#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 -6.57 -4.76 2.98 4.32 -1.26 -4.95 117.00 106.76 1und n LEU 2 Ca 0.00 0.52 -0.41 0.00 -0.02 0.00 0.00 56.01 56.10 1und n LEU 2 Cb 0.00 -2.91 -0.01 0.00 -1.62 0.00 0.00 43.42 38.87 1und n LEU 2 CO 0.00 -1.95 1.14 -0.44 -1.22 0.00 0.00 177.39 174.92 1und s SER 3 N -2.12 6.46 0.60 -1.43 0.01 -1.26 -4.75 113.70 111.21 1und s SER 3 Ca 0.23 2.91 0.30 0.00 1.31 0.00 0.00 55.95 60.69 1und s SER 3 Cb -0.05 -2.65 1.66 0.00 0.21 0.00 0.00 66.02 65.20 1und s SER 3 CO 0.75 -0.81 2.06 -0.33 0.41 0.00 0.00 173.24 175.33 1und h GLU 4 N 3.94 0.00 0.04 12.44 4.39 -1.98 0.18 114.58 133.59 1und h GLU 4 Ca -0.49 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 1und h GLU 4 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1und h GLU 4 CO 0.71 0.00 -0.42 1.96 -1.16 0.00 0.00 179.01 180.10 1und h GLN 5 N 0.00 0.09 -0.94 2.33 7.50 -2.00 -3.09 115.11 119.01 1und h GLN 5 Ca 0.10 -0.16 0.07 0.00 0.50 0.00 0.00 58.65 59.16 1und h GLN 5 Cb 0.60 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 28.12 1und h GLN 5 CO -0.00 1.07 0.61 0.22 -1.50 0.00 0.00 178.83 179.23 1und h ASP 6 N -0.80 0.94 -0.21 1.46 1.82 -1.55 -1.30 116.42 116.79 1und h ASP 6 Ca -0.09 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.61 1und h ASP 6 Cb 1.24 -0.19 -0.07 0.00 0.68 0.00 0.00 39.33 40.98 1und h ASP 6 CO 0.02 0.60 -0.38 0.15 -1.61 0.00 0.00 179.24 178.03 1und h PHE 7 N 1.07 -1.06 -0.07 0.28 3.04 -0.84 -0.89 116.94 118.47 1und h PHE 7 Ca 0.41 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 1und h PHE 7 Cb 0.20 0.50 -0.00 0.00 2.56 0.00 0.00 35.95 39.20 1und h PHE 7 CO -0.00 -0.43 -0.01 0.28 -2.02 0.00 0.00 178.31 176.13 1und h VAL 8 N -0.40 1.05 -0.08 1.41 2.07 -1.16 0.39 116.25 119.53 1und h VAL 8 Ca 0.10 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1und h VAL 8 Cb 0.58 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1und h VAL 8 CO -0.43 0.07 -0.01 -1.28 0.02 0.00 0.00 177.57 175.94 1und h SER 9 N 0.09 0.14 0.49 0.57 0.87 -0.77 0.34 113.55 115.30 1und h SER 9 Ca 0.02 -0.34 -0.16 0.00 -1.23 0.00 0.00 61.79 60.09 1und h SER 9 Cb 0.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1und h SER 9 CO 0.00 0.45 -0.69 0.58 -0.53 0.00 0.00 176.83 176.64 1und h VAL 10 N -0.16 1.44 0.00 2.23 2.07 -0.40 -3.18 116.25 118.25 1und h VAL 10 Ca 0.02 -2.23 -0.08 0.00 0.82 0.00 0.00 66.70 65.23 1und h VAL 10 Cb 0.38 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1und h VAL 10 CO 0.01 0.65 -0.90 -0.26 0.02 0.00 0.00 177.57 177.08 1und h PHE 11 N 0.12 0.00 -3.42 1.57 -1.00 -0.30 -3.48 116.94 110.42 1und h PHE 11 Ca -0.02 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.52 1und h PHE 11 Cb 1.24 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.77 1und h PHE 11 CO 0.02 0.32 -0.29 0.41 -1.61 0.00 0.00 178.31 177.16 1und n GLY 12 N 1.26 -0.20 3.09 -1.45 0.00 0.11 -4.96 105.19 103.03 1und n GLY 12 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.49 0.03 0.80 -0.61 -4.36 -1.23 -5.06 121.20 108.27 1und s ILE 13 Ca 0.00 -0.25 -0.11 0.00 -0.26 0.00 0.00 60.65 60.03 1und s ILE 13 Cb 0.00 -0.34 0.08 0.00 1.25 0.00 0.00 42.46 43.45 1und s ILE 13 CO 0.00 -0.14 1.12 0.28 0.24 0.00 0.00 174.94 176.44 1und s THR 14 N -0.46 2.83 0.28 8.37 -1.32 -1.26 -4.48 115.64 119.60 1und s THR 14 Ca -0.05 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1und s THR 14 Cb -0.04 -2.65 0.27 0.00 -1.51 0.00 0.00 72.50 68.58 1und s THR 14 CO 0.01 -0.33 1.83 -0.09 -2.21 0.00 0.00 174.62 173.83 1und h ARG 15 N -1.15 0.93 0.35 7.08 2.43 -1.97 0.13 114.38 122.18 1und h ARG 15 Ca -0.44 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1und h ARG 15 Cb 1.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1und h ARG 15 CO 0.48 0.62 -0.17 0.78 -1.51 0.00 0.00 179.97 180.18 1und h GLY 16 N 0.96 -0.48 1.23 2.80 0.00 -1.99 -1.48 103.07 104.12 1und h GLY 16 Ca 0.48 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.93 1und h GLY 16 CO -0.26 -0.18 0.12 -1.61 0.00 0.00 0.00 176.54 174.61 1und h GLN 17 N -0.69 0.95 -0.08 4.80 4.15 -1.87 -2.06 115.11 120.31 1und h GLN 17 Ca -0.05 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.16 1und h GLN 17 Cb 0.48 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1und h GLN 17 CO 0.08 0.86 0.01 0.35 -1.93 0.00 0.00 178.83 178.20 1und h PHE 18 N 0.90 0.02 0.00 3.99 3.04 -0.76 0.28 116.94 124.42 1und h PHE 18 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1und h PHE 18 Cb 0.36 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1und h PHE 18 CO 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.32 1und h ALA 19 N 1.06 1.00 0.08 2.41 0.00 -0.93 -2.19 119.26 120.68 1und h ALA 19 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1und h ALA 19 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1und h ALA 19 CO -0.05 0.00 -1.55 0.00 0.00 0.00 0.00 179.25 177.65 1und h ALA 20 N 2.02 0.42 -2.72 0.00 0.00 -0.66 -3.48 119.26 114.84 1und h ALA 20 Ca 0.00 -1.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.17 1und h ALA 20 Cb 0.23 0.32 0.16 0.00 0.00 0.00 0.00 17.79 18.50 1und h ALA 20 CO 0.00 1.28 0.40 -0.51 0.00 0.00 0.00 179.25 180.42 1und s LEU 21 N -6.74 3.31 0.44 0.00 1.43 0.02 -4.94 118.68 112.20 1und s LEU 21 Ca -0.08 2.39 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 1und s LEU 21 Cb 0.07 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1und s LEU 21 CO 0.83 -2.33 0.93 -2.65 0.23 0.00 0.00 176.35 173.37 1und n PRO 22 N -2.76 1.18 -0.17 1.29 -0.02 -1.26 -4.72 135.00 128.54 1und n PRO 22 Ca 0.14 0.43 0.21 0.00 -2.02 0.00 0.00 63.50 62.25 1und n PRO 22 Cb 0.50 -1.98 0.59 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.48 0.60 -1.23 0.00 -1.93 0.05 103.07 102.34 1und h GLY 23 Ca -0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1und h GLY 23 CO 0.55 0.01 -0.04 0.11 0.00 0.00 0.00 176.54 177.17 1und h TRP 24 N 0.24 -0.11 -0.27 5.60 5.08 -1.99 -1.50 115.95 122.99 1und h TRP 24 Ca 0.40 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.35 1und h TRP 24 Cb 1.21 0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 1und h TRP 24 CO -0.00 0.28 0.09 -0.22 -1.28 0.00 0.00 178.44 177.31 1und h LYS 25 N -0.52 0.38 0.81 0.12 1.63 -1.58 0.81 116.57 118.21 1und h LYS 25 Ca -0.01 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1und h LYS 25 Cb 0.44 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1und h LYS 25 CO 0.02 0.33 -0.39 1.96 -3.45 0.00 0.00 179.45 177.92 1und h GLN 26 N 0.38 -1.05 -0.64 1.90 4.20 -0.98 -0.97 115.11 117.95 1und h GLN 26 Ca 0.10 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1und h GLN 26 Cb 0.11 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1und h GLN 26 CO -0.01 -0.69 0.28 1.37 -0.67 0.00 0.00 178.83 179.11 1und h LEU 27 N -1.18 0.84 0.34 1.46 8.10 -0.87 -1.25 115.31 122.75 1und h LEU 27 Ca -0.11 -0.10 -0.01 0.00 0.11 0.00 0.00 57.88 57.77 1und h LEU 27 Cb 0.85 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 1und h LEU 27 CO 0.18 0.74 -0.23 -0.61 -4.11 0.00 0.00 178.44 174.41 1und h GLN 28 N 0.92 -0.54 -0.72 0.17 4.15 -0.86 -1.40 115.11 116.83 1und h GLN 28 Ca 0.22 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.74 1und h GLN 28 Cb 0.15 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 1und h GLN 28 CO -0.02 -0.36 0.42 0.52 -1.93 0.00 0.00 178.83 177.45 1und h MET 29 N -0.56 0.74 -0.18 1.69 2.86 -0.77 0.10 114.93 118.81 1und h MET 29 Ca -0.03 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1und h MET 29 Cb 0.48 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1und h MET 29 CO 0.01 0.49 0.11 0.87 1.06 0.00 0.00 176.91 179.45 1und h LYS 30 N 0.76 0.21 -0.06 1.72 1.57 -1.01 -0.12 116.57 119.64 1und h LYS 30 Ca 0.32 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1und h LYS 30 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1und h LYS 30 CO -0.18 0.14 -0.45 1.57 -0.57 0.00 0.00 179.45 179.96 1und h LYS 31 N 0.22 0.15 0.28 3.15 2.10 -0.92 -0.38 116.57 121.16 1und h LYS 31 Ca 0.07 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1und h LYS 31 Cb -0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1und h LYS 31 CO -0.03 0.57 -0.13 0.93 -2.00 0.00 0.00 179.45 178.79 1und h GLU 32 N 0.12 -0.36 -0.36 0.07 4.39 -0.66 -0.50 114.58 117.28 1und h GLU 32 Ca 0.01 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1und h GLU 32 Cb 0.84 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1und h GLU 32 CO 0.06 -0.24 0.26 0.87 -1.16 0.00 0.00 179.01 178.81 1und h LYS 33 N -0.78 0.00 0.00 2.33 6.56 -1.13 0.70 116.57 124.25 1und h LYS 33 Ca -0.04 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1und h LYS 33 Cb 0.29 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1und h LYS 33 CO 0.06 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.86 1und n GLY 34 N -1.61 -2.10 1.94 3.86 0.00 -0.15 -4.62 105.19 102.51 1und n GLY 34 Ca 0.06 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.15 4.83 0.00 0.99 -0.00 -0.20 -5.07 117.00 117.40 1und n LEU 35 Ca 0.00 -4.70 0.00 0.00 -0.00 0.00 0.00 56.01 51.31 1und n LEU 35 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1und n LEU 35 CO 0.00 2.07 0.00 0.33 -0.00 0.00 0.00 177.39 179.79