#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n ALA 20 N 0.00 0.17 0.00 -1.39 0.00 -1.26 -4.03 120.51 114.00 3a0h n ALA 20 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3a0h n ALA 20 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3a0h n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3a0h n GLN 21 N -2.86 0.00 0.03 0.00 6.02 -1.26 -1.25 117.38 118.05 3a0h n GLN 21 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 3a0h n GLN 21 Cb 0.19 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.41 3a0h n GLN 21 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3a0h h LEU 22 N 0.00 -0.40 -0.54 1.08 6.46 -2.01 -2.60 115.31 117.30 3a0h h LEU 22 Ca 0.00 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3a0h h LEU 22 Cb 0.00 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3a0h h LEU 22 CO 0.00 -0.18 0.31 0.74 -0.62 0.00 0.00 178.44 178.69 3a0h h THR 23 N -0.20 1.02 0.00 1.05 2.02 -1.54 -1.70 112.91 113.57 3a0h h THR 23 Ca 0.07 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3a0h h THR 23 Cb 0.29 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3a0h h THR 23 CO -0.18 0.11 -0.16 -0.03 0.37 0.00 0.00 175.52 175.63 3a0h h MET 24 N 0.61 0.00 -0.14 6.66 1.85 -1.67 -2.03 114.93 120.20 3a0h h MET 24 Ca 0.23 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 59.12 3a0h h MET 24 Cb 0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.10 3a0h h MET 24 CO -0.12 0.16 -0.72 -0.84 -0.40 0.00 0.00 176.91 175.00 3a0h h ILE 25 N 0.00 1.32 -0.29 1.77 3.07 -0.93 -3.31 117.51 119.14 3a0h h ILE 25 Ca -0.00 -1.99 0.07 0.00 1.55 0.00 0.00 64.86 64.48 3a0h h ILE 25 Cb 0.42 1.97 -0.08 0.00 -0.27 0.00 0.00 36.82 38.86 3a0h h ILE 25 CO 0.02 0.62 -0.33 0.00 -1.05 0.00 0.00 178.15 177.41 3a0h h ALA 26 N 0.75 -0.28 -0.31 0.16 0.00 -0.67 -1.91 119.26 117.01 3a0h h ALA 26 Ca -0.03 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3a0h h ALA 26 Cb 1.31 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 3a0h h ALA 26 CO 0.14 -0.77 -0.01 0.52 0.00 0.00 0.00 179.25 179.13 3a0h h MET 27 N -0.32 0.07 -0.76 0.00 2.86 -1.64 -2.08 114.93 113.07 3a0h h MET 27 Ca 0.14 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3a0h h MET 27 Cb 0.55 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 3a0h h MET 27 CO -0.47 0.05 0.44 -0.84 1.06 0.00 0.00 176.91 177.15 3a0h h ILE 28 N 0.07 1.22 -0.37 -1.22 3.07 -1.57 -1.41 117.51 117.30 3a0h h ILE 28 Ca 0.15 -0.51 -0.05 0.00 1.55 0.00 0.00 64.86 66.00 3a0h h ILE 28 Cb 0.21 0.17 -0.02 0.00 -0.27 0.00 0.00 36.82 36.91 3a0h h ILE 28 CO -0.27 0.23 0.00 1.23 -1.05 0.00 0.00 178.15 178.30 3a0h h GLY 29 N 1.08 0.63 -2.03 0.16 0.00 -0.69 -2.18 103.07 100.04 3a0h h GLY 29 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a0h h GLY 29 CO -0.05 0.35 0.00 4.51 0.00 0.00 0.00 176.54 181.36 3a0h n ILE 30 N -4.27 0.68 -0.10 2.60 0.00 -0.89 -4.06 119.36 113.33 3a0h n ILE 30 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 62.75 61.90 3a0h n ILE 30 Cb 0.26 0.48 -0.04 0.00 0.00 0.00 0.00 39.64 40.34 3a0h n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a0h h ALA 31 N 4.14 0.50 -0.08 1.51 0.00 -0.59 -3.05 119.26 121.68 3a0h h ALA 31 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3a0h h ALA 31 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a0h h ALA 31 CO 0.00 0.66 -0.18 0.78 0.00 0.00 0.00 179.25 180.52 3a0h h GLY 32 N 0.70 0.28 2.00 0.00 0.00 -1.70 -3.07 103.07 101.28 3a0h h GLY 32 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3a0h h GLY 32 CO 0.11 0.31 -0.01 -0.56 0.00 0.00 0.00 176.54 176.39 3a0h h PRO 33 N -0.22 0.00 -0.03 4.80 0.13 -1.79 -2.41 132.00 132.47 3a0h h PRO 33 Ca -0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 3a0h h PRO 33 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3a0h h PRO 33 CO 0.04 0.01 -0.46 1.98 -0.23 0.00 0.00 178.00 179.34 3a0h h MET 34 N 0.00 0.07 -0.23 0.86 4.05 -1.47 -1.30 114.93 116.91 3a0h h MET 34 Ca -0.00 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 3a0h h MET 34 Cb 0.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3a0h h MET 34 CO 0.00 0.51 -0.38 0.97 0.23 0.00 0.00 176.91 178.25 3a0h h ILE 35 N 0.05 1.30 -0.63 1.77 -0.00 -1.34 0.18 117.51 118.83 3a0h h ILE 35 Ca 0.00 -1.52 -0.06 0.00 -0.00 0.00 0.00 64.86 63.28 3a0h h ILE 35 Cb 0.83 1.53 -0.03 0.00 -0.00 0.00 0.00 36.82 39.15 3a0h h ILE 35 CO 0.06 0.48 0.14 0.40 -0.00 0.00 0.00 178.15 179.23 3a0h h ILE 36 N 0.44 1.26 0.16 2.19 5.03 -1.35 -0.77 117.51 124.47 3a0h h ILE 36 Ca 0.04 -0.95 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 3a0h h ILE 36 Cb 0.86 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.30 3a0h h ILE 36 CO 0.07 0.36 -0.08 0.15 -0.68 0.00 0.00 178.15 177.97 3a0h h PHE 37 N 0.94 -0.20 0.00 1.37 3.57 -0.86 0.12 116.94 121.88 3a0h h PHE 37 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3a0h h PHE 37 Cb 0.38 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3a0h h PHE 37 CO 0.03 0.15 0.04 -0.07 -2.23 0.00 0.00 178.31 176.23 3a0h h LEU 38 N -0.59 0.00 0.02 0.59 3.38 -0.59 0.87 115.31 119.01 3a0h h LEU 38 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 3a0h h LEU 38 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3a0h h LEU 38 CO 0.04 0.00 -1.66 -0.07 0.09 0.00 0.00 178.44 176.83 3a0h h LEU 39 N 0.00 0.08 0.79 1.67 3.38 -0.77 -3.22 115.31 117.24 3a0h h LEU 39 Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3a0h h LEU 39 Cb 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3a0h h LEU 39 CO 0.00 1.14 -0.38 0.00 0.09 0.00 0.00 178.44 179.29 3a0h h ALA 40 N 0.85 -1.06 0.21 1.53 0.00 0.17 -2.66 119.26 118.30 3a0h h ALA 40 Ca -0.27 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3a0h h ALA 40 Cb 1.99 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 20.16 3a0h h ALA 40 CO 0.09 -1.09 -0.32 -0.39 0.00 0.00 0.00 179.25 177.54 3a0h h VAL 41 N -1.07 0.33 0.00 0.00 -1.51 -1.60 -3.33 116.25 109.08 3a0h h VAL 41 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3a0h h VAL 41 Cb 0.81 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 3a0h h VAL 41 CO 0.18 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.06 3a0h n ARG 42 N -5.42 0.00 0.00 5.19 3.00 -1.22 -5.04 116.66 113.17 3a0h n ARG 42 Ca -0.08 0.33 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 3a0h n ARG 42 Cb 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.49 3a0h n ARG 42 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3a0h n ARG 43 N -1.50 0.00 0.00 5.56 0.00 -1.01 -5.10 116.66 114.61 3a0h n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3a0h n ARG 43 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3a0h n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3a0h n GLY 44 N 0.00 0.00 3.15 2.89 0.00 -1.26 -4.61 105.19 105.36 3a0h n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a0h n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a0h n ASN 45 N 0.00 0.00 -0.38 1.61 4.05 -1.26 -5.00 115.26 114.28 3a0h n ASN 45 Ca 0.00 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.08 3a0h n ASN 45 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 3a0h n ASN 45 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39