#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 0.42 -0.20 1.97 -4.23 -1.13 -4.86 115.64 107.61 1big s THR 3 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1big s THR 3 Cb 0.00 -2.34 0.40 0.00 1.34 0.00 0.00 72.50 71.90 1big s THR 3 CO 0.00 0.00 1.25 -0.90 -0.54 0.00 0.00 174.62 174.43 1big n ASP 4 N -1.44 2.17 -4.24 3.99 5.68 -1.26 -4.69 116.55 116.77 1big n ASP 4 Ca -0.03 -3.59 -0.27 0.00 -0.50 0.00 0.00 54.79 50.40 1big n ASP 4 Cb 0.64 -0.52 -0.15 0.00 -1.14 0.00 0.00 41.12 39.95 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 -3.11 1.68 0.49 2.12 1.01 -1.26 -5.05 120.40 116.28 1big s VAL 5 Ca 0.38 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1big s VAL 5 Cb 0.35 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1big s VAL 5 CO -0.02 0.37 1.11 -0.54 0.00 0.00 0.00 175.10 176.03 1big s LYS 6 N -0.76 3.65 0.24 2.72 -0.14 -1.26 -1.56 119.74 122.63 1big s LYS 6 Ca 0.08 1.60 0.01 0.00 -1.36 0.00 0.00 55.97 56.30 1big s LYS 6 Cb -0.08 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 1big s LYS 6 CO 0.00 -0.60 0.19 0.00 -0.76 0.00 0.00 175.35 174.18 1big n THR 8 N -0.39 0.00 -4.29 0.00 5.66 -1.26 -4.20 114.28 109.80 1big n THR 8 Ca 0.04 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.88 1big n THR 8 Cb 0.65 -0.11 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1big s GLY 9 N -2.88 1.34 -0.03 1.09 0.00 -1.26 -5.00 107.32 100.58 1big s GLY 9 Ca 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 44.72 42.84 1big s GLY 9 CO 0.00 -1.62 1.03 1.48 0.00 0.00 0.00 173.10 173.98 1big h SER 10 N 2.61 -0.25 -0.00 1.64 4.64 -1.86 -3.22 113.55 117.09 1big h SER 10 Ca -0.37 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1big h SER 10 Cb 1.21 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1big h SER 10 CO 0.64 0.22 0.08 0.11 -0.87 0.00 0.00 176.83 177.00 1big h LYS 11 N -0.81 0.00 -0.04 4.77 1.57 -1.92 -0.64 116.57 119.49 1big h LYS 11 Ca -0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1big h LYS 11 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1big h LYS 11 CO 0.05 0.00 -0.49 0.37 -0.57 0.00 0.00 179.45 178.81 1big h GLN 12 N 0.00 0.09 -0.00 3.15 4.15 -1.88 -2.82 115.11 117.81 1big h GLN 12 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1big h GLN 12 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1big h GLN 12 CO -0.00 0.57 -0.00 0.00 -1.93 0.00 0.00 178.83 177.47 1big h TRP 14 N 0.02 -0.59 -0.39 0.00 4.06 -1.60 0.07 115.95 117.52 1big h TRP 14 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1big h TRP 14 Cb 0.08 0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1big h TRP 14 CO 0.00 -0.37 0.08 -1.00 -3.56 0.00 0.00 178.44 173.59 1big h PRO 15 N -1.13 0.64 -0.53 0.49 0.13 -1.76 -0.94 132.00 128.90 1big h PRO 15 Ca -0.07 -0.17 0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1big h PRO 15 Cb 0.49 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 1big h PRO 15 CO 0.11 0.68 0.30 0.28 -0.23 0.00 0.00 178.00 179.15 1big h VAL 16 N 0.50 1.03 -0.21 1.56 2.07 -1.63 -0.31 116.25 119.24 1big h VAL 16 Ca 0.12 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1big h VAL 16 Cb 0.34 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1big h VAL 16 CO 0.01 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.47 1big h LYS 18 N 0.22 0.44 -0.08 0.00 3.64 -0.18 0.20 116.57 120.81 1big h LYS 18 Ca 0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1big h LYS 18 Cb 0.79 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1big h LYS 18 CO 0.06 0.29 -0.12 0.37 -2.27 0.00 0.00 179.45 177.78 1big h GLN 19 N 0.45 0.22 0.45 1.90 4.15 -0.83 -2.92 115.11 118.54 1big h GLN 19 Ca 0.58 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.85 1big h GLN 19 Cb 1.09 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1big h GLN 19 CO -0.51 0.69 -0.22 0.52 -1.93 0.00 0.00 178.83 177.38 1big h MET 20 N -0.24 -0.59 0.00 1.69 2.86 0.23 -3.43 114.93 115.45 1big h MET 20 Ca 0.01 0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1big h MET 20 Cb 0.67 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 1big h MET 20 CO 0.03 -0.31 -1.58 1.19 1.06 0.00 0.00 176.91 177.30 1big n PHE 21 N -5.20 0.00 0.00 -0.22 3.01 0.56 -5.05 117.46 110.56 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 0.28 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 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 1.61 0.67 2.95 1.37 0.00 -0.79 -4.99 105.19 106.01 1big n GLY 22 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 1.76 0.00 1.61 3.01 -1.25 -4.88 119.74 120.00 1big s LYS 23 Ca 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 1big s LYS 23 Cb 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 37.83 34.61 1big s LYS 23 CO 0.00 -0.42 0.53 -0.35 0.51 0.00 0.00 175.35 175.62 1big n PRO 24 N 4.78 0.72 -3.92 -1.68 -0.04 -1.26 -1.61 135.00 131.98 1big n PRO 24 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 1big n PRO 24 Cb 0.47 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.16 2.40 0.00 3.54 4.13 -1.25 -4.49 115.26 119.43 1big n ASN 25 Ca 0.00 -2.65 0.00 0.00 1.68 0.00 0.00 54.58 53.61 1big n ASN 25 Cb 0.10 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 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 0.32 3.15 0.00 7.41 0.00 -1.26 -3.93 105.19 110.87 1big n GLY 26 Ca -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1big n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1big n LYS 27 N -1.91 0.95 -4.30 1.61 5.02 0.38 -4.27 118.16 115.65 1big n LYS 27 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1big n LYS 27 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1big n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1big n MET 29 N 0.45 0.91 -3.45 0.00 0.00 0.27 -4.83 117.12 110.47 1big n MET 29 Ca -0.15 -3.69 -0.16 0.00 0.00 0.00 0.00 57.70 53.71 1big n MET 29 Cb 0.57 -1.86 -0.03 0.00 0.00 0.00 0.00 33.22 31.90 1big n MET 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1big n ASN 30 N 2.29 -0.16 0.00 7.83 5.15 -1.26 -1.23 115.26 127.88 1big n ASN 30 Ca 0.26 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1big n ASN 30 Cb 0.44 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 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 -1.63 2.38 3.65 8.20 0.00 -1.26 -5.05 105.19 111.48 1big n GLY 31 Ca -0.12 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 2.63 0.75 1.61 1.02 -0.36 -0.24 119.74 125.15 1big s LYS 32 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1big s LYS 32 Cb 0.00 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1big s LYS 32 CO 0.00 0.59 1.08 0.00 -0.92 0.00 0.00 175.35 176.11 1big s ARG 34 N -4.93 0.60 0.32 0.00 6.06 0.17 -2.85 118.95 118.31 1big s ARG 34 Ca 0.60 -0.63 0.10 0.00 -2.50 0.00 0.00 55.73 53.30 1big s ARG 34 Cb -0.16 -0.48 -0.06 0.00 0.06 0.00 0.00 34.95 34.31 1big s ARG 34 CO 0.56 0.11 -0.13 0.00 -2.50 0.00 0.00 175.30 173.33 1big s TYR 36 N -2.60 1.77 0.00 0.00 1.51 -1.26 -4.75 117.35 112.02 1big s TYR 36 Ca 0.31 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1big s TYR 36 Cb -0.00 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1big s TYR 36 CO 0.16 -0.14 0.00 0.45 -1.11 0.00 0.00 175.55 174.90