#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 0.34 -3.48 2.34 -1.26 -5.11 118.68 111.27 1und s LEU 2 Ca 0.00 0.38 -0.27 0.00 0.06 0.00 0.00 54.13 54.30 1und s LEU 2 Cb 0.00 1.34 -0.13 0.00 -0.56 0.00 0.00 46.19 46.84 1und s LEU 2 CO 0.00 -0.06 0.99 -1.54 -1.06 0.00 0.00 176.35 174.68 1und n SER 3 N 3.27 1.19 0.32 1.48 3.41 -1.26 -4.42 113.62 117.61 1und n SER 3 Ca -0.18 1.12 0.17 0.00 -0.26 0.00 0.00 58.87 59.73 1und n SER 3 Cb 0.57 -1.30 0.90 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.80 0.00 0.04 4.33 4.39 -2.01 0.22 114.58 123.35 1und h GLU 4 Ca -0.41 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.19 1und h GLU 4 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1und h GLU 4 CO 0.59 0.00 -0.49 1.96 -1.16 0.00 0.00 179.01 179.91 1und h GLN 5 N 0.00 0.09 -0.96 2.33 7.50 -2.00 -3.08 115.11 118.99 1und h GLN 5 Ca 0.00 -0.16 0.09 0.00 0.50 0.00 0.00 58.65 59.08 1und h GLN 5 Cb 0.47 0.06 -0.07 0.00 0.05 0.00 0.00 27.48 27.99 1und h GLN 5 CO 0.00 1.08 0.62 0.22 -1.50 0.00 0.00 178.83 179.24 1und h ASP 6 N -0.79 0.92 0.00 1.46 3.58 -1.15 -2.02 116.42 118.42 1und h ASP 6 Ca -0.11 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.39 1und h ASP 6 Cb 1.26 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.09 1und h ASP 6 CO 0.01 0.55 -0.49 0.15 -2.88 0.00 0.00 179.24 176.58 1und h PHE 7 N 1.02 -1.42 -0.27 0.28 3.04 -0.83 -1.03 116.94 117.73 1und h PHE 7 Ca 0.44 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.46 1und h PHE 7 Cb 0.34 0.62 -0.01 0.00 2.56 0.00 0.00 35.95 39.45 1und h PHE 7 CO -0.00 -0.55 0.18 0.28 -2.02 0.00 0.00 178.31 176.21 1und h VAL 8 N -0.64 1.02 -0.22 1.41 2.07 -1.28 0.43 116.25 119.03 1und h VAL 8 Ca 0.03 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1und h VAL 8 Cb 0.70 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1und h VAL 8 CO -0.34 0.05 -0.01 -1.28 0.02 0.00 0.00 177.57 176.01 1und h SER 9 N 0.28 0.39 0.67 0.57 0.87 -0.91 -0.25 113.55 115.17 1und h SER 9 Ca 0.11 -0.32 -0.21 0.00 -1.23 0.00 0.00 61.79 60.14 1und h SER 9 Cb 0.10 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1und h SER 9 CO -0.02 0.62 -0.95 0.58 -0.53 0.00 0.00 176.83 176.53 1und h VAL 10 N 0.16 1.54 0.19 2.23 2.07 -0.10 -3.33 116.25 119.00 1und h VAL 10 Ca 0.06 -2.83 -0.35 0.00 0.82 0.00 0.00 66.70 64.41 1und h VAL 10 Cb 0.42 2.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1und h VAL 10 CO 0.01 0.82 -1.70 -0.26 0.02 0.00 0.00 177.57 176.46 1und h PHE 11 N 0.08 0.71 0.00 1.57 -1.00 -0.24 -3.49 116.94 114.58 1und h PHE 11 Ca -0.05 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.21 1und h PHE 11 Cb 1.61 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1und h PHE 11 CO 0.03 1.63 0.00 0.41 -1.61 0.00 0.00 178.31 178.77 1und n GLY 12 N 1.83 0.48 3.21 -1.45 0.00 -0.11 -5.03 105.19 104.12 1und n GLY 12 Ca -0.23 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.24 -5.06 121.20 108.75 1und s ILE 13 Ca 0.00 -0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.13 1und s ILE 13 Cb 0.00 -0.49 0.08 0.00 1.25 0.00 0.00 42.46 43.30 1und s ILE 13 CO 0.00 -0.08 1.14 0.28 0.24 0.00 0.00 174.94 176.52 1und s THR 14 N -0.26 2.62 0.27 8.37 -1.32 -1.26 -4.49 115.64 119.58 1und s THR 14 Ca -0.04 0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1und s THR 14 Cb -0.03 -2.55 0.26 0.00 -1.51 0.00 0.00 72.50 68.66 1und s THR 14 CO 0.01 -0.24 1.78 -0.09 -2.21 0.00 0.00 174.62 173.88 1und h ARG 15 N -1.14 0.72 0.32 7.08 2.43 -1.98 0.14 114.38 121.95 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 1.26 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1und h ARG 15 CO 0.47 0.47 -0.15 0.78 -1.51 0.00 0.00 179.97 180.03 1und h GLY 16 N 0.74 -0.45 1.41 2.80 0.00 -1.99 -1.69 103.07 103.89 1und h GLY 16 Ca 0.49 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.91 1und h GLY 16 CO -0.34 -0.16 -0.02 -1.61 0.00 0.00 0.00 176.54 174.41 1und h GLN 17 N -0.67 0.72 -0.24 4.80 4.15 -1.85 -2.12 115.11 119.90 1und h GLN 17 Ca -0.04 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1und h GLN 17 Cb 0.47 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1und h GLN 17 CO 0.07 0.74 0.13 0.35 -1.93 0.00 0.00 178.83 178.20 1und h PHE 18 N 0.67 0.33 0.00 3.99 3.04 -0.72 -0.14 116.94 124.11 1und h PHE 18 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1und h PHE 18 Cb 0.45 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1und h PHE 18 CO 0.02 0.29 0.00 0.00 -2.02 0.00 0.00 178.31 176.60 1und h ALA 19 N 1.01 1.00 0.13 2.41 0.00 -0.99 -2.41 119.26 120.40 1und h ALA 19 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 1und h ALA 19 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 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 2.03 0.25 -2.80 0.00 0.00 -0.70 -3.47 119.26 114.56 1und h ALA 20 Ca 0.00 -1.10 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 1und h ALA 20 Cb 0.28 0.29 0.16 0.00 0.00 0.00 0.00 17.79 18.52 1und h ALA 20 CO 0.00 1.11 0.42 -0.51 0.00 0.00 0.00 179.25 180.28 1und s LEU 21 N -7.03 3.37 0.61 0.00 1.43 -0.13 -4.95 118.68 111.98 1und s LEU 21 Ca -0.10 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 1und s LEU 21 Cb 0.07 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 1und s LEU 21 CO 0.86 -2.26 1.20 -2.16 0.23 0.00 0.00 176.35 174.22 1und s PRO 22 N -3.77 2.86 0.44 1.29 0.04 -1.26 -4.74 135.00 129.86 1und s PRO 22 Ca 0.77 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.82 1und s PRO 22 Cb -0.32 -1.92 1.20 0.00 0.04 0.00 0.00 34.50 33.51 1und s PRO 22 CO 0.44 -1.28 1.83 0.78 0.04 0.00 0.00 177.00 178.81 1und h GLY 23 N 0.70 0.75 0.57 0.56 0.00 -1.93 -0.08 103.07 103.65 1und h GLY 23 Ca -0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1und h GLY 23 CO 0.54 -0.05 -0.03 0.11 0.00 0.00 0.00 176.54 177.11 1und h TRP 24 N 0.29 -0.08 -0.22 5.60 5.08 -1.99 -1.54 115.95 123.09 1und h TRP 24 Ca 0.51 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.46 1und h TRP 24 Cb 1.49 0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 27.66 1und h TRP 24 CO -0.00 0.32 0.02 -0.22 -1.28 0.00 0.00 178.44 177.28 1und h LYS 25 N -0.52 0.31 0.68 0.12 1.63 -1.46 0.76 116.57 118.09 1und h LYS 25 Ca -0.01 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1und h LYS 25 Cb 0.45 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1und h LYS 25 CO 0.02 0.32 -0.33 1.96 -3.45 0.00 0.00 179.45 177.97 1und h GLN 26 N 0.31 -0.88 -0.64 1.90 4.20 -1.03 -1.06 115.11 117.91 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 0.18 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1und h GLN 26 CO 0.00 -0.57 0.16 1.37 -0.67 0.00 0.00 178.83 179.12 1und h LEU 27 N -0.99 0.94 0.00 1.46 8.10 -0.90 -1.55 115.31 122.37 1und h LEU 27 Ca -0.09 -0.18 0.02 0.00 0.11 0.00 0.00 57.88 57.73 1und h LEU 27 Cb 0.72 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.67 1und h LEU 27 CO 0.15 0.91 -0.13 -0.61 -4.11 0.00 0.00 178.44 174.65 1und h GLN 28 N 0.96 -0.21 -0.35 0.17 4.15 -0.84 -1.07 115.11 117.92 1und h GLN 28 Ca 0.20 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.65 1und h GLN 28 Cb 0.33 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1und h GLN 28 CO -0.00 -0.14 0.21 0.52 -1.93 0.00 0.00 178.83 177.49 1und h MET 29 N -0.22 0.41 -0.30 1.69 2.86 -0.89 0.11 114.93 118.60 1und h MET 29 Ca 0.04 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1und h MET 29 Cb 0.27 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1und h MET 29 CO -0.12 0.27 -0.04 0.87 1.06 0.00 0.00 176.91 178.95 1und h LYS 30 N 0.42 0.04 -0.25 1.72 1.57 -1.03 -0.17 116.57 118.86 1und h LYS 30 Ca 0.13 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1und h LYS 30 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1und h LYS 30 CO -0.06 0.02 0.15 0.87 -0.57 0.00 0.00 179.45 179.87 1und h LYS 31 N 0.04 0.34 0.39 3.15 1.57 -0.96 -1.42 116.57 119.68 1und h LYS 31 Ca 0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1und h LYS 31 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1und h LYS 31 CO -0.28 0.27 -0.19 0.93 -0.57 0.00 0.00 179.45 179.62 1und h GLU 32 N 0.31 -0.51 -0.18 3.15 5.08 -0.49 0.17 114.58 122.11 1und h GLU 32 Ca 0.09 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1und h GLU 32 Cb 0.02 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1und h GLU 32 CO -0.02 -0.23 0.13 0.87 -1.00 0.00 0.00 179.01 178.77 1und h LYS 33 N -0.74 0.00 0.00 2.33 6.56 -1.13 -3.17 116.57 120.42 1und h LYS 33 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1und h LYS 33 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1und h LYS 33 CO 0.09 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.89 1und n GLY 34 N -1.54 -2.44 0.94 3.86 0.00 -0.53 -4.93 105.19 100.54 1und n GLY 34 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 -0.68 -0.10 0.99 -0.00 0.50 -5.08 117.00 112.60 1und n LEU 35 Ca 0.00 -1.81 0.01 0.00 -0.00 0.00 0.00 56.01 54.21 1und n LEU 35 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1und n LEU 35 CO 0.00 1.33 0.29 0.49 -0.00 0.00 0.00 177.39 179.50