#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 0.87 -0.60 -2.13 -4.23 -1.01 -4.96 115.64 103.58 1big s THR 3 Ca 0.00 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1big s THR 3 Cb 0.00 -2.12 0.45 0.00 1.34 0.00 0.00 72.50 72.17 1big s THR 3 CO 0.00 -0.50 1.87 -0.90 -0.54 0.00 0.00 174.62 174.55 1big n ASP 4 N -0.28 7.14 -4.30 3.99 5.68 -1.26 -4.29 116.55 123.23 1big n ASP 4 Ca -0.07 -3.78 -0.29 0.00 -0.50 0.00 0.00 54.79 50.14 1big n ASP 4 Cb 0.63 -0.86 -0.15 0.00 -1.14 0.00 0.00 41.12 39.60 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 -4.81 1.96 0.45 2.12 1.01 -1.26 -5.06 120.40 114.81 1big s VAL 5 Ca 0.62 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1big s VAL 5 Cb 0.49 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 1big s VAL 5 CO -0.02 0.41 1.14 -0.54 0.00 0.00 0.00 175.10 176.10 1big s LYS 6 N -0.94 3.82 0.26 2.72 1.02 -1.26 -2.94 119.74 122.41 1big s LYS 6 Ca 0.10 1.72 0.03 0.00 0.02 0.00 0.00 55.97 57.84 1big s LYS 6 Cb -0.09 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1big s LYS 6 CO 0.01 -0.49 0.20 0.00 -0.92 0.00 0.00 175.35 174.15 1big n THR 8 N -0.43 0.00 -3.92 0.00 -2.24 -1.26 -4.35 114.28 102.08 1big n THR 8 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1big n THR 8 Cb 0.64 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1big s GLY 9 N -4.58 0.42 0.17 3.38 0.00 -1.26 -4.91 107.32 100.54 1big s GLY 9 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.67 1big s GLY 9 CO 0.00 -0.43 1.54 0.23 0.00 0.00 0.00 173.10 174.44 1big h SER 10 N 2.09 -2.09 -0.97 1.64 0.87 -1.86 -0.40 113.55 112.83 1big h SER 10 Ca -0.26 0.33 0.33 0.00 -1.23 0.00 0.00 61.79 60.96 1big h SER 10 Cb 1.25 0.94 -0.17 0.00 -0.44 0.00 0.00 62.40 63.98 1big h SER 10 CO 0.33 -0.24 0.38 0.11 -0.53 0.00 0.00 176.83 176.88 1big h LYS 11 N -0.00 0.12 -0.28 2.24 1.57 -1.95 0.30 116.57 118.57 1big h LYS 11 Ca 0.18 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1big h LYS 11 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1big h LYS 11 CO -0.94 0.08 -0.46 0.37 -0.57 0.00 0.00 179.45 177.92 1big h GLN 12 N 0.12 0.73 0.00 3.15 -0.00 -1.48 -3.12 115.11 114.51 1big h GLN 12 Ca 0.71 -0.42 -0.04 0.00 -0.00 0.00 0.00 58.65 58.90 1big h GLN 12 Cb 1.66 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 29.17 1big h GLN 12 CO -0.74 1.04 -0.19 0.00 0.00 0.00 0.00 178.83 178.94 1big h TRP 14 N 0.00 -1.25 -0.61 0.00 4.06 -1.20 0.12 115.95 117.06 1big h TRP 14 Ca -0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1big h TRP 14 Cb 0.72 0.44 -0.03 0.00 -1.00 0.00 0.00 29.16 29.30 1big h TRP 14 CO 0.00 -0.70 0.29 -1.00 -3.56 0.00 0.00 178.44 173.47 1big h PRO 15 N -1.16 0.88 -0.71 0.49 0.13 -1.72 -1.14 132.00 128.78 1big h PRO 15 Ca -0.10 -0.13 0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1big h PRO 15 Cb 0.92 -0.16 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 1big h PRO 15 CO 0.11 0.71 0.31 0.28 -0.23 0.00 0.00 178.00 179.18 1big h VAL 16 N 0.84 0.75 -0.19 1.56 2.07 -1.43 0.41 116.25 120.27 1big h VAL 16 Ca 0.21 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1big h VAL 16 Cb 0.12 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1big h VAL 16 CO -0.03 0.09 -0.22 0.00 0.02 0.00 0.00 177.57 177.43 1big h LYS 18 N 0.15 0.38 -0.07 0.00 3.64 -0.10 0.10 116.57 120.68 1big h LYS 18 Ca 0.03 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1big h LYS 18 Cb 0.78 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1big h LYS 18 CO 0.05 0.25 -0.11 1.96 -2.27 0.00 0.00 179.45 179.34 1big h GLN 19 N 0.39 0.19 0.72 1.90 4.20 -0.78 -2.90 115.11 118.83 1big h GLN 19 Ca 0.52 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 59.08 1big h GLN 19 Cb 0.96 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.76 1big h GLN 19 CO -0.51 0.68 -0.35 0.52 -0.67 0.00 0.00 178.83 178.50 1big h MET 20 N -0.28 -0.93 0.00 1.46 2.86 -0.10 -3.43 114.93 114.52 1big h MET 20 Ca 0.01 0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1big h MET 20 Cb 0.66 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1big h MET 20 CO 0.02 -0.62 -1.10 1.19 1.06 0.00 0.00 176.91 177.46 1big n PHE 21 N -5.36 0.00 0.00 -0.22 3.72 0.25 -5.06 117.46 110.79 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 0.38 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 2.15 1.05 2.91 1.37 0.00 -0.56 -4.98 105.19 107.12 1big n GLY 22 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 2.07 0.00 1.61 3.01 -1.25 -4.87 119.74 120.31 1big s LYS 23 Ca 0.00 -2.81 0.05 0.00 -1.01 0.00 0.00 55.97 52.20 1big s LYS 23 Cb 0.00 -3.25 0.29 0.00 -1.01 0.00 0.00 37.83 33.86 1big s LYS 23 CO 0.00 -1.17 0.68 -0.35 0.51 0.00 0.00 175.35 175.01 1big n PRO 24 N 2.76 0.22 -3.43 -1.68 -0.04 -1.26 -3.82 135.00 127.75 1big n PRO 24 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1big n PRO 24 Cb 0.33 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.84 2.48 0.00 3.54 3.02 -1.26 -4.13 115.26 118.08 1big n ASN 25 Ca 0.04 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1big n ASN 25 Cb 0.02 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.08 0.69 3.38 7.41 0.00 -1.26 -4.02 105.19 111.31 1big n GLY 26 Ca -0.04 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.77 1.56 0.20 1.61 1.02 0.08 -4.74 119.74 117.71 1big s LYS 27 Ca 0.00 -1.88 0.08 0.00 0.02 0.00 0.00 55.97 54.19 1big s LYS 27 Cb 0.00 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1big s LYS 27 CO 0.00 -0.32 0.00 0.00 -0.92 0.00 0.00 175.35 174.12 1big s MET 29 N -3.15 1.21 -0.56 0.00 1.00 0.32 -4.86 119.30 113.26 1big s MET 29 Ca 0.28 -2.20 -0.06 0.00 0.00 0.00 0.00 55.69 53.72 1big s MET 29 Cb -0.09 -1.95 0.01 0.00 0.00 0.00 0.00 34.83 32.80 1big s MET 29 CO 0.19 -1.30 0.11 -1.71 0.00 0.00 0.00 175.02 172.32 1big n ASN 30 N 3.00 -0.46 0.00 3.03 2.85 -1.26 -1.17 115.26 121.25 1big n ASN 30 Ca 0.21 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1big n ASN 30 Cb 0.41 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.80 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 3.61 3.46 8.20 0.00 -1.26 -5.06 105.19 112.61 1big n GLY 31 Ca -0.09 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 1.88 0.64 1.61 -0.14 -0.32 0.35 119.74 123.76 1big s LYS 32 Ca 0.00 -1.10 -0.15 0.00 -1.36 0.00 0.00 55.97 53.36 1big s LYS 32 Cb 0.00 -2.13 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1big s LYS 32 CO 0.00 0.50 1.09 0.00 -0.76 0.00 0.00 175.35 176.18 1big s ARG 34 N -4.19 0.95 0.33 0.00 6.06 0.20 -2.41 118.95 119.90 1big s ARG 34 Ca 0.65 -0.69 0.09 0.00 -2.50 0.00 0.00 55.73 53.28 1big s ARG 34 Cb -0.18 -0.95 -0.05 0.00 0.06 0.00 0.00 34.95 33.83 1big s ARG 34 CO 0.41 0.24 0.02 0.00 -2.50 0.00 0.00 175.30 173.47 1big n TYR 36 N -0.95 -0.02 0.08 0.00 4.01 -1.26 -4.76 117.16 114.26 1big n TYR 36 Ca -0.04 -2.32 0.01 0.00 -0.16 0.00 0.00 57.90 55.38 1big n TYR 36 Cb 0.62 -0.40 0.01 0.00 -0.31 0.00 0.00 39.34 39.25 1big n TYR 36 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27