.58 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 1lup s ARG 13 CO -0.28 -0.18 -0.11 1.63 -0.68 0.00 0.00 175.30 175.68 1lup n LYS 14 N 4.92 0.17 -1.15 3.54 4.01 -1.26 -4.98 118.16 123.42 1lup n LYS 14 Ca -0.06 0.08 -0.39 0.00 -0.51 0.00 0.00 58.31 57.43 1lup n LYS 14 Cb 0.50 -0.79 -0.02 0.00 -0.51 0.00 0.00 35.03 34.21 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 1.31 0.00 -0.01 0.00 4.11 -2.00 -0.74 114.58 117.25 1lup h GLU 17 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1lup h GLU 17 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1lup h GLU 17 CO 0.56 0.00 0.21 0.78 0.07 0.00 0.00 179.01 180.63 1lup h GLY 18 N 0.00 0.00 -5.29 1.06 0.00 -2.00 -3.41 103.07 93.43 1lup h GLY 18 Ca 0.12 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.81 1lup h GLY 18 CO -0.00 0.00 -0.39 1.08 0.00 0.00 0.00 176.54 177.23 1lup s LEU 19 N -5.94 4.40 0.88 3.11 1.43 -0.29 -4.77 118.68 117.49 1lup s LEU 19 Ca -0.04 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1lup s LEU 19 Cb 0.10 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 44.06 1lup s LEU 19 CO 0.33 0.34 1.10 -0.69 0.23 0.00 0.00 176.35 177.66 1lup s VAL 20 N -1.13 2.67 -0.36 -1.59 1.01 0.17 -4.78 120.40 116.39 1lup s VAL 20 Ca 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1lup s VAL 20 Cb -0.13 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1lup s VAL 20 CO 0.10 -0.29 0.11 0.00 0.00 0.00 0.00 175.10 175.03 1lup s ARG 22 N 1.13 0.28 0.00 0.00 0.52 -1.26 -4.99 118.95 114.63 1lup s ARG 22 Ca 0.04 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 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 -0.04 -0.52 0.00 1.28 0.02 0.00 0.00 175.30 176.05 1lup n LEU 23 N 5.13 0.00 -3.77 2.53 4.77 -1.26 -4.59 117.00 119.80 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 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1lup n LEU 23 CO -0.13 0.00 -0.17 -1.66 -1.33 0.00 0.00 177.39 174.10 1lup s TRP 24 N 0.00 -0.22 -0.41 -1.77 -2.14 -1.26 -3.07 118.94 110.07 1lup s TRP 24 Ca 0.00 0.56 -0.40 0.00 2.66 0.00 0.00 56.10 58.93 1lup s TRP 24 Cb 0.00 0.02 -0.15 0.00 -3.10 0.00 0.00 33.47 30.24 1lup s TRP 24 CO 0.00 -0.15 2.11 0.00 -2.66 0.00 0.00 176.95 176.25 1lup s LYS 26 N 5.77 1.45 0.21 0.00 1.02 -1.15 0.14 119.74 127.19 1lup s LYS 26 Ca 1.13 -0.86 -0.27 0.00 0.02 0.00 0.00 55.97 55.98 1lup s LYS 26 Cb -1.15 -1.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.56 1lup s LYS 26 CO 0.58 0.40 0.85 1.03 -0.92 0.00 0.00 175.35 177.29 1lup s ARG 27 N -0.95 4.66 -0.54 1.68 3.00 -1.26 0.42 118.95 125.95 1lup s ARG 27 Ca 0.07 1.28 -0.26 0.00 0.00 0.00 0.00 55.73 56.82 1lup s ARG 27 Cb -0.08 -3.20 -0.05 0.00 0.00 0.00 0.00 34.95 31.62 1lup s ARG 27 CO 0.01 0.51 2.19 0.42 0.00 0.00 0.00 175.30 178.44 1lup s ILE 28 N -1.23 3.14 0.15 1.52 -1.09 -1.26 -4.93 121.20 117.50 1lup s ILE 28 Ca 0.39 0.08 0.05 0.00 -2.23 0.00 0.00 60.65 58.94 1lup s ILE 28 Cb -0.23 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1lup s ILE 28 CO 0.28 -0.37 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.88 1lup s ILE 29 N 11.00 1.19 -0.42 2.92 -1.09 -1.26 -4.95 121.20 128.60 1lup s ILE 29 Ca 0.85 -2.06 -0.15 0.00 -2.23 0.00 0.00 60.65 57.06 1lup s ILE 29 Cb -0.15 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.90 1lup s ILE 29 CO 0.24 -0.74 0.58 0.59 -1.23 0.00 0.00 174.94 174.38 1lup n ASN 30 N -0.19 -7.77 -0.06 3.58 3.02 -1.26 -5.28 115.26 107.30 1lup n ASN 30 Ca -0.10 0.52 0.16 0.00 -0.03 0.00 0.00 54.58 55.13 1lup n ASN 30 Cb 0.61 -5.26 0.90 0.00 -0.61 0.00 0.00 39.78 35.41 1lup n ASN 30 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79