#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 -0.27 0.29 -3.48 2.34 -1.26 -5.11 118.68 111.20 1und s LEU 2 Ca 0.00 0.44 -0.26 0.00 0.06 0.00 0.00 54.13 54.36 1und s LEU 2 Cb 0.00 1.40 -0.15 0.00 -0.56 0.00 0.00 46.19 46.88 1und s LEU 2 CO 0.00 -0.07 0.62 -1.20 -1.06 0.00 0.00 176.35 174.65 1und n SER 3 N 3.28 -0.60 0.23 1.48 7.64 -1.26 -4.38 113.62 120.01 1und n SER 3 Ca -0.17 1.07 0.18 0.00 1.01 0.00 0.00 58.87 60.95 1und n SER 3 Cb 0.57 -1.08 0.86 0.00 -1.01 0.00 0.00 64.21 63.55 1und n SER 3 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1und h GLU 4 N 1.17 0.00 0.00 1.43 3.07 -2.01 0.36 114.58 118.60 1und h GLU 4 Ca -0.35 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 1und h GLU 4 Cb 1.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1und h GLU 4 CO 0.56 0.00 -0.15 1.96 -1.40 0.00 0.00 179.01 179.98 1und h GLN 5 N 0.00 0.00 -0.57 2.33 7.50 -2.00 -3.17 115.11 119.20 1und h GLN 5 Ca 0.08 -0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.31 1und h GLN 5 Cb 0.56 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.06 1und h GLN 5 CO -0.00 1.00 0.38 -0.44 -1.50 0.00 0.00 178.83 178.27 1und h ASP 6 N -1.00 0.37 0.27 1.46 3.32 -1.37 -1.25 116.42 118.23 1und h ASP 6 Ca -0.04 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1und h ASP 6 Cb 1.04 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1und h ASP 6 CO -0.02 0.23 -0.39 0.15 -1.72 0.00 0.00 179.24 177.49 1und h PHE 7 N 0.42 -1.06 -0.31 4.55 3.04 -0.51 -1.78 116.94 121.28 1und h PHE 7 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1und h PHE 7 Cb 0.47 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1und h PHE 7 CO -0.00 -0.52 0.21 0.28 -2.02 0.00 0.00 178.31 176.26 1und h VAL 8 N -0.72 1.08 -0.11 1.41 2.07 -1.21 0.40 116.25 119.18 1und h VAL 8 Ca -0.01 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1und h VAL 8 Cb 0.68 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1und h VAL 8 CO -0.13 0.08 0.04 -1.28 0.02 0.00 0.00 177.57 176.30 1und h SER 9 N 0.43 0.15 0.55 0.57 0.87 -1.00 0.37 113.55 115.49 1und h SER 9 Ca 0.12 -0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.31 1und h SER 9 Cb -0.04 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1und h SER 9 CO -0.02 0.28 -0.86 0.58 -0.53 0.00 0.00 176.83 176.28 1und h VAL 10 N 0.01 1.48 0.00 2.23 2.07 -0.46 -3.28 116.25 118.30 1und h VAL 10 Ca 0.04 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.87 1und h VAL 10 Cb 0.18 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1und h VAL 10 CO -0.00 0.75 -0.89 -0.26 0.02 0.00 0.00 177.57 177.18 1und h PHE 11 N 0.12 0.00 -3.50 1.57 -1.00 -0.23 -3.48 116.94 110.42 1und h PHE 11 Ca -0.04 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.50 1und h PHE 11 Cb 1.48 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.02 1und h PHE 11 CO 0.03 0.47 -0.29 0.41 -1.61 0.00 0.00 178.31 177.32 1und n GLY 12 N 1.29 -0.26 3.07 -1.45 0.00 0.12 -4.97 105.19 102.98 1und n GLY 12 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.51 0.01 0.81 -0.61 -4.36 -1.24 -5.07 121.20 108.22 1und s ILE 13 Ca 0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 60.65 60.16 1und s ILE 13 Cb 0.00 -0.29 0.08 0.00 1.25 0.00 0.00 42.46 43.50 1und s ILE 13 CO 0.00 -0.07 1.12 0.28 0.24 0.00 0.00 174.94 176.51 1und s THR 14 N -0.17 2.87 0.26 8.37 -1.32 -1.26 -4.47 115.64 119.92 1und s THR 14 Ca -0.03 0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.73 1und s THR 14 Cb -0.02 -2.64 0.24 0.00 -1.51 0.00 0.00 72.50 68.56 1und s THR 14 CO 0.01 -0.36 1.80 -0.09 -2.21 0.00 0.00 174.62 173.76 1und h ARG 15 N -1.25 0.74 0.20 7.08 2.43 -1.98 0.17 114.38 121.77 1und h ARG 15 Ca -0.44 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1und h ARG 15 Cb 1.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1und h ARG 15 CO 0.48 0.49 -0.10 0.78 -1.51 0.00 0.00 179.97 180.11 1und h GLY 16 N 0.76 -0.29 1.04 2.80 0.00 -1.99 -2.14 103.07 103.25 1und h GLY 16 Ca 0.44 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 1und h GLY 16 CO -0.29 -0.10 0.36 -1.61 0.00 0.00 0.00 176.54 174.90 1und h GLN 17 N -0.59 1.17 -0.08 4.80 4.15 -1.87 -2.37 115.11 120.32 1und h GLN 17 Ca -0.03 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1und h GLN 17 Cb 0.43 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1und h GLN 17 CO 0.05 0.92 0.04 0.35 -1.93 0.00 0.00 178.83 178.26 1und h PHE 18 N 1.15 0.08 0.00 3.99 3.04 -0.67 0.35 116.94 124.87 1und h PHE 18 Ca 0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1und h PHE 18 Cb 0.15 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1und h PHE 18 CO 0.01 0.05 0.00 0.00 -2.02 0.00 0.00 178.31 176.35 1und h ALA 19 N 1.03 1.00 0.07 2.41 0.00 -1.16 -2.18 119.26 120.43 1und h ALA 19 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1und h ALA 19 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1und h ALA 19 CO -0.01 0.00 -1.63 0.00 0.00 0.00 0.00 179.25 177.61 1und h ALA 20 N 2.02 0.49 -2.69 0.00 0.00 -0.81 -3.48 119.26 114.80 1und h ALA 20 Ca 0.00 -1.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.10 1und h ALA 20 Cb 0.22 0.39 0.16 0.00 0.00 0.00 0.00 17.79 18.56 1und h ALA 20 CO 0.00 1.34 0.39 -0.51 0.00 0.00 0.00 179.25 180.47 1und s LEU 21 N -6.64 3.29 0.47 0.00 1.43 0.03 -4.94 118.68 112.32 1und s LEU 21 Ca -0.09 2.36 -0.22 0.00 -1.03 0.00 0.00 54.13 55.15 1und s LEU 21 Cb 0.07 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 1und s LEU 21 CO 0.82 -2.33 0.91 -2.65 0.23 0.00 0.00 176.35 173.33 1und n PRO 22 N -2.80 1.10 -0.20 1.29 -0.02 -1.26 -4.71 135.00 128.40 1und n PRO 22 Ca 0.13 0.40 0.19 0.00 -2.02 0.00 0.00 63.50 62.21 1und n PRO 22 Cb 0.50 -1.98 0.55 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.66 0.64 -1.23 0.00 -1.93 0.37 103.07 102.71 1und h GLY 23 Ca -0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1und h GLY 23 CO 0.54 0.01 -0.04 0.11 0.00 0.00 0.00 176.54 177.16 1und h TRP 24 N 0.33 -0.11 -0.25 5.60 5.08 -1.99 -1.42 115.95 123.19 1und h TRP 24 Ca 0.43 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.37 1und h TRP 24 Cb 1.15 0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1und h TRP 24 CO -0.00 0.24 0.06 -0.22 -1.28 0.00 0.00 178.44 177.24 1und h LYS 25 N -0.48 0.35 0.84 0.12 1.63 -1.56 0.13 116.57 117.60 1und h LYS 25 Ca -0.01 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1und h LYS 25 Cb 0.40 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1und h LYS 25 CO 0.02 0.34 -0.40 1.96 -3.45 0.00 0.00 179.45 177.92 1und h GLN 26 N 0.35 -1.09 -0.74 1.90 4.20 -0.89 -1.23 115.11 117.62 1und h GLN 26 Ca 0.09 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1und h GLN 26 Cb 0.15 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1und h GLN 26 CO -0.00 -0.72 0.36 1.37 -0.67 0.00 0.00 178.83 179.17 1und h LEU 27 N -1.20 0.96 0.39 1.46 8.10 -0.93 -2.51 115.31 121.58 1und h LEU 27 Ca -0.12 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.76 1und h LEU 27 Cb 0.87 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1und h LEU 27 CO 0.19 0.81 -0.30 -0.61 -4.11 0.00 0.00 178.44 174.43 1und h GLN 28 N 1.06 -0.65 -0.65 0.17 -0.00 -0.73 -1.85 115.11 112.45 1und h GLN 28 Ca 0.26 0.04 0.06 0.00 -0.00 0.00 0.00 58.65 59.01 1und h GLN 28 Cb 0.11 0.15 -0.05 0.00 0.00 0.00 0.00 27.48 27.68 1und h GLN 28 CO -0.03 -0.44 0.36 0.52 0.00 0.00 0.00 178.83 179.24 1und h MET 29 N -0.68 0.66 -0.01 1.69 2.86 -1.03 0.76 114.93 119.18 1und h MET 29 Ca -0.03 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1und h MET 29 Cb 0.59 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1und h MET 29 CO -0.00 0.43 -0.14 0.87 1.06 0.00 0.00 176.91 179.13 1und h LYS 30 N 0.68 -0.22 -0.46 1.72 1.57 -1.25 -0.70 116.57 117.90 1und h LYS 30 Ca 0.29 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1und h LYS 30 Cb 0.17 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1und h LYS 30 CO -0.18 -0.15 0.08 0.87 -0.57 0.00 0.00 179.45 179.50 1und h LYS 31 N -0.23 0.75 -0.14 3.15 1.57 -0.99 -2.33 116.57 118.34 1und h LYS 31 Ca 0.05 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1und h LYS 31 Cb 0.30 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1und h LYS 31 CO -0.14 0.76 -0.11 0.93 -0.57 0.00 0.00 179.45 180.32 1und h GLU 32 N 0.62 0.33 0.00 3.15 4.39 -0.61 0.26 114.58 122.72 1und h GLU 32 Ca 0.14 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1und h GLU 32 Cb 0.37 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1und h GLU 32 CO 0.01 0.69 -0.21 0.87 -1.16 0.00 0.00 179.01 179.21 1und h LYS 33 N -0.03 0.00 0.00 2.33 6.56 -1.23 -3.26 116.57 120.94 1und h LYS 33 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1und h LYS 33 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1und h LYS 33 CO 0.03 0.21 0.00 0.41 -2.06 0.00 0.00 179.45 178.04 1und n GLY 34 N -0.68 -1.63 2.70 3.86 0.00 -0.78 -4.91 105.19 103.75 1und n GLY 34 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 -0.96 0.00 0.99 -0.00 0.81 -5.08 117.00 112.75 1und n LEU 35 Ca 0.00 -3.24 0.00 0.00 -0.00 0.00 0.00 56.01 52.77 1und n LEU 35 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1und n LEU 35 CO 0.00 1.63 0.00 0.33 -0.00 0.00 0.00 177.39 179.35