#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 -6.84 -4.76 -3.48 4.32 -1.26 -4.96 117.00 100.02 1und n LEU 2 Ca 0.00 0.80 -0.38 0.00 -0.02 0.00 0.00 56.01 56.42 1und n LEU 2 Cb 0.00 -2.96 0.02 0.00 -1.62 0.00 0.00 43.42 38.86 1und n LEU 2 CO 0.00 -2.33 0.91 -0.94 -1.22 0.00 0.00 177.39 173.81 1und s SER 3 N -1.90 5.63 0.55 -1.43 1.04 -1.26 -4.75 113.70 111.58 1und s SER 3 Ca 0.14 2.54 0.26 0.00 0.48 0.00 0.00 55.95 59.37 1und s SER 3 Cb -0.03 -2.62 1.46 0.00 0.10 0.00 0.00 66.02 64.93 1und s SER 3 CO 0.70 -1.31 2.02 -0.33 0.98 0.00 0.00 173.24 175.30 1und h GLU 4 N 1.65 0.00 0.04 4.02 4.39 -1.98 0.14 114.58 122.84 1und h GLU 4 Ca -0.50 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 1und h GLU 4 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1und h GLU 4 CO 0.58 0.00 -0.37 1.96 -1.16 0.00 0.00 179.01 180.02 1und h GLN 5 N 0.00 0.09 -0.84 2.33 7.50 -1.99 -2.66 115.11 119.54 1und h GLN 5 Ca 0.19 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1und h GLN 5 Cb 0.82 0.06 -0.04 0.00 0.05 0.00 0.00 27.48 28.37 1und h GLN 5 CO -0.00 1.08 0.54 0.22 -1.50 0.00 0.00 178.83 179.17 1und h ASP 6 N -0.79 0.97 -0.05 1.46 1.82 -1.75 -1.08 116.42 117.00 1und h ASP 6 Ca -0.08 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.56 1und h ASP 6 Cb 1.23 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.94 1und h ASP 6 CO 0.03 0.72 -0.53 0.15 -1.61 0.00 0.00 179.24 178.00 1und h PHE 7 N 1.14 -1.57 -0.91 0.28 3.04 -0.87 -0.10 116.94 117.96 1und h PHE 7 Ca 0.31 0.05 0.14 0.00 3.98 0.00 0.00 57.97 62.45 1und h PHE 7 Cb -0.11 0.69 -0.07 0.00 2.56 0.00 0.00 35.95 39.02 1und h PHE 7 CO 0.00 -0.56 0.58 0.28 -2.02 0.00 0.00 178.31 176.59 1und h VAL 8 N -0.64 0.86 -0.64 1.41 2.07 -0.97 0.42 116.25 118.75 1und h VAL 8 Ca 0.02 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1und h VAL 8 Cb 0.71 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1und h VAL 8 CO -0.38 0.14 0.20 -1.28 0.02 0.00 0.00 177.57 176.26 1und h SER 9 N 0.76 0.94 0.73 0.57 0.87 -0.20 -1.49 113.55 115.73 1und h SER 9 Ca 0.46 -0.21 -0.26 0.00 -1.23 0.00 0.00 61.79 60.55 1und h SER 9 Cb 0.66 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1und h SER 9 CO -0.22 0.90 -1.31 0.58 -0.53 0.00 0.00 176.83 176.25 1und h VAL 10 N 0.93 1.36 0.18 2.23 2.07 0.04 -3.37 116.25 119.69 1und h VAL 10 Ca 0.21 -3.08 -0.34 0.00 0.82 0.00 0.00 66.70 64.30 1und h VAL 10 Cb 0.30 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1und h VAL 10 CO -0.01 0.81 -1.68 -0.26 0.02 0.00 0.00 177.57 176.46 1und h PHE 11 N 0.02 0.67 0.00 1.57 -1.00 -0.19 -3.49 116.94 114.53 1und h PHE 11 Ca -0.14 -0.49 0.00 0.00 2.81 0.00 0.00 57.97 60.15 1und h PHE 11 Cb 1.90 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.43 1und h PHE 11 CO 0.02 1.59 0.00 0.41 -1.61 0.00 0.00 178.31 178.72 1und n GLY 12 N 1.80 0.48 0.00 -1.45 0.00 -0.57 -5.05 105.19 100.41 1und n GLY 12 Ca -0.22 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.22 0.00 -4.28 -0.61 -6.64 -1.25 -5.10 119.36 98.25 1und n ILE 13 Ca 0.00 0.00 -0.24 0.00 -1.77 0.00 0.00 62.75 60.74 1und n ILE 13 Cb 0.18 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.30 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 -1.66 3.43 0.31 7.28 -1.32 -1.26 -4.62 115.64 117.79 1und s THR 14 Ca 0.00 -1.80 0.07 0.00 -1.21 0.00 0.00 61.69 58.74 1und s THR 14 Cb 0.00 -2.79 0.31 0.00 -1.51 0.00 0.00 72.50 68.51 1und s THR 14 CO 0.00 -0.29 1.79 -0.09 -2.21 0.00 0.00 174.62 173.82 1und h ARG 15 N 2.20 0.73 0.33 7.08 2.43 -1.99 0.96 114.38 126.12 1und h ARG 15 Ca -0.45 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1und h ARG 15 Cb 1.23 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1und h ARG 15 CO 0.59 0.48 -0.16 0.78 -1.51 0.00 0.00 179.97 180.15 1und h GLY 16 N 0.75 -0.46 0.81 2.80 0.00 -1.99 -2.06 103.07 102.92 1und h GLY 16 Ca 0.56 0.17 0.03 0.00 0.00 0.00 0.00 47.33 48.10 1und h GLY 16 CO -0.35 -0.17 0.29 1.46 0.00 0.00 0.00 176.54 177.77 1und h GLN 17 N -0.71 0.56 -0.35 4.80 4.20 -1.87 -2.74 115.11 119.00 1und h GLN 17 Ca -0.05 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1und h GLN 17 Cb 0.49 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1und h GLN 17 CO 0.07 0.37 0.21 0.35 -0.67 0.00 0.00 178.83 179.16 1und h PHE 18 N 0.58 0.39 0.00 2.96 3.04 -0.81 0.71 116.94 123.81 1und h PHE 18 Ca 0.22 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1und h PHE 18 Cb 0.07 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.46 1und h PHE 18 CO -0.08 0.23 0.00 0.00 -2.02 0.00 0.00 178.31 176.44 1und h ALA 19 N 1.15 1.00 0.05 2.41 0.00 -1.20 -2.46 119.26 120.21 1und h ALA 19 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 1und h ALA 19 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1und h ALA 19 CO -0.06 0.00 -1.77 0.00 0.00 0.00 0.00 179.25 177.42 1und h ALA 20 N 2.04 0.60 -2.87 0.00 0.00 -0.93 -3.48 119.26 114.62 1und h ALA 20 Ca 0.00 -1.40 -0.54 0.00 0.00 0.00 0.00 54.91 52.97 1und h ALA 20 Cb 0.26 0.53 0.14 0.00 0.00 0.00 0.00 17.79 18.72 1und h ALA 20 CO 0.00 1.45 0.46 -0.51 0.00 0.00 0.00 179.25 180.65 1und s LEU 21 N -6.51 3.54 0.44 0.00 1.43 0.12 -4.95 118.68 112.75 1und s LEU 21 Ca -0.11 2.45 -0.24 0.00 -1.03 0.00 0.00 54.13 55.20 1und s LEU 21 Cb 0.07 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1und s LEU 21 CO 0.81 -1.90 0.97 -2.65 0.23 0.00 0.00 176.35 173.81 1und n PRO 22 N -2.00 1.26 -0.12 1.29 -0.02 -1.26 -4.74 135.00 129.40 1und n PRO 22 Ca 0.14 0.45 0.20 0.00 -2.02 0.00 0.00 63.50 62.28 1und n PRO 22 Cb 0.49 -2.02 0.62 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.39 0.33 0.59 -1.23 0.00 -1.92 -0.17 103.07 102.04 1und h GLY 23 Ca -0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1und h GLY 23 CO 0.56 0.02 -0.01 0.11 0.00 0.00 0.00 176.54 177.21 1und h TRP 24 N 0.18 -0.03 -0.28 5.60 5.08 -1.99 -1.73 115.95 122.78 1und h TRP 24 Ca 0.35 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.30 1und h TRP 24 Cb 1.14 0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 1und h TRP 24 CO -0.00 0.38 0.08 -0.22 -1.28 0.00 0.00 178.44 177.40 1und h LYS 25 N -0.45 0.39 0.73 0.12 1.63 -1.52 0.12 116.57 117.59 1und h LYS 25 Ca -0.00 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1und h LYS 25 Cb 0.42 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1und h LYS 25 CO 0.01 0.36 -0.35 1.96 -3.45 0.00 0.00 179.45 177.98 1und h GLN 26 N 0.39 -0.94 -0.55 1.90 4.20 -1.03 -1.55 115.11 117.54 1und h GLN 26 Ca 0.10 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1und h GLN 26 Cb 0.14 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1und h GLN 26 CO -0.01 -0.61 0.08 1.37 -0.67 0.00 0.00 178.83 178.99 1und h LEU 27 N -1.03 0.84 0.02 1.46 8.10 -0.93 -1.64 115.31 122.13 1und h LEU 27 Ca -0.10 -0.18 0.03 0.00 0.11 0.00 0.00 57.88 57.74 1und h LEU 27 Cb 0.76 -0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 40.72 1und h LEU 27 CO 0.16 0.85 -0.25 -0.61 -4.11 0.00 0.00 178.44 174.49 1und h GLN 28 N 0.84 -0.38 -0.86 0.17 -0.00 -0.76 -0.85 115.11 113.27 1und h GLN 28 Ca 0.17 0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 1und h GLN 28 Cb 0.38 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.91 1und h GLN 28 CO 0.01 -0.25 0.42 0.52 0.00 0.00 0.00 178.83 179.52 1und h MET 29 N -0.40 1.23 0.02 1.69 2.86 -0.95 0.05 114.93 119.43 1und h MET 29 Ca 0.06 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1und h MET 29 Cb 0.47 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1und h MET 29 CO -0.21 0.94 -0.15 0.87 1.06 0.00 0.00 176.91 179.43 1und h LYS 30 N 1.22 -0.25 -0.32 1.72 1.57 -0.89 -0.58 116.57 119.04 1und h LYS 30 Ca 0.30 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1und h LYS 30 Cb 0.11 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1und h LYS 30 CO -0.04 -0.16 0.15 0.87 -0.57 0.00 0.00 179.45 179.70 1und h LYS 31 N -0.25 0.31 0.19 3.15 1.57 -0.96 -1.42 116.57 119.16 1und h LYS 31 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1und h LYS 31 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1und h LYS 31 CO -0.13 0.20 -0.09 0.93 -0.57 0.00 0.00 179.45 179.79 1und h GLU 32 N 0.32 -0.25 -0.21 3.15 4.39 -0.62 0.21 114.58 121.57 1und h GLU 32 Ca 0.14 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1und h GLU 32 Cb 0.07 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1und h GLU 32 CO -0.11 0.06 0.10 0.87 -1.16 0.00 0.00 179.01 178.77 1und h LYS 33 N -0.56 0.29 0.00 2.33 6.56 -1.20 -3.18 116.57 120.80 1und h LYS 33 Ca -0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1und h LYS 33 Cb 0.42 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1und h LYS 33 CO 0.04 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.07 1und n GLY 34 N -1.39 -2.37 2.68 3.86 0.00 -0.53 -4.89 105.19 102.55 1und n GLY 34 Ca 0.00 0.01 -0.03 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 -0.04 -1.54 0.00 0.99 -0.00 0.63 -5.08 117.00 111.95 1und n LEU 35 Ca 0.00 -3.28 0.00 0.00 -0.00 0.00 0.00 56.01 52.73 1und n LEU 35 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1und n LEU 35 CO 0.00 1.76 0.00 0.33 -0.00 0.00 0.00 177.39 179.48