#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 -0.23 0.27 -3.48 2.34 -1.26 -5.11 118.68 111.21 1und s LEU 2 Ca 0.00 0.37 -0.27 0.00 0.06 0.00 0.00 54.13 54.29 1und s LEU 2 Cb 0.00 1.34 -0.15 0.00 -0.56 0.00 0.00 46.19 46.82 1und s LEU 2 CO 0.00 -0.06 0.74 -1.20 -1.06 0.00 0.00 176.35 174.77 1und n SER 3 N 3.28 -0.06 0.08 1.48 7.64 -1.26 -4.38 113.62 120.40 1und n SER 3 Ca -0.18 1.12 0.21 0.00 1.01 0.00 0.00 58.87 61.03 1und n SER 3 Cb 0.57 -1.13 0.74 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.41 0.00 0.02 1.43 3.07 -2.01 0.29 114.58 118.78 1und h GLU 4 Ca -0.35 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.47 1und h GLU 4 Cb 1.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1und h GLU 4 CO 0.58 0.00 -0.18 1.96 -1.40 0.00 0.00 179.01 179.97 1und h GLN 5 N 0.00 0.03 -1.00 2.33 7.50 -2.00 -3.10 115.11 118.87 1und h GLN 5 Ca 0.20 -0.06 0.16 0.00 0.50 0.00 0.00 58.65 59.46 1und h GLN 5 Cb 1.07 0.02 -0.10 0.00 0.05 0.00 0.00 27.48 28.53 1und h GLN 5 CO -0.00 1.03 0.62 0.22 -1.50 0.00 0.00 178.83 179.20 1und h ASP 6 N -0.93 0.85 0.14 1.46 3.58 -1.28 -1.66 116.42 118.57 1und h ASP 6 Ca -0.04 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1und h ASP 6 Cb 1.09 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 42.01 1und h ASP 6 CO 0.00 0.37 -0.45 0.15 -2.88 0.00 0.00 179.24 176.43 1und h PHE 7 N 0.87 -1.28 -0.27 0.28 3.04 -0.66 -1.52 116.94 117.39 1und h PHE 7 Ca 0.54 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.55 1und h PHE 7 Cb 0.72 0.54 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 1und h PHE 7 CO -0.00 -0.55 0.18 0.28 -2.02 0.00 0.00 178.31 176.20 1und h VAL 8 N -0.70 1.02 -0.30 1.41 2.07 -1.23 0.42 116.25 118.94 1und h VAL 8 Ca 0.01 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1und h VAL 8 Cb 0.71 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1und h VAL 8 CO -0.25 0.05 -0.00 -1.28 0.02 0.00 0.00 177.57 176.11 1und h SER 9 N 0.28 0.53 0.62 0.57 0.87 -0.93 -0.18 113.55 115.32 1und h SER 9 Ca 0.11 -0.31 -0.23 0.00 -1.23 0.00 0.00 61.79 60.13 1und h SER 9 Cb 0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1und h SER 9 CO -0.02 0.71 -1.01 0.58 -0.53 0.00 0.00 176.83 176.56 1und h VAL 10 N 0.33 1.52 0.17 2.23 2.07 -0.24 -3.34 116.25 118.99 1und h VAL 10 Ca 0.09 -2.84 -0.34 0.00 0.82 0.00 0.00 66.70 64.43 1und h VAL 10 Cb 0.44 2.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1und h VAL 10 CO 0.02 0.83 -1.65 -0.26 0.02 0.00 0.00 177.57 176.52 1und h PHE 11 N 0.10 0.67 0.00 1.57 -1.00 -0.25 -3.49 116.94 114.55 1und h PHE 11 Ca -0.07 -0.49 0.00 0.00 2.81 0.00 0.00 57.97 60.22 1und h PHE 11 Cb 1.69 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.23 1und h PHE 11 CO 0.04 1.57 0.00 0.41 -1.61 0.00 0.00 178.31 178.72 1und n GLY 12 N 1.78 0.49 3.24 -1.45 0.00 -0.08 -5.03 105.19 104.13 1und n GLY 12 Ca -0.21 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 0.01 0.81 -0.61 -4.36 -1.24 -5.07 121.20 108.75 1und s ILE 13 Ca 0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 1und s ILE 13 Cb 0.00 -0.52 0.08 0.00 1.25 0.00 0.00 42.46 43.28 1und s ILE 13 CO 0.00 -0.07 1.13 0.28 0.24 0.00 0.00 174.94 176.52 1und s THR 14 N -0.21 2.68 0.27 8.37 -1.32 -1.26 -4.49 115.64 119.68 1und s THR 14 Ca -0.04 0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.70 1und s THR 14 Cb -0.03 -2.56 0.26 0.00 -1.51 0.00 0.00 72.50 68.66 1und s THR 14 CO 0.01 -0.27 1.80 -0.09 -2.21 0.00 0.00 174.62 173.87 1und h ARG 15 N -1.21 0.81 0.26 7.08 2.43 -1.98 0.17 114.38 121.93 1und h ARG 15 Ca -0.44 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1und h ARG 15 Cb 1.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1und h ARG 15 CO 0.47 0.54 -0.12 0.78 -1.51 0.00 0.00 179.97 180.13 1und h GLY 16 N 0.83 -0.36 1.20 2.80 0.00 -1.99 -1.91 103.07 103.65 1und h GLY 16 Ca 0.49 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 1und h GLY 16 CO -0.31 -0.13 0.28 -1.61 0.00 0.00 0.00 176.54 174.77 1und h GLN 17 N -0.65 1.02 -0.24 4.80 4.15 -1.86 -2.09 115.11 120.24 1und h GLN 17 Ca -0.04 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1und h GLN 17 Cb 0.46 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1und h GLN 17 CO 0.06 0.82 0.12 0.35 -1.93 0.00 0.00 178.83 178.25 1und h PHE 18 N 1.00 0.34 0.00 3.99 3.04 -0.68 -0.08 116.94 124.55 1und h PHE 18 Ca 0.23 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1und h PHE 18 Cb 0.19 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1und h PHE 18 CO 0.02 0.33 0.00 0.00 -2.02 0.00 0.00 178.31 176.64 1und h ALA 19 N 0.98 1.00 0.12 2.41 0.00 -1.05 -2.46 119.26 120.26 1und h ALA 19 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 1und h ALA 19 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 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 2.02 0.29 -2.82 0.00 0.00 -0.68 -3.47 119.26 114.60 1und h ALA 20 Ca 0.00 -1.13 -0.54 0.00 0.00 0.00 0.00 54.91 53.24 1und h ALA 20 Cb 0.27 0.30 0.16 0.00 0.00 0.00 0.00 17.79 18.52 1und h ALA 20 CO 0.00 1.15 0.43 -0.51 0.00 0.00 0.00 179.25 180.32 1und s LEU 21 N -6.96 3.37 0.60 0.00 1.43 -0.11 -4.95 118.68 112.05 1und s LEU 21 Ca -0.09 2.47 -0.19 0.00 -1.03 0.00 0.00 54.13 55.29 1und s LEU 21 Cb 0.07 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1und s LEU 21 CO 0.85 -2.29 1.20 -2.16 0.23 0.00 0.00 176.35 174.18 1und s PRO 22 N -3.76 2.96 0.43 1.29 0.04 -1.26 -4.75 135.00 129.95 1und s PRO 22 Ca 0.77 1.80 0.21 0.00 0.04 0.00 0.00 61.00 63.82 1und s PRO 22 Cb -0.32 -1.93 1.18 0.00 0.04 0.00 0.00 34.50 33.46 1und s PRO 22 CO 0.45 -1.21 1.82 0.78 0.04 0.00 0.00 177.00 178.88 1und h GLY 23 N 0.84 0.83 0.57 0.56 0.00 -1.93 0.03 103.07 103.97 1und h GLY 23 Ca -0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1und h GLY 23 CO 0.55 -0.05 -0.01 0.11 0.00 0.00 0.00 176.54 177.13 1und h TRP 24 N 0.32 0.04 -0.49 5.60 5.08 -1.99 -0.99 115.95 123.52 1und h TRP 24 Ca 0.52 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.46 1und h TRP 24 Cb 1.46 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.59 1und h TRP 24 CO -0.00 0.48 0.23 -0.22 -1.28 0.00 0.00 178.44 177.64 1und h LYS 25 N -0.41 0.68 0.80 0.12 1.63 -1.52 -0.15 116.57 117.73 1und h LYS 25 Ca 0.00 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1und h LYS 25 Cb 0.47 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1und h LYS 25 CO 0.00 0.54 -0.39 1.96 -3.45 0.00 0.00 179.45 178.11 1und h GLN 26 N 0.69 -1.04 -0.81 1.90 4.20 -0.96 -1.13 115.11 117.96 1und h GLN 26 Ca 0.17 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1und h GLN 26 Cb 0.08 0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1und h GLN 26 CO -0.02 -0.69 0.38 1.37 -0.67 0.00 0.00 178.83 179.20 1und h LEU 27 N -1.11 1.06 0.14 1.46 8.10 -0.95 -1.94 115.31 122.06 1und h LEU 27 Ca -0.11 -0.13 0.01 0.00 0.11 0.00 0.00 57.88 57.77 1und h LEU 27 Cb 0.83 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.76 1und h LEU 27 CO 0.18 0.89 -0.22 -0.61 -4.11 0.00 0.00 178.44 174.57 1und h GLN 28 N 1.15 -0.41 -0.89 0.17 4.15 -0.99 -2.48 115.11 115.81 1und h GLN 28 Ca 0.28 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.79 1und h GLN 28 Cb 0.12 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1und h GLN 28 CO -0.03 -0.28 0.55 0.52 -1.93 0.00 0.00 178.83 177.66 1und h MET 29 N -0.43 0.96 0.08 1.69 2.86 -0.72 0.62 114.93 119.98 1und h MET 29 Ca 0.02 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1und h MET 29 Cb 0.44 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1und h MET 29 CO -0.11 0.63 -0.19 0.87 1.06 0.00 0.00 176.91 179.17 1und h LYS 30 N 0.99 -0.34 -0.51 1.72 1.57 -1.14 -0.65 116.57 118.22 1und h LYS 30 Ca 0.39 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1und h LYS 30 Cb 0.21 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1und h LYS 30 CO -0.19 -0.23 0.33 0.87 -0.57 0.00 0.00 179.45 179.67 1und h LYS 31 N -0.35 0.65 0.19 3.15 1.57 -0.96 -1.07 116.57 119.74 1und h LYS 31 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1und h LYS 31 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1und h LYS 31 CO -0.13 0.43 -0.09 0.93 -0.57 0.00 0.00 179.45 180.02 1und h GLU 32 N 0.67 -0.25 0.00 3.15 4.39 -0.66 0.88 114.58 122.76 1und h GLU 32 Ca 0.19 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1und h GLU 32 Cb -0.06 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1und h GLU 32 CO -0.05 0.09 -0.03 0.87 -1.16 0.00 0.00 179.01 178.73 1und h LYS 33 N -0.62 0.00 0.00 2.33 6.56 -1.18 -3.25 116.57 120.41 1und h LYS 33 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1und h LYS 33 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1und h LYS 33 CO 0.04 0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.88 1und n GLY 34 N -1.37 -2.44 0.86 3.86 0.00 -0.41 -4.94 105.19 100.76 1und n GLY 34 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.73 -0.34 0.99 -0.00 0.19 -5.08 117.00 112.03 1und n LEU 35 Ca 0.00 -1.47 0.04 0.00 -0.00 0.00 0.00 56.01 54.58 1und n LEU 35 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1und n LEU 35 CO 0.00 1.24 0.39 0.33 -0.00 0.00 0.00 177.39 179.34