#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1big s THR 3 N 0.00 0.89 -0.36 1.97 -4.23 -0.89 -4.91 115.64 108.12 1big s THR 3 Ca 0.00 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1big s THR 3 Cb 0.00 -2.37 0.45 0.00 1.34 0.00 0.00 72.50 71.91 1big s THR 3 CO 0.00 -0.28 1.12 -0.67 -0.54 0.00 0.00 174.62 174.25 1big n ASP 4 N -0.40 4.20 -4.81 3.99 2.03 -1.26 -4.03 116.55 116.27 1big n ASP 4 Ca -0.04 -3.49 -0.28 0.00 0.52 0.00 0.00 54.79 51.49 1big n ASP 4 Cb 0.64 -0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 1big n ASP 4 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1big s VAL 5 N -4.83 4.63 -0.16 5.18 0.11 -1.26 -4.96 120.40 119.11 1big s VAL 5 Ca 0.45 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 1big s VAL 5 Cb 0.40 -3.32 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1big s VAL 5 CO -0.07 -0.02 1.52 -0.54 -3.33 0.00 0.00 175.10 172.65 1big s LYS 6 N -2.87 4.04 0.37 1.54 1.02 -1.25 -2.85 119.74 119.75 1big s LYS 6 Ca 0.31 1.81 0.04 0.00 0.02 0.00 0.00 55.97 58.14 1big s LYS 6 Cb -0.11 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 1big s LYS 6 CO 0.24 -0.98 0.07 0.00 -0.92 0.00 0.00 175.35 173.75 1big n THR 8 N -0.82 0.00 -3.94 0.00 -1.04 -1.26 -4.09 114.28 103.12 1big n THR 8 Ca -0.05 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.88 1big n THR 8 Cb 0.66 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 68.29 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1big s GLY 9 N -4.39 0.31 0.17 3.41 0.00 -1.26 -4.87 107.32 100.69 1big s GLY 9 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 44.72 43.78 1big s GLY 9 CO 0.00 -0.44 1.56 0.23 0.00 0.00 0.00 173.10 174.45 1big h SER 10 N 2.17 -1.66 -0.98 1.64 0.87 -1.87 -1.65 113.55 112.07 1big h SER 10 Ca -0.24 0.27 0.34 0.00 -1.23 0.00 0.00 61.79 60.92 1big h SER 10 Cb 1.25 0.75 -0.17 0.00 -0.44 0.00 0.00 62.40 63.79 1big h SER 10 CO 0.31 -0.32 0.38 0.11 -0.53 0.00 0.00 176.83 176.78 1big h LYS 11 N -0.19 0.10 -0.30 2.24 1.57 -1.97 0.33 116.57 118.34 1big h LYS 11 Ca 0.18 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 1big h LYS 11 Cb 0.55 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1big h LYS 11 CO -0.75 0.06 -0.41 1.96 -0.57 0.00 0.00 179.45 179.74 1big h GLN 12 N 0.10 0.82 0.00 3.15 1.08 -1.72 -3.17 115.11 115.37 1big h GLN 12 Ca 0.72 -0.47 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1big h GLN 12 Cb 1.71 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.18 1big h GLN 12 CO -0.76 1.11 -0.20 0.00 -0.95 0.00 0.00 178.83 178.03 1big h TRP 14 N 0.00 -1.22 -0.53 0.00 4.06 -0.99 -0.27 115.95 117.00 1big h TRP 14 Ca -0.00 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1big h TRP 14 Cb 0.72 0.42 -0.02 0.00 -1.00 0.00 0.00 29.16 29.27 1big h TRP 14 CO 0.00 -0.72 0.18 -1.00 -3.56 0.00 0.00 178.44 173.34 1big h PRO 15 N -1.23 0.82 -0.82 0.49 0.13 -1.72 -0.92 132.00 128.75 1big h PRO 15 Ca -0.12 -0.17 0.12 0.00 -0.87 0.00 0.00 66.00 64.96 1big h PRO 15 Cb 0.96 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 31.89 1big h PRO 15 CO 0.17 0.74 0.44 0.28 -0.23 0.00 0.00 178.00 179.40 1big h VAL 16 N 0.73 0.82 -0.22 1.56 2.07 -1.51 0.28 116.25 119.98 1big h VAL 16 Ca 0.17 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1big h VAL 16 Cb 0.25 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1big h VAL 16 CO -0.01 0.13 -0.27 0.00 0.02 0.00 0.00 177.57 177.44 1big h LYS 18 N 0.26 0.53 0.30 0.00 3.64 0.14 0.15 116.57 121.58 1big h LYS 18 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1big h LYS 18 Cb 0.84 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1big h LYS 18 CO 0.06 0.35 -0.14 0.37 -2.27 0.00 0.00 179.45 177.83 1big h GLN 19 N 0.55 -0.38 0.56 1.90 4.15 -0.83 -2.77 115.11 118.29 1big h GLN 19 Ca 0.52 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.94 1big h GLN 19 Cb 0.86 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 1big h GLN 19 CO -0.43 -0.06 -0.31 1.98 -1.93 0.00 0.00 178.83 178.08 1big h MET 20 N -0.94 -0.78 0.00 1.69 4.05 -0.83 -3.41 114.93 114.71 1big h MET 20 Ca -0.04 0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1big h MET 20 Cb 0.50 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1big h MET 20 CO 0.07 -0.52 -0.82 1.19 0.23 0.00 0.00 176.91 177.06 1big n PHE 21 N -5.45 0.00 0.00 1.39 3.72 0.35 -5.05 117.46 112.42 1big n PHE 21 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1big n PHE 21 Cb 0.34 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1big n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1big n GLY 22 N 2.08 0.77 2.73 1.37 0.00 -0.29 -4.98 105.19 106.87 1big n GLY 22 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1big n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 23 N 0.00 1.41 0.00 1.61 -0.14 -1.20 -4.87 119.74 116.54 1big s LYS 23 Ca 0.00 -2.16 0.03 0.00 -1.36 0.00 0.00 55.97 52.48 1big s LYS 23 Cb 0.00 -2.45 0.16 0.00 -1.68 0.00 0.00 37.83 33.86 1big s LYS 23 CO 0.00 -1.18 0.55 -0.35 -0.76 0.00 0.00 175.35 173.61 1big n PRO 24 N 3.36 0.11 -2.88 -1.68 -0.04 -1.26 -2.95 135.00 129.65 1big n PRO 24 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1big n PRO 24 Cb 0.35 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1big n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1big n ASN 25 N -0.88 2.15 0.00 3.54 4.13 -1.26 -4.26 115.26 118.69 1big n ASN 25 Ca 0.02 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.29 1big n ASN 25 Cb 0.01 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1big n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1big n GLY 26 N 1.85 1.00 3.21 7.41 0.00 -1.26 -4.12 105.19 113.27 1big n GLY 26 Ca -0.04 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 1big n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1big s LYS 27 N -1.06 1.11 0.21 1.61 -2.85 0.26 -4.69 119.74 114.32 1big s LYS 27 Ca 0.00 -1.51 0.07 0.00 -1.00 0.00 0.00 55.97 53.53 1big s LYS 27 Cb 0.00 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1big s LYS 27 CO 0.00 -0.35 0.11 0.00 0.10 0.00 0.00 175.35 175.21 1big s MET 29 N -3.43 1.45 -0.66 0.00 1.00 0.23 -4.87 119.30 113.01 1big s MET 29 Ca 0.31 -2.46 -0.07 0.00 0.00 0.00 0.00 55.69 53.47 1big s MET 29 Cb -0.09 -2.19 0.01 0.00 0.00 0.00 0.00 34.83 32.56 1big s MET 29 CO 0.23 -1.32 0.13 -1.71 0.00 0.00 0.00 175.02 172.34 1big n ASN 30 N 2.71 -0.48 0.00 3.03 5.15 -1.26 -1.23 115.26 123.18 1big n ASN 30 Ca 0.23 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 1big n ASN 30 Cb 0.41 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1big n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1big n GLY 31 N -1.64 3.05 3.40 8.20 0.00 -1.26 -5.05 105.19 111.89 1big n GLY 31 Ca -0.11 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1big n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 32 N 0.00 2.87 0.69 1.61 -0.14 -0.37 -0.42 119.74 123.98 1big s LYS 32 Ca 0.00 -0.72 -0.13 0.00 -1.36 0.00 0.00 55.97 53.76 1big s LYS 32 Cb 0.00 -2.45 0.01 0.00 -1.68 0.00 0.00 37.83 33.71 1big s LYS 32 CO 0.00 0.42 1.08 0.00 -0.76 0.00 0.00 175.35 176.09 1big s ARG 34 N -4.56 0.27 0.29 0.00 6.06 0.18 -2.09 118.95 119.11 1big s ARG 34 Ca 0.62 -0.29 0.11 0.00 -2.50 0.00 0.00 55.73 53.67 1big s ARG 34 Cb -0.17 -0.15 -0.05 0.00 0.06 0.00 0.00 34.95 34.64 1big s ARG 34 CO 0.48 0.03 -0.17 0.00 -2.50 0.00 0.00 175.30 173.14 1big n TYR 36 N -0.67 -1.15 0.29 0.00 4.01 -1.26 -4.60 117.16 113.77 1big n TYR 36 Ca -0.05 -0.52 0.03 0.00 -0.16 0.00 0.00 57.90 57.20 1big n TYR 36 Cb 0.60 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.57 1big n TYR 36 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85