#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 -2.13 116.25 119.08 1liq h VAL 2 Ca 0.00 -0.89 -0.06 0.00 -1.01 0.00 0.00 66.70 64.73 1liq h VAL 2 Cb 0.00 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1liq h VAL 2 CO 0.00 0.27 -0.30 0.03 -1.01 0.00 0.00 177.57 176.56 1liq h ARG 3 N 0.15 0.00 -0.27 4.17 2.47 -1.93 -2.32 114.38 116.65 1liq h ARG 3 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1liq h ARG 3 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1liq h ARG 3 CO 0.03 0.30 0.00 0.00 0.56 0.00 0.00 179.97 180.86 1liq n ALA 4 N -2.39 2.46 -1.57 0.04 0.00 -0.84 -4.96 120.51 113.25 1liq n ALA 4 Ca -0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 53.44 52.31 1liq n ALA 4 Cb 0.37 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 2.40 -4.75 0.00 7.64 -1.26 -5.03 113.62 109.43 1liq n SER 6 Ca 0.07 -3.01 -0.34 0.00 1.01 0.00 0.00 58.87 56.61 1liq n SER 6 Cb 0.54 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 1liq n SER 6 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1liq s LEU 7 N -2.75 3.81 -0.26 -3.43 1.43 -1.26 -5.01 118.68 111.21 1liq s LEU 7 Ca 0.30 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1liq s LEU 7 Cb 0.26 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.40 1liq s LEU 7 CO 0.03 0.30 2.54 -0.81 0.23 0.00 0.00 176.35 178.64 1liq n PRO 8 N 1.45 1.91 0.00 1.29 -0.04 -1.26 -3.87 135.00 134.48 1liq n PRO 8 Ca -0.15 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1liq n PRO 8 Cb 0.53 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1liq n PRO 8 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1liq n HIS 9 N 1.07 0.00 -0.03 0.54 -0.00 -1.26 -4.87 115.22 110.66 1liq n HIS 9 Ca 0.34 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.46 1liq n HIS 9 Cb 0.62 0.33 0.15 0.00 -0.12 0.00 0.00 29.99 30.97 1liq n HIS 9 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1liq s ARG 11 N -4.53 2.32 0.00 0.00 0.52 -1.26 -4.46 118.95 111.55 1liq s ARG 11 Ca -0.08 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1liq s ARG 11 Cb 0.13 -5.11 0.00 0.00 0.52 0.00 0.00 34.95 30.49 1liq s ARG 11 CO 0.81 -3.93 0.00 2.41 0.02 0.00 0.00 175.30 174.61 1liq n THR 12 N 8.03 0.00 -0.02 0.02 -1.04 -1.26 -4.95 114.28 115.06 1liq n THR 12 Ca 0.43 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.50 1liq n THR 12 Cb 0.46 -0.14 0.14 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.69 2.33 -1.31 -2.82 2.81 -1.26 -4.95 117.12 111.22 1liq n MET 13 Ca 0.00 -1.90 -0.01 0.00 -1.81 0.00 0.00 57.70 53.98 1liq n MET 13 Cb 0.00 -1.28 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.64 -0.09 -1.45 0.03 -0.00 -1.26 -4.93 118.16 111.10 1liq n LYS 14 Ca 0.11 0.41 -0.34 0.00 -0.00 0.00 0.00 58.31 58.49 1liq n LYS 14 Cb 0.41 -3.97 -0.08 0.00 -0.00 0.00 0.00 35.03 31.40 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 1.79 2.36 -0.18 -5.58 0.23 -1.26 -4.70 115.26 107.92 1liq n ASN 15 Ca -0.01 -2.64 0.27 0.00 -0.53 0.00 0.00 54.58 51.66 1liq n ASN 15 Cb 0.17 -1.34 0.69 0.00 -2.08 0.00 0.00 39.78 37.22 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 5.45 0.58 -0.30 3.53 2.07 -1.94 0.29 116.25 125.93 1liq h VAL 16 Ca 0.27 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.67 1liq h VAL 16 Cb 0.81 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1liq h VAL 16 CO 1.58 0.01 -0.21 -0.07 0.02 0.00 0.00 177.57 178.90 1liq h LEU 17 N 0.07 0.57 -0.37 2.57 3.38 -1.99 -0.48 115.31 119.05 1liq h LEU 17 Ca 0.43 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1liq h LEU 17 Cb 1.59 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1liq h LEU 17 CO -0.04 0.78 -0.82 0.78 0.09 0.00 0.00 178.44 179.23 1liq h ASN 18 N 0.50 0.11 0.23 -0.43 4.21 -0.85 -3.00 115.58 116.35 1liq h ASN 18 Ca 0.08 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1liq h ASN 18 Cb 0.64 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1liq h ASN 18 CO 0.05 0.88 -0.11 -0.74 -1.29 0.00 0.00 177.43 176.22 1liq h HIS 19 N 0.05 -0.28 -0.12 1.19 -0.00 -1.05 -3.27 115.15 111.67 1liq h HIS 19 Ca -0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1liq h HIS 19 Cb 1.43 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.93 1liq h HIS 19 CO 0.01 -0.10 0.26 0.52 -0.00 0.00 0.00 177.93 178.62 1liq h MET 20 N -1.06 0.00 0.00 5.26 2.86 -1.22 0.78 114.93 121.55 1liq h MET 20 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1liq h MET 20 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1liq h MET 20 CO 0.05 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.90 1liq h THR 21 N 0.00 0.59 0.00 2.22 1.03 -1.57 -3.25 112.91 111.94 1liq h THR 21 Ca 0.06 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1liq h THR 21 Cb 0.57 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1liq h THR 21 CO -0.00 0.12 -0.08 0.00 -0.01 0.00 0.00 175.52 175.55 1liq n HIS 22 N -3.68 0.00 -4.46 0.00 1.44 0.36 -5.07 115.22 103.81 1liq n HIS 22 Ca -0.02 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.38 1liq n HIS 22 Cb 0.24 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.65 2.23 0.00 0.00 1.03 -1.26 -4.34 119.66 115.67 1liq s GLN 24 Ca 0.17 -2.34 0.00 0.00 0.04 0.00 0.00 55.36 53.23 1liq s GLN 24 Cb -0.11 -1.66 0.00 0.00 0.03 0.00 0.00 33.01 31.27 1liq s GLN 24 CO 0.08 -0.47 0.00 0.00 -2.54 0.00 0.00 175.29 172.36 1liq n ALA 25 N -1.43 -2.36 -1.00 2.60 0.00 -1.26 -4.95 120.51 112.11 1liq n ALA 25 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1liq n ALA 25 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.17 -2.31 0.00 0.00 0.00 -1.26 -4.60 105.19 96.84 1liq n GLY 26 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49