#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1liq h VAL 2 N 0.00 1.19 0.00 2.62 3.04 -1.89 -2.19 116.25 119.02 1liq h VAL 2 Ca 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 64.78 1liq h VAL 2 Cb 0.00 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 1liq h VAL 2 CO 0.00 0.26 -0.20 0.03 -1.01 0.00 0.00 177.57 176.64 1liq h ARG 3 N 0.11 0.00 -0.14 4.17 2.47 -1.93 -1.76 114.38 117.30 1liq h ARG 3 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1liq h ARG 3 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1liq h ARG 3 CO 0.03 0.20 0.00 0.00 0.56 0.00 0.00 179.97 180.76 1liq n ALA 4 N -2.45 2.49 -1.57 0.04 0.00 -0.85 -4.95 120.51 113.22 1liq n ALA 4 Ca -0.02 -0.67 -0.31 0.00 0.00 0.00 0.00 53.44 52.44 1liq n ALA 4 Cb 0.27 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.81 1liq n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1liq n SER 6 N -3.19 2.84 -4.75 0.00 3.41 -1.26 -5.01 113.62 105.66 1liq n SER 6 Ca 0.07 -2.74 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 1liq n SER 6 Cb 0.54 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1liq n SER 6 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1liq s LEU 7 N -2.30 3.80 0.00 1.04 1.43 -1.26 -5.00 118.68 116.39 1liq s LEU 7 Ca 0.29 0.15 0.30 0.00 -1.03 0.00 0.00 54.13 53.84 1liq s LEU 7 Cb 0.23 -2.10 1.52 0.00 0.03 0.00 0.00 46.19 45.86 1liq s LEU 7 CO 0.06 0.31 2.05 -0.81 0.23 0.00 0.00 176.35 178.19 1liq n PRO 8 N 1.51 0.42 -0.08 1.29 -0.04 -1.26 -3.45 135.00 133.39 1liq n PRO 8 Ca -0.15 -0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1liq n PRO 8 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1liq n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1liq h HIS 9 N 0.01 0.00 0.00 0.54 2.76 -2.02 -3.34 115.15 113.09 1liq h HIS 9 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1liq h HIS 9 Cb 0.29 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1liq h HIS 9 CO 0.00 1.10 -0.15 0.00 -1.30 0.00 0.00 177.93 177.58 1liq s ARG 11 N -4.47 3.15 0.00 0.00 3.00 -1.22 -4.46 118.95 114.95 1liq s ARG 11 Ca -0.04 -1.15 0.00 0.00 -1.00 0.00 0.00 55.73 53.54 1liq s ARG 11 Cb 0.15 -5.30 0.00 0.00 0.00 0.00 0.00 34.95 29.79 1liq s ARG 11 CO 0.65 -2.97 0.00 2.41 0.00 0.00 0.00 175.30 175.39 1liq n THR 12 N 7.24 0.00 -0.03 4.11 -1.04 -1.26 -4.96 114.28 118.34 1liq n THR 12 Ca 0.42 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.46 1liq n THR 12 Cb 0.48 -0.13 0.08 0.00 -1.82 0.00 0.00 70.33 68.94 1liq n THR 12 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1liq n MET 13 N -0.80 2.36 -1.41 -2.82 2.81 -1.26 -4.96 117.12 111.03 1liq n MET 13 Ca 0.00 -1.67 -0.03 0.00 -1.81 0.00 0.00 57.70 54.19 1liq n MET 13 Cb 0.00 -1.16 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 1liq n MET 13 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1liq n LYS 14 N 0.18 -0.23 -1.49 0.03 -0.00 -1.26 -4.92 118.16 110.46 1liq n LYS 14 Ca 0.07 0.46 -0.33 0.00 -0.00 0.00 0.00 58.31 58.51 1liq n LYS 14 Cb 0.32 -4.11 -0.08 0.00 -0.00 0.00 0.00 35.03 31.17 1liq n LYS 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1liq n ASN 15 N 1.46 2.35 -0.34 -5.58 0.23 -1.26 -4.72 115.26 107.39 1liq n ASN 15 Ca -0.03 -2.63 0.19 0.00 -0.53 0.00 0.00 54.58 51.58 1liq n ASN 15 Cb 0.24 -1.37 0.41 0.00 -2.08 0.00 0.00 39.78 36.99 1liq n ASN 15 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1liq h VAL 16 N 5.56 0.49 -0.57 3.53 2.07 -1.94 0.48 116.25 125.87 1liq h VAL 16 Ca 0.25 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1liq h VAL 16 Cb 0.83 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1liq h VAL 16 CO 1.53 0.09 0.38 -0.07 0.02 0.00 0.00 177.57 179.52 1liq h LEU 17 N 0.52 0.58 -0.40 2.57 3.38 -1.99 0.35 115.31 120.32 1liq h LEU 17 Ca 0.66 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.45 1liq h LEU 17 Cb 1.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1liq h LEU 17 CO -0.49 0.41 -0.80 -1.13 0.09 0.00 0.00 178.44 176.52 1liq h ASN 18 N 0.68 0.09 0.06 -0.43 -0.73 -0.45 -2.88 115.58 111.91 1liq h ASN 18 Ca 0.22 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 1liq h ASN 18 Cb 0.06 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1liq h ASN 18 CO -0.06 0.85 -0.03 -0.74 -0.37 0.00 0.00 177.43 177.08 1liq h HIS 19 N 0.04 -0.08 -0.13 0.67 2.76 -0.35 -3.31 115.15 114.75 1liq h HIS 19 Ca -0.02 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1liq h HIS 19 Cb 1.41 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 1liq h HIS 19 CO 0.01 -0.00 0.29 0.52 -1.30 0.00 0.00 177.93 177.44 1liq h MET 20 N -1.02 0.00 0.00 5.26 2.86 -0.51 0.79 114.93 122.31 1liq h MET 20 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1liq h MET 20 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1liq h MET 20 CO 0.01 0.00 0.00 1.15 1.06 0.00 0.00 176.91 179.13 1liq h THR 21 N 0.00 0.00 0.00 2.22 2.02 -1.59 -3.28 112.91 112.27 1liq h THR 21 Ca 0.06 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1liq h THR 21 Cb 0.63 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1liq h THR 21 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1liq n HIS 22 N -3.04 0.00 -4.30 3.16 1.44 0.73 -5.08 115.22 108.13 1liq n HIS 22 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1liq n HIS 22 Cb 0.28 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.28 1liq n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1liq s GLN 24 N -2.27 2.50 0.00 0.00 -2.07 -1.26 -4.43 119.66 112.13 1liq s GLN 24 Ca 0.19 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.15 1liq s GLN 24 Cb -0.10 -2.37 0.00 0.00 -1.09 0.00 0.00 33.01 29.45 1liq s GLN 24 CO 0.11 -0.27 0.00 0.00 -1.32 0.00 0.00 175.29 173.81 1liq n ALA 25 N -1.61 -1.85 0.00 2.60 0.00 -1.26 -4.90 120.51 113.50 1liq n ALA 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1liq n ALA 25 Cb 0.62 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1liq n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1liq n GLY 26 N -0.01 1.23 3.97 0.00 0.00 -1.26 -3.86 105.19 105.26 1liq n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1liq n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60