#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 0.06 -0.45 -2.13 -4.23 -1.17 -4.93 115.64 102.79 1big s THR 3 Ca 0.00 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1big s THR 3 Cb 0.00 -1.93 0.41 0.00 1.34 0.00 0.00 72.50 72.32 1big s THR 3 CO 0.00 -0.26 1.04 -0.67 -0.54 0.00 0.00 174.62 174.19 1big n ASP 4 N -0.23 4.06 -4.66 3.99 2.03 -1.26 -4.07 116.55 116.41 1big n ASP 4 Ca -0.06 -3.55 -0.34 0.00 0.52 0.00 0.00 54.79 51.36 1big n ASP 4 Cb 0.63 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1big s VAL 5 N -4.86 4.11 -0.47 5.18 1.01 -1.26 -4.94 120.40 119.16 1big s VAL 5 Ca 0.45 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1big s VAL 5 Cb 0.38 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1big s VAL 5 CO -0.14 0.55 1.75 -0.54 0.00 0.00 0.00 175.10 176.71 1big s LYS 6 N -1.03 3.07 0.42 2.72 3.01 -1.24 -2.14 119.74 124.55 1big s LYS 6 Ca 0.15 0.95 0.06 0.00 -1.01 0.00 0.00 55.97 56.12 1big s LYS 6 Cb -0.11 -4.25 -0.07 0.00 -1.01 0.00 0.00 37.83 32.39 1big s LYS 6 CO 0.04 -2.19 0.02 0.00 0.51 0.00 0.00 175.35 173.73 1big n THR 8 N -1.01 0.00 -4.27 0.00 5.66 -1.26 -3.73 114.28 109.66 1big n THR 8 Ca -0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 1big n THR 8 Cb 0.67 -0.36 -0.10 0.00 -1.55 0.00 0.00 70.33 68.99 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 -3.70 1.71 -0.02 1.09 0.00 -1.26 -4.92 107.32 100.21 1big s GLY 9 Ca 0.00 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.73 1big s GLY 9 CO 0.00 -1.51 0.86 1.76 0.00 0.00 0.00 173.10 174.21 1big h SER 10 N 2.43 -0.47 -1.40 1.64 0.02 -1.88 -3.31 113.55 110.58 1big h SER 10 Ca -0.36 -0.07 0.42 0.00 -0.84 0.00 0.00 61.79 60.94 1big h SER 10 Cb 1.25 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.82 1big h SER 10 CO 0.55 -0.04 0.96 0.11 -1.14 0.00 0.00 176.83 177.27 1big h LYS 11 N -1.06 0.09 -0.17 3.45 1.57 -1.97 0.31 116.57 118.78 1big h LYS 11 Ca -0.06 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1big h LYS 11 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1big h LYS 11 CO 0.09 0.06 -0.47 1.96 -0.57 0.00 0.00 179.45 180.52 1big h GLN 12 N 0.09 0.45 0.00 3.15 7.50 -1.88 -2.93 115.11 121.48 1big h GLN 12 Ca 0.75 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 59.65 1big h GLN 12 Cb 2.63 0.01 0.00 0.00 0.05 0.00 0.00 27.48 30.18 1big h GLN 12 CO -0.20 0.83 0.00 0.00 -1.50 0.00 0.00 178.83 177.95 1big h TRP 14 N 0.00 -0.69 -0.26 0.00 4.06 -1.42 0.19 115.95 117.83 1big h TRP 14 Ca 0.00 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1big h TRP 14 Cb 0.28 0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1big h TRP 14 CO 0.00 -0.43 0.07 -1.00 -3.56 0.00 0.00 178.44 173.53 1big h PRO 15 N -1.20 0.41 -0.71 0.49 0.13 -1.74 -1.21 132.00 128.16 1big h PRO 15 Ca -0.08 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 65.06 1big h PRO 15 Cb 0.58 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.57 1big h PRO 15 CO 0.13 0.49 0.34 0.28 -0.23 0.00 0.00 178.00 179.01 1big h VAL 16 N 0.25 0.82 -0.14 1.56 2.07 -1.62 0.36 116.25 119.55 1big h VAL 16 Ca 0.08 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1big h VAL 16 Cb 0.25 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1big h VAL 16 CO -0.00 0.11 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 1big h LYS 18 N -0.02 0.58 0.04 0.00 1.63 0.33 0.14 116.57 119.27 1big h LYS 18 Ca 0.02 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1big h LYS 18 Cb 0.68 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1big h LYS 18 CO 0.04 0.38 -0.02 1.96 -3.45 0.00 0.00 179.45 178.36 1big h GLN 19 N 0.60 -0.05 0.52 1.90 7.50 -0.71 -2.70 115.11 122.17 1big h GLN 19 Ca 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.76 1big h GLN 19 Cb 1.19 0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.74 1big h GLN 19 CO -0.45 0.44 -0.25 0.52 -1.50 0.00 0.00 178.83 177.59 1big h MET 20 N -0.56 -0.67 0.00 1.46 2.86 -0.03 -3.42 114.93 114.58 1big h MET 20 Ca -0.01 0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1big h MET 20 Cb 0.51 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1big h MET 20 CO 0.01 -0.37 -1.51 1.19 1.06 0.00 0.00 176.91 177.29 1big n PHE 21 N -5.28 0.00 0.00 -0.22 3.72 0.36 -5.06 117.46 110.99 1big n PHE 21 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1big n PHE 21 Cb 0.32 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 1.70 0.64 3.00 1.37 0.00 -0.81 -4.98 105.19 106.11 1big n GLY 22 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 2.10 -0.01 1.61 -0.14 -1.25 -4.86 119.74 117.20 1big s LYS 23 Ca 0.00 -0.49 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 1big s LYS 23 Cb 0.00 -1.94 0.08 0.00 -1.68 0.00 0.00 37.83 34.29 1big s LYS 23 CO 0.00 -0.21 0.99 -0.35 -0.76 0.00 0.00 175.35 175.02 1big n PRO 24 N 4.70 1.26 -3.71 -1.68 -0.04 -1.26 -0.75 135.00 133.51 1big n PRO 24 Ca -0.16 -0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 62.74 1big n PRO 24 Cb 0.50 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.18 2.80 0.00 3.54 3.02 -1.25 -4.50 115.26 118.70 1big n ASN 25 Ca 0.03 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1big n ASN 25 Cb 0.13 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1big n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1big n GLY 26 N 0.57 4.63 3.58 7.41 0.00 -1.26 -3.95 105.19 116.18 1big n GLY 26 Ca -0.11 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.82 1.91 0.27 1.61 -2.85 0.49 -4.21 119.74 113.14 1big s LYS 27 Ca 0.00 -2.12 0.10 0.00 -1.00 0.00 0.00 55.97 52.95 1big s LYS 27 Cb 0.00 -1.25 -0.05 0.00 -2.06 0.00 0.00 37.83 34.47 1big s LYS 27 CO 0.00 -0.21 -0.08 0.00 0.10 0.00 0.00 175.35 175.16 1big n MET 29 N -0.75 1.02 -3.62 0.00 2.81 0.22 -4.90 117.12 111.91 1big n MET 29 Ca -0.06 -3.78 -0.17 0.00 -1.81 0.00 0.00 57.70 51.87 1big n MET 29 Cb 0.59 -1.91 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1big n MET 29 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1big n ASN 30 N 2.24 -0.80 0.00 7.83 2.85 -1.26 -1.27 115.26 124.86 1big n ASN 30 Ca 0.25 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1big n ASN 30 Cb 0.43 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 40.78 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1big n GLY 31 N -1.54 2.79 3.57 8.20 0.00 -1.24 -5.04 105.19 111.93 1big n GLY 31 Ca -0.09 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 2.76 0.68 1.61 1.02 -0.39 -0.78 119.74 124.64 1big s LYS 32 Ca 0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 55.97 55.30 1big s LYS 32 Cb 0.00 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1big s LYS 32 CO 0.00 0.65 1.08 0.00 -0.92 0.00 0.00 175.35 176.16 1big s ARG 34 N -4.47 0.31 0.38 0.00 6.06 0.19 -3.02 118.95 118.40 1big s ARG 34 Ca 0.63 -0.43 0.08 0.00 -2.50 0.00 0.00 55.73 53.51 1big s ARG 34 Cb -0.17 -0.10 -0.07 0.00 0.06 0.00 0.00 34.95 34.66 1big s ARG 34 CO 0.47 0.01 -0.04 0.00 -2.50 0.00 0.00 175.30 173.24 1big n TYR 36 N -0.88 0.88 0.09 0.00 4.02 -1.26 -4.83 117.16 115.17 1big n TYR 36 Ca -0.05 -2.33 0.01 0.00 -0.01 0.00 0.00 57.90 55.53 1big n TYR 36 Cb 0.65 -0.33 0.01 0.00 -0.02 0.00 0.00 39.34 39.65 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28