#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 0.25 -0.17 4.37 -4.23 -1.11 -4.93 115.64 109.81 1big s THR 3 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1big s THR 3 Cb 0.00 -2.52 0.45 0.00 1.34 0.00 0.00 72.50 71.77 1big s THR 3 CO 0.00 0.00 1.17 -0.67 -0.54 0.00 0.00 174.62 174.58 1big n ASP 4 N -0.79 2.00 -4.63 3.99 2.03 -1.26 -4.61 116.55 113.28 1big n ASP 4 Ca 0.02 -2.75 -0.29 0.00 0.52 0.00 0.00 54.79 52.28 1big n ASP 4 Cb 0.65 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.54 3.66 0.04 5.18 0.11 -1.26 -5.04 120.40 120.55 1big s VAL 5 Ca 0.36 -1.20 -0.31 0.00 -2.93 0.00 0.00 61.98 57.90 1big s VAL 5 Cb 0.37 -2.75 -0.06 0.00 -1.53 0.00 0.00 36.38 32.41 1big s VAL 5 CO -0.08 0.07 1.35 -1.59 -3.33 0.00 0.00 175.10 171.52 1big s LYS 6 N -2.39 4.32 0.10 1.54 -2.85 -1.25 -3.40 119.74 115.82 1big s LYS 6 Ca 0.24 1.95 0.02 0.00 -1.00 0.00 0.00 55.97 57.18 1big s LYS 6 Cb -0.11 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 32.18 1big s LYS 6 CO 0.16 -0.47 -0.07 0.00 0.10 0.00 0.00 175.35 175.07 1big n THR 8 N 0.02 0.62 0.00 0.00 5.66 -1.26 -3.67 114.28 115.65 1big n THR 8 Ca -0.12 -2.39 0.00 0.00 -3.05 0.00 0.00 64.05 58.49 1big n THR 8 Cb 0.60 0.85 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 1big n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1big n GLY 9 N -0.37 4.19 0.42 1.09 0.00 -1.26 -4.97 105.19 104.29 1big n GLY 9 Ca 0.03 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.21 -0.99 1.61 4.64 -1.87 -3.13 113.55 112.61 1big h SER 10 Ca 0.00 0.12 0.38 0.00 -0.47 0.00 0.00 61.79 61.82 1big h SER 10 Cb 0.00 0.44 -0.18 0.00 -0.31 0.00 0.00 62.40 62.35 1big h SER 10 CO 0.00 -0.52 0.39 1.17 -0.87 0.00 0.00 176.83 177.01 1big n LYS 11 N -5.48 -0.06 -0.06 4.77 4.81 -1.26 0.46 118.16 121.34 1big n LYS 11 Ca -0.08 1.40 -0.12 0.00 -0.87 0.00 0.00 58.31 58.63 1big n LYS 11 Cb 0.39 -2.42 0.01 0.00 0.02 0.00 0.00 35.03 33.03 1big n LYS 11 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1big h GLN 12 N 0.00 0.76 0.00 1.64 4.20 -1.92 -3.06 115.11 116.74 1big h GLN 12 Ca 0.77 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1big h GLN 12 Cb 1.95 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1big h GLN 12 CO -0.81 1.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.43 1big h TRP 14 N 0.00 -0.88 -0.50 0.00 4.06 -1.19 -0.22 115.95 117.23 1big h TRP 14 Ca 0.00 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 1big h TRP 14 Cb 0.55 0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.98 1big h TRP 14 CO 0.00 -0.55 0.10 -1.00 -3.56 0.00 0.00 178.44 173.43 1big h PRO 15 N -1.13 0.80 -0.51 0.49 0.13 -1.72 -0.91 132.00 129.16 1big h PRO 15 Ca -0.10 -0.20 0.05 0.00 -0.87 0.00 0.00 66.00 64.88 1big h PRO 15 Cb 0.73 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1big h PRO 15 CO 0.16 0.79 0.24 0.28 -0.23 0.00 0.00 178.00 179.24 1big h VAL 16 N 0.69 0.93 -0.26 1.56 2.07 -1.60 -0.01 116.25 119.63 1big h VAL 16 Ca 0.15 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1big h VAL 16 Cb 0.36 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1big h VAL 16 CO 0.00 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 1big h LYS 18 N 0.25 0.45 -0.03 0.00 3.64 -0.58 0.44 116.57 120.75 1big h LYS 18 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1big h LYS 18 Cb 0.57 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1big h LYS 18 CO 0.03 0.30 -0.03 0.37 -2.27 0.00 0.00 179.45 177.84 1big h GLN 19 N 0.46 0.07 0.53 1.90 4.15 -0.77 -2.32 115.11 119.13 1big h GLN 19 Ca 0.53 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.89 1big h GLN 19 Cb 0.93 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1big h GLN 19 CO -0.48 0.57 -0.41 1.98 -1.93 0.00 0.00 178.83 178.57 1big h MET 20 N -0.43 -0.89 0.00 1.69 4.05 -0.12 -3.42 114.93 115.82 1big h MET 20 Ca 0.00 0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1big h MET 20 Cb 0.56 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1big h MET 20 CO 0.01 -0.59 -0.31 1.19 0.23 0.00 0.00 176.91 177.44 1big n PHE 21 N -5.52 0.00 0.00 1.39 3.72 0.05 -5.08 117.46 112.02 1big n PHE 21 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1big n PHE 21 Cb 0.41 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 3.11 0.65 2.42 1.37 0.00 -0.87 -4.97 105.19 106.90 1big n GLY 22 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1big n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1big n LYS 23 N 0.00 1.76 0.00 1.61 4.76 -1.25 -4.90 118.16 120.13 1big n LYS 23 Ca 0.00 -4.14 0.01 0.00 -2.87 0.00 0.00 58.31 51.31 1big n LYS 23 Cb 0.00 -1.93 0.04 0.00 -1.84 0.00 0.00 35.03 31.30 1big n LYS 23 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1big n PRO 24 N 1.31 0.03 -3.88 1.97 -0.04 -1.26 -4.12 135.00 129.01 1big n PRO 24 Ca 0.26 0.17 -0.35 0.00 -0.04 0.00 0.00 63.50 63.54 1big n PRO 24 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 1big n PRO 24 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1big s ASN 25 N -2.35 4.96 0.25 3.54 4.22 -1.26 -4.35 114.94 119.95 1big s ASN 25 Ca 0.02 -1.41 -0.00 0.00 -2.14 0.00 0.00 52.86 49.32 1big s ASN 25 Cb 0.01 -1.73 -0.03 0.00 1.28 0.00 0.00 41.25 40.77 1big s ASN 25 CO 0.02 -0.31 0.23 -0.83 -2.04 0.00 0.00 177.10 174.17 1big s GLY 26 N 1.34 1.55 0.28 0.45 0.00 -1.26 -1.80 107.32 107.88 1big s GLY 26 Ca -0.02 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.04 1big s GLY 26 CO -0.02 -1.30 0.07 -1.59 0.00 0.00 0.00 173.10 170.26 1big s LYS 27 N -3.90 1.49 0.25 2.90 -2.85 0.36 -4.54 119.74 113.45 1big s LYS 27 Ca 0.37 -1.81 0.07 0.00 -1.00 0.00 0.00 55.97 53.60 1big s LYS 27 Cb 0.05 -0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 35.23 1big s LYS 27 CO 0.16 -0.22 0.20 0.00 0.10 0.00 0.00 175.35 175.58 1big s MET 29 N -3.80 1.37 -0.34 0.00 1.00 0.23 -4.88 119.30 112.89 1big s MET 29 Ca 0.33 -2.46 -0.05 0.00 0.00 0.00 0.00 55.69 53.51 1big s MET 29 Cb -0.08 -2.04 0.01 0.00 0.00 0.00 0.00 34.83 32.72 1big s MET 29 CO 0.25 -1.35 0.10 -1.71 0.00 0.00 0.00 175.02 172.31 1big n ASN 30 N 2.63 -0.49 0.00 3.03 2.85 -1.26 -1.19 115.26 120.83 1big n ASN 30 Ca 0.26 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1big n ASN 30 Cb 0.43 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.06 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 -1.30 4.03 3.39 8.20 0.00 -1.24 -5.04 105.19 113.24 1big n GLY 31 Ca -0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 1.96 0.70 1.61 1.02 -0.33 -0.12 119.74 124.57 1big s LYS 32 Ca 0.00 -1.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.83 1big s LYS 32 Cb 0.00 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1big s LYS 32 CO 0.00 0.53 1.08 0.00 -0.92 0.00 0.00 175.35 176.04 1big s ARG 34 N -4.62 0.41 0.33 0.00 6.06 0.19 -2.77 118.95 118.55 1big s ARG 34 Ca 0.62 -0.42 0.10 0.00 -2.50 0.00 0.00 55.73 53.52 1big s ARG 34 Cb -0.17 -0.27 -0.06 0.00 0.06 0.00 0.00 34.95 34.51 1big s ARG 34 CO 0.49 0.06 -0.08 0.00 -2.50 0.00 0.00 175.30 173.28 1big s TYR 36 N -2.55 2.62 0.00 0.00 2.02 -0.75 -4.83 117.35 113.86 1big s TYR 36 Ca 0.33 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1big s TYR 36 Cb -0.00 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1big s TYR 36 CO 0.17 0.21 0.00 0.45 -1.57 0.00 0.00 175.55 174.81