#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 0.67 -0.44 1.97 -4.23 -0.69 -4.93 115.64 107.99 1big s THR 3 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1big s THR 3 Cb 0.00 -2.61 0.41 0.00 1.34 0.00 0.00 72.50 71.64 1big s THR 3 CO 0.00 0.00 1.06 -0.67 -0.54 0.00 0.00 174.62 174.47 1big n ASP 4 N -0.72 4.18 -4.39 3.99 -0.08 -1.26 -3.79 116.55 114.48 1big n ASP 4 Ca -0.01 -3.57 -0.33 0.00 -1.51 0.00 0.00 54.79 49.36 1big n ASP 4 Cb 0.66 -0.49 -0.14 0.00 2.34 0.00 0.00 41.12 43.50 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1big s VAL 5 N -5.02 3.28 -0.87 5.18 1.01 -1.26 -4.86 120.40 117.86 1big s VAL 5 Ca 0.45 -0.57 -0.34 0.00 0.00 0.00 0.00 61.98 61.52 1big s VAL 5 Cb 0.39 -2.41 -0.21 0.00 0.00 0.00 0.00 36.38 34.15 1big s VAL 5 CO -0.15 0.51 2.53 2.29 0.00 0.00 0.00 175.10 180.28 1big n LYS 6 N 3.68 0.00 -4.51 2.72 2.85 -1.20 -1.09 118.16 120.61 1big n LYS 6 Ca -0.18 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.84 1big n LYS 6 Cb 0.52 -1.48 -0.11 0.00 -0.65 0.00 0.00 35.03 33.32 1big n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1big n THR 8 N -0.78 0.00 -3.79 0.00 5.66 -1.26 -3.56 114.28 110.55 1big n THR 8 Ca -0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.87 1big n THR 8 Cb 0.67 -0.74 -0.04 0.00 -1.55 0.00 0.00 70.33 68.67 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 -4.23 0.03 0.16 1.09 0.00 -1.26 -4.84 107.32 98.27 1big s GLY 9 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1big s GLY 9 CO 0.00 -0.37 1.54 0.23 0.00 0.00 0.00 173.10 174.50 1big h SER 10 N 2.26 -2.08 -0.94 1.64 0.87 -1.87 -1.38 113.55 112.05 1big h SER 10 Ca -0.29 0.32 0.29 0.00 -1.23 0.00 0.00 61.79 60.88 1big h SER 10 Cb 1.26 0.92 -0.16 0.00 -0.44 0.00 0.00 62.40 63.98 1big h SER 10 CO 0.39 -0.25 0.30 0.07 -0.53 0.00 0.00 176.83 176.81 1big h LYS 11 N -0.04 0.15 -0.14 2.24 2.10 -1.94 0.19 116.57 119.13 1big h LYS 11 Ca 0.17 -0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.67 1big h LYS 11 Cb 0.44 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1big h LYS 11 CO -0.91 0.10 -0.51 0.37 -2.00 0.00 0.00 179.45 176.51 1big h GLN 12 N 0.16 0.38 0.00 0.07 4.15 -1.67 -2.97 115.11 115.22 1big h GLN 12 Ca 0.64 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.84 1big h GLN 12 Cb 1.42 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.13 1big h GLN 12 CO -0.72 0.80 0.00 0.00 -1.93 0.00 0.00 178.83 176.98 1big h TRP 14 N 0.00 -0.64 -0.56 0.00 4.06 -1.20 -0.13 115.95 117.48 1big h TRP 14 Ca 0.00 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1big h TRP 14 Cb 0.48 0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.83 1big h TRP 14 CO 0.00 -0.33 0.24 -1.00 -3.56 0.00 0.00 178.44 173.78 1big h PRO 15 N -1.08 0.84 -0.64 0.49 0.13 -1.72 -0.58 132.00 129.45 1big h PRO 15 Ca -0.07 -0.15 0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1big h PRO 15 Cb 0.60 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 31.52 1big h PRO 15 CO 0.12 0.71 0.28 0.28 -0.23 0.00 0.00 178.00 179.16 1big h VAL 16 N 0.77 0.82 -0.36 1.56 2.07 -1.57 0.02 116.25 119.57 1big h VAL 16 Ca 0.19 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.37 1big h VAL 16 Cb 0.18 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1big h VAL 16 CO -0.02 0.09 -0.43 0.00 0.02 0.00 0.00 177.57 177.24 1big h LYS 18 N 0.73 0.46 0.34 0.00 3.64 0.17 0.12 116.57 122.03 1big h LYS 18 Ca 0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1big h LYS 18 Cb 1.02 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1big h LYS 18 CO 0.10 0.30 -0.16 0.37 -2.27 0.00 0.00 179.45 177.79 1big h GLN 19 N 0.47 -0.44 -0.17 1.90 -0.00 -0.84 -2.19 115.11 113.85 1big h GLN 19 Ca 0.43 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 59.15 1big h GLN 19 Cb 0.66 0.10 -0.04 0.00 0.00 0.00 0.00 27.48 28.20 1big h GLN 19 CO -0.40 -0.14 -0.10 1.98 0.00 0.00 0.00 178.83 180.16 1big h MET 20 N -0.99 -0.09 0.00 1.69 4.05 -0.93 -3.40 114.93 115.25 1big h MET 20 Ca -0.05 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1big h MET 20 Cb 0.50 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1big h MET 20 CO 0.08 -0.06 -0.28 1.19 0.23 0.00 0.00 176.91 178.07 1big n PHE 21 N -5.25 0.00 0.00 1.39 3.72 0.31 -5.07 117.46 112.56 1big n PHE 21 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1big n PHE 21 Cb 0.17 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 2.70 0.86 2.67 1.37 0.00 -0.57 -4.98 105.19 107.23 1big n GLY 22 Ca -0.04 0.00 -0.29 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 1.36 0.00 1.61 1.02 -1.24 -4.92 119.74 117.57 1big s LYS 23 Ca 0.00 -2.19 0.08 0.00 0.02 0.00 0.00 55.97 53.88 1big s LYS 23 Cb 0.00 -2.28 0.44 0.00 -0.52 0.00 0.00 37.83 35.47 1big s LYS 23 CO 0.00 -1.22 1.02 -0.35 -0.92 0.00 0.00 175.35 173.88 1big n PRO 24 N 3.21 0.19 -2.70 -1.68 -0.04 -1.26 -3.87 135.00 128.85 1big n PRO 24 Ca 0.14 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1big n PRO 24 Cb 0.37 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.13 1.80 0.00 3.54 3.02 -1.26 -4.14 115.26 117.09 1big n ASN 25 Ca 0.05 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 1big n ASN 25 Cb 0.04 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.20 0.81 3.39 7.41 0.00 -1.26 -3.89 105.19 111.84 1big n GLY 26 Ca 0.06 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1big n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 27 N -1.43 1.86 0.23 1.61 1.02 0.17 -4.72 119.74 118.47 1big s LYS 27 Ca 0.00 -2.11 0.11 0.00 0.02 0.00 0.00 55.97 53.99 1big s LYS 27 Cb 0.00 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.18 1big s LYS 27 CO 0.00 -0.59 -0.20 0.00 -0.92 0.00 0.00 175.35 173.64 1big n MET 29 N -0.18 0.97 -3.59 0.00 0.00 0.30 -4.84 117.12 109.78 1big n MET 29 Ca -0.09 -3.56 -0.16 0.00 0.00 0.00 0.00 57.70 53.89 1big n MET 29 Cb 0.58 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 32.19 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 1.74 -0.72 0.00 7.83 5.15 -1.26 -1.29 115.26 126.71 1big n ASN 30 Ca 0.25 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1big n ASN 30 Cb 0.48 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 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 -1.53 3.20 3.51 8.20 0.00 -1.23 -5.03 105.19 112.31 1big n GLY 31 Ca -0.09 -0.74 -0.33 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 2.85 0.73 1.61 1.02 -0.42 -0.71 119.74 124.82 1big s LYS 32 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 1big s LYS 32 Cb 0.00 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1big s LYS 32 CO 0.00 0.55 1.08 0.00 -0.92 0.00 0.00 175.35 176.06 1big s ARG 34 N -4.90 0.51 0.28 0.00 6.06 0.24 -1.70 118.95 119.44 1big s ARG 34 Ca 0.60 -0.62 0.09 0.00 -2.50 0.00 0.00 55.73 53.31 1big s ARG 34 Cb -0.16 -0.34 -0.06 0.00 0.06 0.00 0.00 34.95 34.46 1big s ARG 34 CO 0.54 0.07 -0.13 0.00 -2.50 0.00 0.00 175.30 173.28 1big n TYR 36 N -0.62 0.38 0.00 0.00 4.01 -1.25 -4.66 117.16 115.02 1big n TYR 36 Ca -0.06 -2.28 0.00 0.00 -0.16 0.00 0.00 57.90 55.41 1big n TYR 36 Cb 0.62 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1big n TYR 36 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27