#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 -0.58 0.77 2.98 2.34 -1.26 -5.11 118.68 117.81 1und s LEU 2 Ca 0.00 0.92 -0.16 0.00 0.06 0.00 0.00 54.13 54.95 1und s LEU 2 Cb 0.00 1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 47.42 1und s LEU 2 CO 0.00 -0.14 0.35 -1.54 -1.06 0.00 0.00 176.35 173.95 1und n SER 3 N 3.85 -1.93 0.24 1.48 3.41 -1.26 -4.49 113.62 114.93 1und n SER 3 Ca -0.18 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.11 1und n SER 3 Cb 0.58 -1.15 0.87 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.59 0.00 0.01 4.33 3.07 -2.02 0.25 114.58 119.63 1und h GLU 4 Ca -0.45 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.39 1und h GLU 4 Cb 1.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1und h GLU 4 CO 0.40 0.00 -0.14 1.96 -1.40 0.00 0.00 179.01 179.83 1und h GLN 5 N 0.00 0.01 -0.71 2.33 7.50 -2.00 -3.10 115.11 119.13 1und h GLN 5 Ca 0.06 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.24 1und h GLN 5 Cb 0.36 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 1und h GLN 5 CO -0.00 1.01 0.47 -0.44 -1.50 0.00 0.00 178.83 178.37 1und h ASP 6 N -0.97 0.69 0.03 1.46 5.19 -1.66 -1.32 116.42 119.83 1und h ASP 6 Ca -0.03 -0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1und h ASP 6 Cb 1.05 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.36 1und h ASP 6 CO -0.01 0.46 -0.44 0.15 -3.12 0.00 0.00 179.24 176.28 1und h PHE 7 N 0.80 -1.25 -0.22 4.55 3.04 -0.67 -1.21 116.94 121.97 1und h PHE 7 Ca 0.30 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.31 1und h PHE 7 Cb 0.17 0.54 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1und h PHE 7 CO -0.00 -0.52 0.15 0.28 -2.02 0.00 0.00 178.31 176.20 1und h VAL 8 N -0.61 1.00 -0.08 1.41 2.07 -1.17 0.43 116.25 119.30 1und h VAL 8 Ca 0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1und h VAL 8 Cb 0.67 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1und h VAL 8 CO -0.31 0.04 -0.01 -1.28 0.02 0.00 0.00 177.57 176.03 1und h SER 9 N 0.21 0.15 0.45 0.57 0.87 -0.94 -0.03 113.55 114.83 1und h SER 9 Ca 0.09 -0.34 -0.17 0.00 -1.23 0.00 0.00 61.79 60.14 1und h SER 9 Cb 0.11 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1und h SER 9 CO -0.02 0.46 -0.73 0.58 -0.53 0.00 0.00 176.83 176.59 1und h VAL 10 N -0.16 1.43 0.19 2.23 2.07 -0.17 -3.29 116.25 118.55 1und h VAL 10 Ca 0.02 -2.26 -0.34 0.00 0.82 0.00 0.00 66.70 64.95 1und h VAL 10 Cb 0.39 2.20 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1und h VAL 10 CO 0.01 0.66 -1.62 -0.26 0.02 0.00 0.00 177.57 176.38 1und h PHE 11 N 0.16 0.71 0.00 1.57 -1.00 -0.25 -3.49 116.94 114.65 1und h PHE 11 Ca -0.02 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1und h PHE 11 Cb 1.29 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1und h PHE 11 CO 0.03 1.57 0.00 0.41 -1.61 0.00 0.00 178.31 178.70 1und n GLY 12 N 1.77 0.47 3.25 -1.45 0.00 -0.03 -5.03 105.19 104.18 1und n GLY 12 Ca -0.20 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 0.02 0.81 -0.61 -4.36 -1.23 -5.06 121.20 108.77 1und s ILE 13 Ca 0.00 -0.15 -0.11 0.00 -0.26 0.00 0.00 60.65 60.13 1und s ILE 13 Cb 0.00 -0.55 0.08 0.00 1.25 0.00 0.00 42.46 43.24 1und s ILE 13 CO 0.00 -0.08 1.12 0.28 0.24 0.00 0.00 174.94 176.50 1und s THR 14 N -0.32 2.79 0.27 8.37 -1.32 -1.26 -4.48 115.64 119.69 1und s THR 14 Ca -0.05 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1und s THR 14 Cb -0.03 -2.62 0.25 0.00 -1.51 0.00 0.00 72.50 68.59 1und s THR 14 CO 0.02 -0.32 1.78 -0.09 -2.21 0.00 0.00 174.62 173.80 1und h ARG 15 N -1.19 0.68 0.33 7.08 2.43 -1.97 0.16 114.38 121.89 1und h ARG 15 Ca -0.44 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1und h ARG 15 Cb 1.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1und h ARG 15 CO 0.48 0.45 -0.16 0.78 -1.51 0.00 0.00 179.97 180.01 1und h GLY 16 N 0.70 -0.47 1.40 2.80 0.00 -1.99 -1.73 103.07 103.78 1und h GLY 16 Ca 0.48 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.91 1und h GLY 16 CO -0.35 -0.17 -0.02 -1.61 0.00 0.00 0.00 176.54 174.40 1und h GLN 17 N -0.69 0.73 -0.13 4.80 4.15 -1.85 -1.95 115.11 120.17 1und h GLN 17 Ca -0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1und h GLN 17 Cb 0.48 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1und h GLN 17 CO 0.08 0.76 0.07 0.35 -1.93 0.00 0.00 178.83 178.15 1und h PHE 18 N 0.68 0.19 0.00 3.99 3.04 -0.70 0.09 116.94 124.24 1und h PHE 18 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1und h PHE 18 Cb 0.45 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.90 1und h PHE 18 CO 0.02 0.22 0.00 0.00 -2.02 0.00 0.00 178.31 176.54 1und h ALA 19 N 0.94 1.00 0.11 2.41 0.00 -1.01 -2.22 119.26 120.49 1und h ALA 19 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1und h ALA 19 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1und h ALA 19 CO -0.01 0.00 -1.54 0.00 0.00 0.00 0.00 179.25 177.71 1und h ALA 20 N 2.02 0.29 -2.89 0.00 0.00 -0.72 -3.47 119.26 114.48 1und h ALA 20 Ca 0.00 -1.12 -0.55 0.00 0.00 0.00 0.00 54.91 53.24 1und h ALA 20 Cb 0.24 0.29 0.16 0.00 0.00 0.00 0.00 17.79 18.47 1und h ALA 20 CO 0.00 1.16 0.45 -0.51 0.00 0.00 0.00 179.25 180.35 1und s LEU 21 N -6.95 3.45 0.49 0.00 1.43 -0.04 -4.94 118.68 112.13 1und s LEU 21 Ca -0.09 2.50 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 1und s LEU 21 Cb 0.07 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 1und s LEU 21 CO 0.85 -2.14 0.97 -2.65 0.23 0.00 0.00 176.35 173.61 1und n PRO 22 N -2.30 1.17 -0.24 1.29 -0.02 -1.26 -4.73 135.00 128.91 1und n PRO 22 Ca 0.15 0.43 0.22 0.00 -2.02 0.00 0.00 63.50 62.28 1und n PRO 22 Cb 0.49 -2.08 0.56 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.12 0.70 0.62 -1.23 0.00 -1.93 -0.19 103.07 102.17 1und h GLY 23 Ca -0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1und h GLY 23 CO 0.54 -0.02 -0.04 0.11 0.00 0.00 0.00 176.54 177.13 1und h TRP 24 N 0.30 -0.11 -0.34 5.60 5.08 -1.99 -1.31 115.95 123.17 1und h TRP 24 Ca 0.48 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.42 1und h TRP 24 Cb 1.36 0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 27.54 1und h TRP 24 CO -0.00 0.26 0.12 -0.22 -1.28 0.00 0.00 178.44 177.32 1und h LYS 25 N -0.51 0.48 0.70 0.12 1.63 -1.60 0.11 116.57 117.50 1und h LYS 25 Ca -0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1und h LYS 25 Cb 0.42 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1und h LYS 25 CO 0.02 0.42 -0.34 1.96 -3.45 0.00 0.00 179.45 178.06 1und h GLN 26 N 0.48 -0.91 -0.78 1.90 4.20 -1.00 -1.11 115.11 117.89 1und h GLN 26 Ca 0.12 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1und h GLN 26 Cb 0.13 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1und h GLN 26 CO -0.01 -0.58 0.34 1.37 -0.67 0.00 0.00 178.83 179.28 1und h LEU 27 N -1.04 1.04 0.24 1.46 8.10 -0.93 -1.84 115.31 122.34 1und h LEU 27 Ca -0.10 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 57.75 1und h LEU 27 Cb 0.75 -0.27 -0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1und h LEU 27 CO 0.16 0.90 -0.15 -0.61 -4.11 0.00 0.00 178.44 174.63 1und h GLN 28 N 1.11 -0.37 -0.69 0.17 4.15 -0.97 -2.40 115.11 116.11 1und h GLN 28 Ca 0.26 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.79 1und h GLN 28 Cb 0.16 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.87 1und h GLN 28 CO -0.03 -0.24 0.35 0.52 -1.93 0.00 0.00 178.83 177.50 1und h MET 29 N -0.38 0.60 -0.06 1.69 2.86 -0.86 0.50 114.93 119.28 1und h MET 29 Ca -0.02 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1und h MET 29 Cb 0.32 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1und h MET 29 CO 0.02 0.40 -0.13 0.87 1.06 0.00 0.00 176.91 179.13 1und h LYS 30 N 0.62 -0.18 -0.46 1.72 1.57 -1.16 -0.50 116.57 118.18 1und h LYS 30 Ca 0.33 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1und h LYS 30 Cb 0.32 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1und h LYS 30 CO -0.24 -0.12 0.30 0.87 -0.57 0.00 0.00 179.45 179.68 1und h LYS 31 N -0.18 0.61 0.41 3.15 1.57 -0.94 -1.43 116.57 119.76 1und h LYS 31 Ca 0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1und h LYS 31 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1und h LYS 31 CO -0.17 0.42 -0.20 0.93 -0.57 0.00 0.00 179.45 179.86 1und h GLU 32 N 0.62 -0.53 -0.20 3.15 5.08 -0.57 0.10 114.58 122.23 1und h GLU 32 Ca 0.17 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1und h GLU 32 Cb -0.05 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1und h GLU 32 CO -0.03 -0.24 0.14 0.87 -1.00 0.00 0.00 179.01 178.75 1und h LYS 33 N -0.79 0.00 0.00 2.33 6.56 -1.17 -3.04 116.57 120.47 1und h LYS 33 Ca -0.06 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1und h LYS 33 Cb 0.53 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1und h LYS 33 CO 0.09 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.90 1und n GLY 34 N -1.58 -2.38 2.04 3.86 0.00 -0.54 -4.91 105.19 101.68 1und n GLY 34 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.06 -1.20 0.00 0.99 -0.00 0.30 -5.08 117.00 111.95 1und n LEU 35 Ca 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 56.01 53.26 1und n LEU 35 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1und n LEU 35 CO 0.00 1.61 0.09 0.49 -0.00 0.00 0.00 177.39 179.58