#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 0.44 -0.16 4.37 -4.23 -1.19 -4.92 115.64 109.94 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 -2.47 0.42 0.00 1.34 0.00 0.00 72.50 71.79 1big s THR 3 CO 0.00 0.00 1.21 -0.67 -0.54 0.00 0.00 174.62 174.62 1big n ASP 4 N -1.13 1.55 -4.66 3.99 2.03 -1.26 -4.69 116.55 112.39 1big n ASP 4 Ca -0.01 -3.46 -0.27 0.00 0.52 0.00 0.00 54.79 51.56 1big n ASP 4 Cb 0.65 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.49 3.77 0.65 5.18 0.11 -1.26 -5.02 120.40 121.33 1big s VAL 5 Ca 0.37 -1.32 -0.15 0.00 -2.93 0.00 0.00 61.98 57.95 1big s VAL 5 Cb 0.37 -2.87 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1big s VAL 5 CO -0.09 -0.05 1.09 -1.59 -3.33 0.00 0.00 175.10 171.13 1big s LYS 6 N -2.77 2.92 0.09 1.54 -2.85 -1.26 -1.89 119.74 115.53 1big s LYS 6 Ca 0.27 1.32 0.03 0.00 -1.00 0.00 0.00 55.97 56.58 1big s LYS 6 Cb -0.10 -1.97 -0.04 0.00 -2.06 0.00 0.00 37.83 33.66 1big s LYS 6 CO 0.18 -1.14 -0.08 0.00 0.10 0.00 0.00 175.35 174.41 1big n THR 8 N 0.32 1.39 0.00 0.00 -2.24 -1.26 -4.53 114.28 107.96 1big n THR 8 Ca -0.15 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 1big n THR 8 Cb 0.59 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.43 2.74 0.39 3.38 0.00 -1.26 -4.84 105.19 105.17 1big n GLY 9 Ca 0.14 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1big n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1big h SER 10 N 0.00 -0.81 -1.07 1.61 0.02 -1.86 -3.30 113.55 108.15 1big h SER 10 Ca 0.00 0.01 0.42 0.00 -0.84 0.00 0.00 61.79 61.38 1big h SER 10 Cb 0.00 0.21 -0.17 0.00 0.14 0.00 0.00 62.40 62.58 1big h SER 10 CO 0.00 -0.44 0.61 0.11 -1.14 0.00 0.00 176.83 175.97 1big h LYS 11 N -1.21 0.03 -0.47 3.45 1.57 -1.93 0.13 116.57 118.14 1big h LYS 11 Ca -0.10 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1big h LYS 11 Cb 0.75 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1big h LYS 11 CO 0.16 0.02 0.31 0.37 -0.57 0.00 0.00 179.45 179.74 1big h GLN 12 N 0.03 0.48 0.00 3.15 -0.00 -1.88 -1.82 115.11 115.06 1big h GLN 12 Ca 0.85 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.47 1big h GLN 12 Cb 2.31 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 29.68 1big h GLN 12 CO -0.70 0.31 0.00 0.00 0.00 0.00 0.00 178.83 178.45 1big h TRP 14 N 0.00 -0.63 -0.40 0.00 4.06 -1.39 0.09 115.95 117.69 1big h TRP 14 Ca 0.00 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 1big h TRP 14 Cb 0.36 0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1big h TRP 14 CO 0.00 -0.39 -0.06 -1.00 -3.56 0.00 0.00 178.44 173.43 1big h PRO 15 N -1.13 0.75 -0.23 0.49 0.13 -1.73 -0.64 132.00 129.65 1big h PRO 15 Ca -0.07 -0.27 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1big h PRO 15 Cb 0.52 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1big h PRO 15 CO 0.11 0.87 0.14 0.28 -0.23 0.00 0.00 178.00 179.17 1big h VAL 16 N 0.57 1.04 -0.35 1.56 2.07 -1.64 -0.37 116.25 119.13 1big h VAL 16 Ca 0.11 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1big h VAL 16 Cb 0.57 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1big h VAL 16 CO 0.03 0.05 -0.39 0.00 0.02 0.00 0.00 177.57 177.29 1big h LYS 18 N 0.68 0.59 0.00 0.00 3.64 -0.74 0.29 116.57 121.04 1big h LYS 18 Ca 0.05 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1big h LYS 18 Cb 0.98 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1big h LYS 18 CO 0.09 0.39 -0.00 0.37 -2.27 0.00 0.00 179.45 178.04 1big h GLN 19 N 0.61 -0.00 0.03 1.90 5.75 -0.83 -2.21 115.11 120.36 1big h GLN 19 Ca 0.50 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 59.02 1big h GLN 19 Cb 0.75 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.26 1big h GLN 19 CO -0.39 0.53 -0.28 1.98 -2.65 0.00 0.00 178.83 178.02 1big h MET 20 N -0.53 -0.42 0.00 1.69 4.05 -0.41 -3.41 114.93 115.89 1big h MET 20 Ca -0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1big h MET 20 Cb 0.53 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1big h MET 20 CO 0.00 -0.28 -0.38 0.34 0.23 0.00 0.00 176.91 176.82 1big n PHE 21 N -5.39 -0.19 0.00 1.39 -0.00 0.02 -5.07 117.46 108.22 1big n PHE 21 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1big n PHE 21 Cb 0.30 0.07 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 1big n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1big n GLY 22 N 3.06 0.48 2.96 7.13 0.00 -0.83 -4.99 105.19 113.00 1big n GLY 22 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.85 0.00 1.61 3.01 -1.24 -4.89 119.74 120.08 1big s LYS 23 Ca 0.00 -2.44 0.07 0.00 -1.01 0.00 0.00 55.97 52.59 1big s LYS 23 Cb 0.00 -3.27 0.38 0.00 -1.01 0.00 0.00 37.83 33.93 1big s LYS 23 CO 0.00 -1.07 1.07 -0.35 0.51 0.00 0.00 175.35 175.51 1big n PRO 24 N 3.37 0.12 -4.76 -1.68 -0.04 -1.26 -3.30 135.00 127.45 1big n PRO 24 Ca 0.05 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 1big n PRO 24 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.50 3.87 0.05 3.54 -0.87 -1.26 -4.28 114.94 113.48 1big s ASN 25 Ca 0.07 -0.34 -0.27 0.00 -1.57 0.00 0.00 52.86 50.75 1big s ASN 25 Cb 0.05 -0.69 0.07 0.00 -0.02 0.00 0.00 41.25 40.66 1big s ASN 25 CO 0.11 0.29 0.64 -0.83 -2.57 0.00 0.00 177.10 174.74 1big s GLY 26 N -1.17 -0.60 0.44 0.66 0.00 -1.25 -2.08 107.32 103.32 1big s GLY 26 Ca 0.14 0.94 0.03 0.00 0.00 0.00 0.00 44.72 45.83 1big s GLY 26 CO 0.04 0.59 0.11 -1.59 0.00 0.00 0.00 173.10 172.25 1big s LYS 27 N -2.36 2.01 0.24 2.90 -2.85 0.34 -4.15 119.74 115.86 1big s LYS 27 Ca -0.06 -2.25 0.10 0.00 -1.00 0.00 0.00 55.97 52.77 1big s LYS 27 Cb -0.00 -0.76 -0.04 0.00 -2.06 0.00 0.00 37.83 34.96 1big s LYS 27 CO -0.00 -0.48 -0.12 0.00 0.10 0.00 0.00 175.35 174.84 1big s MET 29 N -3.26 1.28 -0.72 0.00 1.00 0.18 -4.88 119.30 112.90 1big s MET 29 Ca 0.28 -2.28 -0.01 0.00 0.00 0.00 0.00 55.69 53.68 1big s MET 29 Cb -0.07 -2.01 0.00 0.00 0.00 0.00 0.00 34.83 32.75 1big s MET 29 CO 0.16 -1.31 0.02 0.27 0.00 0.00 0.00 175.02 174.16 1big n ASN 30 N 2.91 0.29 0.00 3.03 6.94 -1.26 -1.22 115.26 125.95 1big n ASN 30 Ca 0.22 -0.61 0.00 0.00 -0.02 0.00 0.00 54.58 54.17 1big n ASN 30 Cb 0.41 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1big n GLY 31 N -1.73 1.81 3.56 4.83 0.00 -1.26 -5.06 105.19 107.34 1big n GLY 31 Ca -0.15 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 2.64 0.70 1.61 -0.14 -0.35 0.44 119.74 124.64 1big s LYS 32 Ca 0.00 -0.62 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 1big s LYS 32 Cb 0.00 -2.52 0.02 0.00 -1.68 0.00 0.00 37.83 33.65 1big s LYS 32 CO 0.00 0.64 1.08 0.00 -0.76 0.00 0.00 175.35 176.31 1big s ARG 34 N -4.64 0.52 0.39 0.00 6.06 0.15 -3.20 118.95 118.22 1big s ARG 34 Ca 0.62 -0.97 0.08 0.00 -2.50 0.00 0.00 55.73 52.96 1big s ARG 34 Cb -0.17 0.09 -0.07 0.00 0.06 0.00 0.00 34.95 34.86 1big s ARG 34 CO 0.50 -0.07 0.01 0.00 -2.50 0.00 0.00 175.30 173.24 1big n TYR 36 N -0.96 0.93 0.00 0.00 4.02 -0.88 -4.75 117.16 115.51 1big n TYR 36 Ca -0.04 -2.45 0.00 0.00 -0.01 0.00 0.00 57.90 55.40 1big n TYR 36 Cb 0.65 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28