#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 -0.06 -1.26 -3.99 117.38 111.89 1bhb n GLN 3 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 55.07 1bhb n GLN 3 Cb 0.00 0.00 0.21 0.00 -4.06 0.00 0.00 30.24 26.39 1bhb n GLN 3 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1bhb n ILE 4 N 0.00 0.46 -3.84 1.69 -0.00 -1.26 -4.94 119.36 111.47 1bhb n ILE 4 Ca 0.00 -0.50 -0.30 0.00 -0.00 0.00 0.00 62.75 61.95 1bhb n ILE 4 Cb 0.00 0.30 0.01 0.00 -0.00 0.00 0.00 39.64 39.95 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 -2.02 -2.45 7.28 5.66 -1.26 -4.72 114.28 117.38 1bhb n THR 5 Ca 0.14 -0.31 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 1bhb n THR 5 Cb 0.34 -1.74 -0.00 0.00 -1.55 0.00 0.00 70.33 67.37 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 -1.67 2.70 3.60 1.09 0.00 -1.26 -4.94 105.19 104.71 1bhb n GLY 6 Ca -0.13 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 4.25 3.78 -0.98 1.61 0.52 -1.26 -4.93 118.95 121.94 1bhb s ARG 7 Ca 0.54 0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 56.25 1bhb s ARG 7 Cb 0.05 -3.84 -0.00 0.00 0.52 0.00 0.00 34.95 31.67 1bhb s ARG 7 CO 0.07 -1.11 2.81 -0.35 0.02 0.00 0.00 175.30 176.74 1bhb n PRO 8 N 7.14 3.48 0.08 3.54 -0.04 -1.26 -4.47 135.00 143.47 1bhb n PRO 8 Ca 0.09 -2.53 -0.22 0.00 -0.04 0.00 0.00 63.50 60.81 1bhb n PRO 8 Cb 0.48 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.07 0.37 0.00 0.54 4.57 -1.98 -0.94 114.58 121.21 1bhb h GLU 9 Ca 0.59 -0.64 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1bhb h GLU 9 Cb 0.58 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1bhb h GLU 9 CO 1.21 1.30 -0.53 2.35 -1.18 0.00 0.00 179.01 182.17 1bhb h TRP 10 N -0.21 0.00 -0.09 0.92 2.91 -1.99 0.39 115.95 117.88 1bhb h TRP 10 Ca -0.19 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.64 1bhb h TRP 10 Cb 1.82 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.48 1bhb h TRP 10 CO 0.17 0.53 -0.69 0.82 -1.03 0.00 0.00 178.44 178.24 1bhb h ILE 11 N 0.00 1.33 -0.37 2.65 1.08 -1.88 -0.39 117.51 119.93 1bhb h ILE 11 Ca -0.01 -1.97 -0.08 0.00 -0.39 0.00 0.00 64.86 62.41 1bhb h ILE 11 Cb 0.93 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.87 1bhb h ILE 11 CO 0.07 0.61 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.78 1bhb h TRP 12 N 0.28 0.68 -0.43 1.37 7.01 -0.94 -0.12 115.95 123.81 1bhb h TRP 12 Ca -0.06 -0.11 -0.12 0.00 2.11 0.00 0.00 58.89 60.70 1bhb h TRP 12 Cb 1.34 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 1bhb h TRP 12 CO 0.11 0.71 -0.22 1.25 -2.79 0.00 0.00 178.44 177.50 1bhb h LEU 13 N 0.58 0.94 -0.66 0.65 5.85 -0.84 0.55 115.31 122.39 1bhb h LEU 13 Ca 0.11 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1bhb h LEU 13 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1bhb h LEU 13 CO 0.03 1.14 0.31 0.00 -0.34 0.00 0.00 178.44 179.58 1bhb h ALA 14 N 0.83 0.85 -0.35 1.25 0.00 -0.55 0.11 119.26 121.41 1bhb h ALA 14 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1bhb h ALA 14 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1bhb h ALA 14 CO 0.06 0.42 -0.19 -0.07 0.00 0.00 0.00 179.25 179.48 1bhb h LEU 15 N 0.92 0.65 -0.52 0.00 3.38 -0.84 -0.69 115.31 118.21 1bhb h LEU 15 Ca 0.23 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1bhb h LEU 15 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1bhb h LEU 15 CO -0.03 0.85 0.02 1.23 0.09 0.00 0.00 178.44 180.60 1bhb h GLY 16 N 0.99 0.98 1.36 0.83 0.00 -0.17 0.23 103.07 107.29 1bhb h GLY 16 Ca 0.09 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1bhb h GLY 16 CO 0.05 0.65 -0.32 -0.84 0.00 0.00 0.00 176.54 176.08 1bhb h THR 17 N 0.78 1.28 -0.31 4.70 2.02 -0.57 -0.60 112.91 120.20 1bhb h THR 17 Ca 0.15 -1.46 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 1bhb h THR 17 Cb 0.49 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1bhb h THR 17 CO 0.02 0.48 -0.02 0.00 0.37 0.00 0.00 175.52 176.37 1bhb h ALA 18 N 1.04 0.43 -0.44 6.16 0.00 -0.92 0.32 119.26 125.84 1bhb h ALA 18 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bhb h ALA 18 Cb 0.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1bhb h ALA 18 CO 0.07 0.20 0.24 1.25 0.00 0.00 0.00 179.25 181.01 1bhb h LEU 19 N 0.36 0.55 -0.79 0.00 6.46 -0.82 -0.71 115.31 120.35 1bhb h LEU 19 Ca 0.09 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1bhb h LEU 19 Cb 0.47 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1bhb h LEU 19 CO 0.02 0.48 0.46 -0.03 -0.62 0.00 0.00 178.44 178.75 1bhb h MET 20 N 0.57 1.09 -0.38 1.25 4.05 -0.94 0.01 114.93 120.58 1bhb h MET 20 Ca 0.15 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1bhb h MET 20 Cb 0.05 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1bhb h MET 20 CO -0.03 0.78 0.20 0.78 0.23 0.00 0.00 176.91 178.87 1bhb h GLY 21 N 1.09 0.58 1.30 1.39 0.00 -0.49 0.04 103.07 106.98 1bhb h GLY 21 Ca 0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1bhb h GLY 21 CO -0.05 0.26 0.16 1.41 0.00 0.00 0.00 176.54 178.32 1bhb h LEU 22 N 0.48 0.82 -0.74 3.11 3.38 -0.80 -0.93 115.31 120.62 1bhb h LEU 22 Ca 0.13 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1bhb h LEU 22 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1bhb h LEU 22 CO -0.02 0.79 0.12 1.23 0.09 0.00 0.00 178.44 180.65 1bhb h GLY 23 N 0.99 1.16 1.00 0.83 0.00 -0.48 0.09 103.07 106.66 1bhb h GLY 23 Ca 0.19 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 1bhb h GLY 23 CO -0.00 0.70 -0.09 -0.84 0.00 0.00 0.00 176.54 176.30 1bhb h THR 24 N 1.02 1.27 -0.51 4.70 2.02 -0.47 -0.51 112.91 120.43 1bhb h THR 24 Ca 0.20 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 1bhb h THR 24 Cb 0.41 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1bhb h THR 24 CO 0.01 0.40 0.17 -0.07 0.37 0.00 0.00 175.52 176.40 1bhb h LEU 25 N 0.63 0.73 -1.03 2.58 3.38 -0.96 -0.57 115.31 120.06 1bhb h LEU 25 Ca 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1bhb h LEU 25 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1bhb h LEU 25 CO 0.04 0.73 0.19 0.22 0.09 0.00 0.00 178.44 179.71 1bhb h TYR 26 N 0.69 0.90 -0.17 1.13 3.20 -0.83 -0.26 116.97 121.63 1bhb h TYR 26 Ca 0.17 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 1bhb h TYR 26 Cb 0.25 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1bhb h TYR 26 CO 0.01 0.72 -0.41 0.35 -1.64 0.00 0.00 178.16 177.19 1bhb h PHE 27 N 0.86 0.47 -0.20 -3.82 3.57 -0.67 -1.27 116.94 115.88 1bhb h PHE 27 Ca 0.20 -0.13 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 1bhb h PHE 27 Cb 0.24 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1bhb h PHE 27 CO 0.02 0.75 -0.62 -0.07 -2.23 0.00 0.00 178.31 176.16 1bhb h LEU 28 N 0.33 0.78 -0.45 0.59 3.38 -0.56 0.16 115.31 119.54 1bhb h LEU 28 Ca 0.03 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1bhb h LEU 28 Cb 0.87 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1bhb h LEU 28 CO 0.07 1.21 0.09 0.58 0.09 0.00 0.00 178.44 180.48 1bhb h VAL 29 N 0.51 1.24 -0.29 1.22 2.07 -0.86 0.74 116.25 120.88 1bhb h VAL 29 Ca -0.01 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1bhb h VAL 29 Cb 1.20 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1bhb h VAL 29 CO 0.12 0.31 -0.40 0.11 0.02 0.00 0.00 177.57 177.73 1bhb h LYS 30 N 0.61 0.68 -0.75 1.57 1.79 -1.16 -0.19 116.57 119.11 1bhb h LYS 30 Ca 0.14 -0.35 -0.05 0.00 -2.18 0.00 0.00 60.65 58.20 1bhb h LYS 30 Cb 0.36 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1bhb h LYS 30 CO 0.01 0.96 0.26 0.78 -1.08 0.00 0.00 179.45 180.38 1bhb h GLY 31 N 0.97 1.23 1.40 3.86 0.00 -0.34 -2.85 103.07 107.34 1bhb h GLY 31 Ca 0.05 -0.71 -0.22 0.00 0.00 0.00 0.00 47.33 46.45 1bhb h GLY 31 CO 0.08 0.66 -0.87 1.98 0.00 0.00 0.00 176.54 178.40 1bhb h MET 32 N 1.11 0.57 -2.76 4.80 1.85 -0.70 -3.49 114.93 116.31 1bhb h MET 32 Ca 0.25 -0.53 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 1bhb h MET 32 Cb 0.27 0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.43 1bhb h MET 32 CO -0.01 1.16 0.00 0.41 -0.40 0.00 0.00 176.91 178.06 1bhb n GLY 33 N 0.81 -0.29 0.00 1.39 0.00 -0.10 -5.10 105.19 101.91 1bhb n GLY 33 Ca -0.07 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.82 0.00 0.00 1.61 3.14 -1.20 -5.07 118.33 115.98 1bhb n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bhb n VAL 34 Cb 0.36 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 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 -0.71 0.00 -2.21 1.45 -0.04 -1.26 -5.20 135.00 127.03 1bhb n PRO 37 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1bhb n PRO 37 Cb 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.03 0.61 -4.72 3.54 8.00 -1.26 -4.95 116.55 117.74 1bhb n ASP 38 Ca 0.00 -2.04 -0.29 0.00 0.71 0.00 0.00 54.79 53.17 1bhb n ASP 38 Cb 0.00 -0.15 0.16 0.00 -0.02 0.00 0.00 41.12 41.11 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bhb s ALA 39 N -1.60 1.29 0.23 2.24 0.00 -1.26 -4.80 121.76 117.85 1bhb s ALA 39 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1bhb s ALA 39 Cb 0.33 -3.10 0.23 0.00 0.00 0.00 0.00 23.12 20.58 1bhb s ALA 39 CO -0.09 -2.60 1.65 -0.22 0.00 0.00 0.00 175.76 174.51 1bhb h LYS 40 N -1.72 0.74 -0.27 0.00 3.11 -1.99 0.26 116.57 116.69 1bhb h LYS 40 Ca -0.53 -0.28 -0.09 0.00 -2.81 0.00 0.00 60.65 56.93 1bhb h LYS 40 Cb 1.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1bhb h LYS 40 CO 0.59 0.88 -0.20 0.87 -2.81 0.00 0.00 179.45 178.78 1bhb h LYS 41 N 0.65 0.61 -0.83 1.90 1.57 -1.99 -1.12 116.57 117.36 1bhb h LYS 41 Ca 0.10 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1bhb h LYS 41 Cb 0.70 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1bhb h LYS 41 CO 0.05 0.89 0.37 0.35 -0.57 0.00 0.00 179.45 180.54 1bhb h PHE 42 N 0.34 1.23 -0.52 -1.35 3.57 -1.87 -0.97 116.94 117.37 1bhb h PHE 42 Ca 0.05 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1bhb h PHE 42 Cb 0.74 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1bhb h PHE 42 CO 0.07 0.90 -0.13 -0.92 -2.23 0.00 0.00 178.31 176.00 1bhb h TYR 43 N 1.20 1.11 -0.31 0.41 3.20 -0.85 -0.17 116.97 121.56 1bhb h TYR 43 Ca 0.28 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1bhb h TYR 43 Cb 0.16 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1bhb h TYR 43 CO 0.02 1.04 0.13 0.00 -1.64 0.00 0.00 178.16 177.71 1bhb h ALA 44 N 0.96 0.40 -0.72 1.82 0.00 -0.83 0.88 119.26 121.78 1bhb h ALA 44 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1bhb h ALA 44 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1bhb h ALA 44 CO 0.05 -0.00 0.33 0.82 0.00 0.00 0.00 179.25 180.44 1bhb h ILE 45 N 0.35 1.24 0.00 0.00 2.04 -1.05 0.18 117.51 120.28 1bhb h ILE 45 Ca 0.10 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1bhb h ILE 45 Cb 0.18 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1bhb h ILE 45 CO -0.01 0.29 -0.18 0.74 0.00 0.00 0.00 178.15 178.99 1bhb h THR 46 N 1.01 0.78 0.00 -0.27 2.02 -0.64 -0.04 112.91 115.77 1bhb h THR 46 Ca 0.24 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1bhb h THR 46 Cb 0.15 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1bhb h THR 46 CO -0.03 0.17 -0.66 0.74 0.37 0.00 0.00 175.52 176.12 1bhb h THR 47 N 0.00 0.00 -0.62 3.16 2.02 0.33 -3.23 112.91 114.56 1bhb h THR 47 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1bhb h THR 47 Cb 0.41 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 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 -2.50 3.67 0.01 2.58 4.32 0.53 -4.44 117.00 121.17 1bhb n LEU 48 Ca 0.02 -1.99 -0.11 0.00 -0.02 0.00 0.00 56.01 53.91 1bhb n LEU 48 Cb 0.50 -0.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 1bhb n LEU 48 CO 0.37 0.91 0.89 0.58 -1.22 0.00 0.00 177.39 178.92 1bhb h VAL 49 N 3.69 1.04 0.00 4.08 2.07 -1.08 0.17 116.25 126.22 1bhb h VAL 49 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1bhb h VAL 49 Cb 0.92 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1bhb h VAL 49 CO 0.00 0.03 -0.20 1.55 0.02 0.00 0.00 177.57 178.97 1bhb h PRO 50 N 0.07 0.00 -0.25 1.57 0.13 -1.82 -1.74 132.00 129.97 1bhb h PRO 50 Ca 0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1bhb h PRO 50 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1bhb h PRO 50 CO -0.01 0.20 -0.58 0.00 -0.23 0.00 0.00 178.00 177.39 1bhb h ALA 51 N 1.80 0.40 -0.09 -0.56 0.00 -1.65 -0.04 119.26 119.13 1bhb h ALA 51 Ca -0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1bhb h ALA 51 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bhb h ALA 51 CO 0.03 0.64 -0.81 0.82 0.00 0.00 0.00 179.25 179.93 1bhb h ILE 52 N 0.59 1.33 -0.56 0.00 2.04 -0.58 -1.32 117.51 119.01 1bhb h ILE 52 Ca -0.00 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.68 1bhb h ILE 52 Cb 1.19 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 1bhb h ILE 52 CO 0.13 0.66 0.18 0.00 0.00 0.00 0.00 178.15 179.11 1bhb h ALA 53 N 0.72 0.74 -0.50 1.87 0.00 -1.27 0.10 119.26 120.91 1bhb h ALA 53 Ca -0.06 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1bhb h ALA 53 Cb 1.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1bhb h ALA 53 CO 0.15 0.40 -0.11 0.35 0.00 0.00 0.00 179.25 180.04 1bhb h PHE 54 N 0.79 1.07 -0.47 0.00 3.57 -0.96 -0.94 116.94 119.99 1bhb h PHE 54 Ca 0.18 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1bhb h PHE 54 Cb 0.28 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1bhb h PHE 54 CO 0.02 1.02 0.20 1.15 -2.23 0.00 0.00 178.31 178.47 1bhb h THR 55 N 0.81 1.20 -0.28 4.41 2.02 -0.98 0.58 112.91 120.67 1bhb h THR 55 Ca 0.13 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1bhb h THR 55 Cb 0.67 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1bhb h THR 55 CO 0.05 0.23 0.09 -0.03 0.37 0.00 0.00 175.52 176.22 1bhb h MET 56 N 0.62 0.44 -0.81 6.66 1.85 -0.87 -0.50 114.93 122.32 1bhb h MET 56 Ca 0.16 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 1bhb h MET 56 Cb 0.16 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1bhb h MET 56 CO -0.02 0.50 0.41 -0.92 -0.40 0.00 0.00 176.91 176.49 1bhb h TYR 57 N 0.29 1.13 -0.55 1.39 3.20 -0.99 -0.15 116.97 121.28 1bhb h TYR 57 Ca 0.09 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1bhb h TYR 57 Cb 0.24 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1bhb h TYR 57 CO 0.00 0.80 -0.04 1.25 -1.64 0.00 0.00 178.16 178.53 1bhb h LEU 58 N 1.14 0.97 -1.29 2.82 6.46 -0.65 0.45 115.31 125.19 1bhb h LEU 58 Ca 0.28 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1bhb h LEU 58 Cb 0.07 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 1bhb h LEU 58 CO -0.04 1.04 -0.34 0.28 -0.62 0.00 0.00 178.44 178.76 1bhb h SER 59 N 0.89 0.00 0.00 1.25 0.02 -0.41 -0.17 113.55 115.13 1bhb h SER 59 Ca 0.15 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1bhb h SER 59 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1bhb h SER 59 CO 0.03 0.34 -0.15 -0.03 -1.14 0.00 0.00 176.83 175.88 1bhb h MET 60 N 0.00 0.10 -0.85 3.45 4.05 -0.41 0.33 114.93 121.60 1bhb h MET 60 Ca -0.00 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 1bhb h MET 60 Cb 0.66 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 1bhb h MET 60 CO 0.04 0.89 0.43 -0.07 0.23 0.00 0.00 176.91 178.43 1bhb h LEU 61 N -0.65 1.10 -0.30 3.39 -0.00 -0.84 -1.76 115.31 116.25 1bhb h LEU 61 Ca -0.02 -0.12 -0.18 0.00 -0.00 0.00 0.00 57.88 57.56 1bhb h LEU 61 Cb 0.95 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 1bhb h LEU 61 CO 0.03 0.91 -0.86 0.25 -0.00 0.00 0.00 178.44 178.78 1bhb h LEU 62 N 1.21 0.05 -0.29 1.67 6.46 -1.09 -3.26 115.31 120.05 1bhb h LEU 62 Ca 0.30 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1bhb h LEU 62 Cb 0.09 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 1bhb h LEU 62 CO -0.04 0.88 -0.04 1.23 -0.62 0.00 0.00 178.44 179.84 1bhb h GLY 63 N 2.41 0.24 0.13 3.75 0.00 0.55 -3.07 103.07 107.08 1bhb h GLY 63 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1bhb h GLY 63 CO 0.11 -0.09 -0.19 -0.97 0.00 0.00 0.00 176.54 175.41 1bhb h TYR 64 N 0.03 -0.53 -2.58 5.60 0.05 -1.48 -3.46 116.97 114.61 1bhb h TYR 64 Ca 0.14 0.01 -0.32 0.00 0.05 0.00 0.00 58.73 58.60 1bhb h TYR 64 Cb 0.20 0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 1bhb h TYR 64 CO -0.25 -0.23 -0.43 0.41 -1.05 0.00 0.00 178.16 176.60 1bhb n GLY 65 N -1.19 -0.29 0.02 3.88 0.00 -1.16 -4.93 105.19 101.52 1bhb n GLY 65 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.51 0.57 -0.44 0.99 4.32 -1.26 -4.23 117.00 114.44 1bhb n LEU 66 Ca -0.17 0.31 0.04 0.00 -0.02 0.00 0.00 56.01 56.16 1bhb n LEU 66 Cb 0.64 -0.61 0.05 0.00 -1.62 0.00 0.00 43.42 41.88 1bhb n LEU 66 CO 0.25 -0.48 0.34 1.07 -1.22 0.00 0.00 177.39 177.36 1bhb n THR 67 N -3.01 0.67 -0.10 -5.08 5.66 -1.26 -4.67 114.28 106.48 1bhb n THR 67 Ca -0.03 -0.89 -0.20 0.00 -3.05 0.00 0.00 64.05 59.89 1bhb n THR 67 Cb 0.10 0.28 -0.07 0.00 -1.55 0.00 0.00 70.33 69.09 1bhb n THR 67 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1bhb n MET 68 N -0.45 0.45 -2.74 1.09 2.81 -1.26 -4.94 117.12 112.07 1bhb n MET 68 Ca 0.06 0.19 -0.06 0.00 -1.81 0.00 0.00 57.70 56.08 1bhb n MET 68 Cb 0.71 -1.26 0.04 0.00 -0.71 0.00 0.00 33.22 32.00 1bhb n MET 68 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1bhb n VAL 69 N -4.03 0.00 1.50 2.03 3.14 -1.26 -5.05 118.33 114.65 1bhb n VAL 69 Ca -0.36 -1.18 0.12 0.00 -2.96 0.00 0.00 64.34 59.96 1bhb n VAL 69 Cb 0.72 1.25 0.71 0.00 -1.06 0.00 0.00 33.84 35.46 1bhb n VAL 69 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56