#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 1.18 0.00 2.62 3.04 -1.88 -2.14 116.25 119.07 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 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1liq h VAL 2 CO 0.00 0.25 -0.21 0.03 -1.01 0.00 0.00 177.57 176.63 1liq h ARG 3 N 0.04 0.00 -0.15 4.17 3.08 -1.95 -2.08 114.38 117.49 1liq h ARG 3 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1liq h ARG 3 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1liq h ARG 3 CO 0.03 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 1liq n ALA 4 N -2.39 2.46 -1.57 0.04 0.00 -0.84 -4.97 120.51 113.25 1liq n ALA 4 Ca -0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 1liq n ALA 4 Cb 0.30 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.16 2.44 -4.75 0.00 3.41 -1.26 -5.03 113.62 105.27 1liq n SER 6 Ca 0.07 -2.93 -0.34 0.00 -0.26 0.00 0.00 58.87 55.42 1liq n SER 6 Cb 0.54 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.60 3.80 0.00 1.04 1.43 -1.26 -5.00 118.68 116.08 1liq s LEU 7 Ca 0.29 0.14 0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1liq s LEU 7 Cb 0.25 -2.12 1.32 0.00 0.03 0.00 0.00 46.19 45.67 1liq s LEU 7 CO 0.03 0.31 1.95 -0.81 0.23 0.00 0.00 176.35 178.06 1liq n PRO 8 N 1.48 0.16 -0.07 1.29 -0.04 -1.26 -3.33 135.00 133.22 1liq n PRO 8 Ca -0.15 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1liq n PRO 8 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.00 0.00 0.00 0.54 2.76 -2.02 -3.32 115.15 113.10 1liq h HIS 9 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1liq h HIS 9 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1liq h HIS 9 CO 0.00 1.02 -0.18 0.00 -1.30 0.00 0.00 177.93 177.47 1liq s ARG 11 N -4.21 2.86 0.00 0.00 3.52 -1.21 -4.35 118.95 115.56 1liq s ARG 11 Ca -0.03 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 1liq s ARG 11 Cb 0.13 -5.24 0.00 0.00 -1.56 0.00 0.00 34.95 28.29 1liq s ARG 11 CO 0.63 -3.30 0.00 2.41 -0.81 0.00 0.00 175.30 174.22 1liq n THR 12 N 7.52 0.00 -0.95 4.11 -1.04 -1.26 -4.95 114.28 117.70 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 0.47 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.00 4.50 -2.74 -2.82 2.81 -1.26 -4.91 117.12 112.70 1liq n MET 13 Ca 0.00 -3.14 -0.17 0.00 -1.81 0.00 0.00 57.70 52.58 1liq n MET 13 Cb 0.00 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.28 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 0.35 -2.83 -1.55 0.03 2.85 -1.26 -4.80 118.16 110.95 1liq n LYS 14 Ca 0.30 0.66 -0.34 0.00 -1.05 0.00 0.00 58.31 57.88 1liq n LYS 14 Cb 1.22 -5.33 -0.07 0.00 -0.65 0.00 0.00 35.03 30.20 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 -2.05 2.52 -0.33 -5.58 0.23 -1.26 -4.73 115.26 104.06 1liq n ASN 15 Ca -0.12 -2.65 0.22 0.00 -0.53 0.00 0.00 54.58 51.50 1liq n ASN 15 Cb 0.60 -1.40 0.45 0.00 -2.08 0.00 0.00 39.78 37.35 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 5.50 0.32 -0.55 3.53 2.07 -1.95 0.76 116.25 125.93 1liq h VAL 16 Ca 0.28 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1liq h VAL 16 Cb 0.82 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1liq h VAL 16 CO 1.55 0.06 0.37 -0.07 0.02 0.00 0.00 177.57 179.50 1liq h LEU 17 N 0.34 0.63 -0.22 2.57 3.38 -1.98 0.50 115.31 120.53 1liq h LEU 17 Ca 0.71 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.45 1liq h LEU 17 Cb 1.58 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1liq h LEU 17 CO -0.60 0.46 -0.92 -1.13 0.09 0.00 0.00 178.44 176.34 1liq h ASN 18 N 0.75 0.43 0.24 -0.43 -0.73 0.08 -2.86 115.58 113.05 1liq h ASN 18 Ca 0.20 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 58.02 1liq h ASN 18 Cb -0.08 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.38 1liq h ASN 18 CO -0.04 1.14 -0.11 -0.74 -0.37 0.00 0.00 177.43 177.31 1liq h HIS 19 N 0.18 -0.29 -0.13 0.67 2.76 -0.23 -3.27 115.15 114.84 1liq h HIS 19 Ca -0.07 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1liq h HIS 19 Cb 1.55 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.60 1liq h HIS 19 CO 0.05 -0.17 0.28 0.52 -1.30 0.00 0.00 177.93 177.31 1liq h MET 20 N -1.08 0.00 0.00 5.26 2.86 -0.19 0.83 114.93 122.60 1liq h MET 20 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1liq h MET 20 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1liq h MET 20 CO 0.05 0.00 -0.01 1.15 1.06 0.00 0.00 176.91 179.16 1liq h THR 21 N 0.00 0.04 0.00 2.22 2.02 -1.55 -1.63 112.91 114.00 1liq h THR 21 Ca 0.06 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.79 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 0.01 -0.03 0.00 0.37 0.00 0.00 175.52 175.87 1liq n HIS 22 N -3.11 0.00 -0.03 3.16 1.44 0.68 -4.84 115.22 112.51 1liq n HIS 22 Ca -0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1liq n HIS 22 Cb 0.27 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.33 1liq n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1liq n GLN 24 N -2.28 0.00 -1.18 0.00 10.64 -0.61 -4.95 117.38 119.00 1liq n GLN 24 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1liq n GLN 24 Cb 0.72 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.10 1liq n GLN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1liq n ALA 25 N 0.05 -1.97 -0.11 2.61 0.00 -1.26 -4.57 120.51 115.26 1liq n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1liq n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.52 -0.64 0.00 0.00 0.00 -1.26 -3.89 105.19 98.88 1liq n GLY 26 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49