#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 -0.34 0.44 -3.48 2.34 -1.26 -5.11 118.68 111.26 1und s LEU 2 Ca 0.00 0.55 -0.21 0.00 0.06 0.00 0.00 54.13 54.53 1und s LEU 2 Cb 0.00 1.51 -0.13 0.00 -0.56 0.00 0.00 46.19 47.01 1und s LEU 2 CO 0.00 -0.09 0.35 -1.20 -1.06 0.00 0.00 176.35 174.35 1und n SER 3 N 3.39 -1.75 0.07 1.48 7.64 -1.26 -4.43 113.62 118.76 1und n SER 3 Ca -0.18 0.84 0.19 0.00 1.01 0.00 0.00 58.87 60.73 1und n SER 3 Cb 0.57 -1.03 0.72 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.51 0.00 0.09 1.43 4.39 -2.02 0.31 114.58 119.29 1und h GLU 4 Ca -0.40 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.18 1und h GLU 4 Cb 1.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1und h GLU 4 CO 0.49 0.00 -0.56 1.96 -1.16 0.00 0.00 179.01 179.74 1und h GLN 5 N 0.00 0.18 -0.77 2.33 7.50 -1.99 -2.67 115.11 119.68 1und h GLN 5 Ca 0.20 -0.31 0.04 0.00 0.50 0.00 0.00 58.65 59.07 1und h GLN 5 Cb 0.86 0.12 -0.04 0.00 0.05 0.00 0.00 27.48 28.46 1und h GLN 5 CO -0.00 1.15 0.51 -0.44 -1.50 0.00 0.00 178.83 178.55 1und h ASP 6 N -0.61 0.81 0.41 1.46 5.19 -1.60 -0.96 116.42 121.12 1und h ASP 6 Ca -0.10 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1und h ASP 6 Cb 1.41 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1und h ASP 6 CO 0.08 0.55 -0.47 0.15 -3.12 0.00 0.00 179.24 176.44 1und h PHE 7 N 0.94 -1.32 -0.99 4.55 3.04 -0.53 -1.35 116.94 121.28 1und h PHE 7 Ca 0.31 0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.46 1und h PHE 7 Cb 0.07 0.52 -0.10 0.00 2.56 0.00 0.00 35.95 39.00 1und h PHE 7 CO -0.00 -0.61 0.61 0.28 -2.02 0.00 0.00 178.31 176.57 1und h VAL 8 N -0.90 0.72 -0.70 1.41 2.07 -0.98 0.41 116.25 118.29 1und h VAL 8 Ca -0.05 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1und h VAL 8 Cb 0.79 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1und h VAL 8 CO -0.09 0.13 0.31 -1.28 0.02 0.00 0.00 177.57 176.66 1und h SER 9 N 0.71 0.93 0.67 0.57 0.87 -0.73 -1.43 113.55 115.14 1und h SER 9 Ca 0.55 -0.15 -0.27 0.00 -1.23 0.00 0.00 61.79 60.70 1und h SER 9 Cb 0.93 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1und h SER 9 CO -0.33 0.82 -1.39 0.58 -0.53 0.00 0.00 176.83 175.98 1und h VAL 10 N 0.98 1.27 0.03 2.23 2.07 0.02 -3.37 116.25 119.48 1und h VAL 10 Ca 0.24 -3.00 -0.28 0.00 0.82 0.00 0.00 66.70 64.47 1und h VAL 10 Cb 0.15 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1und h VAL 10 CO -0.03 0.78 -1.56 -0.26 0.02 0.00 0.00 177.57 176.51 1und h PHE 11 N 0.02 0.12 0.00 1.57 -1.00 -0.24 -3.48 116.94 113.92 1und h PHE 11 Ca -0.17 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1und h PHE 11 Cb 1.92 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.48 1und h PHE 11 CO 0.02 1.13 0.00 0.41 -1.61 0.00 0.00 178.31 178.26 1und n GLY 12 N 1.57 0.41 0.00 -1.45 0.00 -0.54 -5.02 105.19 100.16 1und n GLY 12 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.02 0.00 -4.31 -0.61 -6.64 -1.25 -5.10 119.36 98.44 1und n ILE 13 Ca 0.00 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.73 1und n ILE 13 Cb 0.04 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.15 1und n ILE 13 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1und s THR 14 N -1.36 3.21 0.31 7.28 -1.32 -1.26 -4.65 115.64 117.84 1und s THR 14 Ca 0.00 -1.83 0.04 0.00 -1.21 0.00 0.00 61.69 58.69 1und s THR 14 Cb 0.00 -2.65 0.30 0.00 -1.51 0.00 0.00 72.50 68.64 1und s THR 14 CO 0.00 -0.24 1.85 -0.09 -2.21 0.00 0.00 174.62 173.93 1und h ARG 15 N 2.47 0.85 0.33 7.08 2.43 -1.98 0.14 114.38 125.70 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 1.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1und h ARG 15 CO 0.57 0.56 -0.16 0.78 -1.51 0.00 0.00 179.97 180.21 1und h GLY 16 N 0.88 -0.46 1.27 2.80 0.00 -1.99 -1.91 103.07 103.66 1und h GLY 16 Ca 0.48 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 1und h GLY 16 CO -0.25 -0.17 0.27 -1.61 0.00 0.00 0.00 176.54 174.78 1und h GLN 17 N -0.77 0.93 -0.19 4.80 4.15 -1.91 -2.16 115.11 119.97 1und h GLN 17 Ca -0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1und h GLN 17 Cb 0.51 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1und h GLN 17 CO 0.07 0.75 0.09 0.35 -1.93 0.00 0.00 178.83 178.17 1und h PHE 18 N 0.92 0.27 0.00 3.99 3.57 -0.74 0.44 116.94 125.40 1und h PHE 18 Ca 0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1und h PHE 18 Cb 0.16 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1und h PHE 18 CO 0.01 0.29 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 1und h ALA 19 N 0.95 1.00 0.11 2.41 0.00 -1.03 -2.29 119.26 120.41 1und h ALA 19 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 1und h ALA 19 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1und h ALA 19 CO -0.01 0.00 -1.58 0.00 0.00 0.00 0.00 179.25 177.66 1und h ALA 20 N 2.02 0.33 -2.94 0.00 0.00 -0.73 -3.47 119.26 114.46 1und h ALA 20 Ca 0.00 -1.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.20 1und h ALA 20 Cb 0.23 0.33 0.16 0.00 0.00 0.00 0.00 17.79 18.51 1und h ALA 20 CO 0.00 1.19 0.47 -0.51 0.00 0.00 0.00 179.25 180.40 1und s LEU 21 N -6.90 3.46 0.44 0.00 1.43 0.08 -4.93 118.68 112.24 1und s LEU 21 Ca -0.10 2.54 -0.24 0.00 -1.03 0.00 0.00 54.13 55.31 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 0.84 -2.17 0.95 -2.65 0.23 0.00 0.00 176.35 173.56 1und n PRO 22 N -2.28 1.22 -0.10 1.29 -0.02 -1.26 -4.73 135.00 129.12 1und n PRO 22 Ca 0.15 0.44 0.20 0.00 -2.02 0.00 0.00 63.50 62.27 1und n PRO 22 Cb 0.49 -1.99 0.62 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 1.37 0.30 0.61 -1.23 0.00 -1.92 -0.09 103.07 102.10 1und h GLY 23 Ca -0.44 -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 -0.00 0.11 0.00 0.00 0.00 176.54 177.23 1und h TRP 24 N 0.17 0.01 -0.40 5.60 5.08 -1.99 -1.68 115.95 122.74 1und h TRP 24 Ca 0.33 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.28 1und h TRP 24 Cb 1.06 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.20 1und h TRP 24 CO -0.00 0.40 0.17 -0.22 -1.28 0.00 0.00 178.44 177.51 1und h LYS 25 N -0.39 0.55 0.78 0.12 1.63 -1.50 0.12 116.57 117.88 1und h LYS 25 Ca 0.00 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1und h LYS 25 Cb 0.40 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1und h LYS 25 CO 0.00 0.45 -0.37 1.96 -3.45 0.00 0.00 179.45 178.04 1und h GLN 26 N 0.56 -1.01 -0.50 1.90 4.20 -0.99 -1.52 115.11 117.75 1und h GLN 26 Ca 0.14 0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1und h GLN 26 Cb 0.09 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1und h GLN 26 CO -0.02 -0.67 0.08 1.37 -0.67 0.00 0.00 178.83 178.93 1und h LEU 27 N -1.05 0.73 0.05 1.46 8.10 -0.95 -2.15 115.31 121.50 1und h LEU 27 Ca -0.11 -0.14 0.02 0.00 0.11 0.00 0.00 57.88 57.76 1und h LEU 27 Cb 0.80 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 40.79 1und h LEU 27 CO 0.18 0.75 -0.24 -0.61 -4.11 0.00 0.00 178.44 174.41 1und h GLN 28 N 0.75 -0.39 -0.42 0.17 -0.00 -0.71 -1.10 115.11 113.41 1und h GLN 28 Ca 0.16 0.03 0.01 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 -0.26 0.26 0.52 0.00 0.00 0.00 178.83 179.36 1und h MET 29 N -0.40 0.51 -0.16 1.69 2.86 -0.90 0.12 114.93 118.65 1und h MET 29 Ca 0.05 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1und h MET 29 Cb 0.46 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1und h MET 29 CO -0.18 0.34 -0.23 0.87 1.06 0.00 0.00 176.91 178.77 1und h LYS 30 N 0.53 -0.26 -0.48 1.72 1.79 -1.15 -2.51 116.57 116.20 1und h LYS 30 Ca 0.16 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1und h LYS 30 Cb -0.02 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1und h LYS 30 CO -0.06 -0.18 -0.06 0.87 -1.08 0.00 0.00 179.45 178.94 1und h LYS 31 N -0.27 0.85 -0.64 3.15 1.79 -0.95 -3.22 116.57 117.28 1und h LYS 31 Ca 0.11 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1und h LYS 31 Cb 0.44 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1und h LYS 31 CO -0.32 0.89 0.40 0.93 -1.08 0.00 0.00 179.45 180.27 1und h GLU 32 N 0.77 0.85 -0.08 3.15 4.39 -0.38 0.24 114.58 123.52 1und h GLU 32 Ca 0.14 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1und h GLU 32 Cb 0.56 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1und h GLU 32 CO 0.03 0.59 0.06 0.87 -1.16 0.00 0.00 179.01 179.40 1und h LYS 33 N 0.86 0.00 0.00 2.33 6.56 -1.47 -3.30 116.57 121.55 1und h LYS 33 Ca 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1und h LYS 33 Cb -0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1und h LYS 33 CO -0.05 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.75 1und n GLY 34 N -1.53 0.45 1.09 3.86 0.00 -0.01 -4.99 105.19 104.06 1und n GLY 34 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.83 0.00 0.99 -0.00 0.65 -5.11 117.00 112.70 1und n LEU 35 Ca 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 56.01 54.29 1und n LEU 35 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1und n LEU 35 CO 0.00 1.32 0.00 0.33 -0.00 0.00 0.00 177.39 179.04