#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 0.10 -0.47 4.37 -4.23 -0.95 -4.91 115.64 109.55 1big s THR 3 Ca 0.00 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1big s THR 3 Cb 0.00 -1.99 0.38 0.00 1.34 0.00 0.00 72.50 72.23 1big s THR 3 CO 0.00 -0.47 0.96 -0.67 -0.54 0.00 0.00 174.62 173.91 1big n ASP 4 N -0.10 3.57 -4.71 3.99 2.03 -1.26 -3.65 116.55 116.41 1big n ASP 4 Ca -0.06 -3.46 -0.31 0.00 0.52 0.00 0.00 54.79 51.48 1big n ASP 4 Cb 0.63 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 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 -4.29 4.19 -0.55 5.18 1.01 -1.26 -4.89 120.40 119.79 1big s VAL 5 Ca 0.44 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1big s VAL 5 Cb 0.35 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1big s VAL 5 CO -0.12 0.20 1.80 -0.54 0.00 0.00 0.00 175.10 176.44 1big s LYS 6 N -2.09 2.84 0.25 2.72 1.02 -1.24 -2.28 119.74 120.96 1big s LYS 6 Ca 0.25 0.76 0.10 0.00 0.02 0.00 0.00 55.97 57.10 1big s LYS 6 Cb -0.12 -4.32 -0.05 0.00 -0.52 0.00 0.00 37.83 32.83 1big s LYS 6 CO 0.17 -2.47 -0.11 0.00 -0.92 0.00 0.00 175.35 172.02 1big n THR 8 N -0.55 1.26 0.00 0.00 5.66 -1.26 -3.61 114.28 115.78 1big n THR 8 Ca -0.07 -3.18 0.00 0.00 -3.05 0.00 0.00 64.05 57.75 1big n THR 8 Cb 0.58 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.32 3.59 0.35 1.09 0.00 -1.26 -4.93 105.19 103.71 1big n GLY 9 Ca 0.12 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.41 1big n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1big h SER 10 N 0.00 -0.88 -1.85 1.61 0.02 -1.85 -2.38 113.55 108.22 1big h SER 10 Ca 0.00 0.29 0.55 0.00 -0.84 0.00 0.00 61.79 61.80 1big h SER 10 Cb 0.00 0.60 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 1big h SER 10 CO 0.00 -0.33 1.31 1.17 -1.14 0.00 0.00 176.83 177.84 1big n LYS 11 N -5.61 -0.01 -0.11 3.45 4.81 -1.26 -0.31 118.16 119.12 1big n LYS 11 Ca 0.16 1.11 -0.14 0.00 -0.87 0.00 0.00 58.31 58.57 1big n LYS 11 Cb 0.52 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 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 0.90 0.00 1.64 7.50 -1.79 -3.21 115.11 120.15 1big h GLN 12 Ca 0.92 -0.50 -0.07 0.00 0.50 0.00 0.00 58.65 59.51 1big h GLN 12 Cb 3.58 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 31.12 1big h GLN 12 CO -0.10 1.14 -0.33 0.00 -1.50 0.00 0.00 178.83 178.04 1big h TRP 14 N 0.00 -0.57 -0.30 0.00 4.06 -1.54 0.29 115.95 117.88 1big h TRP 14 Ca -0.00 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1big h TRP 14 Cb 0.79 0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1big h TRP 14 CO 0.00 -0.31 0.08 -1.00 -3.56 0.00 0.00 178.44 173.66 1big h PRO 15 N -0.50 0.48 -0.09 0.49 0.13 -1.73 0.12 132.00 130.91 1big h PRO 15 Ca -0.04 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1big h PRO 15 Cb 0.40 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1big h PRO 15 CO 0.03 0.55 0.04 0.28 -0.23 0.00 0.00 178.00 178.66 1big h VAL 16 N 0.33 1.11 -0.07 1.56 2.07 -1.58 -1.05 116.25 118.62 1big h VAL 16 Ca 0.10 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 1big h VAL 16 Cb 0.27 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1big h VAL 16 CO -0.00 0.10 -0.50 0.00 0.02 0.00 0.00 177.57 177.18 1big h LYS 18 N 0.14 0.10 -0.29 0.00 3.64 -0.67 0.38 116.57 119.88 1big h LYS 18 Ca 0.00 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1big h LYS 18 Cb 0.94 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1big h LYS 18 CO 0.07 0.14 -0.50 -0.56 -2.27 0.00 0.00 179.45 176.33 1big h GLN 19 N 0.03 0.80 0.34 1.90 3.07 -1.08 -2.67 115.11 117.50 1big h GLN 19 Ca 0.02 -0.48 -0.02 0.00 0.09 0.00 0.00 58.65 58.27 1big h GLN 19 Cb 0.07 0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1big h GLN 19 CO -0.00 1.11 -0.16 0.52 0.09 0.00 0.00 178.83 180.39 1big h MET 20 N 0.63 -0.43 0.00 0.06 2.86 -1.07 -3.43 114.93 113.55 1big h MET 20 Ca 0.03 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1big h MET 20 Cb 1.09 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1big h MET 20 CO 0.11 -0.11 -0.92 1.19 1.06 0.00 0.00 176.91 178.23 1big n PHE 21 N -5.10 0.00 0.00 -0.22 3.01 -0.05 -5.05 117.46 110.04 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 0.27 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 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 2.07 1.02 2.80 1.37 0.00 -0.17 -4.99 105.19 107.28 1big n GLY 22 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 1.65 0.00 1.61 4.01 -1.19 -4.91 118.16 119.34 1big n LYS 23 Ca 0.00 -4.32 0.00 0.00 -0.51 0.00 0.00 58.31 53.48 1big n LYS 23 Cb 0.00 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 32.32 1big n LYS 23 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1big n PRO 24 N 2.00 0.32 -3.87 1.97 -0.04 -1.26 -4.05 135.00 130.07 1big n PRO 24 Ca 0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 1big n PRO 24 Cb 0.37 -1.02 -0.16 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.58 3.57 0.27 3.54 4.22 -1.26 -4.28 114.94 119.42 1big s ASN 25 Ca 0.00 -1.08 0.01 0.00 -2.14 0.00 0.00 52.86 49.64 1big s ASN 25 Cb 0.00 -1.00 -0.03 0.00 1.28 0.00 0.00 41.25 41.51 1big s ASN 25 CO 0.00 -0.26 0.26 -0.83 -2.04 0.00 0.00 177.10 174.23 1big s GLY 26 N 1.54 1.69 0.30 0.45 0.00 -1.26 -1.78 107.32 108.26 1big s GLY 26 Ca -0.04 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 42.96 1big s GLY 26 CO -0.07 -1.31 0.10 -1.59 0.00 0.00 0.00 173.10 170.24 1big s LYS 27 N -3.75 1.55 0.26 2.90 -2.85 0.37 -4.60 119.74 113.63 1big s LYS 27 Ca 0.37 -1.87 0.08 0.00 -1.00 0.00 0.00 55.97 53.56 1big s LYS 27 Cb 0.04 -0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 1big s LYS 27 CO 0.18 -0.32 0.11 0.00 0.10 0.00 0.00 175.35 175.42 1big n MET 29 N -1.05 0.98 -3.73 0.00 0.00 0.25 -4.88 117.12 108.69 1big n MET 29 Ca -0.07 -3.69 -0.22 0.00 0.00 0.00 0.00 57.70 53.72 1big n MET 29 Cb 0.58 -1.81 -0.02 0.00 0.00 0.00 0.00 33.22 31.98 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 2.11 -0.95 0.00 7.83 2.85 -1.26 -1.31 115.26 124.52 1big n ASN 30 Ca 0.26 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 1big n ASN 30 Cb 0.45 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.61 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 -1.71 2.06 3.51 8.20 0.00 -1.24 -5.04 105.19 110.98 1big n GLY 31 Ca -0.12 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 0.70 1.61 1.02 -0.43 -0.82 119.74 124.67 1big s LYS 32 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 1big s LYS 32 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1big s LYS 32 CO 0.00 0.55 1.08 0.00 -0.92 0.00 0.00 175.35 176.05 1big s ARG 34 N -4.68 0.35 0.28 0.00 6.06 0.14 -2.25 118.95 118.85 1big s ARG 34 Ca 0.61 -0.60 0.08 0.00 -2.50 0.00 0.00 55.73 53.32 1big s ARG 34 Cb -0.16 -0.00 -0.06 0.00 0.06 0.00 0.00 34.95 34.78 1big s ARG 34 CO 0.50 -0.02 -0.10 0.00 -2.50 0.00 0.00 175.30 173.19 1big s TYR 36 N -2.86 2.61 0.00 0.00 2.02 -0.73 -4.72 117.35 113.67 1big s TYR 36 Ca 0.29 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1big s TYR 36 Cb 0.02 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1big s TYR 36 CO 0.12 0.14 0.00 0.43 -1.57 0.00 0.00 175.55 174.67