#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 -6.48 -4.77 2.98 4.32 -1.26 -4.94 117.00 106.85 1und n LEU 2 Ca 0.00 2.71 -0.39 0.00 -0.02 0.00 0.00 56.01 58.31 1und n LEU 2 Cb 0.00 -3.23 -0.01 0.00 -1.62 0.00 0.00 43.42 38.56 1und n LEU 2 CO 0.00 -3.10 0.93 -0.94 -1.22 0.00 0.00 177.39 173.06 1und s SER 3 N -0.60 6.47 0.58 -1.43 1.04 -1.26 -4.79 113.70 113.70 1und s SER 3 Ca -0.06 2.58 0.27 0.00 0.48 0.00 0.00 55.95 59.23 1und s SER 3 Cb 0.00 -2.63 1.60 0.00 0.10 0.00 0.00 66.02 65.09 1und s SER 3 CO 0.15 -0.73 2.10 -0.33 0.98 0.00 0.00 173.24 175.41 1und h GLU 4 N 2.84 0.00 0.04 4.02 3.07 -1.98 0.95 114.58 123.51 1und h GLU 4 Ca -0.49 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 1und h GLU 4 Cb 1.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1und h GLU 4 CO 0.63 0.00 -0.26 1.96 -1.40 0.00 0.00 179.01 179.94 1und h GLN 5 N 0.00 0.12 -0.94 2.33 7.50 -1.99 -1.95 115.11 120.18 1und h GLN 5 Ca 0.09 -0.17 0.01 0.00 0.50 0.00 0.00 58.65 59.08 1und h GLN 5 Cb 0.49 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.03 1und h GLN 5 CO -0.00 1.03 0.61 0.22 -1.50 0.00 0.00 178.83 179.19 1und h ASP 6 N -0.71 1.09 0.14 1.46 -0.00 -1.67 -0.84 116.42 115.89 1und h ASP 6 Ca -0.04 -0.04 0.01 0.00 -0.00 0.00 0.00 57.03 56.96 1und h ASP 6 Cb 1.15 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 40.17 1und h ASP 6 CO 0.05 0.80 -0.46 0.15 -0.00 0.00 0.00 179.24 179.78 1und h PHE 7 N 1.28 -1.32 -0.97 0.28 3.04 -0.95 -1.47 116.94 116.82 1und h PHE 7 Ca 0.34 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.48 1und h PHE 7 Cb -0.13 0.56 -0.09 0.00 2.56 0.00 0.00 35.95 38.85 1und h PHE 7 CO 0.00 -0.53 0.61 0.28 -2.02 0.00 0.00 178.31 176.66 1und h VAL 8 N -0.68 0.81 -0.86 1.41 2.07 -0.80 0.46 116.25 118.66 1und h VAL 8 Ca -0.01 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1und h VAL 8 Cb 0.67 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1und h VAL 8 CO -0.23 0.15 0.44 -1.28 0.02 0.00 0.00 177.57 176.66 1und h SER 9 N 0.80 1.10 0.52 0.57 0.87 -0.62 -1.87 113.55 114.92 1und h SER 9 Ca 0.51 -0.12 -0.29 0.00 -1.23 0.00 0.00 61.79 60.66 1und h SER 9 Cb 0.74 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 1und h SER 9 CO -0.28 0.91 -1.66 0.58 -0.53 0.00 0.00 176.83 175.85 1und h VAL 10 N 1.22 0.91 0.19 2.23 2.07 -0.13 -3.39 116.25 119.35 1und h VAL 10 Ca 0.30 -2.75 -0.35 0.00 0.82 0.00 0.00 66.70 64.73 1und h VAL 10 Cb 0.08 2.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1und h VAL 10 CO -0.04 0.54 -1.70 -0.26 0.02 0.00 0.00 177.57 176.13 1und h PHE 11 N 0.00 0.71 0.00 1.57 -1.00 -0.12 -3.49 116.94 114.62 1und h PHE 11 Ca -0.27 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 59.99 1und h PHE 11 Cb 2.00 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.53 1und h PHE 11 CO 0.00 1.63 0.00 0.41 -1.61 0.00 0.00 178.31 178.74 1und n GLY 12 N 1.82 0.48 0.00 -1.45 0.00 -0.71 -5.05 105.19 100.29 1und n GLY 12 Ca -0.23 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.18 0.00 -4.46 -0.61 -6.64 -1.26 -5.11 119.36 98.10 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 0.16 0.00 -0.10 0.00 -1.44 0.00 0.00 39.64 38.26 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 -0.87 2.46 0.29 7.28 -1.32 -1.26 -4.66 115.64 117.56 1und s THR 14 Ca 0.00 -2.36 0.04 0.00 -1.21 0.00 0.00 61.69 58.17 1und s THR 14 Cb 0.00 -2.27 0.28 0.00 -1.51 0.00 0.00 72.50 69.00 1und s THR 14 CO 0.00 -0.36 1.75 -0.09 -2.21 0.00 0.00 174.62 173.71 1und h ARG 15 N 2.40 0.61 0.29 7.08 2.43 -1.99 0.14 114.38 125.35 1und h ARG 15 Ca -0.41 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1und h ARG 15 Cb 1.25 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1und h ARG 15 CO 0.58 0.41 -0.14 0.78 -1.51 0.00 0.00 179.97 180.09 1und h GLY 16 N 0.63 -0.40 0.99 2.80 0.00 -1.99 -2.37 103.07 102.72 1und h GLY 16 Ca 0.56 0.15 0.01 0.00 0.00 0.00 0.00 47.33 48.04 1und h GLY 16 CO -0.42 -0.15 0.30 1.46 0.00 0.00 0.00 176.54 177.74 1und h GLN 17 N -0.65 0.60 -0.47 4.80 4.20 -1.88 -2.98 115.11 118.73 1und h GLN 17 Ca -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1und h GLN 17 Cb 0.46 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1und h GLN 17 CO 0.06 0.40 0.26 0.35 -0.67 0.00 0.00 178.83 179.23 1und h PHE 18 N 0.62 0.64 0.00 2.96 3.04 -0.74 0.30 116.94 123.75 1und h PHE 18 Ca 0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1und h PHE 18 Cb -0.06 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.25 1und h PHE 18 CO -0.05 0.47 0.00 0.00 -2.02 0.00 0.00 178.31 176.71 1und h ALA 19 N 1.11 1.00 0.05 2.41 0.00 -1.35 -2.59 119.26 119.89 1und h ALA 19 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 1und h ALA 19 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1und h ALA 19 CO -0.03 0.00 -1.86 0.00 0.00 0.00 0.00 179.25 177.36 1und n ALA 20 N -1.99 1.27 -1.49 0.00 0.00 -0.48 -4.97 120.51 112.85 1und n ALA 20 Ca -0.01 -0.73 -0.35 0.00 0.00 0.00 0.00 53.44 52.35 1und n ALA 20 Cb 0.18 -0.74 0.08 0.00 0.00 0.00 0.00 19.45 18.97 1und n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1und s LEU 21 N -6.42 3.42 0.44 0.00 1.43 -0.03 -4.94 118.68 112.59 1und s LEU 21 Ca -0.12 2.41 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 1und s LEU 21 Cb 0.07 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1und s LEU 21 CO 0.80 -2.11 0.97 -2.65 0.23 0.00 0.00 176.35 173.59 1und n PRO 22 N -2.39 1.24 -0.15 1.29 -0.02 -1.26 -4.73 135.00 128.97 1und n PRO 22 Ca 0.14 0.45 0.19 0.00 -2.02 0.00 0.00 63.50 62.26 1und n PRO 22 Cb 0.50 -2.02 0.58 0.00 -0.02 0.00 0.00 33.50 32.54 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 1.36 0.50 0.61 -1.23 0.00 -1.93 0.21 103.07 102.59 1und h GLY 23 Ca -0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1und h GLY 23 CO 0.56 0.02 -0.02 0.11 0.00 0.00 0.00 176.54 177.21 1und h TRP 24 N 0.27 0.09 -0.26 5.60 5.08 -1.99 -1.62 115.95 123.12 1und h TRP 24 Ca 0.38 -0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.30 1und h TRP 24 Cb 1.09 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.21 1und h TRP 24 CO -0.00 0.49 0.06 -0.22 -1.28 0.00 0.00 178.44 177.49 1und h LYS 25 N -0.33 0.36 0.72 0.12 1.63 -1.52 0.14 116.57 117.69 1und h LYS 25 Ca 0.01 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1und h LYS 25 Cb 0.47 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1und h LYS 25 CO 0.01 0.34 -0.35 1.96 -3.45 0.00 0.00 179.45 177.96 1und h GLN 26 N 0.36 -0.93 -0.44 1.90 4.20 -0.94 -1.65 115.11 117.60 1und h GLN 26 Ca 0.09 0.06 -0.05 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 -0.00 -0.60 0.07 1.37 -0.67 0.00 0.00 178.83 179.00 1und h LEU 27 N -1.09 0.64 0.26 1.46 8.10 -0.97 -2.00 115.31 121.71 1und h LEU 27 Ca -0.10 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1und h LEU 27 Cb 0.76 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.79 1und h LEU 27 CO 0.16 0.67 -0.30 -0.61 -4.11 0.00 0.00 178.44 174.25 1und h GLN 28 N 0.66 -0.58 -0.48 0.17 5.75 -0.74 -0.36 115.11 119.54 1und h GLN 28 Ca 0.14 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 1und h GLN 28 Cb 0.31 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 1und h GLN 28 CO 0.00 -0.39 0.20 0.52 -2.65 0.00 0.00 178.83 176.51 1und h MET 29 N -0.60 0.38 -0.16 1.69 2.86 -1.01 -0.38 114.93 117.70 1und h MET 29 Ca -0.00 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1und h MET 29 Cb 0.56 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1und h MET 29 CO -0.08 0.25 -0.04 0.87 1.06 0.00 0.00 176.91 178.97 1und h LYS 30 N 0.39 -0.00 -0.03 1.72 1.57 -1.07 -0.82 116.57 118.32 1und h LYS 30 Ca 0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1und h LYS 30 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1und h LYS 30 CO -0.20 -0.00 -0.55 1.57 -0.57 0.00 0.00 179.45 179.69 1und h LYS 31 N -0.00 0.09 0.27 3.15 2.10 -0.80 -0.57 116.57 120.80 1und h LYS 31 Ca 0.08 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1und h LYS 31 Cb 0.12 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1und h LYS 31 CO -0.17 0.62 -0.13 0.93 -2.00 0.00 0.00 179.45 178.70 1und h GLU 32 N 0.07 -0.34 -0.20 0.07 5.08 -0.80 0.95 114.58 119.40 1und h GLU 32 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1und h GLU 32 Cb 1.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1und h GLU 32 CO 0.08 -0.06 0.14 0.87 -1.00 0.00 0.00 179.01 179.04 1und h LYS 33 N -1.00 0.16 0.00 2.33 6.56 -1.25 -2.69 116.57 120.68 1und h LYS 33 Ca -0.04 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1und h LYS 33 Cb 0.44 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1und h LYS 33 CO 0.06 0.10 0.00 0.41 -2.06 0.00 0.00 179.45 177.96 1und n GLY 34 N -1.54 -2.27 2.71 3.86 0.00 -0.22 -4.86 105.19 102.88 1und n GLY 34 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.08 -0.58 0.00 0.99 -0.00 0.21 -5.07 117.00 112.48 1und n LEU 35 Ca 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 56.01 52.74 1und n LEU 35 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1und n LEU 35 CO 0.00 1.58 0.00 0.33 -0.00 0.00 0.00 177.39 179.30