#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhb n GLN 3 N 0.00 3.72 -2.42 0.00 6.02 -1.26 -4.84 117.38 118.60 1bhb n GLN 3 Ca 0.00 -4.30 -0.36 0.00 -0.01 0.00 0.00 57.00 52.33 1bhb n GLN 3 Cb 0.00 -2.66 0.01 0.00 1.02 0.00 0.00 30.24 28.61 1bhb n GLN 3 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1bhb n ILE 4 N 2.79 4.19 -4.04 5.09 -0.00 -1.26 -4.86 119.36 121.27 1bhb n ILE 4 Ca 0.28 -5.19 -0.29 0.00 -0.00 0.00 0.00 62.75 57.54 1bhb n ILE 4 Cb 0.38 -1.38 -0.06 0.00 -0.00 0.00 0.00 39.64 38.58 1bhb n ILE 4 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1bhb n THR 5 N -0.32 -1.14 0.00 7.28 5.66 -1.26 -4.38 114.28 120.12 1bhb n THR 5 Ca 0.45 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1bhb n THR 5 Cb 0.33 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1bhb n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bhb n GLY 6 N -2.26 0.20 0.13 1.09 0.00 -1.26 -4.61 105.19 98.47 1bhb n GLY 6 Ca -0.24 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1bhb n GLY 6 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bhb h ARG 7 N 0.00 0.36 -2.05 1.61 1.12 -1.89 -3.07 114.38 110.46 1bhb h ARG 7 Ca 0.00 -0.08 -0.66 0.00 -1.11 0.00 0.00 59.98 58.13 1bhb h ARG 7 Cb 0.00 -0.05 -0.22 0.00 -0.01 0.00 0.00 29.97 29.68 1bhb h ARG 7 CO 0.00 0.44 0.86 -0.35 -3.11 0.00 0.00 179.97 177.81 1bhb n PRO 8 N -4.77 2.88 0.16 0.20 -0.04 -1.26 -4.57 135.00 127.61 1bhb n PRO 8 Ca -0.03 -3.11 0.02 0.00 -0.04 0.00 0.00 63.50 60.34 1bhb n PRO 8 Cb 0.15 -2.25 0.27 0.00 -0.04 0.00 0.00 33.50 31.63 1bhb n PRO 8 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bhb h GLU 9 N 3.16 0.00 -0.28 0.54 4.11 -1.79 -1.64 114.58 118.69 1bhb h GLU 9 Ca 0.50 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.81 1bhb h GLU 9 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1bhb h GLU 9 CO 1.19 0.48 -0.34 2.35 0.07 0.00 0.00 179.01 182.77 1bhb h TRP 10 N 0.00 0.70 -0.27 2.06 2.91 -1.80 -0.07 115.95 119.49 1bhb h TRP 10 Ca -0.00 -0.18 -0.19 0.00 1.13 0.00 0.00 58.89 59.65 1bhb h TRP 10 Cb 0.94 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1bhb h TRP 10 CO 0.00 0.86 -0.57 0.82 -1.03 0.00 0.00 178.44 178.52 1bhb h ILE 11 N 0.51 1.28 -0.31 2.65 1.08 -1.72 -1.06 117.51 119.94 1bhb h ILE 11 Ca 0.06 -1.76 -0.05 0.00 -0.39 0.00 0.00 64.86 62.71 1bhb h ILE 11 Cb 0.83 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 1bhb h ILE 11 CO 0.07 0.57 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.82 1bhb h TRP 12 N 0.63 0.50 -0.28 1.37 2.91 -1.02 0.12 115.95 120.18 1bhb h TRP 12 Ca 0.01 -0.05 -0.09 0.00 1.13 0.00 0.00 58.89 59.88 1bhb h TRP 12 Cb 1.17 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1bhb h TRP 12 CO 0.07 0.52 -0.19 1.25 -1.03 0.00 0.00 178.44 179.06 1bhb h LEU 13 N 0.46 0.66 -0.61 0.65 6.46 -0.74 0.77 115.31 122.96 1bhb h LEU 13 Ca 0.10 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1bhb h LEU 13 Cb 0.35 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1bhb h LEU 13 CO 0.01 0.95 0.38 0.00 -0.62 0.00 0.00 178.44 179.17 1bhb h ALA 14 N 0.73 0.77 -0.35 1.25 0.00 -0.57 0.16 119.26 121.25 1bhb h ALA 14 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1bhb h ALA 14 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1bhb h ALA 14 CO 0.05 0.23 -0.15 -0.07 0.00 0.00 0.00 179.25 179.32 1bhb h LEU 15 N 0.83 0.61 -0.56 0.00 4.07 -0.87 -0.77 115.31 118.62 1bhb h LEU 15 Ca 0.22 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1bhb h LEU 15 Cb -0.06 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1bhb h LEU 15 CO -0.04 0.78 0.07 1.23 -1.08 0.00 0.00 178.44 179.39 1bhb h GLY 16 N 0.97 1.02 1.34 0.83 0.00 0.16 0.35 103.07 107.74 1bhb h GLY 16 Ca 0.10 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1bhb h GLY 16 CO 0.04 0.65 -0.33 -0.84 0.00 0.00 0.00 176.54 176.05 1bhb h THR 17 N 0.83 1.28 -0.35 4.70 2.02 -0.43 -0.64 112.91 120.33 1bhb h THR 17 Ca 0.17 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 1bhb h THR 17 Cb 0.45 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1bhb h THR 17 CO 0.02 0.48 0.00 0.00 0.37 0.00 0.00 175.52 176.39 1bhb h ALA 18 N 1.01 0.47 -0.44 6.16 0.00 -0.92 0.36 119.26 125.90 1bhb h ALA 18 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bhb h ALA 18 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1bhb h ALA 18 CO 0.08 0.23 0.22 1.25 0.00 0.00 0.00 179.25 181.03 1bhb h LEU 19 N 0.42 0.56 -0.84 0.00 6.46 -0.80 -0.82 115.31 120.28 1bhb h LEU 19 Ca 0.10 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1bhb h LEU 19 Cb 0.45 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1bhb h LEU 19 CO 0.02 0.51 0.49 -0.03 -0.62 0.00 0.00 178.44 178.80 1bhb h MET 20 N 0.56 1.15 -0.36 1.25 4.05 -0.93 -0.11 114.93 120.54 1bhb h MET 20 Ca 0.15 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1bhb h MET 20 Cb 0.09 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1bhb h MET 20 CO -0.02 0.83 0.17 0.78 0.23 0.00 0.00 176.91 178.89 1bhb h GLY 21 N 1.16 0.56 1.37 1.39 0.00 -0.49 0.05 103.07 107.11 1bhb h GLY 21 Ca 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1bhb h GLY 21 CO -0.05 0.27 0.14 1.41 0.00 0.00 0.00 176.54 178.31 1bhb h LEU 22 N 0.45 0.74 -0.72 3.11 3.38 -0.82 -0.77 115.31 120.67 1bhb h LEU 22 Ca 0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1bhb h LEU 22 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1bhb h LEU 22 CO -0.01 0.72 -0.02 1.23 0.09 0.00 0.00 178.44 180.44 1bhb h GLY 23 N 0.95 1.03 1.12 0.83 0.00 -0.52 0.11 103.07 106.59 1bhb h GLY 23 Ca 0.17 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 1bhb h GLY 23 CO -0.00 0.69 -0.24 -0.84 0.00 0.00 0.00 176.54 176.14 1bhb h THR 24 N 0.88 1.27 -0.37 4.70 2.02 -0.42 -0.67 112.91 120.31 1bhb h THR 24 Ca 0.16 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 1bhb h THR 24 Cb 0.55 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1bhb h THR 24 CO 0.03 0.49 0.01 -0.07 0.37 0.00 0.00 175.52 176.35 1bhb h LEU 25 N 0.85 0.63 -0.72 2.58 3.38 -0.94 0.90 115.31 121.99 1bhb h LEU 25 Ca 0.10 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1bhb h LEU 25 Cb 0.83 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1bhb h LEU 25 CO 0.07 0.77 0.37 0.22 0.09 0.00 0.00 178.44 179.96 1bhb h TYR 26 N 0.47 1.02 -0.05 1.13 3.20 -0.86 -0.02 116.97 121.86 1bhb h TYR 26 Ca 0.11 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1bhb h TYR 26 Cb 0.44 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1bhb h TYR 26 CO 0.03 0.73 -0.51 0.35 -1.64 0.00 0.00 178.16 177.13 1bhb h PHE 27 N 1.00 0.16 -0.29 -3.82 3.57 -0.94 -2.13 116.94 114.49 1bhb h PHE 27 Ca 0.25 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1bhb h PHE 27 Cb 0.08 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1bhb h PHE 27 CO 0.00 0.61 -0.29 1.25 -2.23 0.00 0.00 178.31 177.66 1bhb h LEU 28 N 0.10 0.76 -0.77 0.59 5.85 -0.25 0.12 115.31 121.73 1bhb h LEU 28 Ca 0.00 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1bhb h LEU 28 Cb 0.93 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1bhb h LEU 28 CO 0.07 1.07 0.39 0.58 -0.34 0.00 0.00 178.44 180.22 1bhb h VAL 29 N 0.46 1.24 -0.38 1.05 2.07 -0.87 0.80 116.25 120.62 1bhb h VAL 29 Ca 0.05 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1bhb h VAL 29 Cb 0.86 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1bhb h VAL 29 CO 0.07 0.27 -0.29 0.11 0.02 0.00 0.00 177.57 177.75 1bhb h LYS 30 N 1.07 0.81 -0.79 1.57 1.57 -1.25 0.12 116.57 119.67 1bhb h LYS 30 Ca 0.27 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1bhb h LYS 30 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1bhb h LYS 30 CO -0.04 1.00 0.33 0.78 -0.57 0.00 0.00 179.45 180.95 1bhb h GLY 31 N 0.93 1.27 1.83 3.86 0.00 -0.04 -0.71 103.07 110.20 1bhb h GLY 31 Ca 0.08 -0.68 -0.20 0.00 0.00 0.00 0.00 47.33 46.53 1bhb h GLY 31 CO 0.07 0.64 -0.91 -0.33 0.00 0.00 0.00 176.54 176.01 1bhb h MET 32 N 1.15 0.15 0.11 4.80 2.86 -0.68 -3.30 114.93 120.02 1bhb h MET 32 Ca 0.27 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1bhb h MET 32 Cb 0.20 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1bhb h MET 32 CO -0.02 0.96 -0.05 0.78 1.06 0.00 0.00 176.91 179.63 1bhb h GLY 33 N 2.06 -0.16 0.00 8.32 0.00 -0.41 -3.51 103.07 109.37 1bhb h GLY 33 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1bhb h GLY 33 CO 0.13 -0.06 0.00 1.55 0.00 0.00 0.00 176.54 178.17 1bhb n VAL 34 N -5.04 0.00 0.15 4.60 3.14 -0.30 -5.09 118.33 115.79 1bhb n VAL 34 Ca -0.08 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.32 1bhb n VAL 34 Cb 0.18 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 33.11 1bhb n VAL 34 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1bhb h PRO 37 N 0.00 0.00 0.00 1.45 0.13 -2.05 -3.46 132.00 128.07 1bhb h PRO 37 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1bhb h PRO 37 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1bhb h PRO 37 CO 0.00 0.50 -1.70 -0.40 -0.23 0.00 0.00 178.00 176.16 1bhb n ASP 38 N -3.38 0.35 0.10 1.44 5.75 -1.26 -3.83 116.55 115.72 1bhb n ASP 38 Ca 0.01 -0.27 -0.04 0.00 -0.01 0.00 0.00 54.79 54.48 1bhb n ASP 38 Cb 0.66 1.71 0.00 0.00 -1.03 0.00 0.00 41.12 42.46 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bhb h ALA 39 N 2.22 0.59 0.00 2.12 0.00 -2.07 -0.45 119.26 121.68 1bhb h ALA 39 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1bhb h ALA 39 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bhb h ALA 39 CO 0.00 1.00 -0.47 1.57 0.00 0.00 0.00 179.25 181.35 1bhb h LYS 40 N 0.00 0.00 0.00 0.00 2.10 -2.04 -3.17 116.57 113.46 1bhb h LYS 40 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 1bhb h LYS 40 Cb 1.49 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.81 1bhb h LYS 40 CO 0.10 0.33 -1.04 0.87 -2.00 0.00 0.00 179.45 177.71 1bhb h LYS 41 N 0.00 0.00 -0.61 0.07 1.57 -1.63 -3.32 116.57 112.64 1bhb h LYS 41 Ca -0.02 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1bhb h LYS 41 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1bhb h LYS 41 CO 0.04 0.22 0.41 0.35 -0.57 0.00 0.00 179.45 179.90 1bhb h PHE 42 N 0.00 0.58 -0.25 -1.35 3.57 -1.05 0.17 116.94 118.62 1bhb h PHE 42 Ca -0.08 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 1bhb h PHE 42 Cb 1.35 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1bhb h PHE 42 CO 0.00 0.30 -0.61 1.88 -2.23 0.00 0.00 178.31 177.65 1bhb h TYR 43 N 0.57 1.09 -0.20 0.41 0.05 -1.68 -1.63 116.97 115.58 1bhb h TYR 43 Ca 0.27 -0.42 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 1bhb h TYR 43 Cb 0.32 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1bhb h TYR 43 CO -0.00 1.25 -0.31 0.00 -1.05 0.00 0.00 178.16 178.05 1bhb h ALA 44 N 0.64 1.10 -0.22 3.88 0.00 -1.41 -0.55 119.26 122.70 1bhb h ALA 44 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1bhb h ALA 44 Cb 1.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bhb h ALA 44 CO 0.13 0.56 -0.06 0.82 0.00 0.00 0.00 179.25 180.71 1bhb h ILE 45 N 0.35 1.29 0.00 0.00 2.04 -0.61 0.57 117.51 121.15 1bhb h ILE 45 Ca 0.05 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1bhb h ILE 45 Cb 0.72 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1bhb h ILE 45 CO 0.06 0.32 0.00 0.71 0.00 0.00 0.00 178.15 179.24 1bhb h THR 46 N 0.16 0.00 0.00 -0.27 1.35 -1.07 0.87 112.91 113.95 1bhb h THR 46 Ca 0.06 -0.29 -0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1bhb h THR 46 Cb 0.51 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1bhb h THR 46 CO 0.02 0.00 -1.27 0.41 -0.25 0.00 0.00 175.52 174.44 1bhb n THR 47 N -2.42 0.62 0.89 6.82 -1.04 -0.23 -3.81 114.28 115.11 1bhb n THR 47 Ca 0.02 -0.57 0.10 0.00 -2.04 0.00 0.00 64.05 61.56 1bhb n THR 47 Cb 0.25 -0.35 0.04 0.00 -1.82 0.00 0.00 70.33 68.45 1bhb n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bhb n LEU 48 N -2.64 2.30 0.00 -4.42 7.99 0.15 -4.21 117.00 116.17 1bhb n LEU 48 Ca -0.03 -0.87 -0.12 0.00 -0.01 0.00 0.00 56.01 54.97 1bhb n LEU 48 Cb 0.61 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.84 1bhb n LEU 48 CO 0.42 0.41 0.76 0.58 -1.51 0.00 0.00 177.39 178.04 1bhb h VAL 49 N 3.14 1.20 0.00 4.08 2.07 -0.95 -0.00 116.25 125.79 1bhb h VAL 49 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1bhb h VAL 49 Cb 0.78 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1bhb h VAL 49 CO 0.00 0.16 0.00 1.55 0.02 0.00 0.00 177.57 179.30 1bhb h PRO 50 N -0.20 0.00 -0.08 1.57 0.13 -1.77 -1.65 132.00 130.01 1bhb h PRO 50 Ca 0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 1bhb h PRO 50 Cb 0.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.39 1bhb h PRO 50 CO 0.00 0.00 -0.56 0.00 -0.23 0.00 0.00 178.00 177.21 1bhb h ALA 51 N 2.00 0.18 -0.17 -0.56 0.00 -1.66 -0.77 119.26 118.28 1bhb h ALA 51 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1bhb h ALA 51 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bhb h ALA 51 CO 0.00 0.40 -0.65 0.82 0.00 0.00 0.00 179.25 179.82 1bhb h ILE 52 N 0.11 1.32 -0.53 0.00 1.08 -0.93 -1.16 117.51 117.39 1bhb h ILE 52 Ca -0.05 -1.92 -0.04 0.00 -0.39 0.00 0.00 64.86 62.47 1bhb h ILE 52 Cb 1.21 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.83 1bhb h ILE 52 CO 0.11 0.60 0.19 0.00 -0.69 0.00 0.00 178.15 178.37 1bhb h ALA 53 N 0.81 0.70 -0.50 1.87 0.00 -1.32 -0.27 119.26 120.56 1bhb h ALA 53 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1bhb h ALA 53 Cb 1.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1bhb h ALA 53 CO 0.13 0.33 -0.12 0.35 0.00 0.00 0.00 179.25 179.94 1bhb h PHE 54 N 0.73 1.03 -0.48 0.00 3.57 -1.06 -0.88 116.94 119.85 1bhb h PHE 54 Ca 0.18 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1bhb h PHE 54 Cb 0.23 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1bhb h PHE 54 CO 0.01 0.98 0.17 1.15 -2.23 0.00 0.00 178.31 178.40 1bhb h THR 55 N 0.83 1.22 -0.37 4.41 2.02 -0.87 0.12 112.91 120.26 1bhb h THR 55 Ca 0.13 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1bhb h THR 55 Cb 0.65 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1bhb h THR 55 CO 0.05 0.26 0.03 0.24 0.37 0.00 0.00 175.52 176.46 1bhb h MET 56 N 0.64 0.63 -0.50 6.66 2.86 -0.90 -0.71 114.93 123.61 1bhb h MET 56 Ca 0.16 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1bhb h MET 56 Cb 0.23 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1bhb h MET 56 CO -0.01 0.72 0.06 -0.92 1.06 0.00 0.00 176.91 177.82 1bhb h TYR 57 N 0.46 0.83 -0.43 -0.22 3.20 -0.99 -0.67 116.97 119.16 1bhb h TYR 57 Ca 0.11 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1bhb h TYR 57 Cb 0.42 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1bhb h TYR 57 CO 0.03 0.74 -0.11 1.25 -1.64 0.00 0.00 178.16 178.43 1bhb h LEU 58 N 0.76 0.85 -0.79 2.82 6.46 -0.56 -0.22 115.31 124.63 1bhb h LEU 58 Ca 0.16 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1bhb h LEU 58 Cb 0.37 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1bhb h LEU 58 CO 0.01 1.02 0.34 -1.28 -0.62 0.00 0.00 178.44 177.91 1bhb h SER 59 N 0.67 1.06 -0.26 1.25 0.87 -0.74 0.07 113.55 116.46 1bhb h SER 59 Ca 0.11 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1bhb h SER 59 Cb 0.65 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1bhb h SER 59 CO 0.04 0.93 0.00 0.24 -0.53 0.00 0.00 176.83 177.51 1bhb h MET 60 N 1.13 0.46 -0.72 2.24 2.86 -0.91 -0.32 114.93 119.67 1bhb h MET 60 Ca 0.27 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1bhb h MET 60 Cb 0.17 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1bhb h MET 60 CO -0.03 0.63 0.47 1.25 1.06 0.00 0.00 176.91 180.29 1bhb h LEU 61 N 0.25 0.84 -0.80 1.22 7.12 -0.79 -0.66 115.31 122.48 1bhb h LEU 61 Ca 0.07 -0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 1bhb h LEU 61 Cb 0.42 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 1bhb h LEU 61 CO 0.01 0.62 0.34 0.25 -0.13 0.00 0.00 178.44 179.54 1bhb h LEU 62 N 0.98 1.09 -0.34 2.25 5.85 -0.82 -2.72 115.31 121.59 1bhb h LEU 62 Ca 0.26 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1bhb h LEU 62 Cb -0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1bhb h LEU 62 CO -0.06 0.95 0.22 1.23 -0.34 0.00 0.00 178.44 180.44 1bhb h GLY 63 N 1.16 0.48 -1.27 3.75 0.00 -0.13 -3.43 103.07 103.62 1bhb h GLY 63 Ca 0.27 -0.17 -0.51 0.00 0.00 0.00 0.00 47.33 46.92 1bhb h GLY 63 CO -0.03 0.16 0.38 -0.19 0.00 0.00 0.00 176.54 176.87 1bhb s TYR 64 N -6.17 3.22 0.00 5.60 2.02 -0.34 -4.84 117.35 116.84 1bhb s TYR 64 Ca -0.13 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 1bhb s TYR 64 Cb 0.10 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.77 1bhb s TYR 64 CO 0.71 -1.18 0.22 0.41 -1.57 0.00 0.00 175.55 174.15 1bhb n GLY 65 N -2.28 -0.24 0.02 0.71 0.00 -0.05 -4.78 105.19 98.57 1bhb n GLY 65 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1bhb n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bhb h LEU 66 N 0.00 0.00 0.00 0.99 4.07 -1.89 -3.49 115.31 114.99 1bhb h LEU 66 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bhb h LEU 66 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1bhb h LEU 66 CO 0.00 0.19 -0.08 0.41 -1.08 0.00 0.00 178.44 177.88 1bhb n THR 67 N -2.88 0.13 -2.73 0.22 -1.04 -1.26 -4.57 114.28 102.15 1bhb n THR 67 Ca -0.01 0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 1bhb n THR 67 Cb 0.05 -0.69 0.04 0.00 -1.82 0.00 0.00 70.33 67.90 1bhb n THR 67 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1bhb n MET 68 N -3.11 1.64 -3.81 -2.82 2.81 -1.26 -3.54 117.12 107.03 1bhb n MET 68 Ca 0.00 -3.47 -0.30 0.00 -1.81 0.00 0.00 57.70 52.12 1bhb n MET 68 Cb 0.04 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 30.89 1bhb n MET 68 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1bhb s VAL 69 N -3.64 1.79 -2.00 2.03 1.01 -1.26 -4.86 120.40 113.47 1bhb s VAL 69 Ca 0.29 -2.68 0.24 0.00 0.00 0.00 0.00 61.98 59.82 1bhb s VAL 69 Cb 0.38 -2.26 0.68 0.00 0.00 0.00 0.00 36.38 35.18 1bhb s VAL 69 CO -0.01 -0.83 1.80 -0.81 0.00 0.00 0.00 175.10 175.25