#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 0.00 -0.18 0.00 6.02 -1.26 -3.47 117.38 118.49 1bhb n GLN 3 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1bhb n GLN 3 Cb 0.00 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.46 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 0.00 0.48 -3.77 5.09 -0.00 -1.26 -4.94 119.36 114.96 1bhb n ILE 4 Ca 0.00 -0.50 -0.28 0.00 -0.00 0.00 0.00 62.75 61.97 1bhb n ILE 4 Cb 0.00 0.29 0.01 0.00 -0.00 0.00 0.00 39.64 39.94 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 0.61 -2.08 -1.77 7.28 5.66 -1.23 -4.81 114.28 117.95 1bhb n THR 5 Ca 0.14 -0.26 -0.36 0.00 -3.05 0.00 0.00 64.05 60.53 1bhb n THR 5 Cb 0.33 -1.81 0.05 0.00 -1.55 0.00 0.00 70.33 67.35 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 -1.61 5.77 0.29 1.09 0.00 -1.26 -4.63 105.19 104.85 1bhb n GLY 6 Ca -0.15 -2.46 0.18 0.00 0.00 0.00 0.00 46.02 43.59 1bhb n GLY 6 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bhb h ARG 7 N 2.53 0.00 -0.24 1.61 0.11 -1.97 -1.44 114.38 114.97 1bhb h ARG 7 Ca 0.54 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.59 1bhb h ARG 7 Cb 0.52 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 1bhb h ARG 7 CO 1.38 0.04 -0.01 -0.35 0.10 0.00 0.00 179.97 181.14 1bhb n PRO 8 N -3.31 2.51 -0.04 0.08 -0.04 -1.26 -4.61 135.00 128.34 1bhb n PRO 8 Ca -0.02 -2.87 -0.15 0.00 -0.04 0.00 0.00 63.50 60.43 1bhb n PRO 8 Cb 0.19 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 1bhb n PRO 8 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bhb h GLU 9 N 1.42 0.48 -0.09 0.54 4.81 -1.61 -0.07 114.58 120.06 1bhb h GLU 9 Ca 0.04 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 1bhb h GLU 9 Cb 1.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1bhb h GLU 9 CO 0.22 0.97 -0.39 2.35 -0.73 0.00 0.00 179.01 181.43 1bhb h TRP 10 N 0.07 0.21 -0.38 0.92 7.01 -1.82 -0.45 115.95 121.52 1bhb h TRP 10 Ca -0.01 -0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.79 1bhb h TRP 10 Cb 1.01 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 1bhb h TRP 10 CO 0.11 0.56 -0.30 0.82 -2.79 0.00 0.00 178.44 176.84 1bhb h ILE 11 N 0.16 1.28 -0.35 2.65 1.08 -1.82 0.11 117.51 120.62 1bhb h ILE 11 Ca 0.02 -1.46 -0.08 0.00 -0.39 0.00 0.00 64.86 62.94 1bhb h ILE 11 Cb 0.77 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1bhb h ILE 11 CO 0.06 0.49 -0.13 -0.25 -0.69 0.00 0.00 178.15 177.63 1bhb h TRP 12 N 0.69 0.67 -0.43 1.37 7.01 -0.61 -0.34 115.95 124.30 1bhb h TRP 12 Ca 0.07 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 1bhb h TRP 12 Cb 0.88 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1bhb h TRP 12 CO 0.06 0.72 -0.22 1.25 -2.79 0.00 0.00 178.44 177.46 1bhb h LEU 13 N 0.56 0.95 -0.65 0.65 6.46 -0.78 0.41 115.31 122.91 1bhb h LEU 13 Ca 0.10 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1bhb h LEU 13 Cb 0.55 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1bhb h LEU 13 CO 0.03 1.15 0.31 0.00 -0.62 0.00 0.00 178.44 179.31 1bhb h ALA 14 N 0.83 0.84 -0.38 1.25 0.00 -0.29 0.11 119.26 121.62 1bhb h ALA 14 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1bhb h ALA 14 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bhb h ALA 14 CO 0.07 0.40 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 1bhb h LEU 15 N 0.90 0.69 -0.56 0.00 3.38 -0.88 -0.60 115.31 118.24 1bhb h LEU 15 Ca 0.22 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1bhb h LEU 15 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1bhb h LEU 15 CO -0.03 0.86 0.04 1.23 0.09 0.00 0.00 178.44 180.64 1bhb h GLY 16 N 0.98 1.03 1.37 0.83 0.00 -0.19 0.47 103.07 107.57 1bhb h GLY 16 Ca 0.10 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 1bhb h GLY 16 CO 0.04 0.67 -0.36 -0.84 0.00 0.00 0.00 176.54 176.06 1bhb h THR 17 N 0.85 1.29 -0.39 4.70 2.02 -0.56 -0.63 112.91 120.19 1bhb h THR 17 Ca 0.16 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 1bhb h THR 17 Cb 0.48 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1bhb h THR 17 CO 0.02 0.49 -0.06 0.00 0.37 0.00 0.00 175.52 176.34 1bhb h ALA 18 N 1.02 0.53 -0.54 6.16 0.00 -0.89 0.92 119.26 126.47 1bhb h ALA 18 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1bhb h ALA 18 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1bhb h ALA 18 CO 0.08 0.37 0.22 1.25 0.00 0.00 0.00 179.25 181.17 1bhb h LEU 19 N 0.54 0.74 -0.93 0.00 5.85 -0.77 -0.68 115.31 120.06 1bhb h LEU 19 Ca 0.10 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1bhb h LEU 19 Cb 0.57 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1bhb h LEU 19 CO 0.03 0.70 0.03 -0.03 -0.34 0.00 0.00 178.44 178.83 1bhb h MET 20 N 0.73 0.81 0.11 1.25 4.05 -0.92 0.78 114.93 121.73 1bhb h MET 20 Ca 0.18 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1bhb h MET 20 Cb 0.19 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1bhb h MET 20 CO -0.02 0.80 -0.05 0.78 0.23 0.00 0.00 176.91 178.65 1bhb h GLY 21 N 0.97 -0.15 1.47 1.39 0.00 -0.36 0.96 103.07 107.35 1bhb h GLY 21 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1bhb h GLY 21 CO 0.02 -0.06 0.08 1.41 0.00 0.00 0.00 176.54 177.99 1bhb h LEU 22 N -0.38 0.62 -0.81 3.11 4.07 -1.04 -0.82 115.31 120.07 1bhb h LEU 22 Ca -0.01 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 1bhb h LEU 22 Cb 0.32 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1bhb h LEU 22 CO 0.02 0.64 -0.11 1.23 -1.08 0.00 0.00 178.44 179.15 1bhb h GLY 23 N 0.89 0.85 1.15 0.83 0.00 -0.64 0.19 103.07 106.33 1bhb h GLY 23 Ca 0.14 -0.64 -0.17 0.00 0.00 0.00 0.00 47.33 46.67 1bhb h GLY 23 CO 0.00 0.59 -0.44 -0.84 0.00 0.00 0.00 176.54 175.85 1bhb h THR 24 N 0.71 1.27 -0.41 4.70 2.02 -0.16 -0.99 112.91 120.05 1bhb h THR 24 Ca 0.12 -1.62 -0.07 0.00 0.77 0.00 0.00 66.41 65.61 1bhb h THR 24 Cb 0.59 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1bhb h THR 24 CO 0.04 0.54 -0.01 -0.07 0.37 0.00 0.00 175.52 176.39 1bhb h LEU 25 N 0.73 0.72 -0.65 2.58 3.38 -0.96 0.93 115.31 122.04 1bhb h LEU 25 Ca 0.05 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1bhb h LEU 25 Cb 1.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1bhb h LEU 25 CO 0.10 0.86 0.28 0.22 0.09 0.00 0.00 178.44 180.00 1bhb h TYR 26 N 0.57 0.97 -0.05 1.13 3.20 -0.89 -0.57 116.97 121.33 1bhb h TYR 26 Ca 0.12 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1bhb h TYR 26 Cb 0.50 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1bhb h TYR 26 CO 0.04 0.74 -0.50 0.35 -1.64 0.00 0.00 178.16 177.16 1bhb h PHE 27 N 0.91 0.16 -0.41 -3.82 3.57 -1.01 -1.95 116.94 114.39 1bhb h PHE 27 Ca 0.22 -0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1bhb h PHE 27 Cb 0.17 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1bhb h PHE 27 CO 0.01 0.60 -0.28 1.25 -2.23 0.00 0.00 178.31 177.66 1bhb h LEU 28 N 0.10 0.96 -0.64 0.59 5.85 -0.32 0.69 115.31 122.55 1bhb h LEU 28 Ca 0.00 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 1bhb h LEU 28 Cb 0.92 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1bhb h LEU 28 CO 0.07 1.19 0.09 0.58 -0.34 0.00 0.00 178.44 180.03 1bhb h VAL 29 N 0.74 1.26 -0.54 1.05 2.07 -0.93 0.14 116.25 120.04 1bhb h VAL 29 Ca 0.08 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1bhb h VAL 29 Cb 0.86 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1bhb h VAL 29 CO 0.08 0.38 -0.08 0.11 0.02 0.00 0.00 177.57 178.08 1bhb h LYS 30 N 0.97 0.99 -0.35 1.57 1.57 -1.18 0.23 116.57 120.37 1bhb h LYS 30 Ca 0.19 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1bhb h LYS 30 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1bhb h LYS 30 CO 0.01 1.02 -0.21 0.78 -0.57 0.00 0.00 179.45 180.49 1bhb h GLY 31 N 0.96 0.73 1.08 3.86 0.00 -0.45 -1.40 103.07 107.85 1bhb h GLY 31 Ca 0.15 -0.60 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 1bhb h GLY 31 CO 0.04 0.55 -0.53 1.98 0.00 0.00 0.00 176.54 178.58 1bhb h MET 32 N 0.59 0.78 -1.41 4.80 1.85 -0.43 -3.22 114.93 117.89 1bhb h MET 32 Ca 0.09 -0.52 -0.69 0.00 -0.61 0.00 0.00 59.70 57.97 1bhb h MET 32 Cb 0.68 0.07 -0.31 0.00 0.43 0.00 0.00 31.60 32.47 1bhb h MET 32 CO 0.05 1.15 0.56 0.41 -0.40 0.00 0.00 176.91 178.67 1bhb n GLY 33 N 0.43 5.82 0.00 1.39 0.00 0.04 -5.09 105.19 107.78 1bhb n GLY 33 Ca -0.05 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1bhb n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bhb n VAL 34 N -0.70 0.00 0.00 1.61 3.14 -0.54 -4.89 118.33 116.96 1bhb n VAL 34 Ca 0.54 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.92 1bhb n VAL 34 Cb 0.53 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 1bhb n VAL 34 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bhb n PRO 37 N 0.00 0.00 0.00 1.45 -0.04 -1.26 -5.09 135.00 130.06 1bhb n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bhb n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bhb n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bhb n ASP 38 N 2.70 0.00 -0.14 3.54 2.03 -1.26 -4.89 116.55 118.53 1bhb n ASP 38 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1bhb n ASP 38 Cb 0.00 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bhb h ALA 39 N 0.00 0.55 -0.15 -1.67 0.00 -2.05 0.92 119.26 116.86 1bhb h ALA 39 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1bhb h ALA 39 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bhb h ALA 39 CO 0.00 0.26 -0.39 -0.22 0.00 0.00 0.00 179.25 178.89 1bhb h LYS 40 N 0.54 0.33 -0.26 0.00 3.11 -1.98 -0.79 116.57 117.52 1bhb h LYS 40 Ca 0.13 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 1bhb h LYS 40 Cb 0.36 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1bhb h LYS 40 CO 0.01 0.68 0.04 0.87 -2.81 0.00 0.00 179.45 178.23 1bhb h LYS 41 N 0.28 0.43 -0.41 1.90 1.79 -1.80 0.42 116.57 119.18 1bhb h LYS 41 Ca 0.03 -0.12 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 1bhb h LYS 41 Cb 0.82 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1bhb h LYS 41 CO 0.07 0.56 -0.06 0.35 -1.08 0.00 0.00 179.45 179.29 1bhb h PHE 42 N 0.24 0.75 -0.44 -1.35 3.57 -0.63 -0.50 116.94 118.57 1bhb h PHE 42 Ca 0.08 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1bhb h PHE 42 Cb 0.34 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1bhb h PHE 42 CO 0.02 0.74 -0.26 -0.92 -2.23 0.00 0.00 178.31 175.67 1bhb h TYR 43 N 0.64 1.08 -0.39 0.41 3.20 -0.91 -1.30 116.97 119.69 1bhb h TYR 43 Ca 0.12 -0.27 -0.14 0.00 3.14 0.00 0.00 58.73 61.58 1bhb h TYR 43 Cb 0.49 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1bhb h TYR 43 CO 0.02 1.08 -0.31 0.00 -1.64 0.00 0.00 178.16 177.31 1bhb h ALA 44 N 0.90 0.70 -0.13 1.82 0.00 -0.64 -0.77 119.26 121.14 1bhb h ALA 44 Ca 0.10 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bhb h ALA 44 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1bhb h ALA 44 CO 0.07 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.88 1bhb h ILE 45 N 0.73 1.09 0.00 0.00 1.08 -0.93 0.43 117.51 119.92 1bhb h ILE 45 Ca 0.08 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1bhb h ILE 45 Cb 0.87 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1bhb h ILE 45 CO 0.08 0.08 -0.14 0.71 -0.69 0.00 0.00 178.15 178.19 1bhb h THR 46 N 0.12 0.65 0.00 -0.27 1.35 -1.13 0.28 112.91 113.92 1bhb h THR 46 Ca 0.05 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1bhb h THR 46 Cb 0.07 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1bhb h THR 46 CO -0.01 0.14 -0.51 0.74 -0.25 0.00 0.00 175.52 175.63 1bhb h THR 47 N 0.00 0.00 -0.46 6.82 2.02 -0.20 -3.21 112.91 117.88 1bhb h THR 47 Ca -0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1bhb h THR 47 Cb 0.38 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1bhb h THR 47 CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1bhb n LEU 48 N -2.30 3.23 -0.01 2.58 4.77 0.14 -4.51 117.00 120.91 1bhb n LEU 48 Ca 0.03 -1.94 -0.11 0.00 -0.03 0.00 0.00 56.01 53.96 1bhb n LEU 48 Cb 0.46 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1bhb n LEU 48 CO 0.36 0.80 0.88 0.58 -1.33 0.00 0.00 177.39 178.67 1bhb h VAL 49 N 2.84 1.07 0.00 4.08 2.07 -1.01 0.16 116.25 125.47 1bhb h VAL 49 Ca 0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1bhb h VAL 49 Cb 0.81 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1bhb h VAL 49 CO 0.00 0.06 -0.20 1.55 0.02 0.00 0.00 177.57 179.00 1bhb h PRO 50 N 0.08 0.00 -0.21 1.57 0.13 -1.82 -1.70 132.00 130.05 1bhb h PRO 50 Ca 0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 1bhb h PRO 50 Cb 0.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.19 1bhb h PRO 50 CO -0.01 0.20 -0.63 0.00 -0.23 0.00 0.00 178.00 177.33 1bhb h ALA 51 N 1.80 0.37 -0.11 -0.56 0.00 -1.65 -0.13 119.26 118.98 1bhb h ALA 51 Ca -0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 1bhb h ALA 51 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bhb h ALA 51 CO 0.03 0.64 -0.79 0.82 0.00 0.00 0.00 179.25 179.95 1bhb h ILE 52 N 0.56 1.32 -0.57 0.00 2.04 -0.60 -1.29 117.51 118.97 1bhb h ILE 52 Ca -0.02 -2.09 -0.05 0.00 1.00 0.00 0.00 64.86 63.71 1bhb h ILE 52 Cb 1.25 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1bhb h ILE 52 CO 0.14 0.64 0.17 0.00 0.00 0.00 0.00 178.15 179.10 1bhb h ALA 53 N 0.70 0.75 -0.51 1.87 0.00 -1.28 0.60 119.26 121.39 1bhb h ALA 53 Ca -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1bhb h ALA 53 Cb 1.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1bhb h ALA 53 CO 0.15 0.42 -0.09 0.35 0.00 0.00 0.00 179.25 180.08 1bhb h PHE 54 N 0.80 1.06 -0.70 0.00 3.57 -0.97 -1.08 116.94 119.62 1bhb h PHE 54 Ca 0.18 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1bhb h PHE 54 Cb 0.29 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1bhb h PHE 54 CO 0.02 1.00 0.16 1.15 -2.23 0.00 0.00 178.31 178.41 1bhb h THR 55 N 0.81 1.26 -0.37 4.41 2.02 -0.96 0.13 112.91 120.21 1bhb h THR 55 Ca 0.13 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1bhb h THR 55 Cb 0.64 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1bhb h THR 55 CO 0.04 0.38 -0.01 -0.03 0.37 0.00 0.00 175.52 176.27 1bhb h MET 56 N 1.06 0.66 -0.27 6.66 1.85 -0.71 -0.87 114.93 123.30 1bhb h MET 56 Ca 0.22 -0.22 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1bhb h MET 56 Cb 0.39 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 1bhb h MET 56 CO 0.00 0.77 -0.30 -0.92 -0.40 0.00 0.00 176.91 176.07 1bhb h TYR 57 N 0.47 0.63 -0.34 1.39 3.20 -1.00 -0.68 116.97 120.64 1bhb h TYR 57 Ca 0.10 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1bhb h TYR 57 Cb 0.48 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1bhb h TYR 57 CO 0.04 0.79 0.01 1.25 -1.64 0.00 0.00 178.16 178.60 1bhb h LEU 58 N 0.47 0.59 -1.07 2.82 6.46 -0.57 0.15 115.31 124.15 1bhb h LEU 58 Ca 0.06 -0.30 -0.08 0.00 -0.12 0.00 0.00 57.88 57.44 1bhb h LEU 58 Cb 0.75 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1bhb h LEU 58 CO 0.06 0.74 -0.16 0.77 -0.62 0.00 0.00 178.44 179.23 1bhb h SER 59 N 0.41 0.46 -0.29 1.25 4.64 -0.99 -0.07 113.55 118.96 1bhb h SER 59 Ca 0.10 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1bhb h SER 59 Cb 0.44 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1bhb h SER 59 CO 0.02 0.64 -0.13 -0.03 -0.87 0.00 0.00 176.83 176.46 1bhb h MET 60 N 0.43 0.60 -0.24 4.77 1.85 -0.79 -0.09 114.93 121.46 1bhb h MET 60 Ca 0.08 -0.26 -0.10 0.00 -0.61 0.00 0.00 59.70 58.81 1bhb h MET 60 Cb 0.53 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 1bhb h MET 60 CO 0.03 0.83 -0.26 -0.07 -0.40 0.00 0.00 176.91 177.04 1bhb h LEU 61 N 0.35 0.48 -0.16 3.39 -0.00 -0.73 0.15 115.31 118.78 1bhb h LEU 61 Ca 0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 1bhb h LEU 61 Cb 0.64 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1bhb h LEU 61 CO 0.04 0.73 -0.01 0.25 -0.00 0.00 0.00 178.44 179.45 1bhb h LEU 62 N 0.42 0.29 -0.96 1.67 5.85 -0.84 -1.22 115.31 120.52 1bhb h LEU 62 Ca 0.06 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1bhb h LEU 62 Cb 0.68 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1bhb h LEU 62 CO 0.05 0.54 0.12 1.23 -0.34 0.00 0.00 178.44 180.05 1bhb h GLY 63 N 0.03 0.95 2.00 3.75 0.00 -0.80 -0.89 103.07 108.10 1bhb h GLY 63 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1bhb h GLY 63 CO 0.01 0.53 0.00 -1.82 0.00 0.00 0.00 176.54 175.26 1bhb h TYR 64 N 0.84 0.00 0.00 5.60 3.20 -0.81 -0.99 116.97 124.82 1bhb h TYR 64 Ca 0.18 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1bhb h TYR 64 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1bhb h TYR 64 CO 0.02 0.00 -1.23 0.41 -1.64 0.00 0.00 178.16 175.72 1bhb n GLY 65 N 0.10 -1.34 0.14 1.82 0.00 -0.48 -3.47 105.19 101.96 1bhb n GLY 65 Ca 0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 0.63 -1.85 0.99 3.38 -0.75 0.06 115.31 117.76 1bhb h LEU 66 Ca -0.05 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 56.96 1bhb h LEU 66 Cb 1.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1bhb h LEU 66 CO 0.01 1.76 -0.13 0.00 0.09 0.00 0.00 178.44 180.17 1bhb h THR 67 N 0.06 0.55 0.03 0.22 1.03 -1.34 -1.11 112.91 112.34 1bhb h THR 67 Ca -0.33 -0.58 -0.35 0.00 -0.01 0.00 0.00 66.41 65.15 1bhb h THR 67 Cb 2.07 1.38 -0.04 0.00 -1.07 0.00 0.00 68.15 70.48 1bhb h THR 67 CO 0.18 0.12 -1.93 0.23 -0.01 0.00 0.00 175.52 174.11 1bhb n MET 68 N -3.61 0.63 -3.59 0.00 2.81 -1.23 -4.77 117.12 107.36 1bhb n MET 68 Ca -0.02 0.37 -0.28 0.00 -1.81 0.00 0.00 57.70 55.96 1bhb n MET 68 Cb 0.25 -1.64 -0.12 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.47 1.11 -2.00 2.03 1.01 0.01 -5.10 120.40 115.00 1bhb s VAL 69 Ca -0.31 -2.80 0.24 0.00 0.00 0.00 0.00 61.98 59.11 1bhb s VAL 69 Cb 0.09 -1.77 0.68 0.00 0.00 0.00 0.00 36.38 35.38 1bhb s VAL 69 CO 0.60 -1.06 1.80 -0.81 0.00 0.00 0.00 175.10 175.64