#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 0.68 -0.19 4.37 -4.23 -1.08 -4.96 115.64 110.24 1big s THR 3 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1big s THR 3 Cb 0.00 -2.54 0.44 0.00 1.34 0.00 0.00 72.50 71.73 1big s THR 3 CO 0.00 0.00 1.20 -0.67 -0.54 0.00 0.00 174.62 174.61 1big n ASP 4 N -0.95 2.15 -4.50 3.99 -0.08 -1.26 -4.58 116.55 111.33 1big n ASP 4 Ca -0.03 -3.38 -0.33 0.00 -1.51 0.00 0.00 54.79 49.54 1big n ASP 4 Cb 0.66 -0.45 -0.12 0.00 2.34 0.00 0.00 41.12 43.55 1big n ASP 4 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1big s VAL 5 N -2.89 3.54 0.32 5.18 0.11 -1.26 -5.05 120.40 120.36 1big s VAL 5 Ca 0.39 -0.51 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 1big s VAL 5 Cb 0.38 -2.48 -0.10 0.00 -1.53 0.00 0.00 36.38 32.65 1big s VAL 5 CO -0.07 0.55 1.20 -0.54 -3.33 0.00 0.00 175.10 172.91 1big s LYS 6 N -0.22 4.43 0.25 1.54 1.02 -1.26 -2.96 119.74 122.54 1big s LYS 6 Ca 0.02 1.98 0.01 0.00 0.02 0.00 0.00 55.97 58.00 1big s LYS 6 Cb -0.13 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1big s LYS 6 CO 0.03 -0.04 0.11 0.00 -0.92 0.00 0.00 175.35 174.53 1big n THR 8 N -0.42 0.00 -4.37 0.00 -1.04 -1.26 -4.62 114.28 102.57 1big n THR 8 Ca 0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.83 1big n THR 8 Cb 0.66 -0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 68.59 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1big s GLY 9 N -3.97 1.98 -0.02 3.41 0.00 -1.26 -5.01 107.32 102.45 1big s GLY 9 Ca 0.00 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 42.71 1big s GLY 9 CO 0.00 -1.66 0.89 1.48 0.00 0.00 0.00 173.10 173.81 1big h SER 10 N 2.22 -0.44 -1.71 1.64 4.64 -1.90 -3.33 113.55 114.67 1big h SER 10 Ca -0.37 -0.10 0.53 0.00 -0.47 0.00 0.00 61.79 61.38 1big h SER 10 Cb 1.25 0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 63.35 1big h SER 10 CO 0.59 -0.00 1.18 0.29 -0.87 0.00 0.00 176.83 178.02 1big n LYS 11 N -5.14 -0.02 -0.01 4.77 5.02 -1.26 0.11 118.16 121.63 1big n LYS 11 Ca -0.08 1.16 -0.10 0.00 -2.02 0.00 0.00 58.31 57.27 1big n LYS 11 Cb 0.26 -2.49 0.05 0.00 -0.02 0.00 0.00 35.03 32.84 1big n LYS 11 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1big h GLN 12 N 0.00 0.60 0.00 1.97 -0.00 -1.88 -2.97 115.11 112.83 1big h GLN 12 Ca 0.92 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 59.20 1big h GLN 12 Cb 3.36 0.03 0.00 0.00 0.00 0.00 0.00 27.48 30.87 1big h GLN 12 CO -0.22 0.97 0.00 0.00 0.00 0.00 0.00 178.83 179.58 1big h TRP 14 N 0.00 -0.57 -0.78 0.00 4.06 -1.46 -0.48 115.95 116.71 1big h TRP 14 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 1big h TRP 14 Cb 0.34 0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.66 1big h TRP 14 CO 0.00 -0.36 0.33 -1.00 -3.56 0.00 0.00 178.44 173.85 1big h PRO 15 N -1.06 1.16 -0.08 0.49 0.13 -1.72 -0.21 132.00 130.71 1big h PRO 15 Ca -0.06 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1big h PRO 15 Cb 0.47 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1big h PRO 15 CO 0.10 0.93 0.00 0.28 -0.23 0.00 0.00 178.00 179.09 1big h VAL 16 N 1.13 0.95 -0.20 1.56 2.07 -1.61 0.16 116.25 120.30 1big h VAL 16 Ca 0.26 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.65 1big h VAL 16 Cb 0.19 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1big h VAL 16 CO -0.02 0.01 -0.38 0.00 0.02 0.00 0.00 177.57 177.19 1big h LYS 18 N 0.38 1.09 0.11 0.00 3.64 -0.50 0.32 116.57 121.62 1big h LYS 18 Ca 0.04 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1big h LYS 18 Cb 0.84 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1big h LYS 18 CO 0.07 0.83 -0.06 1.96 -2.27 0.00 0.00 179.45 179.99 1big h GLN 19 N 1.09 -0.15 0.20 1.90 4.20 -0.34 -1.88 115.11 120.13 1big h GLN 19 Ca 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1big h GLN 19 Cb 0.10 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1big h GLN 19 CO -0.04 0.30 -0.10 0.52 -0.67 0.00 0.00 178.83 178.85 1big h MET 20 N -0.68 -0.26 0.00 1.46 2.86 -1.12 -3.42 114.93 113.78 1big h MET 20 Ca -0.02 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1big h MET 20 Cb 0.52 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1big h MET 20 CO 0.03 -0.12 -0.33 1.19 1.06 0.00 0.00 176.91 178.74 1big n PHE 21 N -5.18 0.00 0.00 -0.22 3.01 0.01 -5.07 117.46 110.02 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 0.15 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 2.61 0.93 2.71 1.37 0.00 -0.67 -4.96 105.19 107.18 1big n GLY 22 Ca -0.05 0.00 -0.28 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 1.78 0.00 1.61 1.02 -1.24 -4.92 119.74 117.98 1big s LYS 23 Ca 0.00 -2.73 0.09 0.00 0.02 0.00 0.00 55.97 53.35 1big s LYS 23 Cb 0.00 -2.62 0.53 0.00 -0.52 0.00 0.00 37.83 35.23 1big s LYS 23 CO 0.00 -1.29 0.98 -0.35 -0.92 0.00 0.00 175.35 173.77 1big n PRO 24 N 2.52 0.29 -4.00 -1.68 -0.04 -1.26 -4.35 135.00 126.47 1big n PRO 24 Ca 0.21 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.32 1big n PRO 24 Cb 0.39 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1big n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1big s ASN 25 N -1.99 5.58 -0.04 3.54 0.01 -1.26 -4.39 114.94 116.39 1big s ASN 25 Ca 0.13 0.06 -0.10 0.00 -0.71 0.00 0.00 52.86 52.25 1big s ASN 25 Cb 0.06 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.78 1big s ASN 25 CO 0.10 0.16 0.23 -0.83 -1.51 0.00 0.00 177.10 175.25 1big s GLY 26 N 0.45 -0.10 0.30 0.66 0.00 -1.26 -2.35 107.32 105.02 1big s GLY 26 Ca 0.03 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.10 1big s GLY 26 CO 0.01 0.18 0.08 0.54 0.00 0.00 0.00 173.10 173.91 1big s LYS 27 N -0.75 1.55 0.10 2.90 1.02 -0.16 -4.22 119.74 120.17 1big s LYS 27 Ca -0.08 -1.85 0.04 0.00 0.02 0.00 0.00 55.97 54.09 1big s LYS 27 Cb -0.05 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 1big s LYS 27 CO 0.02 -0.26 0.05 0.00 -0.92 0.00 0.00 175.35 174.23 1big s MET 29 N -2.44 0.99 -1.02 0.00 0.23 0.84 -4.88 119.30 113.01 1big s MET 29 Ca 0.28 -1.12 -0.08 0.00 -1.03 0.00 0.00 55.69 53.73 1big s MET 29 Cb -0.12 -2.31 0.08 0.00 -1.53 0.00 0.00 34.83 30.96 1big s MET 29 CO 0.20 -0.88 0.20 0.27 -2.03 0.00 0.00 175.02 172.79 1big n ASN 30 N 4.74 -0.36 0.00 -1.18 0.23 -1.26 -1.22 115.26 116.21 1big n ASN 30 Ca -0.03 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.28 1big n ASN 30 Cb 0.43 -0.93 0.00 0.00 -2.08 0.00 0.00 39.78 37.20 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1big n GLY 31 N -1.31 0.68 3.57 4.83 0.00 -1.26 -5.07 105.19 106.63 1big n GLY 31 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 2.05 0.75 1.61 -0.14 -0.36 -0.18 119.74 123.47 1big s LYS 32 Ca 0.00 -1.38 -0.11 0.00 -1.36 0.00 0.00 55.97 53.12 1big s LYS 32 Cb 0.00 -2.10 0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1big s LYS 32 CO 0.00 0.40 1.08 0.00 -0.76 0.00 0.00 175.35 176.07 1big s ARG 34 N -4.96 0.40 0.32 0.00 6.06 0.25 -2.63 118.95 118.39 1big s ARG 34 Ca 0.60 -0.20 0.08 0.00 -2.50 0.00 0.00 55.73 53.71 1big s ARG 34 Cb -0.16 -0.38 -0.04 0.00 0.06 0.00 0.00 34.95 34.44 1big s ARG 34 CO 0.56 0.10 0.18 0.00 -2.50 0.00 0.00 175.30 173.64 1big n TYR 36 N -1.20 0.00 0.34 0.00 4.02 -0.99 -4.92 117.16 114.42 1big n TYR 36 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1big n TYR 36 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.96 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28