#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 0.89 0.00 2.62 3.04 -1.89 0.62 116.25 121.52 1liq h VAL 2 Ca 0.00 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.57 1liq h VAL 2 Cb 0.00 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 1liq h VAL 2 CO 0.00 0.03 -0.28 -0.09 -1.01 0.00 0.00 177.57 176.23 1liq h ARG 3 N 0.18 0.00 -0.02 4.17 9.65 -1.94 -2.34 114.38 124.08 1liq h ARG 3 Ca 0.19 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1liq h ARG 3 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1liq h ARG 3 CO -0.03 0.28 -0.11 0.00 2.80 0.00 0.00 179.97 182.91 1liq n ALA 4 N -2.39 2.74 -1.58 2.80 0.00 0.14 -4.96 120.51 117.26 1liq n ALA 4 Ca -0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 1liq n ALA 4 Cb 0.36 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 2.37 -4.55 0.00 3.41 -1.26 -5.01 113.62 105.39 1liq n SER 6 Ca 0.07 -3.06 -0.35 0.00 -0.26 0.00 0.00 58.87 55.27 1liq n SER 6 Cb 0.54 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.83 3.61 0.41 1.04 1.43 -1.26 -4.98 118.68 116.10 1liq s LEU 7 Ca 0.31 -0.05 0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1liq s LEU 7 Cb 0.27 -1.92 1.46 0.00 0.03 0.00 0.00 46.19 46.03 1liq s LEU 7 CO 0.03 0.10 1.85 -0.65 0.23 0.00 0.00 176.35 177.92 1liq h PRO 8 N 7.22 0.00 0.21 1.29 0.11 -1.95 -2.79 132.00 136.09 1liq h PRO 8 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1liq h PRO 8 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1liq h PRO 8 CO 0.65 0.00 -0.10 1.25 -0.21 0.00 0.00 178.00 179.58 1liq h HIS 9 N 0.00 -0.26 0.00 0.65 2.76 -2.02 -3.22 115.15 113.05 1liq h HIS 9 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1liq h HIS 9 Cb 0.08 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 1liq h HIS 9 CO 0.00 0.09 -0.01 0.00 -1.30 0.00 0.00 177.93 176.70 1liq s ARG 11 N -4.58 3.28 0.00 0.00 3.52 -1.07 -4.56 118.95 115.53 1liq s ARG 11 Ca -0.05 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.31 1liq s ARG 11 Cb 0.15 -5.33 0.00 0.00 -1.56 0.00 0.00 34.95 28.21 1liq s ARG 11 CO 0.55 -2.82 0.00 2.41 -0.81 0.00 0.00 175.30 174.62 1liq n THR 12 N 7.12 0.00 -0.94 4.11 -1.04 -1.26 -4.96 114.28 117.32 1liq n THR 12 Ca 0.42 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.47 1liq n THR 12 Cb 0.48 -0.30 0.05 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.89 1.33 -1.13 -2.82 2.81 -1.26 -4.97 117.12 110.18 1liq n MET 13 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 1liq n MET 13 Cb 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.69 0.00 -1.44 0.03 2.85 -1.26 -4.94 118.16 112.71 1liq n LYS 14 Ca 0.06 0.35 -0.32 0.00 -1.05 0.00 0.00 58.31 57.35 1liq n LYS 14 Cb 0.52 -3.54 -0.08 0.00 -0.65 0.00 0.00 35.03 31.27 1liq n LYS 14 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1liq n ASN 15 N 1.83 2.17 -0.33 -5.58 0.23 -1.26 -4.71 115.26 107.61 1liq n ASN 15 Ca 0.00 -2.61 0.14 0.00 -0.53 0.00 0.00 54.58 51.58 1liq n ASN 15 Cb 0.11 -1.36 0.36 0.00 -2.08 0.00 0.00 39.78 36.81 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 5.65 0.71 -0.56 3.53 2.07 -1.93 0.16 116.25 125.88 1liq h VAL 16 Ca 0.23 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1liq h VAL 16 Cb 0.84 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1liq h VAL 16 CO 1.51 0.13 0.37 -0.07 0.02 0.00 0.00 177.57 179.53 1liq h LEU 17 N 0.69 0.61 -0.38 2.57 3.38 -1.98 0.41 115.31 120.60 1liq h LEU 17 Ca 0.55 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.33 1liq h LEU 17 Cb 0.95 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1liq h LEU 17 CO -0.32 0.43 -0.81 -1.13 0.09 0.00 0.00 178.44 176.70 1liq h ASN 18 N 0.71 0.12 0.05 -0.43 -0.73 -1.11 -2.85 115.58 111.33 1liq h ASN 18 Ca 0.21 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 1liq h ASN 18 Cb -0.01 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.54 1liq h ASN 18 CO -0.05 0.88 -0.02 -0.74 -0.37 0.00 0.00 177.43 177.12 1liq h HIS 19 N 0.05 -0.06 -0.08 0.67 2.76 -0.38 -3.31 115.15 114.81 1liq h HIS 19 Ca -0.02 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1liq h HIS 19 Cb 1.42 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.39 1liq h HIS 19 CO 0.01 0.05 0.23 1.98 -1.30 0.00 0.00 177.93 178.90 1liq h MET 20 N -1.01 0.00 0.00 5.26 4.05 -0.38 0.84 114.93 123.69 1liq h MET 20 Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1liq h MET 20 Cb 0.13 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1liq h MET 20 CO 0.01 0.00 -0.03 1.15 0.23 0.00 0.00 176.91 178.27 1liq h THR 21 N 0.00 0.08 0.00 -0.77 2.02 -1.59 -3.30 112.91 109.36 1liq h THR 21 Ca 0.04 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1liq h THR 21 Cb 0.49 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1liq h THR 21 CO -0.00 0.03 -0.12 0.00 0.37 0.00 0.00 175.52 175.80 1liq n HIS 22 N -3.15 0.00 -3.93 3.16 1.44 0.43 -5.10 115.22 108.07 1liq n HIS 22 Ca -0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.49 1liq n HIS 22 Cb 0.27 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.38 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 -3.72 0.38 -0.34 0.00 -0.21 -1.26 -4.61 119.66 109.89 1liq s GLN 24 Ca 0.21 0.95 -0.06 0.00 0.02 0.00 0.00 55.36 56.47 1liq s GLN 24 Cb -0.02 0.18 0.23 0.00 1.00 0.00 0.00 33.01 34.40 1liq s GLN 24 CO 0.13 -0.20 1.14 0.00 -2.12 0.00 0.00 175.29 174.23 1liq n ALA 25 N 4.85 -3.77 0.00 6.09 0.00 -1.26 -4.94 120.51 121.49 1liq n ALA 25 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1liq n ALA 25 Cb 0.52 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.67 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 2.35 -0.29 0.00 0.00 0.00 -1.26 -3.06 105.19 102.92 1liq n GLY 26 Ca 0.09 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.59 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49