#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1und n LEU 2 N 0.00 -6.52 -4.74 -3.48 4.32 -1.26 -4.93 117.00 100.39 1und n LEU 2 Ca 0.00 0.64 -0.42 0.00 -0.02 0.00 0.00 56.01 56.22 1und n LEU 2 Cb 0.00 -2.87 -0.02 0.00 -1.62 0.00 0.00 43.42 38.91 1und n LEU 2 CO 0.00 -2.07 1.18 -0.44 -1.22 0.00 0.00 177.39 174.84 1und s SER 3 N -1.96 6.55 0.62 -1.43 0.01 -1.26 -4.77 113.70 111.46 1und s SER 3 Ca 0.18 2.74 0.31 0.00 1.31 0.00 0.00 55.95 60.49 1und s SER 3 Cb -0.04 -2.62 1.71 0.00 0.21 0.00 0.00 66.02 65.28 1und s SER 3 CO 0.71 -0.80 2.05 -0.33 0.41 0.00 0.00 173.24 175.28 1und h GLU 4 N 5.48 0.00 0.04 12.44 4.39 -1.97 0.17 114.58 135.13 1und h GLU 4 Ca -0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 1und h GLU 4 Cb 1.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1und h GLU 4 CO 0.82 0.00 -0.34 1.96 -1.16 0.00 0.00 179.01 180.29 1und h GLN 5 N 0.00 0.15 -0.90 2.33 7.50 -2.00 -2.26 115.11 119.93 1und h GLN 5 Ca 0.08 -0.22 0.02 0.00 0.50 0.00 0.00 58.65 59.02 1und h GLN 5 Cb 0.60 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.16 1und h GLN 5 CO -0.00 1.05 0.59 0.22 -1.50 0.00 0.00 178.83 179.20 1und h ASP 6 N -0.63 1.02 -0.15 1.46 3.58 -1.42 -2.52 116.42 117.76 1und h ASP 6 Ca -0.06 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.42 1und h ASP 6 Cb 1.21 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.96 1und h ASP 6 CO 0.07 0.72 -0.18 0.15 -2.88 0.00 0.00 179.24 177.12 1und h PHE 7 N 1.20 -0.45 -0.73 0.28 3.04 -0.86 -1.35 116.94 118.06 1und h PHE 7 Ca 0.34 0.03 0.20 0.00 3.98 0.00 0.00 57.97 62.51 1und h PHE 7 Cb -0.10 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 1und h PHE 7 CO -0.01 -0.25 0.52 0.28 -2.02 0.00 0.00 178.31 176.83 1und h VAL 8 N -0.21 0.66 -0.15 1.41 2.07 -0.95 0.41 116.25 119.49 1und h VAL 8 Ca 0.10 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1und h VAL 8 Cb 0.36 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1und h VAL 8 CO -0.27 0.02 -0.10 -1.28 0.02 0.00 0.00 177.57 175.96 1und h SER 9 N 0.09 0.34 1.03 0.57 0.87 -1.18 -1.21 113.55 114.06 1und h SER 9 Ca 0.35 -0.44 -0.16 0.00 -1.23 0.00 0.00 61.79 60.31 1und h SER 9 Cb 1.28 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1und h SER 9 CO -0.04 0.71 -0.78 0.58 -0.53 0.00 0.00 176.83 176.77 1und h VAL 10 N -0.02 1.42 0.00 2.23 2.07 -0.75 -3.32 116.25 117.88 1und h VAL 10 Ca 0.03 -2.80 -0.32 0.00 0.82 0.00 0.00 66.70 64.43 1und h VAL 10 Cb 0.59 2.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1und h VAL 10 CO 0.03 0.76 -1.99 0.49 0.02 0.00 0.00 177.57 176.87 1und n PHE 11 N -3.41 0.58 -2.10 1.57 3.01 0.12 -4.98 117.46 112.26 1und n PHE 11 Ca 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 1und n PHE 11 Cb 0.81 -1.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.15 1und n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1und n GLY 12 N 1.64 -0.02 2.97 1.37 0.00 -0.46 -4.97 105.19 105.72 1und n GLY 12 Ca -0.24 0.00 -0.15 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 -2.36 0.41 0.81 -0.61 -4.36 -1.26 -5.09 121.20 108.75 1und s ILE 13 Ca 0.00 -0.33 -0.11 0.00 -0.26 0.00 0.00 60.65 59.95 1und s ILE 13 Cb 0.00 -0.37 0.08 0.00 1.25 0.00 0.00 42.46 43.42 1und s ILE 13 CO 0.00 0.05 1.09 0.28 0.24 0.00 0.00 174.94 176.60 1und s THR 14 N -0.28 3.10 0.27 8.37 -1.32 -1.26 -4.56 115.64 119.96 1und s THR 14 Ca 0.00 0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.84 1und s THR 14 Cb -0.03 -2.82 0.25 0.00 -1.51 0.00 0.00 72.50 68.39 1und s THR 14 CO -0.00 -0.47 1.81 -0.09 -2.21 0.00 0.00 174.62 173.66 1und h ARG 15 N -1.27 0.83 0.31 7.08 2.43 -1.98 0.13 114.38 121.91 1und h ARG 15 Ca -0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1und h ARG 15 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1und h ARG 15 CO 0.52 0.55 -0.15 0.78 -1.51 0.00 0.00 179.97 180.16 1und h GLY 16 N 0.86 -0.44 1.16 2.80 0.00 -1.98 -0.96 103.07 104.51 1und h GLY 16 Ca 0.46 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.91 1und h GLY 16 CO -0.28 -0.16 0.24 -1.61 0.00 0.00 0.00 176.54 174.73 1und h GLN 17 N -0.71 1.06 -0.19 4.80 4.15 -1.89 -1.52 115.11 120.80 1und h GLN 17 Ca -0.04 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1und h GLN 17 Cb 0.49 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1und h GLN 17 CO 0.07 0.88 0.08 0.35 -1.93 0.00 0.00 178.83 178.29 1und h PHE 18 N 1.03 0.28 0.00 3.99 3.57 -0.75 -0.02 116.94 125.03 1und h PHE 18 Ca 0.23 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1und h PHE 18 Cb 0.25 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1und h PHE 18 CO 0.02 0.31 0.00 0.00 -2.23 0.00 0.00 178.31 176.41 1und h ALA 19 N 0.94 1.00 0.12 2.41 0.00 -0.87 -2.34 119.26 120.52 1und h ALA 19 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 1und h ALA 19 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1und h ALA 19 CO -0.01 0.00 -1.49 0.00 0.00 0.00 0.00 179.25 177.75 1und h ALA 20 N 2.01 0.25 -2.91 0.00 0.00 -0.65 -3.47 119.26 114.50 1und h ALA 20 Ca 0.00 -1.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.28 1und h ALA 20 Cb 0.26 0.24 0.16 0.00 0.00 0.00 0.00 17.79 18.46 1und h ALA 20 CO 0.00 1.12 0.45 -0.51 0.00 0.00 0.00 179.25 180.31 1und s LEU 21 N -7.00 3.43 0.43 0.00 1.43 -0.08 -4.94 118.68 111.96 1und s LEU 21 Ca -0.08 2.52 -0.24 0.00 -1.03 0.00 0.00 54.13 55.30 1und s LEU 21 Cb 0.07 -4.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 1und s LEU 21 CO 0.86 -2.20 1.00 -2.65 0.23 0.00 0.00 176.35 173.58 1und n PRO 22 N -2.36 1.30 -0.09 1.29 -0.02 -1.26 -4.74 135.00 129.12 1und n PRO 22 Ca 0.15 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.30 1und n PRO 22 Cb 0.49 -2.04 0.63 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.45 0.28 0.60 -1.23 0.00 -1.92 -0.13 103.07 102.12 1und h GLY 23 Ca -0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1und h GLY 23 CO 0.56 0.02 -0.03 0.11 0.00 0.00 0.00 176.54 177.20 1und h TRP 24 N 0.16 -0.07 -0.15 5.60 5.08 -1.99 -1.74 115.95 122.82 1und h TRP 24 Ca 0.33 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.27 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 0.32 -0.03 -0.22 -1.28 0.00 0.00 178.44 177.23 1und h LYS 25 N -0.48 0.22 0.72 0.12 1.63 -1.53 0.11 116.57 117.36 1und h LYS 25 Ca -0.01 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1und h LYS 25 Cb 0.43 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1und h LYS 25 CO 0.01 0.27 -0.35 1.96 -3.45 0.00 0.00 179.45 177.90 1und h GLN 26 N 0.22 -0.94 -0.49 1.90 4.20 -1.03 -1.16 115.11 117.81 1und h GLN 26 Ca 0.05 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1und h GLN 26 Cb 0.20 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1und h GLN 26 CO 0.01 -0.60 0.07 1.37 -0.67 0.00 0.00 178.83 179.01 1und h LEU 27 N -1.08 0.72 0.21 1.46 8.10 -0.90 -1.50 115.31 122.32 1und h LEU 27 Ca -0.10 -0.14 -0.00 0.00 0.11 0.00 0.00 57.88 57.75 1und h LEU 27 Cb 0.77 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.79 1und h LEU 27 CO 0.16 0.75 -0.17 -0.61 -4.11 0.00 0.00 178.44 174.46 1und h GLN 28 N 0.73 -0.38 -0.50 0.17 -0.00 -0.80 -1.05 115.11 113.29 1und h GLN 28 Ca 0.16 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.85 1und h GLN 28 Cb 0.34 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.88 1und h GLN 28 CO 0.01 -0.25 0.30 0.52 0.00 0.00 0.00 178.83 179.41 1und h MET 29 N -0.39 0.58 -0.16 1.69 2.86 -0.82 0.84 114.93 119.53 1und h MET 29 Ca -0.01 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1und h MET 29 Cb 0.35 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1und h MET 29 CO -0.01 0.39 -0.19 0.87 1.06 0.00 0.00 176.91 179.02 1und h LYS 30 N 0.60 -0.22 -0.68 1.72 1.79 -1.13 -0.54 116.57 118.11 1und h LYS 30 Ca 0.20 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1und h LYS 30 Cb 0.02 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1und h LYS 30 CO -0.09 -0.14 0.43 0.87 -1.08 0.00 0.00 179.45 179.44 1und h LYS 31 N -0.23 0.91 0.15 3.15 1.79 -0.82 -1.31 116.57 120.22 1und h LYS 31 Ca 0.11 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1und h LYS 31 Cb 0.39 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1und h LYS 31 CO -0.30 0.62 -0.07 0.93 -1.08 0.00 0.00 179.45 179.55 1und h GLU 32 N 0.93 -0.19 -0.05 3.15 5.08 -0.44 0.10 114.58 123.15 1und h GLU 32 Ca 0.25 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1und h GLU 32 Cb -0.07 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1und h GLU 32 CO -0.05 0.23 0.04 0.87 -1.00 0.00 0.00 179.01 179.11 1und h LYS 33 N -0.73 0.00 0.00 2.33 6.56 -1.18 -3.21 116.57 120.33 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 0.03 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.83 1und n GLY 34 N -1.49 -2.46 0.66 3.86 0.00 -0.49 -4.94 105.19 100.33 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 0.00 -0.41 -0.89 0.99 -0.00 0.20 -5.08 117.00 111.82 1und n LEU 35 Ca 0.00 -1.25 0.12 0.00 -0.00 0.00 0.00 56.01 54.89 1und n LEU 35 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 1und n LEU 35 CO 0.00 1.12 0.67 0.33 -0.00 0.00 0.00 177.39 179.51