#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 -4.47 -4.75 2.98 4.32 -1.26 -4.94 117.00 108.89 1und n LEU 2 Ca 0.00 -0.51 -0.42 0.00 -0.02 0.00 0.00 56.01 55.06 1und n LEU 2 Cb 0.00 -2.54 -0.02 0.00 -1.62 0.00 0.00 43.42 39.24 1und n LEU 2 CO 0.00 -0.39 1.25 -0.44 -1.22 0.00 0.00 177.39 176.59 1und s SER 3 N -3.02 6.39 0.48 -1.43 0.01 -1.26 -4.69 113.70 110.17 1und s SER 3 Ca 0.03 2.93 0.30 0.00 1.31 0.00 0.00 55.95 60.51 1und s SER 3 Cb -0.01 -2.63 1.38 0.00 0.21 0.00 0.00 66.02 64.97 1und s SER 3 CO 0.82 -0.91 1.75 -0.33 0.41 0.00 0.00 173.24 174.98 1und h GLU 4 N 5.05 0.15 0.09 12.44 4.39 -1.98 0.24 114.58 134.95 1und h GLU 4 Ca -0.47 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 1und h GLU 4 Cb 1.22 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1und h GLU 4 CO 0.81 0.10 -0.53 1.96 -1.16 0.00 0.00 179.01 180.19 1und h GLN 5 N 0.16 0.21 -0.92 2.33 7.50 -1.99 -2.23 115.11 120.16 1und h GLN 5 Ca 0.64 -0.34 0.06 0.00 0.50 0.00 0.00 58.65 59.51 1und h GLN 5 Cb 2.14 0.12 -0.06 0.00 0.05 0.00 0.00 27.48 29.73 1und h GLN 5 CO -0.18 1.15 0.59 0.22 -1.50 0.00 0.00 178.83 179.11 1und h ASP 6 N -0.56 0.95 0.19 1.46 3.58 -1.32 -0.24 116.42 120.48 1und h ASP 6 Ca -0.09 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.38 1und h ASP 6 Cb 1.40 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 1und h ASP 6 CO 0.10 0.62 -0.44 0.15 -2.88 0.00 0.00 179.24 176.79 1und h PHE 7 N 1.09 -1.23 -0.57 0.28 3.04 -0.73 -0.53 116.94 118.29 1und h PHE 7 Ca 0.39 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.42 1und h PHE 7 Cb 0.13 0.51 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 1und h PHE 7 CO -0.02 -0.55 0.38 0.28 -2.02 0.00 0.00 178.31 176.39 1und h VAL 8 N -0.72 1.01 -0.56 1.41 2.07 -0.72 0.27 116.25 119.02 1und h VAL 8 Ca 0.00 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1und h VAL 8 Cb 0.71 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1und h VAL 8 CO -0.21 0.11 0.15 -1.28 0.02 0.00 0.00 177.57 176.36 1und h SER 9 N 0.58 0.85 0.54 0.57 0.87 -0.38 -0.12 113.55 116.45 1und h SER 9 Ca 0.24 -0.22 -0.29 0.00 -1.23 0.00 0.00 61.79 60.29 1und h SER 9 Cb 0.23 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1und h SER 9 CO -0.07 0.85 -1.34 0.58 -0.53 0.00 0.00 176.83 176.32 1und h VAL 10 N 0.80 1.39 0.10 2.23 2.07 -0.18 -3.37 116.25 119.29 1und h VAL 10 Ca 0.18 -2.96 -0.22 0.00 0.82 0.00 0.00 66.70 64.52 1und h VAL 10 Cb 0.32 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1und h VAL 10 CO -0.00 0.87 -1.08 -0.26 0.02 0.00 0.00 177.57 177.11 1und h PHE 11 N 0.08 0.39 0.00 1.57 -1.00 -0.52 -3.48 116.94 113.98 1und h PHE 11 Ca -0.18 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1und h PHE 11 Cb 2.01 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.56 1und h PHE 11 CO 0.07 1.42 0.00 0.41 -1.61 0.00 0.00 178.31 178.60 1und n GLY 12 N 1.68 0.48 0.00 -1.45 0.00 -0.06 -5.05 105.19 100.79 1und n GLY 12 Ca -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1und n GLY 12 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1und n ILE 13 N -2.93 0.00 -4.40 -0.61 -5.35 -1.26 -5.08 119.36 99.73 1und n ILE 13 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1und n ILE 13 Cb 0.00 -0.48 -0.11 0.00 -1.74 0.00 0.00 39.64 37.32 1und n ILE 13 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1und s THR 14 N 1.46 2.14 0.30 7.28 -1.32 -1.26 -4.72 115.64 119.53 1und s THR 14 Ca 0.00 -2.20 0.03 0.00 -1.21 0.00 0.00 61.69 58.30 1und s THR 14 Cb 0.00 -2.12 0.29 0.00 -1.51 0.00 0.00 72.50 69.16 1und s THR 14 CO 0.00 -0.39 1.86 -0.09 -2.21 0.00 0.00 174.62 173.79 1und h ARG 15 N 2.68 0.91 0.49 7.08 2.43 -1.98 0.35 114.38 126.35 1und h ARG 15 Ca -0.41 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1und h ARG 15 Cb 1.23 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1und h ARG 15 CO 0.57 0.61 -0.24 0.78 -1.51 0.00 0.00 179.97 180.18 1und h GLY 16 N 0.94 -0.69 1.00 2.80 0.00 -1.98 -0.31 103.07 104.83 1und h GLY 16 Ca 0.46 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 48.02 1und h GLY 16 CO -0.23 -0.25 0.27 -1.61 0.00 0.00 0.00 176.54 174.72 1und h GLN 17 N -0.76 0.92 -0.53 4.80 4.15 -1.92 -2.17 115.11 119.61 1und h GLN 17 Ca -0.07 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.25 1und h GLN 17 Cb 0.55 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 1und h GLN 17 CO 0.11 0.76 0.26 0.35 -1.93 0.00 0.00 178.83 178.39 1und h PHE 18 N 0.86 0.48 0.00 3.99 3.57 -0.91 0.97 116.94 125.91 1und h PHE 18 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1und h PHE 18 Cb 0.17 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1und h PHE 18 CO 0.01 0.23 0.00 0.00 -2.23 0.00 0.00 178.31 176.32 1und h ALA 19 N 1.29 1.00 0.00 2.41 0.00 -0.71 -2.32 119.26 120.92 1und h ALA 19 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1und h ALA 19 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1und h ALA 19 CO -0.17 0.00 -1.36 0.00 0.00 0.00 0.00 179.25 177.73 1und h ALA 20 N 2.03 0.65 -3.00 0.00 0.00 -0.54 -3.47 119.26 114.93 1und h ALA 20 Ca 0.00 -1.07 -0.55 0.00 0.00 0.00 0.00 54.91 53.29 1und h ALA 20 Cb 0.35 0.24 0.13 0.00 0.00 0.00 0.00 17.79 18.51 1und h ALA 20 CO 0.00 1.23 0.64 -0.51 0.00 0.00 0.00 179.25 180.61 1und s LEU 21 N -6.16 3.96 0.43 0.00 1.43 0.20 -4.93 118.68 113.61 1und s LEU 21 Ca -0.02 2.81 -0.24 0.00 -1.03 0.00 0.00 54.13 55.64 1und s LEU 21 Cb 0.09 -4.13 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 1und s LEU 21 CO 0.81 -1.38 1.08 -2.65 0.23 0.00 0.00 176.35 174.44 1und n PRO 22 N -0.67 1.48 -0.10 1.29 -0.02 -1.26 -4.71 135.00 131.01 1und n PRO 22 Ca 0.08 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 1und n PRO 22 Cb 0.44 -2.15 0.60 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.62 0.36 0.70 -1.23 0.00 -1.93 0.47 103.07 103.06 1und h GLY 23 Ca -0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1und h GLY 23 CO 0.57 0.03 -0.02 0.11 0.00 0.00 0.00 176.54 177.23 1und h TRP 24 N 0.21 -0.04 -0.49 5.60 5.08 -1.99 -1.50 115.95 122.82 1und h TRP 24 Ca 0.33 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.29 1und h TRP 24 Cb 0.99 0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.14 1und h TRP 24 CO -0.00 0.25 0.27 -0.22 -1.28 0.00 0.00 178.44 177.47 1und h LYS 25 N -0.34 0.66 0.41 0.12 1.63 -1.41 0.46 116.57 118.10 1und h LYS 25 Ca -0.00 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1und h LYS 25 Cb 0.32 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1und h LYS 25 CO 0.01 0.48 -0.20 1.96 -3.45 0.00 0.00 179.45 178.25 1und h GLN 26 N 0.67 -0.54 -0.70 1.90 4.20 -0.85 -0.57 115.11 119.23 1und h GLN 26 Ca 0.17 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1und h GLN 26 Cb 0.01 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1und h GLN 26 CO -0.03 -0.30 0.20 1.37 -0.67 0.00 0.00 178.83 179.40 1und h LEU 27 N -0.66 1.03 0.30 1.46 8.10 -0.91 -2.45 115.31 122.18 1und h LEU 27 Ca -0.06 -0.22 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 1und h LEU 27 Cb 0.48 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1und h LEU 27 CO 0.09 0.98 -0.19 -0.61 -4.11 0.00 0.00 178.44 174.60 1und h GLN 28 N 1.04 -0.45 -0.66 0.17 4.15 -0.88 -2.24 115.11 116.23 1und h GLN 28 Ca 0.22 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.69 1und h GLN 28 Cb 0.33 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1und h GLN 28 CO -0.00 -0.30 0.42 0.52 -1.93 0.00 0.00 178.83 177.54 1und h MET 29 N -0.47 0.82 -0.14 1.69 2.86 -1.01 0.67 114.93 119.35 1und h MET 29 Ca -0.03 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1und h MET 29 Cb 0.40 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1und h MET 29 CO 0.02 0.54 -0.03 0.87 1.06 0.00 0.00 176.91 179.38 1und h LYS 30 N 0.85 0.01 0.00 1.72 1.57 -1.34 -0.91 116.57 118.47 1und h LYS 30 Ca 0.25 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1und h LYS 30 Cb -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1und h LYS 30 CO -0.08 0.01 -0.49 1.57 -0.57 0.00 0.00 179.45 179.89 1und h LYS 31 N 0.01 0.00 0.10 3.15 2.10 -0.98 -1.49 116.57 119.46 1und h LYS 31 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1und h LYS 31 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1und h LYS 31 CO -0.14 0.49 -0.05 0.93 -2.00 0.00 0.00 179.45 178.68 1und h GLU 32 N 0.00 -0.13 -0.14 0.07 4.39 -0.59 0.91 114.58 119.09 1und h GLU 32 Ca -0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1und h GLU 32 Cb 0.92 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1und h GLU 32 CO 0.06 0.16 0.11 0.87 -1.16 0.00 0.00 179.01 179.06 1und h LYS 33 N -0.42 0.00 0.00 2.33 6.56 -1.12 -3.22 116.57 120.70 1und h LYS 33 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1und h LYS 33 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 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 -1.51 -2.13 0.61 3.86 0.00 -0.57 -4.96 105.19 100.49 1und n GLY 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.35 -0.43 0.99 -0.00 0.15 -5.08 117.00 112.27 1und n LEU 35 Ca 0.00 -1.13 0.14 0.00 -0.00 0.00 0.00 56.01 55.02 1und n LEU 35 Cb 0.00 0.00 0.57 0.00 -0.00 0.00 0.00 43.42 43.99 1und n LEU 35 CO 0.00 1.06 0.89 0.33 -0.00 0.00 0.00 177.39 179.68