#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 1.07 0.00 2.62 3.04 -1.89 -0.94 116.25 120.15 1liq h VAL 2 Ca 0.00 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1liq h VAL 2 Cb 0.00 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 29.53 1liq h VAL 2 CO 0.00 0.14 -0.04 -0.09 -1.01 0.00 0.00 177.57 176.56 1liq h ARG 3 N 0.75 0.00 -0.18 4.17 1.12 -1.92 -0.44 114.38 117.87 1liq h ARG 3 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 1liq h ARG 3 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 1liq h ARG 3 CO -0.10 0.04 0.00 0.00 -3.11 0.00 0.00 179.97 176.80 1liq n ALA 4 N -2.46 2.48 -1.57 2.80 0.00 -0.53 -4.95 120.51 116.28 1liq n ALA 4 Ca -0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 53.44 52.40 1liq n ALA 4 Cb 0.13 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.20 2.43 -4.76 0.00 3.41 -1.26 -5.03 113.62 105.21 1liq n SER 6 Ca 0.07 -3.01 -0.33 0.00 -0.26 0.00 0.00 58.87 55.34 1liq n SER 6 Cb 0.54 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.75 3.81 -0.26 1.04 1.43 -1.26 -5.01 118.68 115.69 1liq s LEU 7 Ca 0.31 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1liq s LEU 7 Cb 0.27 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 44.39 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 1.43 1.91 0.00 1.29 -0.04 -1.26 -3.87 135.00 134.45 1liq n PRO 8 Ca -0.15 -1.49 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 1.06 0.00 0.16 0.54 -0.00 -1.26 -4.86 115.22 110.87 1liq n HIS 9 Ca 0.34 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.54 1liq n HIS 9 Cb 0.62 0.34 0.35 0.00 -0.12 0.00 0.00 29.99 31.18 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 -4.26 2.86 0.00 0.00 3.52 -1.26 -4.49 118.95 115.32 1liq s ARG 11 Ca -0.03 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1liq s ARG 11 Cb 0.14 -5.24 0.00 0.00 -1.56 0.00 0.00 34.95 28.30 1liq s ARG 11 CO 0.73 -3.31 0.00 2.41 -0.81 0.00 0.00 175.30 174.33 1liq n THR 12 N 7.52 0.00 0.07 4.11 -1.04 -1.26 -4.95 114.28 118.72 1liq n THR 12 Ca 0.42 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.48 1liq n THR 12 Cb 0.47 -0.19 0.09 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.85 1.84 -1.06 -2.82 2.81 -1.26 -4.96 117.12 110.82 1liq n MET 13 Ca 0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 57.70 54.30 1liq n MET 13 Cb 0.00 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.41 0.00 -1.43 0.03 2.85 -1.26 -4.94 118.16 113.82 1liq n LYS 14 Ca 0.08 0.40 -0.33 0.00 -1.05 0.00 0.00 58.31 57.42 1liq n LYS 14 Cb 0.33 -3.67 -0.08 0.00 -0.65 0.00 0.00 35.03 30.96 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 1.86 2.19 -0.21 -5.58 0.23 -1.26 -4.70 115.26 107.80 1liq n ASN 15 Ca 0.00 -2.62 0.25 0.00 -0.53 0.00 0.00 54.58 51.68 1liq n ASN 15 Cb 0.06 -1.34 0.64 0.00 -2.08 0.00 0.00 39.78 37.06 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 5.59 0.59 -0.34 3.53 2.07 -1.93 0.28 116.25 126.04 1liq h VAL 16 Ca 0.24 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 1liq h VAL 16 Cb 0.83 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1liq h VAL 16 CO 1.54 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 178.98 1liq h LEU 17 N 0.17 0.57 -0.39 2.57 3.38 -1.99 -0.33 115.31 119.29 1liq h LEU 17 Ca 0.45 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 58.10 1liq h LEU 17 Cb 1.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1liq h LEU 17 CO -0.09 0.71 -0.81 0.78 0.09 0.00 0.00 178.44 179.13 1liq h ASN 18 N 0.54 0.09 0.22 -0.43 2.35 -0.86 -2.99 115.58 114.50 1liq h ASN 18 Ca 0.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1liq h ASN 18 Cb 0.51 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1liq h ASN 18 CO 0.03 0.86 -0.10 -0.74 -1.65 0.00 0.00 177.43 175.83 1liq h HIS 19 N 0.04 -0.27 -0.11 1.19 2.76 -0.98 -3.27 115.15 114.51 1liq h HIS 19 Ca -0.02 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1liq h HIS 19 Cb 1.42 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.47 1liq h HIS 19 CO 0.01 -0.08 0.25 0.52 -1.30 0.00 0.00 177.93 177.33 1liq h MET 20 N -1.05 0.00 0.00 5.26 2.86 -1.20 0.78 114.93 121.58 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 0.60 0.00 2.22 1.03 -1.57 -3.24 112.91 111.95 1liq h THR 21 Ca 0.05 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1liq h THR 21 Cb 0.55 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1liq h THR 21 CO -0.00 0.12 -0.09 0.00 -0.01 0.00 0.00 175.52 175.53 1liq n HIS 22 N -3.69 0.00 -4.62 0.00 1.44 0.35 -5.06 115.22 103.63 1liq n HIS 22 Ca -0.02 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.37 1liq n HIS 22 Cb 0.23 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.23 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 -1.25 2.36 0.00 0.00 -2.07 -1.26 -4.32 119.66 113.12 1liq s GLN 24 Ca 0.15 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1liq s GLN 24 Cb -0.11 -2.60 0.00 0.00 -1.09 0.00 0.00 33.01 29.21 1liq s GLN 24 CO 0.05 -0.79 0.00 0.00 -1.32 0.00 0.00 175.29 173.23 1liq n ALA 25 N -2.25 -2.36 0.00 2.60 0.00 -1.26 -4.78 120.51 112.45 1liq n ALA 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1liq n ALA 25 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.64 -1.14 0.00 0.00 0.00 -1.26 -3.51 105.19 99.92 1liq n GLY 26 Ca 0.00 0.57 0.00 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