#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 -0.37 0.54 -3.48 2.34 -1.26 -5.11 118.68 111.34 1und s LEU 2 Ca 0.00 0.59 -0.19 0.00 0.06 0.00 0.00 54.13 54.58 1und s LEU 2 Cb 0.00 1.54 -0.09 0.00 -0.56 0.00 0.00 46.19 47.08 1und s LEU 2 CO 0.00 -0.09 0.61 -1.54 -1.06 0.00 0.00 176.35 174.27 1und n SER 3 N 3.51 -0.64 0.18 1.48 3.41 -1.26 -4.51 113.62 115.80 1und n SER 3 Ca -0.18 0.80 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1und n SER 3 Cb 0.57 -1.20 0.65 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.46 0.00 0.00 4.33 5.08 -2.02 0.27 114.58 122.71 1und h GLU 4 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1und h GLU 4 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1und h GLU 4 CO 0.49 0.00 -0.20 1.96 -1.00 0.00 0.00 179.01 180.26 1und h GLN 5 N 0.00 0.00 -0.62 2.33 7.50 -2.00 -3.16 115.11 119.16 1und h GLN 5 Ca 0.00 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.22 1und h GLN 5 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 1und h GLN 5 CO 0.00 0.93 0.41 -0.44 -1.50 0.00 0.00 178.83 178.23 1und h ASP 6 N -1.00 0.50 0.24 1.46 5.19 -1.53 -1.69 116.42 119.60 1und h ASP 6 Ca -0.05 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1und h ASP 6 Cb 0.98 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.35 1und h ASP 6 CO -0.03 0.32 -0.46 0.15 -3.12 0.00 0.00 179.24 176.09 1und h PHE 7 N 0.56 -1.29 -0.71 4.55 3.04 -0.66 -2.08 116.94 120.36 1und h PHE 7 Ca 0.28 0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.42 1und h PHE 7 Cb 0.35 0.53 -0.04 0.00 2.56 0.00 0.00 35.95 39.35 1und h PHE 7 CO -0.00 -0.57 0.49 0.28 -2.02 0.00 0.00 178.31 176.48 1und h VAL 8 N -0.78 0.74 -0.26 1.41 2.07 -1.27 0.41 116.25 118.57 1und h VAL 8 Ca -0.01 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1und h VAL 8 Cb 0.75 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1und h VAL 8 CO -0.19 0.04 -0.03 -1.28 0.02 0.00 0.00 177.57 176.14 1und h SER 9 N 0.23 0.47 0.76 0.57 0.87 -1.16 -0.74 113.55 114.55 1und h SER 9 Ca 0.35 -0.34 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 1und h SER 9 Cb 1.03 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1und h SER 9 CO -0.07 0.70 -1.19 0.58 -0.53 0.00 0.00 176.83 176.31 1und h VAL 10 N 0.24 1.53 0.12 2.23 2.07 -0.47 -3.35 116.25 118.61 1und h VAL 10 Ca 0.07 -3.17 -0.35 0.00 0.82 0.00 0.00 66.70 64.07 1und h VAL 10 Cb 0.47 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1und h VAL 10 CO 0.02 0.90 -1.87 -0.26 0.02 0.00 0.00 177.57 176.38 1und h PHE 11 N 0.04 0.45 0.00 1.57 -1.00 -0.36 -3.49 116.94 114.15 1und h PHE 11 Ca -0.10 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1und h PHE 11 Cb 1.90 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.44 1und h PHE 11 CO 0.04 1.62 0.00 0.41 -1.61 0.00 0.00 178.31 178.76 1und n GLY 12 N 1.88 0.61 2.97 -1.45 0.00 -0.28 -5.02 105.19 103.89 1und n GLY 12 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 0.03 0.83 -0.61 -4.36 -1.25 -5.05 121.20 108.51 1und s ILE 13 Ca 0.00 -0.23 -0.10 0.00 -0.26 0.00 0.00 60.65 60.06 1und s ILE 13 Cb 0.00 -0.17 0.09 0.00 1.25 0.00 0.00 42.46 43.63 1und s ILE 13 CO 0.00 -0.12 1.11 0.28 0.24 0.00 0.00 174.94 176.45 1und s THR 14 N -0.37 2.85 0.25 8.37 -1.32 -1.26 -4.53 115.64 119.64 1und s THR 14 Ca -0.04 0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 60.68 1und s THR 14 Cb -0.03 -2.60 0.23 0.00 -1.51 0.00 0.00 72.50 68.59 1und s THR 14 CO 0.00 -0.36 1.73 -0.09 -2.21 0.00 0.00 174.62 173.69 1und h ARG 15 N -1.42 0.44 0.27 7.08 2.43 -1.98 0.14 114.38 121.34 1und h ARG 15 Ca -0.44 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1und h ARG 15 Cb 1.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1und h ARG 15 CO 0.48 0.29 -0.13 0.78 -1.51 0.00 0.00 179.97 179.88 1und h GLY 16 N 0.45 -0.37 1.28 2.80 0.00 -1.98 -1.44 103.07 103.80 1und h GLY 16 Ca 0.43 0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.85 1und h GLY 16 CO -0.42 -0.14 0.14 -1.61 0.00 0.00 0.00 176.54 174.51 1und h GLN 17 N -0.62 0.90 -0.24 4.80 4.15 -1.86 -2.05 115.11 120.18 1und h GLN 17 Ca -0.04 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 1und h GLN 17 Cb 0.45 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1und h GLN 17 CO 0.06 0.81 -0.02 0.35 -1.93 0.00 0.00 178.83 178.10 1und h PHE 18 N 0.86 0.48 0.00 3.99 3.57 -0.70 -0.40 116.94 124.75 1und h PHE 18 Ca 0.19 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1und h PHE 18 Cb 0.32 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1und h PHE 18 CO 0.02 0.63 0.00 0.00 -2.23 0.00 0.00 178.31 176.73 1und h ALA 19 N 0.79 1.00 0.15 2.41 0.00 -1.10 -2.33 119.26 120.17 1und h ALA 19 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1und h ALA 19 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1und h ALA 19 CO 0.02 0.00 -1.51 0.00 0.00 0.00 0.00 179.25 177.76 1und h ALA 20 N 2.01 0.17 -3.03 0.00 0.00 -0.85 -3.47 119.26 114.10 1und h ALA 20 Ca 0.00 -1.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.31 1und h ALA 20 Cb 0.26 0.25 0.14 0.00 0.00 0.00 0.00 17.79 18.44 1und h ALA 20 CO 0.00 1.04 0.54 -0.51 0.00 0.00 0.00 179.25 180.32 1und s LEU 21 N -7.13 3.68 0.47 0.00 1.43 -0.21 -4.94 118.68 111.98 1und s LEU 21 Ca -0.09 2.63 -0.23 0.00 -1.03 0.00 0.00 54.13 55.41 1und s LEU 21 Cb 0.06 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 1und s LEU 21 CO 0.87 -1.79 1.00 -2.65 0.23 0.00 0.00 176.35 174.01 1und n PRO 22 N -1.56 1.27 -0.21 1.29 -0.02 -1.26 -4.73 135.00 129.78 1und n PRO 22 Ca 0.14 0.46 0.23 0.00 -2.02 0.00 0.00 63.50 62.30 1und n PRO 22 Cb 0.47 -2.09 0.60 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 1.30 0.54 0.60 -1.23 0.00 -1.92 -0.17 103.07 102.18 1und h GLY 23 Ca -0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1und h GLY 23 CO 0.55 -0.01 -0.00 0.11 0.00 0.00 0.00 176.54 177.19 1und h TRP 24 N 0.24 0.01 -0.73 5.60 5.08 -1.99 -1.21 115.95 122.95 1und h TRP 24 Ca 0.45 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.41 1und h TRP 24 Cb 1.36 -0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.48 1und h TRP 24 CO -0.00 0.42 0.45 -0.22 -1.28 0.00 0.00 178.44 177.81 1und h LYS 25 N -0.40 0.98 0.81 0.12 1.63 -1.59 -0.29 116.57 117.84 1und h LYS 25 Ca 0.00 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1und h LYS 25 Cb 0.41 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1und h LYS 25 CO 0.00 0.68 -0.41 1.96 -3.45 0.00 0.00 179.45 178.23 1und h GLN 26 N 1.00 -1.07 -0.73 1.90 4.20 -0.97 -1.43 115.11 118.02 1und h GLN 26 Ca 0.26 0.07 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1und h GLN 26 Cb -0.06 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1und h GLN 26 CO -0.05 -0.71 0.37 1.37 -0.67 0.00 0.00 178.83 179.13 1und h LEU 27 N -1.11 0.92 0.15 1.46 8.10 -0.97 -2.32 115.31 121.54 1und h LEU 27 Ca -0.11 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 1und h LEU 27 Cb 0.86 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1und h LEU 27 CO 0.17 0.76 -0.08 -0.61 -4.11 0.00 0.00 178.44 174.57 1und h GLN 28 N 1.02 -0.21 -0.85 0.17 4.15 -0.96 -2.38 115.11 116.05 1und h GLN 28 Ca 0.25 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.79 1und h GLN 28 Cb 0.07 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.73 1und h GLN 28 CO -0.04 -0.14 0.49 0.52 -1.93 0.00 0.00 178.83 177.73 1und h MET 29 N -0.21 0.77 0.05 1.69 2.86 -0.91 0.16 114.93 119.34 1und h MET 29 Ca -0.02 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1und h MET 29 Cb 0.17 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1und h MET 29 CO 0.03 0.51 -0.16 0.87 1.06 0.00 0.00 176.91 179.22 1und h LYS 30 N 0.79 -0.28 -0.12 1.72 1.57 -1.05 -0.18 116.57 119.02 1und h LYS 30 Ca 0.42 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1und h LYS 30 Cb 0.43 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1und h LYS 30 CO -0.27 -0.19 -0.38 1.57 -0.57 0.00 0.00 179.45 179.61 1und h LYS 31 N -0.29 0.25 0.18 3.15 2.10 -1.03 -0.52 116.57 120.41 1und h LYS 31 Ca 0.04 -0.11 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1und h LYS 31 Cb 0.34 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1und h LYS 31 CO -0.12 0.60 -0.09 0.93 -2.00 0.00 0.00 179.45 178.77 1und h GLU 32 N 0.21 -0.24 -0.01 0.07 5.08 -0.71 0.21 114.58 119.20 1und h GLU 32 Ca 0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1und h GLU 32 Cb 0.78 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1und h GLU 32 CO 0.06 0.17 0.01 0.87 -1.00 0.00 0.00 179.01 179.12 1und h LYS 33 N -0.86 0.00 0.00 2.33 6.56 -1.11 -3.23 116.57 120.26 1und h LYS 33 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1und h LYS 33 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1und h LYS 33 CO 0.04 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.84 1und n GLY 34 N -1.48 -2.12 0.84 3.86 0.00 -0.20 -4.93 105.19 101.16 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 -0.70 -0.52 0.99 -0.00 -0.04 -5.07 117.00 111.66 1und n LEU 35 Ca 0.00 -1.58 0.07 0.00 -0.00 0.00 0.00 56.01 54.50 1und n LEU 35 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1und n LEU 35 CO 0.00 1.29 0.46 0.33 -0.00 0.00 0.00 177.39 179.46