#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unc n SER 2 N 0.00 -9.06 0.01 1.45 3.41 -1.26 -4.38 113.62 103.79 1unc n SER 2 Ca 0.00 1.43 0.21 0.00 -0.26 0.00 0.00 58.87 60.25 1unc n SER 2 Cb 0.00 -5.17 0.71 0.00 -0.26 0.00 0.00 64.21 59.49 1unc n SER 2 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1unc h ILE 3 N 4.48 0.64 -0.81 -1.33 2.04 -2.06 -0.45 117.51 120.02 1unc h ILE 3 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1unc h ILE 3 Cb 0.00 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1unc h ILE 3 CO 0.00 0.00 0.38 -0.08 0.00 0.00 0.00 178.15 178.45 1unc h GLU 4 N 0.00 1.17 -0.10 2.37 4.81 -2.00 -2.31 114.58 118.52 1unc h GLU 4 Ca 0.25 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1unc h GLU 4 Cb 1.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1unc h GLU 4 CO -0.00 0.90 0.04 0.22 -0.73 0.00 0.00 179.01 179.44 1unc h ASP 5 N 1.15 0.14 0.36 1.04 3.58 -1.27 -0.65 116.42 120.77 1unc h ASP 5 Ca 0.28 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1unc h ASP 5 Cb 0.13 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1unc h ASP 5 CO -0.03 0.27 -0.46 0.15 -2.88 0.00 0.00 179.24 176.29 1unc h PHE 6 N 0.01 -1.29 -0.14 0.28 3.57 -1.60 -2.30 116.94 115.47 1unc h PHE 6 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1unc h PHE 6 Cb 0.17 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1unc h PHE 6 CO -0.02 -0.58 -0.08 1.79 -2.23 0.00 0.00 178.31 177.19 1unc h THR 7 N -0.84 0.74 -0.46 4.41 1.35 -1.32 0.25 112.91 117.06 1unc h THR 7 Ca -0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.69 1unc h THR 7 Cb 0.75 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1unc h THR 7 CO -0.11 0.00 -0.22 0.06 -0.25 0.00 0.00 175.52 175.00 1unc h GLN 8 N -0.08 0.95 0.13 4.72 3.07 -1.14 -0.77 115.11 121.99 1unc h GLN 8 Ca 0.08 -0.42 -0.28 0.00 0.09 0.00 0.00 58.65 58.13 1unc h GLN 8 Cb 0.20 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.74 1unc h GLN 8 CO -0.19 1.08 -1.23 0.00 0.09 0.00 0.00 178.83 178.58 1unc h ALA 9 N 0.85 0.09 0.10 0.06 0.00 -1.32 -3.38 119.26 115.66 1unc h ALA 9 Ca 0.10 -0.85 -0.28 0.00 0.00 0.00 0.00 54.91 53.88 1unc h ALA 9 Cb 0.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1unc h ALA 9 CO 0.07 0.90 -1.44 0.35 0.00 0.00 0.00 179.25 179.13 1unc h PHE 10 N 0.11 0.40 0.00 0.00 3.04 -0.93 -3.49 116.94 116.07 1unc h PHE 10 Ca -0.15 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1unc h PHE 10 Cb 1.94 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.44 1unc h PHE 10 CO 0.07 1.56 0.00 0.41 -2.02 0.00 0.00 178.31 178.34 1unc n GLY 11 N 1.74 0.61 3.20 2.40 0.00 -0.30 -5.07 105.19 107.77 1unc n GLY 11 Ca -0.26 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1unc n GLY 11 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1unc s MET 12 N -2.81 0.98 0.35 1.61 0.00 -1.26 -5.10 119.30 113.08 1unc s MET 12 Ca 0.00 -1.35 -0.25 0.00 0.00 0.00 0.00 55.69 54.08 1unc s MET 12 Cb 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 34.83 35.02 1unc s MET 12 CO 0.00 -0.30 1.00 -0.08 0.00 0.00 0.00 175.02 175.63 1unc s THR 13 N -4.02 3.97 0.24 10.11 -1.32 -1.26 -4.22 115.64 119.14 1unc s THR 13 Ca 0.21 1.60 0.35 0.00 -1.21 0.00 0.00 61.69 62.64 1unc s THR 13 Cb 0.06 -3.87 0.38 0.00 -1.51 0.00 0.00 72.50 67.57 1unc s THR 13 CO 0.01 0.10 2.05 1.55 -2.21 0.00 0.00 174.62 176.12 1unc h PRO 14 N 2.94 0.00 -0.04 7.08 0.13 -1.97 -1.79 132.00 138.35 1unc h PRO 14 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1unc h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1unc h PRO 14 CO 0.64 0.03 -0.11 0.00 -0.23 0.00 0.00 178.00 178.33 1unc h ALA 15 N 1.97 0.07 -0.68 -0.56 0.00 -1.98 0.62 119.26 118.69 1unc h ALA 15 Ca -0.00 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1unc h ALA 15 Cb 0.42 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1unc h ALA 15 CO 0.00 -0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.54 1unc h ALA 16 N 0.43 0.92 -0.06 0.00 0.00 -1.93 -1.67 119.26 116.95 1unc h ALA 16 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1unc h ALA 16 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1unc h ALA 16 CO 0.02 -0.05 0.02 0.35 0.00 0.00 0.00 179.25 179.59 1unc h PHE 17 N 0.59 0.04 0.00 0.00 3.57 -1.28 -3.09 116.94 116.76 1unc h PHE 17 Ca 0.33 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 1unc h PHE 17 Cb 0.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1unc h PHE 17 CO -0.11 0.02 -0.20 1.03 -2.23 0.00 0.00 178.31 176.82 1unc h SER 18 N 0.05 0.00 -0.43 0.41 0.87 -0.26 -2.13 113.55 112.05 1unc h SER 18 Ca 0.02 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1unc h SER 18 Cb 0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1unc h SER 18 CO -0.03 0.20 0.30 0.00 -0.53 0.00 0.00 176.83 176.77 1unc h ALA 19 N 1.80 2.03 -2.30 6.23 0.00 -1.24 -3.43 119.26 122.35 1unc h ALA 19 Ca -0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 1unc h ALA 19 Cb 0.42 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.20 1unc h ALA 19 CO 0.03 -0.12 0.39 -0.51 0.00 0.00 0.00 179.25 179.04 1unc s LEU 20 N -9.23 3.40 0.35 0.00 1.43 -0.80 -5.01 118.68 108.82 1unc s LEU 20 Ca -0.07 1.59 -0.28 0.00 -1.03 0.00 0.00 54.13 54.34 1unc s LEU 20 Cb 0.19 -4.50 -0.12 0.00 0.03 0.00 0.00 46.19 41.79 1unc s LEU 20 CO 0.73 -0.95 1.35 -0.81 0.23 0.00 0.00 176.35 176.89 1unc n PRO 21 N -2.29 2.29 -0.14 1.29 -0.04 -1.26 -4.80 135.00 130.05 1unc n PRO 21 Ca 0.07 0.80 0.11 0.00 -0.04 0.00 0.00 63.50 64.44 1unc n PRO 21 Cb 0.54 -2.43 0.45 0.00 -0.04 0.00 0.00 33.50 32.02 1unc n PRO 21 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1unc h ARG 22 N 2.67 0.51 -0.28 0.54 9.65 -1.92 -1.70 114.38 123.85 1unc h ARG 22 Ca -0.47 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.36 1unc h ARG 22 Cb 1.27 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1unc h ARG 22 CO 0.63 0.34 0.11 0.11 2.80 0.00 0.00 179.97 183.95 1unc h TRP 23 N 0.52 0.42 0.39 2.20 5.08 -2.00 -2.44 115.95 120.13 1unc h TRP 23 Ca 0.32 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.23 1unc h TRP 23 Cb 0.54 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1unc h TRP 23 CO -0.00 0.43 -0.19 -0.22 -1.28 0.00 0.00 178.44 177.18 1unc h LYS 24 N 0.29 -0.50 -0.73 0.12 3.64 -1.70 -1.67 116.57 116.02 1unc h LYS 24 Ca 0.09 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1unc h LYS 24 Cb 0.19 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 1unc h LYS 24 CO -0.01 -0.19 -0.39 0.94 -2.27 0.00 0.00 179.45 177.53 1unc n GLN 25 N -5.18 -0.28 -0.15 1.90 7.27 -0.90 -0.69 117.38 119.35 1unc n GLN 25 Ca -0.10 1.11 -0.12 0.00 0.07 0.00 0.00 57.00 57.96 1unc n GLN 25 Cb 0.28 -1.64 -0.01 0.00 2.41 0.00 0.00 30.24 31.29 1unc n GLN 25 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1unc h GLN 26 N 0.00 0.98 -0.58 3.69 -0.00 -1.35 -2.69 115.11 115.16 1unc h GLN 26 Ca 0.15 -0.45 0.06 0.00 -0.00 0.00 0.00 58.65 58.42 1unc h GLN 26 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.77 1unc h GLN 26 CO -0.70 1.12 0.39 -0.97 0.00 0.00 0.00 178.83 178.67 1unc h ASN 27 N 0.82 0.47 0.36 -0.69 -1.24 -0.13 -0.96 115.58 114.20 1unc h ASN 27 Ca 0.09 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1unc h ASN 27 Cb 0.86 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1unc h ASN 27 CO 0.08 0.31 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.12 1unc h LEU 28 N 0.54 -0.88 -0.83 0.34 3.38 -0.55 0.45 115.31 117.75 1unc h LEU 28 Ca 0.25 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1unc h LEU 28 Cb 0.31 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1unc h LEU 28 CO -0.07 -0.47 0.46 0.50 0.09 0.00 0.00 178.44 178.95 1unc h LYS 29 N -0.70 1.16 -0.31 1.13 3.64 -1.48 -0.99 116.57 119.01 1unc h LYS 29 Ca -0.02 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 1unc h LYS 29 Cb 0.63 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1unc h LYS 29 CO -0.05 0.85 -0.37 0.87 -2.27 0.00 0.00 179.45 178.48 1unc h LYS 30 N 1.16 0.80 -0.42 1.90 1.79 -1.04 0.71 116.57 121.46 1unc h LYS 30 Ca 0.29 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1unc h LYS 30 Cb 0.02 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1unc h LYS 30 CO -0.05 1.08 0.20 0.93 -1.08 0.00 0.00 179.45 180.53 1unc h GLU 31 N 0.57 0.61 0.00 3.15 5.08 -0.77 -2.39 114.58 120.84 1unc h GLU 31 Ca 0.04 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1unc h GLU 31 Cb 0.96 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1unc h GLU 31 CO 0.09 0.53 -0.17 0.87 -1.00 0.00 0.00 179.01 179.33 1unc h LYS 32 N 0.54 0.00 0.00 2.33 1.57 -1.07 -3.47 116.57 116.47 1unc h LYS 32 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1unc h LYS 32 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1unc h LYS 32 CO -0.02 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1unc n GLY 33 N -0.94 0.70 0.00 3.86 0.00 0.20 -5.02 105.19 103.99 1unc n GLY 33 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1unc n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1unc n LEU 34 N 0.00 0.61 0.00 0.99 4.32 -0.95 -5.02 117.00 116.96 1unc n LEU 34 Ca 0.00 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1unc n LEU 34 Cb 0.00 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1unc n LEU 34 CO 0.00 -0.26 0.00 2.22 -1.22 0.00 0.00 177.39 178.13