#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 0.68 -0.20 1.97 -4.23 -1.13 -4.84 115.64 107.89 1big s THR 3 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1big s THR 3 Cb 0.00 -2.58 0.45 0.00 1.34 0.00 0.00 72.50 71.71 1big s THR 3 CO 0.00 -0.07 1.34 -0.90 -0.54 0.00 0.00 174.62 174.45 1big n ASP 4 N -0.47 2.85 -4.24 3.99 5.75 -1.26 -4.73 116.55 118.45 1big n ASP 4 Ca -0.01 -3.35 -0.26 0.00 -0.01 0.00 0.00 54.79 51.16 1big n ASP 4 Cb 0.66 -0.54 -0.15 0.00 -1.03 0.00 0.00 41.12 40.06 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1big s VAL 5 N -3.01 1.67 0.79 2.12 1.01 -1.26 -5.08 120.40 116.64 1big s VAL 5 Ca 0.40 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1big s VAL 5 Cb 0.35 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1big s VAL 5 CO 0.03 0.30 1.09 -1.59 0.00 0.00 0.00 175.10 174.93 1big s LYS 6 N -0.94 2.10 0.06 2.72 -2.85 -1.26 -2.39 119.74 117.18 1big s LYS 6 Ca 0.08 1.00 -0.03 0.00 -1.00 0.00 0.00 55.97 56.01 1big s LYS 6 Cb -0.09 -1.89 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 1big s LYS 6 CO 0.01 -1.70 0.04 0.00 0.10 0.00 0.00 175.35 173.79 1big n THR 8 N 0.24 1.38 0.00 0.00 -2.24 -1.26 -4.58 114.28 107.82 1big n THR 8 Ca -0.15 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 1big n THR 8 Cb 0.61 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1big n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1big n GLY 9 N -0.42 3.05 0.43 3.38 0.00 -1.26 -4.80 105.19 105.57 1big n GLY 9 Ca 0.14 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1big n GLY 9 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1big h SER 10 N 0.00 -1.75 -0.99 1.61 0.87 -1.89 -2.56 113.55 108.83 1big h SER 10 Ca 0.00 0.25 0.37 0.00 -1.23 0.00 0.00 61.79 61.18 1big h SER 10 Cb 0.00 0.74 -0.18 0.00 -0.44 0.00 0.00 62.40 62.52 1big h SER 10 CO 0.00 -0.38 0.43 0.07 -0.53 0.00 0.00 176.83 176.42 1big h LYS 11 N -0.34 0.05 -0.10 2.24 2.10 -1.91 0.38 116.57 118.99 1big h LYS 11 Ca 0.11 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.62 1big h LYS 11 Cb 0.58 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1big h LYS 11 CO -0.63 0.03 -0.52 1.96 -2.00 0.00 0.00 179.45 178.29 1big h GLN 12 N 0.05 0.28 0.00 0.07 7.50 -1.77 -2.99 115.11 118.26 1big h GLN 12 Ca 0.77 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.76 1big h GLN 12 Cb 1.93 0.02 0.00 0.00 0.05 0.00 0.00 27.48 29.48 1big h GLN 12 CO -0.78 0.74 0.00 0.00 -1.50 0.00 0.00 178.83 177.29 1big h TRP 14 N 0.00 -0.61 -0.52 0.00 4.06 -1.29 -0.11 115.95 117.47 1big h TRP 14 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1big h TRP 14 Cb 0.53 0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1big h TRP 14 CO 0.00 -0.35 0.25 -1.00 -3.56 0.00 0.00 178.44 173.78 1big h PRO 15 N -1.15 0.76 -0.35 0.49 0.13 -1.72 0.16 132.00 130.32 1big h PRO 15 Ca -0.07 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1big h PRO 15 Cb 0.53 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1big h PRO 15 CO 0.11 0.63 0.21 0.28 -0.23 0.00 0.00 178.00 179.01 1big h VAL 16 N 0.70 1.05 -0.06 1.56 2.07 -1.62 -0.43 116.25 119.52 1big h VAL 16 Ca 0.18 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1big h VAL 16 Cb 0.13 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1big h VAL 16 CO -0.02 0.08 -0.50 0.00 0.02 0.00 0.00 177.57 177.15 1big h LYS 18 N 0.12 0.23 -0.19 0.00 3.64 -0.29 0.92 116.57 120.99 1big h LYS 18 Ca 0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1big h LYS 18 Cb 0.93 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1big h LYS 18 CO 0.07 0.32 -0.28 -0.56 -2.27 0.00 0.00 179.45 176.74 1big h GLN 19 N 0.08 0.52 0.23 1.90 3.07 -1.01 -2.07 115.11 117.83 1big h GLN 19 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 1big h GLN 19 Cb 0.18 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1big h GLN 19 CO -0.00 0.91 -0.11 0.52 0.09 0.00 0.00 178.83 180.24 1big h MET 20 N 0.18 -0.29 0.00 0.06 2.86 -1.19 -3.42 114.93 113.13 1big h MET 20 Ca 0.02 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1big h MET 20 Cb 0.86 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1big h MET 20 CO 0.07 -0.05 -0.39 1.19 1.06 0.00 0.00 176.91 178.79 1big n PHE 21 N -5.14 0.00 0.00 -0.22 3.01 0.15 -5.06 117.46 110.20 1big n PHE 21 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1big n PHE 21 Cb 0.21 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1big n PHE 21 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1big n GLY 22 N 2.50 0.90 2.64 1.37 0.00 -0.23 -4.98 105.19 107.39 1big n GLY 22 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 1.51 0.00 1.61 -0.14 -1.22 -4.93 119.74 116.57 1big s LYS 23 Ca 0.00 -2.48 0.04 0.00 -1.36 0.00 0.00 55.97 52.17 1big s LYS 23 Cb 0.00 -2.30 0.24 0.00 -1.68 0.00 0.00 37.83 34.08 1big s LYS 23 CO 0.00 -1.30 0.71 -0.35 -0.76 0.00 0.00 175.35 173.65 1big n PRO 24 N 2.74 0.13 -3.64 -1.68 -0.04 -1.26 -4.20 135.00 127.05 1big n PRO 24 Ca 0.21 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 1big n PRO 24 Cb 0.40 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 1big n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1big s ASN 25 N -2.00 5.66 -0.02 3.54 -0.87 -1.26 -4.43 114.94 115.56 1big s ASN 25 Ca 0.06 -0.36 -0.04 0.00 -1.57 0.00 0.00 52.86 50.94 1big s ASN 25 Cb 0.03 -2.03 0.00 0.00 -0.02 0.00 0.00 41.25 39.23 1big s ASN 25 CO 0.05 -0.15 0.10 -0.83 -2.57 0.00 0.00 177.10 173.69 1big s GLY 26 N 1.66 -0.00 0.28 0.66 0.00 -1.26 -2.52 107.32 106.14 1big s GLY 26 Ca 0.06 0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.90 1big s GLY 26 CO 0.07 -0.01 -0.04 0.54 0.00 0.00 0.00 173.10 173.66 1big s LYS 27 N -0.55 1.55 0.06 2.90 1.02 0.13 -4.25 119.74 120.60 1big s LYS 27 Ca -0.06 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.15 1big s LYS 27 Cb -0.04 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1big s LYS 27 CO 0.00 0.01 0.09 0.00 -0.92 0.00 0.00 175.35 174.54 1big s MET 29 N -2.26 0.96 -1.02 0.00 0.23 0.52 -4.88 119.30 112.86 1big s MET 29 Ca 0.29 -1.39 -0.04 0.00 -1.03 0.00 0.00 55.69 53.51 1big s MET 29 Cb -0.12 -2.31 0.04 0.00 -1.53 0.00 0.00 34.83 30.91 1big s MET 29 CO 0.21 -1.00 0.11 -1.71 -2.03 0.00 0.00 175.02 170.60 1big n ASN 30 N 4.53 0.09 0.00 -1.18 5.15 -1.26 -1.27 115.26 121.31 1big n ASN 30 Ca 0.01 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1big n ASN 30 Cb 0.41 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 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 -1.65 1.30 3.54 8.20 0.00 -1.26 -5.07 105.19 110.25 1big n GLY 31 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 1.99 0.71 1.61 1.02 -0.40 0.34 119.74 124.97 1big s LYS 32 Ca 0.00 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 1big s LYS 32 Cb 0.00 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1big s LYS 32 CO 0.00 0.50 1.08 0.00 -0.92 0.00 0.00 175.35 176.00 1big s ARG 34 N -4.80 0.73 0.36 0.00 3.52 0.27 -2.85 118.95 116.17 1big s ARG 34 Ca 0.61 -0.39 0.08 0.00 -0.13 0.00 0.00 55.73 55.90 1big s ARG 34 Cb -0.16 -0.69 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 1big s ARG 34 CO 0.52 0.19 0.15 0.00 -0.81 0.00 0.00 175.30 175.35 1big n TYR 36 N -1.18 0.00 0.53 0.00 4.02 -1.05 -4.87 117.16 114.62 1big n TYR 36 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 1big n TYR 36 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.99 1big n TYR 36 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72