#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 -6.43 -4.72 -3.48 4.32 -1.26 -4.94 117.00 100.49 1und n LEU 2 Ca 0.00 0.25 -0.42 0.00 -0.02 0.00 0.00 56.01 55.81 1und n LEU 2 Cb 0.00 -2.95 -0.01 0.00 -1.62 0.00 0.00 43.42 38.84 1und n LEU 2 CO 0.00 -1.60 1.06 -1.20 -1.22 0.00 0.00 177.39 174.43 1und n SER 3 N -0.58 3.27 0.29 -1.43 7.64 -1.26 -4.71 113.62 116.84 1und n SER 3 Ca 0.04 1.19 0.18 0.00 1.01 0.00 0.00 58.87 61.29 1und n SER 3 Cb 0.52 -1.53 0.98 0.00 -1.01 0.00 0.00 64.21 63.17 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 3.43 0.00 0.03 1.43 5.08 -1.98 0.19 114.58 122.77 1und h GLU 4 Ca -0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1und h GLU 4 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1und h GLU 4 CO 0.69 0.00 -0.21 1.96 -1.00 0.00 0.00 179.01 180.45 1und h GLN 5 N 0.00 0.09 -0.91 2.33 7.50 -1.99 -2.16 115.11 119.97 1und h GLN 5 Ca 0.03 -0.14 0.05 0.00 0.50 0.00 0.00 58.65 59.09 1und h GLN 5 Cb 0.23 0.05 -0.06 0.00 0.05 0.00 0.00 27.48 27.75 1und h GLN 5 CO -0.00 1.03 0.60 -0.44 -1.50 0.00 0.00 178.83 178.52 1und h ASP 6 N -0.78 0.96 0.40 1.46 5.19 -1.58 -1.25 116.42 120.82 1und h ASP 6 Ca -0.04 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1und h ASP 6 Cb 1.13 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1und h ASP 6 CO 0.04 0.64 -0.43 0.15 -3.12 0.00 0.00 179.24 176.52 1und h PHE 7 N 1.10 -1.17 -0.88 4.55 3.04 -0.77 -1.47 116.94 121.35 1und h PHE 7 Ca 0.38 0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.50 1und h PHE 7 Cb 0.09 0.46 -0.07 0.00 2.56 0.00 0.00 35.95 38.99 1und h PHE 7 CO -0.00 -0.58 0.57 0.28 -2.02 0.00 0.00 178.31 176.56 1und h VAL 8 N -0.85 0.76 -0.65 1.41 2.07 -0.65 0.35 116.25 118.69 1und h VAL 8 Ca -0.04 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1und h VAL 8 Cb 0.76 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1und h VAL 8 CO -0.08 0.10 0.10 -1.28 0.02 0.00 0.00 177.57 176.44 1und h SER 9 N 0.55 1.02 0.60 0.57 0.87 -0.63 0.03 113.55 116.56 1und h SER 9 Ca 0.45 -0.24 -0.28 0.00 -1.23 0.00 0.00 61.79 60.50 1und h SER 9 Cb 0.91 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1und h SER 9 CO -0.19 1.01 -1.45 0.58 -0.53 0.00 0.00 176.83 176.25 1und h VAL 10 N 1.00 1.21 0.00 2.23 2.07 -0.05 -3.40 116.25 119.32 1und h VAL 10 Ca 0.20 -2.93 -0.32 0.00 0.82 0.00 0.00 66.70 64.47 1und h VAL 10 Cb 0.43 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1und h VAL 10 CO 0.01 0.78 -1.73 0.49 0.02 0.00 0.00 177.57 177.14 1und n PHE 11 N -3.32 0.68 -0.89 1.57 3.01 0.10 -5.00 117.46 113.62 1und n PHE 11 Ca -0.12 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1und n PHE 11 Cb 1.02 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 1.40 0.57 3.38 1.37 0.00 -0.01 -5.05 105.19 106.87 1und n GLY 12 Ca -0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.08 2.48 0.75 -0.61 -4.36 -1.26 -5.08 121.20 111.03 1und s ILE 13 Ca 0.00 -1.02 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 1und s ILE 13 Cb 0.00 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.83 1und s ILE 13 CO 0.00 0.54 1.10 0.28 0.24 0.00 0.00 174.94 177.10 1und s THR 14 N -0.70 3.19 0.29 8.37 -1.32 -1.26 -4.41 115.64 119.80 1und s THR 14 Ca 0.11 0.44 0.04 0.00 -1.21 0.00 0.00 61.69 61.07 1und s THR 14 Cb -0.10 -2.91 0.29 0.00 -1.51 0.00 0.00 72.50 68.27 1und s THR 14 CO 0.00 -0.45 1.81 -0.09 -2.21 0.00 0.00 174.62 173.68 1und h ARG 15 N -0.80 0.85 0.27 7.08 2.43 -1.99 -0.14 114.38 122.08 1und h ARG 15 Ca -0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1und h ARG 15 Cb 1.24 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1und h ARG 15 CO 0.51 0.56 -0.13 0.78 -1.51 0.00 0.00 179.97 180.19 1und h GLY 16 N 0.88 -0.38 0.97 2.80 0.00 -1.98 -0.63 103.07 104.73 1und h GLY 16 Ca 0.54 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.96 1und h GLY 16 CO -0.32 -0.14 0.09 -1.61 0.00 0.00 0.00 176.54 174.56 1und h GLN 17 N -0.44 0.78 -0.37 4.80 4.15 -1.79 -1.23 115.11 121.01 1und h GLN 17 Ca -0.04 -0.20 0.06 0.00 0.77 0.00 0.00 58.65 59.24 1und h GLN 17 Cb 0.33 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 1und h GLN 17 CO 0.06 0.78 0.06 0.35 -1.93 0.00 0.00 178.83 178.15 1und h PHE 18 N 0.65 0.09 0.00 3.99 3.57 -1.04 0.80 116.94 125.00 1und h PHE 18 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1und h PHE 18 Cb 0.37 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1und h PHE 18 CO 0.03 -0.01 0.00 0.00 -2.23 0.00 0.00 178.31 176.10 1und h ALA 19 N 1.29 1.00 0.09 2.41 0.00 -0.77 -2.43 119.26 120.85 1und h ALA 19 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1und h ALA 19 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1und h ALA 19 CO -0.25 0.00 -1.46 0.00 0.00 0.00 0.00 179.25 177.53 1und h ALA 20 N 2.02 0.34 -2.98 0.00 0.00 -0.18 -3.47 119.26 115.00 1und h ALA 20 Ca 0.00 -1.12 -0.54 0.00 0.00 0.00 0.00 54.91 53.25 1und h ALA 20 Cb 0.36 0.23 0.12 0.00 0.00 0.00 0.00 17.79 18.50 1und h ALA 20 CO 0.00 1.21 0.64 -0.51 0.00 0.00 0.00 179.25 180.59 1und s LEU 21 N -6.84 4.00 0.47 0.00 1.43 0.17 -4.94 118.68 112.98 1und s LEU 21 Ca -0.07 2.79 -0.23 0.00 -1.03 0.00 0.00 54.13 55.60 1und s LEU 21 Cb 0.07 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 1und s LEU 21 CO 0.84 -1.31 1.00 -2.65 0.23 0.00 0.00 176.35 174.46 1und n PRO 22 N -0.56 1.26 -0.21 1.29 -0.02 -1.26 -4.71 135.00 130.80 1und n PRO 22 Ca 0.07 0.46 0.21 0.00 -2.02 0.00 0.00 63.50 62.22 1und n PRO 22 Cb 0.44 -2.08 0.57 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.29 0.61 0.66 -1.23 0.00 -1.92 0.38 103.07 102.87 1und h GLY 23 Ca -0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1und h GLY 23 CO 0.55 -0.00 -0.01 0.11 0.00 0.00 0.00 176.54 177.19 1und h TRP 24 N 0.29 0.07 -0.77 5.60 5.08 -1.99 -1.57 115.95 122.66 1und h TRP 24 Ca 0.44 -0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.39 1und h TRP 24 Cb 1.27 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 27.38 1und h TRP 24 CO -0.00 0.41 0.46 -0.22 -1.28 0.00 0.00 178.44 177.81 1und h LYS 25 N -0.30 1.04 0.55 0.12 1.63 -1.48 -0.21 116.57 117.92 1und h LYS 25 Ca 0.01 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1und h LYS 25 Cb 0.39 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1und h LYS 25 CO 0.00 0.73 -0.29 1.96 -3.45 0.00 0.00 179.45 178.39 1und h GLN 26 N 1.06 -0.76 -0.54 1.90 4.20 -0.88 -1.10 115.11 119.00 1und h GLN 26 Ca 0.28 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 1und h GLN 26 Cb -0.04 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1und h GLN 26 CO -0.05 -0.50 0.10 1.37 -0.67 0.00 0.00 178.83 179.08 1und h LEU 27 N -0.78 0.78 0.17 1.46 8.10 -1.05 -2.45 115.31 121.54 1und h LEU 27 Ca -0.07 -0.15 -0.01 0.00 0.11 0.00 0.00 57.88 57.76 1und h LEU 27 Cb 0.62 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1und h LEU 27 CO 0.10 0.79 -0.08 -0.61 -4.11 0.00 0.00 178.44 174.52 1und h GLN 28 N 0.80 -0.22 -0.60 0.17 4.15 -0.87 -2.59 115.11 115.95 1und h GLN 28 Ca 0.17 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1und h GLN 28 Cb 0.33 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.00 1und h GLN 28 CO 0.00 -0.04 0.25 0.52 -1.93 0.00 0.00 178.83 177.64 1und h MET 29 N -0.37 0.44 -0.15 1.69 2.86 -1.03 0.81 114.93 119.18 1und h MET 29 Ca -0.02 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1und h MET 29 Cb 0.29 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 1und h MET 29 CO 0.04 0.29 -0.34 0.87 1.06 0.00 0.00 176.91 178.84 1und h LYS 30 N 0.46 -0.39 -0.42 1.72 1.79 -1.35 -1.28 116.57 117.11 1und h LYS 30 Ca 0.29 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.71 1und h LYS 30 Cb 0.32 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1und h LYS 30 CO -0.27 -0.26 -0.09 0.87 -1.08 0.00 0.00 179.45 178.62 1und h LYS 31 N -0.40 0.73 -0.27 3.15 1.57 -1.04 -2.95 116.57 117.37 1und h LYS 31 Ca 0.10 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1und h LYS 31 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1und h LYS 31 CO -0.37 0.80 -0.03 0.93 -0.57 0.00 0.00 179.45 180.21 1und h GLU 32 N 0.67 0.49 -0.09 3.15 5.08 0.01 0.13 114.58 124.01 1und h GLU 32 Ca 0.12 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1und h GLU 32 Cb 0.55 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1und h GLU 32 CO 0.03 0.67 0.07 0.87 -1.00 0.00 0.00 179.01 179.66 1und h LYS 33 N 0.25 0.00 0.00 2.33 6.56 -1.25 -3.27 116.57 121.19 1und h LYS 33 Ca 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1und h LYS 33 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1und h LYS 33 CO 0.02 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.82 1und n GLY 34 N -1.47 -0.56 0.79 3.86 0.00 -0.55 -4.99 105.19 102.28 1und n GLY 34 Ca -0.01 0.00 -0.04 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 -0.61 0.00 0.99 -0.00 0.31 -5.10 117.00 112.59 1und n LEU 35 Ca 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 56.01 54.72 1und n LEU 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1und n LEU 35 CO 0.00 1.15 0.00 0.33 -0.00 0.00 0.00 177.39 178.87