#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 -0.46 0.19 -3.48 2.34 -1.26 -5.10 118.68 110.90 1und s LEU 2 Ca 0.00 0.74 -0.28 0.00 0.06 0.00 0.00 54.13 54.65 1und s LEU 2 Cb 0.00 1.67 -0.17 0.00 -0.56 0.00 0.00 46.19 47.14 1und s LEU 2 CO 0.00 -0.12 0.53 -1.20 -1.06 0.00 0.00 176.35 174.50 1und n SER 3 N 3.69 -1.18 -0.43 1.48 7.64 -1.26 -4.30 113.62 119.26 1und n SER 3 Ca -0.18 1.11 0.35 0.00 1.01 0.00 0.00 58.87 61.15 1und n SER 3 Cb 0.57 -0.93 0.63 0.00 -1.01 0.00 0.00 64.21 63.47 1und n SER 3 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1und h GLU 4 N 1.04 0.12 0.13 1.43 4.11 -2.01 0.39 114.58 119.79 1und h GLU 4 Ca -0.28 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 58.96 1und h GLU 4 Cb 1.41 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.65 1und h GLU 4 CO 0.56 0.08 -0.81 1.96 0.07 0.00 0.00 179.01 180.87 1und h GLN 5 N 0.13 0.32 -0.51 1.06 7.50 -2.00 -2.59 115.11 119.01 1und h GLN 5 Ca 0.79 -0.52 0.03 0.00 0.50 0.00 0.00 58.65 59.46 1und h GLN 5 Cb 2.42 0.19 -0.03 0.00 0.05 0.00 0.00 27.48 30.11 1und h GLN 5 CO -0.41 1.23 0.34 -0.44 -1.50 0.00 0.00 178.83 178.06 1und h ASP 6 N -0.32 0.50 0.71 1.46 5.19 -1.23 -0.79 116.42 121.94 1und h ASP 6 Ca -0.14 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1und h ASP 6 Cb 1.62 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.01 1und h ASP 6 CO 0.15 0.34 -0.45 0.15 -3.12 0.00 0.00 179.24 176.31 1und h PHE 7 N 0.58 -1.20 -0.93 4.55 3.04 -0.40 -1.96 116.94 120.62 1und h PHE 7 Ca 0.21 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.29 1und h PHE 7 Cb 0.11 0.43 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 1und h PHE 7 CO -0.00 -0.67 0.59 0.28 -2.02 0.00 0.00 178.31 176.49 1und h VAL 8 N -1.10 0.85 -0.40 1.41 2.07 -0.89 0.34 116.25 118.52 1und h VAL 8 Ca -0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1und h VAL 8 Cb 0.89 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1und h VAL 8 CO 0.09 0.14 0.23 -1.28 0.02 0.00 0.00 177.57 176.77 1und h SER 9 N 0.78 0.50 0.63 0.57 0.87 -0.95 -0.96 113.55 115.00 1und h SER 9 Ca 0.47 -0.08 -0.27 0.00 -1.23 0.00 0.00 61.79 60.68 1und h SER 9 Cb 0.67 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1und h SER 9 CO -0.23 0.43 -1.31 0.58 -0.53 0.00 0.00 176.83 175.77 1und h VAL 10 N 0.53 1.40 0.12 2.23 2.07 -0.43 -3.36 116.25 118.80 1und h VAL 10 Ca 0.14 -3.03 -0.31 0.00 0.82 0.00 0.00 66.70 64.32 1und h VAL 10 Cb 0.04 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1und h VAL 10 CO -0.02 0.87 -1.60 -0.26 0.02 0.00 0.00 177.57 176.57 1und h PHE 11 N 0.06 0.46 0.00 1.57 -1.00 -0.40 -3.48 116.94 114.15 1und h PHE 11 Ca -0.15 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.29 1und h PHE 11 Cb 1.95 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.50 1und h PHE 11 CO 0.05 1.43 0.00 0.41 -1.61 0.00 0.00 178.31 178.59 1und n GLY 12 N 1.71 0.65 2.96 -1.45 0.00 -0.37 -5.02 105.19 103.68 1und n GLY 12 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.47 0.16 0.80 -0.61 -4.36 -1.26 -5.07 121.20 108.39 1und s ILE 13 Ca 0.00 -0.67 -0.13 0.00 -0.26 0.00 0.00 60.65 59.59 1und s ILE 13 Cb 0.00 -0.25 0.08 0.00 1.25 0.00 0.00 42.46 43.54 1und s ILE 13 CO 0.00 -0.33 1.17 0.28 0.24 0.00 0.00 174.94 176.31 1und s THR 14 N -1.02 2.33 0.29 8.37 -1.32 -1.26 -4.56 115.64 118.48 1und s THR 14 Ca -0.10 0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1und s THR 14 Cb -0.07 -2.50 0.28 0.00 -1.51 0.00 0.00 72.50 68.70 1und s THR 14 CO -0.01 -0.11 1.90 -0.09 -2.21 0.00 0.00 174.62 174.10 1und h ARG 15 N -0.96 1.05 0.24 7.08 2.43 -1.99 0.26 114.38 122.49 1und h ARG 15 Ca -0.45 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1und h ARG 15 Cb 1.28 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1und h ARG 15 CO 0.47 0.69 -0.11 0.78 -1.51 0.00 0.00 179.97 180.29 1und h GLY 16 N 1.08 -0.33 1.38 2.80 0.00 -1.98 -1.68 103.07 104.34 1und h GLY 16 Ca 0.40 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 1und h GLY 16 CO -0.15 -0.12 0.01 -1.61 0.00 0.00 0.00 176.54 174.67 1und h GLN 17 N -0.59 0.76 -0.16 4.80 4.15 -1.86 -1.73 115.11 120.48 1und h GLN 17 Ca -0.03 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1und h GLN 17 Cb 0.43 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1und h GLN 17 CO 0.05 0.76 0.10 0.35 -1.93 0.00 0.00 178.83 178.16 1und h PHE 18 N 0.71 0.21 0.00 3.99 3.57 -0.96 0.28 116.94 124.74 1und h PHE 18 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1und h PHE 18 Cb 0.42 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1und h PHE 18 CO 0.02 0.18 0.00 0.00 -2.23 0.00 0.00 178.31 176.28 1und h ALA 19 N 1.01 1.00 0.12 2.41 0.00 -0.93 -2.25 119.26 120.61 1und h ALA 19 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1und h ALA 19 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1und h ALA 19 CO -0.01 0.00 -1.55 0.00 0.00 0.00 0.00 179.25 177.69 1und h ALA 20 N 2.01 0.29 -3.01 0.00 0.00 -0.64 -3.47 119.26 114.44 1und h ALA 20 Ca 0.00 -1.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.23 1und h ALA 20 Cb 0.24 0.30 0.15 0.00 0.00 0.00 0.00 17.79 18.47 1und h ALA 20 CO 0.00 1.15 0.50 -0.51 0.00 0.00 0.00 179.25 180.39 1und s LEU 21 N -6.96 3.56 0.44 0.00 1.43 0.02 -4.94 118.68 112.23 1und s LEU 21 Ca -0.09 2.56 -0.24 0.00 -1.03 0.00 0.00 54.13 55.33 1und s LEU 21 Cb 0.07 -4.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1und s LEU 21 CO 0.85 -1.98 0.95 -2.65 0.23 0.00 0.00 176.35 173.75 1und n PRO 22 N -1.95 1.21 -0.11 1.29 -0.02 -1.26 -4.73 135.00 129.44 1und n PRO 22 Ca 0.15 0.44 0.20 0.00 -2.02 0.00 0.00 63.50 62.27 1und n PRO 22 Cb 0.49 -1.98 0.61 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.36 0.34 0.62 -1.23 0.00 -1.92 0.05 103.07 102.29 1und h GLY 23 Ca -0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1und h GLY 23 CO 0.56 0.02 -0.02 0.11 0.00 0.00 0.00 176.54 177.21 1und h TRP 24 N 0.19 -0.05 -0.20 5.60 5.08 -1.99 -1.63 115.95 122.95 1und h TRP 24 Ca 0.34 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.29 1und h TRP 24 Cb 1.08 0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 1und h TRP 24 CO -0.00 0.33 0.02 -0.22 -1.28 0.00 0.00 178.44 177.29 1und h LYS 25 N -0.43 0.28 0.70 0.12 1.63 -1.49 0.10 116.57 117.49 1und h LYS 25 Ca -0.01 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1und h LYS 25 Cb 0.40 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1und h LYS 25 CO 0.01 0.29 -0.34 1.96 -3.45 0.00 0.00 179.45 177.92 1und h GLN 26 N 0.28 -0.91 -0.54 1.90 4.20 -0.97 -0.91 115.11 118.17 1und h GLN 26 Ca 0.07 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1und h GLN 26 Cb 0.16 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1und h GLN 26 CO 0.00 -0.58 0.10 1.37 -0.67 0.00 0.00 178.83 179.05 1und h LEU 27 N -1.03 0.79 0.10 1.46 8.10 -0.88 -1.79 115.31 122.05 1und h LEU 27 Ca -0.10 -0.15 0.02 0.00 0.11 0.00 0.00 57.88 57.76 1und h LEU 27 Cb 0.74 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.73 1und h LEU 27 CO 0.16 0.79 -0.21 -0.61 -4.11 0.00 0.00 178.44 174.46 1und h GLN 28 N 0.80 -0.38 -0.77 0.17 -0.00 -0.80 -1.41 115.11 112.72 1und h GLN 28 Ca 0.17 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.90 1und h GLN 28 Cb 0.34 0.09 -0.05 0.00 0.00 0.00 0.00 27.48 27.85 1und h GLN 28 CO 0.00 -0.25 0.47 0.52 0.00 0.00 0.00 178.83 179.58 1und h MET 29 N -0.39 0.87 0.06 1.69 2.86 -0.71 -0.19 114.93 119.12 1und h MET 29 Ca 0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1und h MET 29 Cb 0.42 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1und h MET 29 CO -0.13 0.57 -0.13 0.87 1.06 0.00 0.00 176.91 179.16 1und h LYS 30 N 0.89 -0.24 -0.26 1.72 1.57 -0.98 -0.64 116.57 118.64 1und h LYS 30 Ca 0.33 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1und h LYS 30 Cb 0.11 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1und h LYS 30 CO -0.15 -0.16 -0.32 1.57 -0.57 0.00 0.00 179.45 179.82 1und h LYS 31 N -0.24 0.53 0.39 3.15 2.10 -0.91 0.06 116.57 121.66 1und h LYS 31 Ca 0.03 -0.23 -0.02 0.00 -2.00 0.00 0.00 60.65 58.42 1und h LYS 31 Cb 0.27 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1und h LYS 31 CO -0.08 0.79 -0.19 0.93 -2.00 0.00 0.00 179.45 178.90 1und h GLU 32 N 0.46 -0.51 -0.46 0.07 4.39 -0.89 -0.26 114.58 117.38 1und h GLU 32 Ca 0.05 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.84 1und h GLU 32 Cb 0.78 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 1und h GLU 32 CO 0.06 -0.29 0.31 0.87 -1.16 0.00 0.00 179.01 178.80 1und h LYS 33 N -1.10 0.39 0.00 2.33 1.79 -1.20 -2.90 116.57 115.88 1und h LYS 33 Ca -0.05 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1und h LYS 33 Cb 0.46 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1und h LYS 33 CO 0.09 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 1und n GLY 34 N -1.51 -1.73 2.68 3.86 0.00 0.01 -4.86 105.19 103.64 1und n GLY 34 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.14 -1.41 0.00 0.99 -0.00 -0.16 -5.07 117.00 111.21 1und n LEU 35 Ca 0.00 -3.23 0.00 0.00 -0.00 0.00 0.00 56.01 52.78 1und n LEU 35 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1und n LEU 35 CO 0.00 1.71 0.00 0.33 -0.00 0.00 0.00 177.39 179.43