#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 -1.88 -2.17 116.25 119.04 1liq h VAL 2 Ca 0.00 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.74 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 -0.35 -0.09 -1.01 0.00 0.00 177.57 176.38 1liq h ARG 3 N 0.04 0.00 -0.05 4.17 9.65 -1.94 -2.45 114.38 123.79 1liq h ARG 3 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1liq h ARG 3 Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1liq h ARG 3 CO 0.03 0.35 0.00 0.00 2.80 0.00 0.00 179.97 183.15 1liq n ALA 4 N -2.41 2.51 -1.58 2.80 0.00 -0.85 -4.95 120.51 116.04 1liq n ALA 4 Ca -0.02 -0.59 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1liq n ALA 4 Cb 0.41 -0.99 0.06 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 -3.18 2.45 -4.75 0.00 7.64 -1.26 -5.03 113.62 109.49 1liq n SER 6 Ca 0.07 -2.88 -0.34 0.00 1.01 0.00 0.00 58.87 56.74 1liq n SER 6 Cb 0.54 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.53 3.80 0.00 -3.43 1.43 -1.26 -5.00 118.68 111.69 1liq s LEU 7 Ca 0.27 0.15 0.28 0.00 -1.03 0.00 0.00 54.13 53.80 1liq s LEU 7 Cb 0.24 -2.11 1.25 0.00 0.03 0.00 0.00 46.19 45.59 1liq s LEU 7 CO 0.03 0.31 1.92 -0.81 0.23 0.00 0.00 176.35 178.03 1liq n PRO 8 N 1.50 0.08 -0.07 1.29 -0.04 -1.26 -3.33 135.00 133.16 1liq n PRO 8 Ca -0.15 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 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 -3.31 115.15 113.11 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 0.44 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1liq h HIS 9 CO 0.00 0.94 -0.14 0.00 -1.30 0.00 0.00 177.93 177.43 1liq s ARG 11 N -4.22 3.04 0.00 0.00 3.52 -1.21 -4.37 118.95 115.71 1liq s ARG 11 Ca -0.03 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 1liq s ARG 11 Cb 0.13 -5.28 0.00 0.00 -1.56 0.00 0.00 34.95 28.25 1liq s ARG 11 CO 0.60 -3.11 0.00 2.41 -0.81 0.00 0.00 175.30 174.40 1liq n THR 12 N 7.36 0.00 -0.95 4.11 -1.04 -1.26 -4.95 114.28 117.54 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 0.38 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 4.52 -2.70 -2.82 2.81 -1.26 -4.91 117.12 112.76 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 -2.24 -0.00 0.00 -0.71 0.00 0.00 33.22 30.27 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 0.36 -2.74 -1.54 0.03 2.85 -1.26 -4.80 118.16 111.06 1liq n LYS 14 Ca 0.31 0.67 -0.34 0.00 -1.05 0.00 0.00 58.31 57.90 1liq n LYS 14 Cb 1.24 -5.33 -0.07 0.00 -0.65 0.00 0.00 35.03 30.22 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 -2.02 2.51 -0.34 -5.58 0.23 -1.26 -4.73 115.26 104.07 1liq n ASN 15 Ca -0.13 -2.65 0.23 0.00 -0.53 0.00 0.00 54.58 51.50 1liq n ASN 15 Cb 0.61 -1.39 0.46 0.00 -2.08 0.00 0.00 39.78 37.38 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 5.49 0.34 -0.56 3.53 2.07 -1.94 0.77 116.25 125.94 1liq h VAL 16 Ca 0.28 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1liq h VAL 16 Cb 0.82 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1liq h VAL 16 CO 1.55 0.07 0.37 -0.07 0.02 0.00 0.00 177.57 179.50 1liq h LEU 17 N 0.36 0.65 -0.21 2.57 3.38 -1.98 0.48 115.31 120.56 1liq h LEU 17 Ca 0.72 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 58.46 1liq h LEU 17 Cb 1.61 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1liq h LEU 17 CO -0.58 0.47 -0.92 -1.13 0.09 0.00 0.00 178.44 176.37 1liq h ASN 18 N 0.76 0.44 0.25 -0.43 -1.24 0.11 -2.87 115.58 112.59 1liq h ASN 18 Ca 0.20 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 1liq h ASN 18 Cb -0.08 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.84 1liq h ASN 18 CO -0.04 1.15 -0.12 -0.74 -1.29 0.00 0.00 177.43 176.39 1liq h HIS 19 N 0.19 -0.31 -0.15 0.67 -0.00 -0.29 -3.27 115.15 111.99 1liq h HIS 19 Ca -0.07 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1liq h HIS 19 Cb 1.55 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 29.06 1liq h HIS 19 CO 0.05 -0.19 0.30 0.52 -0.00 0.00 0.00 177.93 178.61 1liq h MET 20 N -1.09 0.00 0.00 5.26 2.86 -0.21 0.81 114.93 122.55 1liq h MET 20 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 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 0.06 0.00 -0.00 1.15 1.06 0.00 0.00 176.91 179.17 1liq h THR 21 N 0.00 0.01 0.00 2.22 2.02 -1.55 -3.28 112.91 112.33 1liq h THR 21 Ca 0.07 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1liq h THR 21 Cb 0.67 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 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 -3.10 0.00 -4.39 3.16 1.44 0.75 -5.10 115.22 107.99 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 0.27 0.00 -0.06 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 s GLN 24 N -4.00 1.76 0.00 0.00 -2.07 -1.26 -4.59 119.66 109.50 1liq s GLN 24 Ca 0.22 -2.04 0.00 0.00 -1.82 0.00 0.00 55.36 51.72 1liq s GLN 24 Cb 0.01 -0.26 0.00 0.00 -1.09 0.00 0.00 33.01 31.67 1liq s GLN 24 CO 0.12 -0.49 0.00 0.00 -1.32 0.00 0.00 175.29 173.61 1liq n ALA 25 N -0.73 -2.36 0.00 2.60 0.00 -1.26 -4.69 120.51 114.08 1liq n ALA 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1liq n ALA 25 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.18 0.00 3.99 0.00 0.00 -1.26 -2.75 105.19 105.34 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 1.17 0.00 0.00 0.00 173.32 174.49