#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 0.50 -0.17 4.37 -4.23 -1.14 -4.82 115.64 110.15 1big s THR 3 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.67 1big s THR 3 Cb 0.00 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.62 1big s THR 3 CO 0.00 -0.03 1.22 -0.90 -0.54 0.00 0.00 174.62 174.37 1big n ASP 4 N -0.43 2.30 -4.31 3.99 5.68 -1.26 -4.74 116.55 117.78 1big n ASP 4 Ca -0.00 -3.40 -0.28 0.00 -0.50 0.00 0.00 54.79 50.61 1big n ASP 4 Cb 0.66 -0.49 -0.14 0.00 -1.14 0.00 0.00 41.12 40.01 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1big s VAL 5 N -3.02 1.93 0.83 2.12 1.01 -1.26 -5.08 120.40 116.93 1big s VAL 5 Ca 0.36 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1big s VAL 5 Cb 0.33 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 35.12 1big s VAL 5 CO 0.00 0.23 1.09 -1.59 0.00 0.00 0.00 175.10 174.83 1big s LYS 6 N -1.37 1.80 0.06 2.72 0.00 -1.26 -2.53 119.74 119.15 1big s LYS 6 Ca 0.10 0.90 -0.04 0.00 0.00 0.00 0.00 55.97 56.92 1big s LYS 6 Cb -0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 37.83 35.85 1big s LYS 6 CO 0.03 -1.89 0.05 0.00 0.00 0.00 0.00 175.35 173.54 1big n THR 8 N 0.11 1.76 0.00 0.00 -2.24 -1.26 -4.52 114.28 108.12 1big n THR 8 Ca -0.15 -3.48 0.00 0.00 -2.27 0.00 0.00 64.05 58.15 1big n THR 8 Cb 0.61 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.60 1.98 0.46 3.38 0.00 -1.26 -4.70 105.19 104.45 1big n GLY 9 Ca 0.22 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 1big n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1big h SER 10 N 0.00 -1.67 -1.06 1.61 4.64 -1.89 -2.49 113.55 112.70 1big h SER 10 Ca 0.00 0.20 0.43 0.00 -0.47 0.00 0.00 61.79 61.94 1big h SER 10 Cb 0.00 0.65 -0.17 0.00 -0.31 0.00 0.00 62.40 62.56 1big h SER 10 CO 0.00 -0.48 0.59 0.11 -0.87 0.00 0.00 176.83 176.18 1big h LYS 11 N -0.58 0.00 -0.21 4.77 1.57 -1.89 0.44 116.57 120.66 1big h LYS 11 Ca 0.03 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1big h LYS 11 Cb 0.67 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1big h LYS 11 CO -0.41 0.00 -0.48 0.37 -0.57 0.00 0.00 179.45 178.36 1big h GLN 12 N 0.00 0.57 0.00 3.15 5.75 -1.72 -3.06 115.11 119.80 1big h GLN 12 Ca 0.85 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 1big h GLN 12 Cb 2.33 0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.91 1big h GLN 12 CO -0.72 0.93 0.00 0.00 -2.65 0.00 0.00 178.83 176.38 1big h TRP 14 N 0.00 -0.43 -0.53 0.00 4.06 -1.32 -0.50 115.95 117.24 1big h TRP 14 Ca 0.00 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 1big h TRP 14 Cb 0.56 0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1big h TRP 14 CO 0.00 -0.09 0.07 -1.00 -3.56 0.00 0.00 178.44 173.86 1big h PRO 15 N -0.92 0.88 -0.22 0.49 0.13 -1.71 -0.67 132.00 129.97 1big h PRO 15 Ca -0.05 -0.24 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1big h PRO 15 Cb 0.53 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1big h PRO 15 CO 0.08 0.87 0.09 0.28 -0.23 0.00 0.00 178.00 179.08 1big h VAL 16 N 0.76 0.96 -0.25 1.56 2.07 -1.60 0.68 116.25 120.43 1big h VAL 16 Ca 0.16 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1big h VAL 16 Cb 0.42 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1big h VAL 16 CO 0.01 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.50 1big h LYS 18 N 0.26 0.78 0.14 0.00 3.64 -0.83 0.90 116.57 121.46 1big h LYS 18 Ca 0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1big h LYS 18 Cb 0.65 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1big h LYS 18 CO 0.04 0.51 -0.07 0.37 -2.27 0.00 0.00 179.45 178.04 1big h GLN 19 N 0.80 -0.18 0.37 1.90 -0.00 -0.62 -2.18 115.11 115.21 1big h GLN 19 Ca 0.54 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.20 1big h GLN 19 Cb 0.79 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 1big h GLN 19 CO -0.32 0.25 -0.37 1.98 0.00 0.00 0.00 178.83 180.37 1big h MET 20 N -0.71 -0.74 0.00 1.69 4.05 -0.55 -3.41 114.93 115.26 1big h MET 20 Ca -0.02 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1big h MET 20 Cb 0.52 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1big h MET 20 CO 0.03 -0.49 -0.31 1.19 0.23 0.00 0.00 176.91 177.56 1big n PHE 21 N -5.47 0.00 0.00 1.39 3.72 0.25 -5.07 117.46 112.28 1big n PHE 21 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1big n PHE 21 Cb 0.37 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 2.80 0.85 2.82 1.37 0.00 -0.82 -4.96 105.19 107.24 1big n GLY 22 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 2.12 0.00 1.61 -0.14 -1.26 -4.90 119.74 117.17 1big s LYS 23 Ca 0.00 -3.02 0.07 0.00 -1.36 0.00 0.00 55.97 51.66 1big s LYS 23 Cb 0.00 -3.06 0.42 0.00 -1.68 0.00 0.00 37.83 33.51 1big s LYS 23 CO 0.00 -1.27 0.85 -0.35 -0.76 0.00 0.00 175.35 173.82 1big n PRO 24 N 2.31 0.26 -3.62 -1.68 -0.04 -1.26 -4.30 135.00 126.66 1big n PRO 24 Ca 0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 1big n PRO 24 Cb 0.36 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.97 6.02 -0.04 3.54 -0.87 -1.26 -4.43 114.94 115.93 1big s ASN 25 Ca 0.11 0.03 -0.07 0.00 -1.57 0.00 0.00 52.86 51.35 1big s ASN 25 Cb 0.05 -2.11 0.01 0.00 -0.02 0.00 0.00 41.25 39.18 1big s ASN 25 CO 0.08 -0.01 0.17 -0.83 -2.57 0.00 0.00 177.10 173.95 1big s GLY 26 N 1.50 -0.07 0.22 0.66 0.00 -1.26 -2.64 107.32 105.72 1big s GLY 26 Ca 0.07 0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.15 1big s GLY 26 CO 0.08 0.18 -0.15 0.54 0.00 0.00 0.00 173.10 173.76 1big s LYS 27 N -0.48 1.38 0.20 2.90 1.02 -0.11 -4.29 119.74 120.36 1big s LYS 27 Ca -0.06 -1.62 0.04 0.00 0.02 0.00 0.00 55.97 54.35 1big s LYS 27 Cb -0.04 -1.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 1big s LYS 27 CO 0.01 0.19 0.29 0.00 -0.92 0.00 0.00 175.35 174.93 1big s MET 29 N -3.59 1.10 -0.83 0.00 -1.94 0.11 -4.89 119.30 109.27 1big s MET 29 Ca 0.34 -1.83 -0.02 0.00 -1.71 0.00 0.00 55.69 52.46 1big s MET 29 Cb -0.10 -2.07 0.02 0.00 2.01 0.00 0.00 34.83 34.69 1big s MET 29 CO 0.28 -1.17 0.05 0.27 -0.01 0.00 0.00 175.02 174.44 1big n ASN 30 N 3.67 0.25 0.00 3.03 6.94 -1.26 -1.19 115.26 126.71 1big n ASN 30 Ca 0.10 -0.66 0.00 0.00 -0.02 0.00 0.00 54.58 54.00 1big n ASN 30 Cb 0.35 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.95 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 -1.65 0.93 3.53 4.83 0.00 -1.26 -5.06 105.19 106.50 1big n GLY 31 Ca -0.13 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 2.45 0.69 1.61 3.01 -0.33 0.60 119.74 127.77 1big s LYS 32 Ca 0.00 -0.75 -0.13 0.00 -1.01 0.00 0.00 55.97 54.08 1big s LYS 32 Cb 0.00 -2.40 0.01 0.00 -1.01 0.00 0.00 37.83 34.43 1big s LYS 32 CO 0.00 0.60 1.08 0.00 0.51 0.00 0.00 175.35 177.55 1big s ARG 34 N -4.55 0.70 0.36 0.00 3.52 0.18 -2.90 118.95 116.26 1big s ARG 34 Ca 0.63 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 55.98 1big s ARG 34 Cb -0.17 -0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 32.51 1big s ARG 34 CO 0.48 0.18 0.22 0.00 -0.81 0.00 0.00 175.30 175.38 1big n TYR 36 N -1.28 0.00 0.83 0.00 4.02 -1.08 -4.82 117.16 114.82 1big n TYR 36 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 1big n TYR 36 Cb 0.61 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.02 1big n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30