#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1und s LEU 2 N 0.00 -0.55 0.62 -3.48 2.34 -1.26 -5.11 118.68 111.25 1und s LEU 2 Ca 0.00 0.87 -0.17 0.00 0.06 0.00 0.00 54.13 54.88 1und s LEU 2 Cb 0.00 1.79 -0.09 0.00 -0.56 0.00 0.00 46.19 47.33 1und s LEU 2 CO 0.00 -0.14 0.37 -1.54 -1.06 0.00 0.00 176.35 173.98 1und n SER 3 N 3.82 -1.71 0.26 1.48 3.41 -1.26 -4.48 113.62 115.14 1und n SER 3 Ca -0.18 0.66 0.18 0.00 -0.26 0.00 0.00 58.87 59.27 1und n SER 3 Cb 0.57 -1.12 0.91 0.00 -0.26 0.00 0.00 64.21 64.32 1und n SER 3 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1und h GLU 4 N -0.02 0.00 0.04 4.33 5.08 -2.02 0.22 114.58 122.22 1und h GLU 4 Ca -0.45 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 1und h GLU 4 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1und h GLU 4 CO 0.44 0.00 -0.60 1.96 -1.00 0.00 0.00 179.01 179.81 1und h GLN 5 N 0.00 0.09 -0.27 2.33 7.50 -2.01 -3.24 115.11 119.51 1und h GLN 5 Ca 0.05 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.05 1und h GLN 5 Cb 0.43 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1und h GLN 5 CO -0.00 1.07 0.18 -0.44 -1.50 0.00 0.00 178.83 178.14 1und h ASP 6 N -0.78 0.31 0.01 1.46 5.19 -1.59 -1.39 116.42 119.61 1und h ASP 6 Ca -0.14 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1und h ASP 6 Cb 1.29 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1und h ASP 6 CO -0.00 0.23 -0.39 0.15 -3.12 0.00 0.00 179.24 176.11 1und h PHE 7 N 0.37 -1.08 -0.52 4.55 3.04 -0.75 -1.69 116.94 120.85 1und h PHE 7 Ca 0.10 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.23 1und h PHE 7 Cb -0.04 0.47 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1und h PHE 7 CO 0.00 -0.47 0.37 0.28 -2.02 0.00 0.00 178.31 176.47 1und h VAL 8 N -0.55 0.75 -0.12 1.41 2.07 -1.28 0.38 116.25 118.92 1und h VAL 8 Ca 0.05 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1und h VAL 8 Cb 0.63 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1und h VAL 8 CO -0.30 0.01 -0.05 -1.28 0.02 0.00 0.00 177.57 175.96 1und h SER 9 N 0.03 0.26 0.65 0.57 0.87 -1.18 -0.56 113.55 114.19 1und h SER 9 Ca 0.25 -0.41 -0.21 0.00 -1.23 0.00 0.00 61.79 60.19 1und h SER 9 Cb 0.94 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1und h SER 9 CO -0.01 0.61 -0.96 0.58 -0.53 0.00 0.00 176.83 176.52 1und h VAL 10 N -0.10 1.53 0.12 2.23 2.07 -0.57 -3.34 116.25 118.19 1und h VAL 10 Ca 0.03 -2.81 -0.31 0.00 0.82 0.00 0.00 66.70 64.43 1und h VAL 10 Cb 0.51 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1und h VAL 10 CO 0.02 0.82 -1.62 -0.26 0.02 0.00 0.00 177.57 176.54 1und h PHE 11 N 0.09 0.46 0.00 1.57 -1.00 -0.40 -3.49 116.94 114.17 1und h PHE 11 Ca -0.05 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1und h PHE 11 Cb 1.62 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.16 1und h PHE 11 CO 0.03 1.64 0.00 0.41 -1.61 0.00 0.00 178.31 178.78 1und n GLY 12 N 1.80 0.63 2.96 -1.45 0.00 -0.22 -5.03 105.19 103.89 1und n GLY 12 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1und n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1und s ILE 13 N -2.39 0.33 0.83 -0.61 -4.36 -1.26 -5.06 121.20 108.68 1und s ILE 13 Ca 0.00 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.92 1und s ILE 13 Cb 0.00 -0.32 0.09 0.00 1.25 0.00 0.00 42.46 43.48 1und s ILE 13 CO 0.00 -0.03 1.09 0.28 0.24 0.00 0.00 174.94 176.52 1und s THR 14 N -0.39 3.03 0.25 8.37 -1.32 -1.26 -4.54 115.64 119.78 1und s THR 14 Ca -0.02 0.34 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1und s THR 14 Cb -0.03 -2.85 0.23 0.00 -1.51 0.00 0.00 72.50 68.34 1und s THR 14 CO -0.00 -0.44 1.71 -0.09 -2.21 0.00 0.00 174.62 173.59 1und h ARG 15 N -1.30 0.35 0.43 7.08 9.65 -1.98 0.13 114.38 128.74 1und h ARG 15 Ca -0.46 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.37 1und h ARG 15 Cb 1.26 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1und h ARG 15 CO 0.53 0.23 -0.21 0.78 2.80 0.00 0.00 179.97 184.11 1und h GLY 16 N 0.36 -0.60 1.58 2.80 0.00 -1.98 -0.99 103.07 104.24 1und h GLY 16 Ca 0.42 0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.87 1und h GLY 16 CO -0.45 -0.22 -0.30 -1.61 0.00 0.00 0.00 176.54 173.96 1und h GLN 17 N -0.70 0.48 -0.26 4.80 4.15 -1.86 -1.90 115.11 119.82 1und h GLN 17 Ca -0.06 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1und h GLN 17 Cb 0.51 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1und h GLN 17 CO 0.10 0.73 0.01 0.35 -1.93 0.00 0.00 178.83 178.09 1und h PHE 18 N 0.42 0.48 0.00 3.99 3.57 -0.73 -0.56 116.94 124.11 1und h PHE 18 Ca 0.05 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1und h PHE 18 Cb 0.74 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1und h PHE 18 CO 0.02 0.59 0.00 0.00 -2.23 0.00 0.00 178.31 176.70 1und h ALA 19 N 0.83 1.00 0.16 2.41 0.00 -0.99 -2.38 119.26 120.28 1und h ALA 19 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 1und h ALA 19 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1und h ALA 19 CO 0.01 0.00 -1.50 0.00 0.00 0.00 0.00 179.25 177.76 1und h ALA 20 N 2.01 0.14 -3.06 0.00 0.00 -0.84 -3.47 119.26 114.05 1und h ALA 20 Ca 0.00 -1.03 -0.55 0.00 0.00 0.00 0.00 54.91 53.33 1und h ALA 20 Cb 0.26 0.24 0.15 0.00 0.00 0.00 0.00 17.79 18.44 1und h ALA 20 CO 0.00 1.01 0.55 -0.51 0.00 0.00 0.00 179.25 180.30 1und s LEU 21 N -7.17 3.68 0.49 0.00 1.43 -0.27 -4.94 118.68 111.90 1und s LEU 21 Ca -0.09 2.67 -0.22 0.00 -1.03 0.00 0.00 54.13 55.46 1und s LEU 21 Cb 0.06 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1und s LEU 21 CO 0.88 -1.83 0.89 -2.65 0.23 0.00 0.00 176.35 173.87 1und n PRO 22 N -1.57 1.05 -0.15 1.29 -0.02 -1.26 -4.71 135.00 129.63 1und n PRO 22 Ca 0.14 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 62.18 1und n PRO 22 Cb 0.47 -1.98 0.54 0.00 -0.02 0.00 0.00 33.50 32.51 1und n PRO 22 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1und h GLY 23 N 1.01 0.60 0.75 -1.23 0.00 -1.92 0.36 103.07 102.64 1und h GLY 23 Ca -0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1und h GLY 23 CO 0.53 0.04 -0.10 0.11 0.00 0.00 0.00 176.54 177.12 1und h TRP 24 N 0.34 -0.27 -0.19 5.60 5.08 -1.99 -1.62 115.95 122.89 1und h TRP 24 Ca 0.37 -0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.31 1und h TRP 24 Cb 0.96 0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 27.20 1und h TRP 24 CO -0.00 0.01 -0.00 -0.22 -1.28 0.00 0.00 178.44 176.95 1und h LYS 25 N -0.55 0.28 0.75 0.12 1.63 -1.47 0.13 116.57 117.46 1und h LYS 25 Ca -0.03 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1und h LYS 25 Cb 0.41 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1und h LYS 25 CO 0.05 0.31 -0.36 1.96 -3.45 0.00 0.00 179.45 177.96 1und h GLN 26 N 0.28 -0.97 -0.56 1.90 4.20 -0.91 -0.46 115.11 118.59 1und h GLN 26 Ca 0.07 0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1und h GLN 26 Cb 0.20 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1und h GLN 26 CO 0.00 -0.63 0.25 1.37 -0.67 0.00 0.00 178.83 179.16 1und h LEU 27 N -1.10 0.72 0.12 1.46 8.10 -0.88 -2.99 115.31 120.74 1und h LEU 27 Ca -0.10 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 1und h LEU 27 Cb 0.79 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 1und h LEU 27 CO 0.17 0.63 -0.06 -0.61 -4.11 0.00 0.00 178.44 174.46 1und h GLN 28 N 0.80 -0.16 -0.52 0.17 -0.00 -0.68 -2.91 115.11 111.81 1und h GLN 28 Ca 0.20 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.96 1und h GLN 28 Cb 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 27.48 27.53 1und h GLN 28 CO -0.02 0.11 -0.10 0.52 0.00 0.00 0.00 178.83 179.34 1und h MET 29 N -0.42 0.02 -0.44 1.69 2.86 -0.95 0.83 114.93 118.52 1und h MET 29 Ca -0.02 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1und h MET 29 Cb 0.34 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 1und h MET 29 CO 0.03 0.02 0.06 0.87 1.06 0.00 0.00 176.91 178.94 1und h LYS 30 N 0.03 0.18 -0.46 1.72 1.57 -1.44 0.62 116.57 118.79 1und h LYS 30 Ca 0.25 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1und h LYS 30 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1und h LYS 30 CO -0.51 0.12 0.23 0.87 -0.57 0.00 0.00 179.45 179.59 1und h LYS 31 N 0.18 0.65 0.09 3.15 1.57 -1.20 -2.41 116.57 118.60 1und h LYS 31 Ca 0.22 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1und h LYS 31 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1und h LYS 31 CO -0.31 0.54 -0.04 0.93 -0.57 0.00 0.00 179.45 179.99 1und h GLU 32 N 0.60 -0.12 -0.96 3.15 5.08 0.20 0.14 114.58 122.68 1und h GLU 32 Ca 0.16 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.71 1und h GLU 32 Cb 0.09 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1und h GLU 32 CO -0.02 0.32 0.61 0.87 -1.00 0.00 0.00 179.01 179.78 1und h LYS 33 N -0.60 0.65 0.00 2.33 1.79 -1.04 -3.19 116.57 116.52 1und h LYS 33 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1und h LYS 33 Cb 0.49 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1und h LYS 33 CO 0.02 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.23 1und n GLY 34 N -1.41 -2.07 0.97 3.86 0.00 -0.91 -4.91 105.19 100.73 1und n GLY 34 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1und n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1und n LEU 35 N 0.00 -0.75 -0.15 0.99 -0.00 0.37 -5.09 117.00 112.38 1und n LEU 35 Ca 0.00 -1.88 0.02 0.00 -0.00 0.00 0.00 56.01 54.15 1und n LEU 35 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1und n LEU 35 CO 0.00 1.37 0.31 0.33 -0.00 0.00 0.00 177.39 179.39