#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 -2.93 -1.55 0.00 6.02 -1.26 -4.76 117.38 112.91 1bhb n GLN 3 Ca 0.00 0.41 -0.44 0.00 -0.01 0.00 0.00 57.00 56.95 1bhb n GLN 3 Cb 0.00 -5.06 -0.04 0.00 1.02 0.00 0.00 30.24 26.16 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 -3.64 0.24 -3.99 5.09 -5.35 -1.26 -1.61 119.36 108.85 1bhb n ILE 4 Ca -0.03 -0.44 -0.28 0.00 -0.27 0.00 0.00 62.75 61.74 1bhb n ILE 4 Cb 0.54 -2.29 -0.01 0.00 -1.74 0.00 0.00 39.64 36.14 1bhb n ILE 4 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1bhb n THR 5 N 7.63 -2.67 -2.48 7.28 -1.04 -1.26 -4.87 114.28 116.88 1bhb n THR 5 Ca 0.35 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1bhb n THR 5 Cb 0.39 -2.55 -0.02 0.00 -1.82 0.00 0.00 70.33 66.32 1bhb n THR 5 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1bhb s GLY 6 N -4.07 1.96 0.11 3.41 0.00 -0.63 -4.93 107.32 103.17 1bhb s GLY 6 Ca 0.21 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.29 1bhb s GLY 6 CO 0.89 2.28 1.54 -0.09 0.00 0.00 0.00 173.10 177.71 1bhb h ARG 7 N 7.66 0.61 -0.89 2.90 1.12 -1.91 -3.05 114.38 120.81 1bhb h ARG 7 Ca -0.31 -0.20 -0.55 0.00 -1.11 0.00 0.00 59.98 57.81 1bhb h ARG 7 Cb 1.14 -0.05 -0.29 0.00 -0.01 0.00 0.00 29.97 30.76 1bhb h ARG 7 CO 0.91 0.74 0.50 -0.35 -3.11 0.00 0.00 179.97 178.67 1bhb n PRO 8 N -4.50 2.55 0.16 0.20 -0.04 -1.26 -4.09 135.00 128.01 1bhb n PRO 8 Ca -0.02 -3.29 0.01 0.00 -0.04 0.00 0.00 63.50 60.16 1bhb n PRO 8 Cb 0.28 -2.20 0.33 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.59 0.08 -0.14 0.54 4.11 -1.41 -0.12 114.58 119.24 1bhb h GLU 9 Ca 0.54 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.79 1bhb h GLU 9 Cb 1.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1bhb h GLU 9 CO 1.21 0.43 -0.57 2.35 0.07 0.00 0.00 179.01 182.49 1bhb h TRP 10 N 0.07 0.54 -0.24 2.06 2.91123.29 -0.80 115.95 243.79 1bhb h TRP 10 Ca 0.01 -0.20 -0.17 0.00 1.13 0.00 0.00 58.89 59.66 1bhb h TRP 10 Cb 0.65 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 1bhb h TRP 10 CO 0.00 0.90 -0.53 0.82 -1.03 0.00 0.00 178.44 178.60 1bhb h ILE 11 N 0.33 1.30 -0.41 2.65 1.08 -0.29 -0.51 117.51 121.65 1bhb h ILE 11 Ca 0.00 -1.75 -0.09 0.00 -0.39 0.00 0.00 64.86 62.64 1bhb h ILE 11 Cb 1.09 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 1bhb h ILE 11 CO 0.10 0.56 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.76 1bhb h TRP 12 N 0.54 0.79 -0.41 1.37 2.91 -0.84 -0.40 115.95 119.91 1bhb h TRP 12 Ca 0.02 -0.14 -0.09 0.00 1.13 0.00 0.00 58.89 59.81 1bhb h TRP 12 Cb 1.10 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 1bhb h TRP 12 CO 0.06 0.80 -0.10 1.25 -1.03 0.00 0.00 178.44 179.41 1bhb h LEU 13 N 0.66 0.80 -0.75 0.65 6.46 -0.89 0.14 115.31 122.37 1bhb h LEU 13 Ca 0.11 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1bhb h LEU 13 Cb 0.56 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1bhb h LEU 13 CO 0.03 0.98 0.45 0.00 -0.62 0.00 0.00 178.44 179.28 1bhb h ALA 14 N 0.85 0.96 -0.48 1.25 0.00 -0.67 0.12 119.26 121.28 1bhb h ALA 14 Ca 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1bhb h ALA 14 Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bhb h ALA 14 CO 0.04 0.44 -0.05 -0.07 0.00 0.00 0.00 179.25 179.61 1bhb h LEU 15 N 1.03 0.82 -0.59 0.00 3.38 -0.85 -0.70 115.31 118.40 1bhb h LEU 15 Ca 0.27 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1bhb h LEU 15 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1bhb h LEU 15 CO -0.05 0.92 0.11 1.23 0.09 0.00 0.00 178.44 180.74 1bhb h GLY 16 N 0.98 1.05 1.37 0.83 0.00 -0.05 0.46 103.07 107.71 1bhb h GLY 16 Ca 0.14 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1bhb h GLY 16 CO 0.03 0.64 -0.27 -0.84 0.00 0.00 0.00 176.54 176.10 1bhb h THR 17 N 0.88 1.28 -0.34 4.70 2.02 -0.52 -0.51 112.91 120.42 1bhb h THR 17 Ca 0.18 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 1bhb h THR 17 Cb 0.40 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1bhb h THR 17 CO 0.01 0.45 -0.07 0.00 0.37 0.00 0.00 175.52 176.29 1bhb h ALA 18 N 1.08 0.46 -0.51 6.16 0.00 -0.86 0.49 119.26 126.08 1bhb h ALA 18 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1bhb h ALA 18 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1bhb h ALA 18 CO 0.06 0.29 0.27 1.25 0.00 0.00 0.00 179.25 181.12 1bhb h LEU 19 N 0.43 0.65 -0.81 0.00 5.85 -0.74 -0.77 115.31 119.92 1bhb h LEU 19 Ca 0.09 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1bhb h LEU 19 Cb 0.56 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1bhb h LEU 19 CO 0.03 0.57 0.32 -0.03 -0.34 0.00 0.00 178.44 178.99 1bhb h MET 20 N 0.68 1.20 -0.06 1.25 4.05 -0.93 0.48 114.93 121.61 1bhb h MET 20 Ca 0.18 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1bhb h MET 20 Cb 0.08 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1bhb h MET 20 CO -0.03 0.97 0.03 0.78 0.23 0.00 0.00 176.91 178.89 1bhb h GLY 21 N 1.17 0.09 1.55 1.39 0.00 -0.44 0.56 103.07 107.39 1bhb h GLY 21 Ca 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1bhb h GLY 21 CO -0.02 0.04 0.00 1.41 0.00 0.00 0.00 176.54 177.97 1bhb h LEU 22 N -0.01 0.53 -0.73 3.11 4.07 -0.98 -1.01 115.31 120.29 1bhb h LEU 22 Ca 0.02 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 1bhb h LEU 22 Cb 0.10 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1bhb h LEU 22 CO -0.00 0.60 0.04 1.23 -1.08 0.00 0.00 178.44 179.22 1bhb h GLY 23 N 0.86 1.09 1.03 0.83 0.00 -0.45 0.11 103.07 106.55 1bhb h GLY 23 Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1bhb h GLY 23 CO 0.01 0.70 -0.30 -0.84 0.00 0.00 0.00 176.54 176.11 1bhb h THR 24 N 0.94 1.29 -0.30 4.70 2.02 -0.34 -0.92 112.91 120.29 1bhb h THR 24 Ca 0.18 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1bhb h THR 24 Cb 0.49 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1bhb h THR 24 CO 0.02 0.48 0.12 -0.07 0.37 0.00 0.00 175.52 176.44 1bhb h LEU 25 N 0.60 0.42 -0.61 2.58 3.38 -1.02 0.10 115.31 120.77 1bhb h LEU 25 Ca 0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bhb h LEU 25 Cb 0.87 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1bhb h LEU 25 CO 0.08 0.48 0.37 0.22 0.09 0.00 0.00 178.44 179.68 1bhb h TYR 26 N 0.34 0.79 -0.22 1.13 3.20 -0.92 -1.20 116.97 120.09 1bhb h TYR 26 Ca 0.10 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1bhb h TYR 26 Cb 0.19 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1bhb h TYR 26 CO -0.00 0.53 -0.12 0.35 -1.64 0.00 0.00 178.16 177.28 1bhb h PHE 27 N 0.82 0.37 -0.47 -3.82 3.57 -0.91 -1.98 116.94 114.51 1bhb h PHE 27 Ca 0.22 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1bhb h PHE 27 Cb -0.04 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1bhb h PHE 27 CO -0.02 0.47 -0.19 1.25 -2.23 0.00 0.00 178.31 177.59 1bhb h LEU 28 N 0.33 0.96 -0.81 0.59 5.85 -0.28 -1.26 115.31 120.69 1bhb h LEU 28 Ca 0.07 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1bhb h LEU 28 Cb 0.42 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1bhb h LEU 28 CO 0.02 1.12 0.32 0.58 -0.34 0.00 0.00 178.44 180.15 1bhb h VAL 29 N 0.82 1.26 -0.44 1.05 2.07 -0.69 0.22 116.25 120.55 1bhb h VAL 29 Ca 0.11 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1bhb h VAL 29 Cb 0.75 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1bhb h VAL 29 CO 0.06 0.34 0.14 0.11 0.02 0.00 0.00 177.57 178.24 1bhb h LYS 30 N 1.17 0.68 -0.73 1.57 1.57 -1.08 0.39 116.57 120.14 1bhb h LYS 30 Ca 0.27 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1bhb h LYS 30 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1bhb h LYS 30 CO -0.02 0.65 0.39 0.78 -0.57 0.00 0.00 179.45 180.68 1bhb h GLY 31 N 0.57 1.10 2.00 3.86 0.00 -0.75 -2.01 103.07 107.84 1bhb h GLY 31 Ca 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1bhb h GLY 31 CO -0.01 0.49 -0.26 -0.33 0.00 0.00 0.00 176.54 176.44 1bhb h MET 32 N 1.01 0.00 0.00 4.80 2.86 -0.68 -3.48 114.93 119.44 1bhb h MET 32 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1bhb h MET 32 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1bhb h MET 32 CO -0.04 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1bhb n GLY 33 N 0.61 2.06 3.05 8.32 0.00 0.13 -5.08 105.19 114.29 1bhb n GLY 33 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1bhb n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bhb n VAL 34 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.73 118.33 114.26 1bhb n VAL 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bhb n VAL 34 Cb 0.00 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1bhb n VAL 34 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1bhb n PRO 37 N 0.04 0.00 -3.76 5.55 -0.04 -1.26 -5.11 135.00 130.41 1bhb n PRO 37 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1bhb n PRO 37 Cb 0.25 -0.73 0.02 0.00 -0.04 0.00 0.00 33.50 33.00 1bhb n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bhb n ASP 38 N 0.66 -4.70 0.03 3.54 9.92 -1.26 -4.86 116.55 119.89 1bhb n ASP 38 Ca 0.00 -0.68 -0.19 0.00 -0.53 0.00 0.00 54.79 53.39 1bhb n ASP 38 Cb 0.00 -3.78 -0.13 0.00 -0.64 0.00 0.00 41.12 36.57 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bhb h ALA 39 N 0.97 -0.01 -0.01 2.24 0.00 -2.05 -1.60 119.26 118.80 1bhb h ALA 39 Ca -0.55 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 53.62 1bhb h ALA 39 Cb 1.36 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1bhb h ALA 39 CO 0.65 0.39 -0.41 1.57 0.00 0.00 0.00 179.25 181.46 1bhb h LYS 40 N -0.19 0.02 -0.06 0.00 2.10 -1.99 -0.43 116.57 116.02 1bhb h LYS 40 Ca -0.12 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.48 1bhb h LYS 40 Cb 1.53 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 1bhb h LYS 40 CO 0.15 0.42 -0.12 0.87 -2.00 0.00 0.00 179.45 178.76 1bhb h LYS 41 N 0.01 0.19 -0.79 0.07 1.79 -1.94 -1.12 116.57 114.79 1bhb h LYS 41 Ca -0.00 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1bhb h LYS 41 Cb 0.72 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 1bhb h LYS 41 CO 0.05 0.71 0.39 0.35 -1.08 0.00 0.00 179.45 179.88 1bhb h PHE 42 N -0.30 1.12 -0.38 -1.35 3.57 -1.09 -0.72 116.94 117.78 1bhb h PHE 42 Ca 0.00 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1bhb h PHE 42 Cb 0.70 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1bhb h PHE 42 CO 0.11 0.80 -0.05 -0.92 -2.23 0.00 0.00 178.31 176.02 1bhb h TYR 43 N 1.12 0.80 -0.51 0.41 3.20 -1.07 -0.30 116.97 120.62 1bhb h TYR 43 Ca 0.27 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1bhb h TYR 43 Cb 0.09 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1bhb h TYR 43 CO 0.01 0.83 0.29 0.00 -1.64 0.00 0.00 178.16 177.65 1bhb h ALA 44 N 0.85 0.65 -0.78 1.82 0.00 -0.85 0.11 119.26 121.06 1bhb h ALA 44 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bhb h ALA 44 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1bhb h ALA 44 CO 0.03 0.16 0.37 0.82 0.00 0.00 0.00 179.25 180.63 1bhb h ILE 45 N 0.68 1.25 0.00 0.00 1.08 -1.01 0.12 117.51 119.62 1bhb h ILE 45 Ca 0.18 -0.69 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1bhb h ILE 45 Cb 0.03 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1bhb h ILE 45 CO -0.03 0.29 -0.19 0.74 -0.69 0.00 0.00 178.15 178.27 1bhb h THR 46 N 1.10 0.68 0.00 -0.27 2.02 -0.39 -0.43 112.91 115.61 1bhb h THR 46 Ca 0.27 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bhb h THR 46 Cb 0.12 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1bhb h THR 46 CO -0.03 0.19 -0.57 0.41 0.37 0.00 0.00 175.52 175.88 1bhb n THR 47 N -3.65 0.30 0.69 3.16 -1.04 0.34 -3.42 114.28 110.66 1bhb n THR 47 Ca -0.01 -0.22 0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1bhb n THR 47 Cb 0.32 -0.09 0.11 0.00 -1.82 0.00 0.00 70.33 68.85 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 -2.00 2.84 0.00 -4.42 4.32 0.28 -4.38 117.00 113.63 1bhb n LEU 48 Ca 0.04 -1.13 -0.11 0.00 -0.02 0.00 0.00 56.01 54.78 1bhb n LEU 48 Cb 0.42 -0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.10 1bhb n LEU 48 CO 0.36 0.52 0.88 0.58 -1.22 0.00 0.00 177.39 178.51 1bhb h VAL 49 N 3.97 1.06 0.00 4.08 2.07 -1.14 0.42 116.25 126.71 1bhb h VAL 49 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1bhb h VAL 49 Cb 0.86 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1bhb h VAL 49 CO 0.00 0.05 -0.05 1.55 0.02 0.00 0.00 177.57 179.14 1bhb h PRO 50 N 0.07 0.00 -0.15 1.57 0.13 -1.80 -1.67 132.00 130.15 1bhb h PRO 50 Ca 0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.05 1bhb h PRO 50 Cb 0.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1bhb h PRO 50 CO -0.01 0.05 -0.35 0.00 -0.23 0.00 0.00 178.00 177.47 1bhb h ALA 51 N 1.95 0.25 -0.11 -0.56 0.00 -1.61 0.06 119.26 119.25 1bhb h ALA 51 Ca -0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1bhb h ALA 51 Cb 0.78 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bhb h ALA 51 CO 0.01 0.31 -0.71 0.82 0.00 0.00 0.00 179.25 179.67 1bhb h ILE 52 N 0.13 1.35 -0.48 0.00 5.03 -0.87 -1.19 117.51 121.48 1bhb h ILE 52 Ca 0.00 -2.06 -0.04 0.00 -0.12 0.00 0.00 64.86 62.65 1bhb h ILE 52 Cb 0.95 2.04 -0.02 0.00 -3.03 0.00 0.00 36.82 36.75 1bhb h ILE 52 CO 0.08 0.63 0.16 0.00 -0.68 0.00 0.00 178.15 178.33 1bhb h ALA 53 N 0.88 0.63 -0.45 1.87 0.00 -1.28 0.39 119.26 121.29 1bhb h ALA 53 Ca -0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1bhb h ALA 53 Cb 1.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bhb h ALA 53 CO 0.13 0.27 -0.07 0.35 0.00 0.00 0.00 179.25 179.93 1bhb h PHE 54 N 0.64 0.95 -0.76 0.00 3.57 -0.91 -1.19 116.94 119.23 1bhb h PHE 54 Ca 0.16 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1bhb h PHE 54 Cb 0.26 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1bhb h PHE 54 CO 0.01 0.93 0.38 1.15 -2.23 0.00 0.00 178.31 178.55 1bhb h THR 55 N 0.69 1.24 -0.14 4.41 2.02 -0.99 0.14 112.91 120.28 1bhb h THR 55 Ca 0.12 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1bhb h THR 55 Cb 0.60 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1bhb h THR 55 CO 0.04 0.28 0.02 -0.03 0.37 0.00 0.00 175.52 176.20 1bhb h MET 56 N 1.06 0.24 -0.23 6.66 1.85 -0.77 -0.95 114.93 122.78 1bhb h MET 56 Ca 0.26 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.24 1bhb h MET 56 Cb 0.09 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 1bhb h MET 56 CO -0.04 0.42 -0.06 -0.92 -0.40 0.00 0.00 176.91 175.92 1bhb h TYR 57 N 0.01 0.37 -0.37 1.39 3.20 -1.00 -1.02 116.97 119.55 1bhb h TYR 57 Ca 0.04 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1bhb h TYR 57 Cb 0.30 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1bhb h TYR 57 CO 0.02 0.43 -0.15 1.25 -1.64 0.00 0.00 178.16 178.06 1bhb h LEU 58 N 0.35 0.77 -1.13 2.82 6.46 -0.49 -0.55 115.31 123.53 1bhb h LEU 58 Ca 0.07 -0.40 -0.06 0.00 -0.12 0.00 0.00 57.88 57.38 1bhb h LEU 58 Cb 0.33 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1bhb h LEU 58 CO 0.01 0.99 -0.06 0.77 -0.62 0.00 0.00 178.44 179.54 1bhb h SER 59 N 0.55 0.51 0.04 1.25 4.64 -0.66 0.49 113.55 120.36 1bhb h SER 59 Ca 0.08 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1bhb h SER 59 Cb 0.69 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1bhb h SER 59 CO 0.05 0.62 -0.02 0.24 -0.87 0.00 0.00 176.83 176.85 1bhb h MET 60 N 0.51 -0.05 -0.51 4.77 2.86 -0.94 0.31 114.93 121.87 1bhb h MET 60 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1bhb h MET 60 Cb 0.42 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1bhb h MET 60 CO 0.02 0.38 0.25 -0.07 1.06 0.00 0.00 176.91 178.55 1bhb h LEU 61 N -0.49 0.63 -0.47 1.22 -0.00 -0.96 -0.16 115.31 115.07 1bhb h LEU 61 Ca -0.01 -0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.71 1bhb h LEU 61 Cb 0.45 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1bhb h LEU 61 CO 0.01 0.53 -0.16 0.25 -0.00 0.00 0.00 178.44 179.07 1bhb h LEU 62 N 0.71 0.96 0.06 1.67 5.85 -0.81 -3.16 115.31 120.59 1bhb h LEU 62 Ca 0.18 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1bhb h LEU 62 Cb 0.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1bhb h LEU 62 CO -0.03 1.12 -0.03 1.23 -0.34 0.00 0.00 178.44 180.40 1bhb h GLY 63 N 0.79 -0.08 -1.78 3.75 0.00 0.06 -3.43 103.07 102.37 1bhb h GLY 63 Ca 0.11 0.03 -0.49 0.00 0.00 0.00 0.00 47.33 46.98 1bhb h GLY 63 CO 0.06 -0.03 0.38 -0.19 0.00 0.00 0.00 176.54 176.76 1bhb s TYR 64 N -5.69 2.98 0.00 5.60 2.02 -0.17 -5.01 117.35 117.07 1bhb s TYR 64 Ca -0.14 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 1bhb s TYR 64 Cb 0.05 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 1bhb s TYR 64 CO 0.65 -1.10 0.00 0.41 -1.57 0.00 0.00 175.55 173.94 1bhb n GLY 65 N -0.86 0.04 0.27 0.71 0.00 -1.26 -4.85 105.19 99.25 1bhb n GLY 65 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1bhb n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bhb n LEU 66 N -2.14 2.35 -0.12 0.99 4.32 -1.26 -4.37 117.00 116.77 1bhb n LEU 66 Ca 0.00 -3.25 -0.27 0.00 -0.02 0.00 0.00 56.01 52.48 1bhb n LEU 66 Cb 0.00 -0.44 -0.11 0.00 -1.62 0.00 0.00 43.42 41.26 1bhb n LEU 66 CO 0.00 0.90 -1.13 0.41 -1.22 0.00 0.00 177.39 176.35 1bhb n THR 67 N -1.26 1.54 0.00 -5.08 -1.04 -1.26 -3.74 114.28 103.44 1bhb n THR 67 Ca 0.16 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.05 61.81 1bhb n THR 67 Cb 0.67 -1.91 -0.13 0.00 -1.82 0.00 0.00 70.33 67.13 1bhb n THR 67 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1bhb h MET 68 N -0.93 0.00 -2.39 -2.82 1.85 -1.90 -3.40 114.93 105.35 1bhb h MET 68 Ca -0.58 0.00 -0.59 0.00 -0.61 0.00 0.00 59.70 57.92 1bhb h MET 68 Cb 1.54 0.00 -0.39 0.00 0.43 0.00 0.00 31.60 33.18 1bhb h MET 68 CO -0.33 0.64 -0.94 1.33 -0.40 0.00 0.00 176.91 177.21 1bhb n VAL 69 N -3.14 -0.72 1.50 -5.77 0.24 -1.26 3.38 118.33 112.56 1bhb n VAL 69 Ca -0.12 -3.73 0.12 0.00 -2.04 0.00 0.00 64.34 58.58 1bhb n VAL 69 Cb 1.01 -1.77 0.71 0.00 -1.47 0.00 0.00 33.84 32.32 1bhb n VAL 69 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88