#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 4.26 0.33 0.00 6.02 -0.63 0.54 117.38 127.91 1bhb n GLN 3 Ca 0.00 -3.81 0.20 0.00 -0.01 0.00 0.00 57.00 53.38 1bhb n GLN 3 Cb 0.00 -2.71 1.09 0.00 1.02 0.00 0.00 30.24 29.64 1bhb n GLN 3 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 1bhb h ILE 4 N 3.18 0.00 -5.94 5.09 3.07 -1.74 -2.98 117.51 118.19 1bhb h ILE 4 Ca 0.47 0.00 -0.38 0.00 1.55 0.00 0.00 64.86 66.50 1bhb h ILE 4 Cb 0.50 0.89 0.10 0.00 -0.27 0.00 0.00 36.82 38.03 1bhb h ILE 4 CO 1.49 0.00 -0.85 0.41 -1.05 0.00 0.00 178.15 178.15 1bhb n THR 5 N -2.98 -5.81 -2.61 0.16 -1.04 -1.26 -4.89 114.28 95.85 1bhb n THR 5 Ca -0.03 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.05 61.21 1bhb n THR 5 Cb 0.14 -4.55 0.05 0.00 -1.82 0.00 0.00 70.33 64.15 1bhb n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bhb n GLY 6 N -1.48 0.27 3.91 3.41 0.00 -1.26 -5.11 105.19 104.92 1bhb n GLY 6 Ca -0.22 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1bhb n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bhb s ARG 7 N 0.07 3.49 0.43 1.61 0.52 -1.26 -4.99 118.95 118.82 1bhb s ARG 7 Ca 0.06 -0.32 0.10 0.00 -0.52 0.00 0.00 55.73 55.05 1bhb s ARG 7 Cb 0.20 -3.00 0.93 0.00 0.52 0.00 0.00 34.95 33.60 1bhb s ARG 7 CO -0.05 0.58 2.02 -1.00 0.02 0.00 0.00 175.30 176.87 1bhb h PRO 8 N 3.11 0.29 -0.07 3.54 0.13 -2.01 0.50 132.00 137.50 1bhb h PRO 8 Ca -0.46 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 1bhb h PRO 8 Cb 1.17 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1bhb h PRO 8 CO 0.74 0.28 -0.72 0.93 -0.23 0.00 0.00 178.00 179.00 1bhb h GLU 9 N 0.30 0.35 -0.21 0.86 4.39 -1.98 0.02 114.58 118.30 1bhb h GLU 9 Ca 0.07 -0.28 -0.16 0.00 0.34 0.00 0.00 59.36 59.33 1bhb h GLU 9 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1bhb h GLU 9 CO -0.00 0.93 -0.53 2.35 -1.16 0.00 0.00 179.01 180.60 1bhb h TRP 10 N 0.24 0.74 -0.36 4.33 7.01 -1.70 0.47 115.95 126.68 1bhb h TRP 10 Ca -0.03 -0.26 -0.17 0.00 2.11 0.00 0.00 58.89 60.55 1bhb h TRP 10 Cb 1.28 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1bhb h TRP 10 CO 0.04 0.99 -0.42 0.82 -2.79 0.00 0.00 178.44 177.08 1bhb h ILE 11 N 0.46 1.27 -0.45 2.65 1.08 -0.81 0.40 117.51 122.12 1bhb h ILE 11 Ca 0.01 -1.60 -0.08 0.00 -0.39 0.00 0.00 64.86 62.80 1bhb h ILE 11 Cb 1.07 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 1bhb h ILE 11 CO 0.10 0.53 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.78 1bhb h TRP 12 N 0.74 0.84 -0.48 1.37 2.91 -0.83 -0.45 115.95 120.06 1bhb h TRP 12 Ca 0.05 -0.13 -0.11 0.00 1.13 0.00 0.00 58.89 59.83 1bhb h TRP 12 Cb 1.02 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 1bhb h TRP 12 CO 0.07 0.81 -0.11 1.25 -1.03 0.00 0.00 178.44 179.42 1bhb h LEU 13 N 0.71 0.92 -0.63 0.65 5.85 -0.65 0.33 115.31 122.49 1bhb h LEU 13 Ca 0.13 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1bhb h LEU 13 Cb 0.52 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1bhb h LEU 13 CO 0.03 1.07 0.36 0.00 -0.34 0.00 0.00 178.44 179.56 1bhb h ALA 14 N 0.88 0.80 -0.63 1.25 0.00 -0.45 0.97 119.26 122.09 1bhb h ALA 14 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1bhb h ALA 14 Cb 0.67 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1bhb h ALA 14 CO 0.05 0.31 0.11 -0.07 0.00 0.00 0.00 179.25 179.64 1bhb h LEU 15 N 0.85 1.00 -0.86 0.00 3.38 -0.87 -0.35 115.31 118.46 1bhb h LEU 15 Ca 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1bhb h LEU 15 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1bhb h LEU 15 CO -0.04 1.00 0.43 1.23 0.09 0.00 0.00 178.44 181.16 1bhb h GLY 16 N 0.96 1.31 1.64 0.83 0.00 -0.27 0.11 103.07 107.65 1bhb h GLY 16 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1bhb h GLY 16 CO 0.01 0.60 -0.48 -0.84 0.00 0.00 0.00 176.54 175.83 1bhb h THR 17 N 1.22 1.33 -0.14 4.70 2.02 -0.50 -0.66 112.91 120.88 1bhb h THR 17 Ca 0.30 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 1bhb h THR 17 Cb 0.09 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1bhb h THR 17 CO -0.04 0.52 -0.01 0.00 0.37 0.00 0.00 175.52 176.36 1bhb h ALA 18 N 1.18 0.19 -0.65 6.16 0.00 -0.47 0.11 119.26 125.77 1bhb h ALA 18 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bhb h ALA 18 Cb 0.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1bhb h ALA 18 CO 0.08 -0.10 0.32 -0.07 0.00 0.00 0.00 179.25 179.48 1bhb h LEU 19 N -0.03 0.85 -0.96 0.00 4.07 -0.91 -0.59 115.31 117.74 1bhb h LEU 19 Ca 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 1bhb h LEU 19 Cb 0.40 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1bhb h LEU 19 CO 0.01 0.74 0.24 -0.03 -1.08 0.00 0.00 178.44 178.32 1bhb h MET 20 N 0.90 0.99 -0.32 1.13 4.05 -0.97 0.34 114.93 121.06 1bhb h MET 20 Ca 0.22 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1bhb h MET 20 Cb 0.11 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1bhb h MET 20 CO -0.03 0.83 -0.02 0.78 0.23 0.00 0.00 176.91 178.70 1bhb h GLY 21 N 1.05 0.62 1.13 1.39 0.00 -0.24 -0.03 103.07 106.99 1bhb h GLY 21 Ca 0.22 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1bhb h GLY 21 CO -0.01 0.43 0.15 1.41 0.00 0.00 0.00 176.54 178.52 1bhb h LEU 22 N 0.37 1.02 -0.92 3.11 3.38 -0.86 -0.66 115.31 120.75 1bhb h LEU 22 Ca 0.09 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1bhb h LEU 22 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1bhb h LEU 22 CO 0.02 0.99 -0.11 1.23 0.09 0.00 0.00 178.44 180.65 1bhb h GLY 23 N 1.07 0.73 0.93 0.83 0.00 -0.74 -0.34 103.07 105.54 1bhb h GLY 23 Ca 0.21 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1bhb h GLY 23 CO 0.00 0.49 -0.20 -0.84 0.00 0.00 0.00 176.54 175.99 1bhb h THR 24 N 0.61 1.30 -0.36 4.70 2.02 -0.52 -1.02 112.91 119.64 1bhb h THR 24 Ca 0.11 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 1bhb h THR 24 Cb 0.55 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1bhb h THR 24 CO 0.03 0.43 0.13 -0.07 0.37 0.00 0.00 175.52 176.42 1bhb h LEU 25 N 0.40 0.50 -0.78 2.58 3.38 -0.94 -0.33 115.31 120.13 1bhb h LEU 25 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1bhb h LEU 25 Cb 0.75 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1bhb h LEU 25 CO 0.06 0.55 0.52 0.22 0.09 0.00 0.00 178.44 179.87 1bhb h TYR 26 N 0.43 0.98 -0.14 1.13 3.20 -1.00 -0.73 116.97 120.84 1bhb h TYR 26 Ca 0.12 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1bhb h TYR 26 Cb 0.21 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1bhb h TYR 26 CO 0.00 0.61 -0.27 0.35 -1.64 0.00 0.00 178.16 177.21 1bhb h PHE 27 N 1.05 0.27 -0.37 -3.82 3.57 -0.88 -1.85 116.94 114.91 1bhb h PHE 27 Ca 0.29 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 1bhb h PHE 27 Cb -0.11 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1bhb h PHE 27 CO -0.02 0.50 -0.21 1.25 -2.23 0.00 0.00 178.31 177.61 1bhb h LEU 28 N 0.22 0.83 -0.83 0.59 6.46 -0.18 0.01 115.31 122.41 1bhb h LEU 28 Ca 0.03 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1bhb h LEU 28 Cb 0.60 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1bhb h LEU 28 CO 0.04 1.06 0.40 0.58 -0.62 0.00 0.00 178.44 179.90 1bhb h VAL 29 N 0.60 1.26 -0.45 1.05 2.07 -0.84 0.12 116.25 120.06 1bhb h VAL 29 Ca 0.08 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1bhb h VAL 29 Cb 0.76 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1bhb h VAL 29 CO 0.06 0.31 0.02 0.11 0.02 0.00 0.00 177.57 178.09 1bhb h LYS 30 N 1.19 0.78 -0.74 1.57 1.57 -1.14 0.39 116.57 120.18 1bhb h LYS 30 Ca 0.29 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1bhb h LYS 30 Cb 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1bhb h LYS 30 CO -0.04 0.83 0.32 0.78 -0.57 0.00 0.00 179.45 180.77 1bhb h GLY 31 N 0.63 1.17 1.22 3.86 0.00 -0.44 -0.09 103.07 109.41 1bhb h GLY 31 Ca 0.13 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1bhb h GLY 31 CO 0.02 0.57 -0.45 1.98 0.00 0.00 0.00 176.54 178.66 1bhb h MET 32 N 1.07 0.83 -0.48 4.80 1.85 -0.52 -3.16 114.93 119.33 1bhb h MET 32 Ca 0.25 -0.47 -0.07 0.00 -0.61 0.00 0.00 59.70 58.80 1bhb h MET 32 Cb 0.17 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 1bhb h MET 32 CO -0.02 1.11 0.02 0.78 -0.40 0.00 0.00 176.91 178.39 1bhb h GLY 33 N 0.82 0.90 -5.39 1.39 0.00 -0.56 -3.51 103.07 96.72 1bhb h GLY 33 Ca 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1bhb h GLY 33 CO 0.10 0.60 -0.18 0.54 0.00 0.00 0.00 176.54 177.60 1bhb s VAL 34 N -5.05 -0.01 0.31 4.60 0.11 -0.08 -5.09 120.40 115.18 1bhb s VAL 34 Ca -0.13 0.05 0.20 0.00 -2.93 0.00 0.00 61.98 59.18 1bhb s VAL 34 Cb 0.11 -0.72 0.32 0.00 -1.53 0.00 0.00 36.38 34.56 1bhb s VAL 34 CO 0.81 0.02 1.20 -0.81 -3.33 0.00 0.00 175.10 172.99 1bhb n PRO 37 N 3.97 -0.04 -0.65 1.54 -0.04 -1.26 -3.98 135.00 134.54 1bhb n PRO 37 Ca -0.20 1.01 0.01 0.00 -0.04 0.00 0.00 63.50 64.27 1bhb n PRO 37 Cb 0.56 -1.89 0.21 0.00 -0.04 0.00 0.00 33.50 32.35 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 -4.50 2.86 -0.07 3.54 9.92 -1.26 -0.73 116.55 126.31 1bhb n ASP 38 Ca 0.30 -3.51 -0.04 0.00 -0.53 0.00 0.00 54.79 51.01 1bhb n ASP 38 Cb 1.08 -0.59 -0.15 0.00 -0.64 0.00 0.00 41.12 40.81 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bhb n ALA 39 N -0.97 1.88 0.00 2.24 0.00 -1.26 -4.87 120.51 117.53 1bhb n ALA 39 Ca 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1bhb n ALA 39 Cb 0.96 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1bhb n ALA 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bhb n LYS 40 N -2.56 0.00 -0.29 0.00 3.00 -1.26 -4.94 118.16 112.10 1bhb n LYS 40 Ca -0.23 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.20 1bhb n LYS 40 Cb 0.95 0.00 0.27 0.00 0.00 0.00 0.00 35.03 36.25 1bhb n LYS 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1bhb h LYS 41 N 0.00 0.19 -0.09 1.64 1.57 -1.92 0.52 116.57 118.48 1bhb h LYS 41 Ca 0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1bhb h LYS 41 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1bhb h LYS 41 CO 0.00 0.12 -0.11 0.35 -0.57 0.00 0.00 179.45 179.24 1bhb h PHE 42 N 0.19 -0.28 0.00 -1.35 3.57 -1.27 0.81 116.94 118.62 1bhb h PHE 42 Ca 0.53 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.99 1bhb h PHE 42 Cb 1.05 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1bhb h PHE 42 CO -0.29 -0.17 -0.25 1.88 -2.23 0.00 0.00 178.31 177.25 1bhb h TYR 43 N -0.15 0.00 0.10 0.41 0.05 -0.80 -0.38 116.97 116.20 1bhb h TYR 43 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1bhb h TYR 43 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1bhb h TYR 43 CO -0.22 0.25 -0.05 0.00 -1.05 0.00 0.00 178.16 177.09 1bhb h ALA 44 N 1.75 -0.14 -0.78 3.88 0.00 0.93 0.04 119.26 124.94 1bhb h ALA 44 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1bhb h ALA 44 Cb 0.44 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1bhb h ALA 44 CO 0.03 -0.43 0.38 0.82 0.00 0.00 0.00 179.25 180.05 1bhb h ILE 45 N -0.44 1.24 0.00 0.00 5.03 -0.63 0.16 117.51 122.87 1bhb h ILE 45 Ca -0.01 -0.68 -0.04 0.00 -0.12 0.00 0.00 64.86 64.01 1bhb h ILE 45 Cb 0.37 0.24 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1bhb h ILE 45 CO 0.02 0.29 -0.20 0.74 -0.68 0.00 0.00 178.15 178.32 1bhb h THR 46 N 1.11 1.13 0.00 -0.27 2.02 -0.91 0.26 112.91 116.24 1bhb h THR 46 Ca 0.27 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1bhb h THR 46 Cb 0.11 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1bhb h THR 46 CO -0.03 0.20 -0.58 0.74 0.37 0.00 0.00 175.52 176.21 1bhb h THR 47 N 0.00 0.00 -0.56 3.16 2.02 0.28 -3.22 112.91 114.59 1bhb h THR 47 Ca -0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1bhb h THR 47 Cb 0.36 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1bhb h THR 47 CO 0.03 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.10 1bhb n LEU 48 N -2.39 4.10 0.01 2.58 4.77 0.45 -4.44 117.00 122.08 1bhb n LEU 48 Ca 0.03 -2.32 -0.11 0.00 -0.03 0.00 0.00 56.01 53.58 1bhb n LEU 48 Cb 0.48 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1bhb n LEU 48 CO 0.36 0.82 0.88 0.58 -1.33 0.00 0.00 177.39 178.70 1bhb h VAL 49 N 3.42 1.05 0.00 4.08 2.07 -1.01 0.18 116.25 126.04 1bhb h VAL 49 Ca 0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1bhb h VAL 49 Cb 1.20 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1bhb h VAL 49 CO 0.13 0.05 -0.29 1.55 0.02 0.00 0.00 177.57 179.03 1bhb h PRO 50 N 0.06 0.00 -0.31 1.57 0.13 -1.81 -1.71 132.00 129.92 1bhb h PRO 50 Ca 0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 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 -0.00 0.29 -0.50 0.00 -0.23 0.00 0.00 178.00 177.55 1bhb h ALA 51 N 1.71 0.48 -0.13 -0.56 0.00 -1.66 0.16 119.26 119.25 1bhb h ALA 51 Ca -0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 1bhb h ALA 51 Cb 0.97 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bhb h ALA 51 CO 0.04 0.66 -0.81 0.82 0.00 0.00 0.00 179.25 179.96 1bhb h ILE 52 N 0.68 1.28 -0.78 0.00 1.08 -0.58 -1.43 117.51 117.76 1bhb h ILE 52 Ca 0.03 -2.01 -0.03 0.00 -0.39 0.00 0.00 64.86 62.45 1bhb h ILE 52 Cb 1.11 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 36.85 1bhb h ILE 52 CO 0.11 0.64 0.35 0.00 -0.69 0.00 0.00 178.15 178.56 1bhb h ALA 53 N 0.56 1.01 -0.45 1.87 0.00 -1.26 -0.05 119.26 120.94 1bhb h ALA 53 Ca -0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1bhb h ALA 53 Cb 1.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1bhb h ALA 53 CO 0.16 0.59 -0.23 0.35 0.00 0.00 0.00 179.25 180.13 1bhb h PHE 54 N 1.11 1.07 -0.49 0.00 3.57 -0.91 -1.16 116.94 120.13 1bhb h PHE 54 Ca 0.26 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1bhb h PHE 54 Cb 0.15 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1bhb h PHE 54 CO 0.01 1.06 0.15 1.15 -2.23 0.00 0.00 178.31 178.46 1bhb h THR 55 N 0.80 1.23 -0.33 4.41 2.02 -0.81 0.11 112.91 120.34 1bhb h THR 55 Ca 0.10 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1bhb h THR 55 Cb 0.79 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1bhb h THR 55 CO 0.07 0.28 0.07 0.24 0.37 0.00 0.00 175.52 176.54 1bhb h MET 56 N 0.65 0.54 -0.72 6.66 2.86 -0.91 -0.74 114.93 123.27 1bhb h MET 56 Ca 0.16 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1bhb h MET 56 Cb 0.27 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1bhb h MET 56 CO -0.01 0.61 0.22 -0.92 1.06 0.00 0.00 176.91 177.87 1bhb h TYR 57 N 0.37 1.15 -0.52 -0.22 3.20 -1.06 -0.34 116.97 119.55 1bhb h TYR 57 Ca 0.10 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1bhb h TYR 57 Cb 0.32 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1bhb h TYR 57 CO 0.02 0.91 0.15 1.25 -1.64 0.00 0.00 178.16 178.85 1bhb h LEU 58 N 1.07 0.77 -1.12 2.82 6.46 -0.60 0.47 115.31 125.17 1bhb h LEU 58 Ca 0.23 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1bhb h LEU 58 Cb 0.31 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1bhb h LEU 58 CO -0.01 0.78 0.02 -1.28 -0.62 0.00 0.00 178.44 177.33 1bhb h SER 59 N 0.71 0.60 -0.36 1.25 0.87 -0.77 0.63 113.55 116.49 1bhb h SER 59 Ca 0.17 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 1bhb h SER 59 Cb 0.29 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1bhb h SER 59 CO -0.00 0.66 -0.32 -0.03 -0.53 0.00 0.00 176.83 176.61 1bhb h MET 60 N 0.60 0.85 0.00 2.24 1.85 -0.54 0.36 114.93 120.29 1bhb h MET 60 Ca 0.13 -0.43 -0.10 0.00 -0.61 0.00 0.00 59.70 58.69 1bhb h MET 60 Cb 0.36 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1bhb h MET 60 CO 0.01 1.07 -0.48 -0.07 -0.40 0.00 0.00 176.91 177.04 1bhb h LEU 61 N 0.64 0.00 -0.12 3.39 -0.00 -0.56 0.16 115.31 118.83 1bhb h LEU 61 Ca 0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.70 1bhb h LEU 61 Cb 0.90 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.57 1bhb h LEU 61 CO 0.08 0.48 -0.89 0.25 -0.00 0.00 0.00 178.44 178.36 1bhb h LEU 62 N 0.00 0.87 -0.57 1.67 5.85 -0.66 -3.17 115.31 119.30 1bhb h LEU 62 Ca -0.00 -0.63 -0.15 0.00 0.84 0.00 0.00 57.88 57.94 1bhb h LEU 62 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1bhb h LEU 62 CO 0.06 1.43 -0.70 1.23 -0.34 0.00 0.00 178.44 180.11 1bhb h GLY 63 N 0.61 0.00 -1.84 3.75 0.00 -0.66 -3.45 103.07 101.48 1bhb h GLY 63 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.71 1bhb h GLY 63 CO 0.18 0.00 0.42 -0.47 0.00 0.00 0.00 176.54 176.66 1bhb s TYR 64 N -3.38 2.03 0.00 5.60 5.04 0.55 -4.84 117.35 122.35 1bhb s TYR 64 Ca -0.01 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1bhb s TYR 64 Cb 0.12 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.90 1bhb s TYR 64 CO 0.77 -2.70 0.00 0.41 -1.34 0.00 0.00 175.55 172.69 1bhb n GLY 65 N 0.53 3.33 0.10 8.97 0.00 0.67 -4.96 105.19 113.82 1bhb n GLY 65 Ca 0.14 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1bhb n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bhb h LEU 66 N 0.00 -0.09 0.05 0.99 5.85 -0.88 -3.17 115.31 118.06 1bhb h LEU 66 Ca 0.00 -0.35 -0.34 0.00 0.84 0.00 0.00 57.88 58.03 1bhb h LEU 66 Cb 0.00 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1bhb h LEU 66 CO 0.00 0.54 -1.94 0.41 -0.34 0.00 0.00 178.44 177.11 1bhb n THR 67 N -4.81 1.66 -2.47 1.05 -1.04 0.19 -1.60 114.28 107.26 1bhb n THR 67 Ca -0.05 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.05 60.80 1bhb n THR 67 Cb 0.22 -1.31 -0.02 0.00 -1.82 0.00 0.00 70.33 67.39 1bhb n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1bhb s MET 68 N -2.57 4.03 -0.42 -2.82 -2.45 -1.26 -4.58 119.30 109.24 1bhb s MET 68 Ca -0.15 1.33 0.02 0.00 -1.25 0.00 0.00 55.69 55.64 1bhb s MET 68 Cb 0.07 -3.82 0.15 0.00 1.25 0.00 0.00 34.83 32.49 1bhb s MET 68 CO 0.79 -0.96 0.29 0.08 1.05 0.00 0.00 175.02 176.26 1bhb s VAL 69 N 3.99 0.64 -2.00 10.11 1.01 -1.26 -0.24 120.40 132.65 1bhb s VAL 69 Ca 0.54 -2.42 0.24 0.00 0.00 0.00 0.00 61.98 60.34 1bhb s VAL 69 Cb -0.17 -1.45 0.68 0.00 0.00 0.00 0.00 36.38 35.44 1bhb s VAL 69 CO 0.19 -1.07 1.79 -0.81 0.00 0.00 0.00 175.10 175.20