#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzf s ALA 2 N 0.00 -0.07 0.35 2.41 0.00 -0.99 -3.03 121.76 120.42 1bzf s ALA 2 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1bzf s ALA 2 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1bzf s ALA 2 CO 0.00 -0.12 0.52 -0.06 0.00 0.00 0.00 175.76 176.10 1bzf s PHE 3 N 1.02 3.34 -0.30 0.00 0.40 -1.16 -0.93 117.98 120.35 1bzf s PHE 3 Ca -0.08 0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1bzf s PHE 3 Cb -0.11 -1.95 0.18 0.00 0.51 0.00 0.00 43.02 41.65 1bzf s PHE 3 CO -0.04 0.04 0.89 -1.17 0.70 0.00 0.00 175.22 175.64 1bzf s LEU 4 N -4.28 -0.80 -0.03 -0.37 2.96 -0.84 -2.52 118.68 112.81 1bzf s LEU 4 Ca 0.42 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1bzf s LEU 4 Cb -0.10 1.63 0.01 0.00 0.50 0.00 0.00 46.19 48.23 1bzf s LEU 4 CO 0.34 -0.15 0.10 -1.66 -1.32 0.00 0.00 176.35 173.66 1bzf s TRP 5 N 2.92 -0.04 -0.39 5.38 -2.14 -1.13 -4.32 118.94 119.21 1bzf s TRP 5 Ca 0.10 0.11 -0.19 0.00 2.66 0.00 0.00 56.10 58.78 1bzf s TRP 5 Cb -0.10 -0.00 0.01 0.00 -3.10 0.00 0.00 33.47 30.28 1bzf s TRP 5 CO -0.17 -0.12 0.56 0.00 -2.66 0.00 0.00 176.95 174.57 1bzf s ALA 6 N -0.41 3.42 0.05 2.67 0.00 -1.26 -3.02 121.76 123.21 1bzf s ALA 6 Ca -0.05 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1bzf s ALA 6 Cb -0.03 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1bzf s ALA 6 CO 0.00 -1.49 -0.10 1.14 0.00 0.00 0.00 175.76 175.32 1bzf s GLN 7 N 2.55 0.63 0.45 0.00 -2.07 -1.07 -4.41 119.66 115.73 1bzf s GLN 7 Ca 0.20 -0.81 0.07 0.00 -1.82 0.00 0.00 55.36 52.99 1bzf s GLN 7 Cb -0.15 -0.48 0.02 0.00 -1.09 0.00 0.00 33.01 31.31 1bzf s GLN 7 CO 0.16 0.10 0.61 0.16 -1.32 0.00 0.00 175.29 175.00 1bzf s ASP 8 N -1.60 5.57 0.48 12.60 1.47 -0.93 -3.53 116.67 130.73 1bzf s ASP 8 Ca -0.07 -0.35 0.32 0.00 1.18 0.00 0.00 52.55 53.63 1bzf s ASP 8 Cb -0.10 -0.68 1.72 0.00 -0.34 0.00 0.00 42.92 43.52 1bzf s ASP 8 CO 0.01 -0.85 1.99 0.08 0.68 0.00 0.00 175.17 177.08 1bzf h ARG 9 N 0.52 0.00 -0.36 2.11 0.11 -1.86 -1.33 114.38 113.56 1bzf h ARG 9 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1bzf h ARG 9 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1bzf h ARG 9 CO 0.46 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.28 1bzf n ASP 10 N -2.65 0.36 -2.86 0.08 8.00 -1.26 -4.80 116.55 113.42 1bzf n ASP 10 Ca -0.02 -1.68 -0.20 0.00 0.71 0.00 0.00 54.79 53.59 1bzf n ASP 10 Cb 0.07 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1bzf n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bzf n GLY 11 N 0.23 -0.39 3.70 0.44 0.00 -0.50 -5.00 105.19 103.67 1bzf n GLY 11 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1bzf n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bzf s LEU 12 N -6.18 3.29 0.00 0.99 2.96 -1.23 -3.40 118.68 115.11 1bzf s LEU 12 Ca 0.34 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1bzf s LEU 12 Cb -0.15 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1bzf s LEU 12 CO 0.42 -0.14 0.00 2.30 -1.32 0.00 0.00 176.35 177.61 1bzf n ILE 13 N -1.04 0.00 -3.51 6.68 -5.35 -1.21 -2.19 119.36 112.74 1bzf n ILE 13 Ca -0.05 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.42 1bzf n ILE 13 Cb 0.60 -0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 1bzf n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bzf n GLY 14 N 0.92 1.20 3.53 3.28 0.00 -1.26 -4.72 105.19 108.14 1bzf n GLY 14 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 1bzf n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bzf s LYS 15 N -2.02 0.36 -1.88 1.61 2.20 0.21 -3.88 119.74 116.34 1bzf s LYS 15 Ca 0.06 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1bzf s LYS 15 Cb -0.01 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1bzf s LYS 15 CO 0.02 -0.10 0.00 -0.25 -0.36 0.00 0.00 175.35 174.66 1bzf n ASP 16 N 4.38 -5.86 0.00 1.43 8.00 -1.26 -2.95 116.55 120.30 1bzf n ASP 16 Ca -0.14 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1bzf n ASP 16 Cb 0.55 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 1bzf n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bzf n GLY 17 N -0.90 2.23 0.62 0.44 0.00 -1.26 -4.97 105.19 101.35 1bzf n GLY 17 Ca -0.24 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 1bzf n GLY 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bzf n HIS 18 N 0.00 -3.61 -3.29 1.61 1.44 -1.15 -4.96 115.22 105.25 1bzf n HIS 18 Ca 0.00 -0.18 -0.27 0.00 -2.01 0.00 0.00 57.72 55.26 1bzf n HIS 18 Cb 0.00 -0.18 -0.02 0.00 0.12 0.00 0.00 29.99 29.91 1bzf n HIS 18 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1bzf s LEU 19 N 0.00 4.01 0.16 2.39 1.43 -1.26 -0.62 118.68 124.78 1bzf s LEU 19 Ca 0.12 0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1bzf s LEU 19 Cb -0.01 -3.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.59 1bzf s LEU 19 CO 0.09 -0.26 1.31 1.55 0.23 0.00 0.00 176.35 179.27 1bzf h PRO 20 N 1.25 0.00 0.00 1.29 0.13 -1.85 -3.44 132.00 129.38 1bzf h PRO 20 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1bzf h PRO 20 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bzf h PRO 20 CO 0.64 0.86 -0.05 -2.67 -0.23 0.00 0.00 178.00 176.55 1bzf n TRP 21 N -3.31 -1.78 -3.53 1.56 2.14 -1.26 -5.04 117.44 106.22 1bzf n TRP 21 Ca 0.00 -0.53 -0.29 0.00 2.07 0.00 0.00 57.50 58.75 1bzf n TRP 21 Cb 0.89 -0.11 -0.14 0.00 -0.81 0.00 0.00 31.31 31.14 1bzf n TRP 21 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1bzf s HIS 22 N -0.38 0.72 -0.72 -2.67 2.46 -1.26 -5.06 115.29 108.38 1bzf s HIS 22 Ca 0.09 -1.38 0.02 0.00 0.47 0.00 0.00 55.06 54.26 1bzf s HIS 22 Cb -0.01 -1.03 0.18 0.00 -0.13 0.00 0.00 32.58 31.59 1bzf s HIS 22 CO 0.06 -0.83 0.53 -1.17 -2.47 0.00 0.00 174.74 170.86 1bzf s LEU 23 N 1.48 5.02 0.37 8.88 2.96 -1.26 -4.94 118.68 131.20 1bzf s LEU 23 Ca 0.14 -3.54 0.18 0.00 -0.22 0.00 0.00 54.13 50.69 1bzf s LEU 23 Cb -0.20 -1.75 1.14 0.00 0.50 0.00 0.00 46.19 45.88 1bzf s LEU 23 CO -0.16 -0.18 1.69 -0.65 -1.32 0.00 0.00 176.35 175.72 1bzf h PRO 24 N 5.99 0.31 -0.74 0.98 0.10 -1.99 0.34 132.00 137.00 1bzf h PRO 24 Ca 0.09 -0.02 -0.04 0.00 0.10 0.00 0.00 66.00 66.13 1bzf h PRO 24 Cb 0.82 -0.07 -0.03 0.00 0.10 0.00 0.00 31.00 31.82 1bzf h PRO 24 CO 0.75 0.20 0.31 0.22 0.10 0.00 0.00 178.00 179.59 1bzf h ASP 25 N 0.32 1.01 0.54 -2.05 3.58 -2.00 -1.82 116.42 116.00 1bzf h ASP 25 Ca 0.71 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.92 1bzf h ASP 25 Cb 1.78 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 1bzf h ASP 25 CO -0.48 0.89 -0.39 -0.78 -2.88 0.00 0.00 179.24 175.60 1bzf h ASP 26 N 1.06 0.00 1.26 2.28 3.58 -0.76 -2.02 116.42 121.82 1bzf h ASP 26 Ca 0.25 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 1bzf h ASP 26 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1bzf h ASP 26 CO -0.02 0.39 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.39 1bzf h LEU 27 N 0.00 0.00 0.00 2.28 3.38 -0.83 -3.03 115.31 117.11 1bzf h LEU 27 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1bzf h LEU 27 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1bzf h LEU 27 CO 0.05 0.26 -1.39 0.45 0.09 0.00 0.00 178.44 177.91 1bzf h HIS 28 N 0.00 0.00 0.00 1.13 3.86 -0.87 -3.31 115.15 115.96 1bzf h HIS 28 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1bzf h HIS 28 Cb 0.97 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1bzf h HIS 28 CO 0.00 0.89 -0.39 -0.92 0.86 0.00 0.00 177.93 178.37 1bzf h TYR 29 N 0.00 0.00 -0.16 2.45 3.20 -1.31 -3.11 116.97 118.03 1bzf h TYR 29 Ca -0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1bzf h TYR 29 Cb 1.83 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.09 1bzf h TYR 29 CO 0.00 0.39 0.04 0.35 -1.64 0.00 0.00 178.16 177.30 1bzf h PHE 30 N 0.00 0.27 0.00 -3.82 3.57 -1.62 -1.64 116.94 113.70 1bzf h PHE 30 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1bzf h PHE 30 Cb 0.85 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1bzf h PHE 30 CO 0.00 0.38 0.00 -2.13 -2.23 0.00 0.00 178.31 174.33 1bzf n ARG 31 N -4.82 0.16 -0.05 1.11 0.63 -1.18 -2.13 116.66 110.38 1bzf n ARG 31 Ca -0.05 0.18 -0.14 0.00 -0.92 0.00 0.00 57.85 56.92 1bzf n ARG 31 Cb 0.15 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.42 1bzf n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bzf n ALA 32 N -1.26 1.32 -1.46 5.13 0.00 -0.65 -4.06 120.51 119.53 1bzf n ALA 32 Ca 0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 1bzf n ALA 32 Cb 0.08 -0.53 0.12 0.00 0.00 0.00 0.00 19.45 19.12 1bzf n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bzf n GLN 33 N -3.14 2.56 0.00 0.00 3.00 -0.90 -4.40 117.38 114.50 1bzf n GLN 33 Ca -0.30 -3.36 0.00 0.00 -0.01 0.00 0.00 57.00 53.34 1bzf n GLN 33 Cb 1.06 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1bzf n GLN 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1bzf n THR 34 N -0.98 0.00 -2.25 5.09 -2.24 -1.10 -4.95 114.28 107.85 1bzf n THR 34 Ca 0.53 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.89 1bzf n THR 34 Cb 1.03 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1bzf n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1bzf s VAL 35 N -1.33 3.55 -0.53 2.28 -7.23 -1.26 -2.85 120.40 113.03 1bzf s VAL 35 Ca 0.00 1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 61.25 1bzf s VAL 35 Cb 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1bzf s VAL 35 CO 0.00 0.08 0.31 0.61 -0.31 0.00 0.00 175.10 175.79 1bzf n GLY 36 N 3.43 0.32 3.52 2.32 0.00 -1.21 -5.03 105.19 108.54 1bzf n GLY 36 Ca 0.11 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1bzf n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bzf s LYS 37 N -5.18 1.38 -0.43 1.61 1.02 -1.13 -4.43 119.74 112.58 1bzf s LYS 37 Ca 0.15 -0.90 -0.20 0.00 0.02 0.00 0.00 55.97 55.05 1bzf s LYS 37 Cb -0.07 0.51 0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1bzf s LYS 37 CO 0.19 -0.58 0.62 0.42 -0.92 0.00 0.00 175.35 175.08 1bzf s ILE 38 N -3.88 4.86 -0.50 2.17 1.01 -0.36 -2.80 121.20 121.70 1bzf s ILE 38 Ca 0.10 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1bzf s ILE 38 Cb -0.01 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.31 1bzf s ILE 38 CO -0.02 -0.57 0.81 -0.32 0.00 0.00 0.00 174.94 174.84 1bzf s MET 39 N 2.74 3.32 -0.28 2.79 1.75 0.08 -2.84 119.30 126.86 1bzf s MET 39 Ca 0.21 -0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 54.18 1bzf s MET 39 Cb -0.14 -4.01 -0.03 0.00 2.84 0.00 0.00 34.83 33.48 1bzf s MET 39 CO 0.18 -1.27 0.43 0.08 -0.65 0.00 0.00 175.02 173.79 1bzf s VAL 40 N 3.40 5.13 0.20 10.11 1.01 -1.06 -1.70 120.40 137.48 1bzf s VAL 40 Ca 0.27 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1bzf s VAL 40 Cb -0.14 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1bzf s VAL 40 CO 0.19 0.10 -0.01 0.68 0.00 0.00 0.00 175.10 176.06 1bzf s VAL 41 N 2.17 0.88 0.00 2.92 -7.23 -0.66 -2.75 120.40 115.73 1bzf s VAL 41 Ca 0.17 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1bzf s VAL 41 Cb -0.16 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1bzf s VAL 41 CO 0.10 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1bzf n GLY 42 N -0.31 0.54 0.14 2.32 0.00 -0.50 -2.85 105.19 104.52 1bzf n GLY 42 Ca -0.06 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 1bzf n GLY 42 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bzf h ARG 43 N 0.00 0.45 -0.11 1.61 3.08 -1.92 -2.26 114.38 115.23 1bzf h ARG 43 Ca 0.00 -0.77 -0.12 0.00 0.07 0.00 0.00 59.98 59.15 1bzf h ARG 43 Cb 0.00 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1bzf h ARG 43 CO 0.00 1.37 -0.48 -0.09 -1.07 0.00 0.00 179.97 179.70 1bzf h ARG 44 N 0.12 0.28 0.00 0.04 9.65 -1.98 -2.87 114.38 119.62 1bzf h ARG 44 Ca -0.23 -0.15 -0.17 0.00 -1.10 0.00 0.00 59.98 58.33 1bzf h ARG 44 Cb 2.11 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.68 1bzf h ARG 44 CO 0.25 0.70 -0.81 1.15 2.80 0.00 0.00 179.97 184.05 1bzf h THR 45 N 0.23 1.44 -0.25 0.20 2.02 -1.92 -2.34 112.91 112.28 1bzf h THR 45 Ca 0.01 -2.94 -0.09 0.00 0.77 0.00 0.00 66.41 64.17 1bzf h THR 45 Cb 0.93 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.97 1bzf h THR 45 CO 0.08 0.80 -0.21 0.22 0.37 0.00 0.00 175.52 176.77 1bzf h TYR 46 N 0.00 0.49 0.00 3.16 3.20 -1.20 -2.78 116.97 119.85 1bzf h TYR 46 Ca -0.01 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 1bzf h TYR 46 Cb 1.59 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 1bzf h TYR 46 CO 0.00 0.64 -1.11 0.93 -1.64 0.00 0.00 178.16 176.98 1bzf h GLU 47 N 0.40 0.00 0.00 1.82 5.08 -1.52 -3.28 114.58 117.08 1bzf h GLU 47 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1bzf h GLU 47 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1bzf h GLU 47 CO 0.04 0.36 -0.05 0.66 -1.00 0.00 0.00 179.01 179.03 1bzf h SER 48 N 0.00 0.00 -4.01 1.42 4.64 -1.14 -3.43 113.55 111.03 1bzf h SER 48 Ca -0.10 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.72 1bzf h SER 48 Cb 1.51 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 63.79 1bzf h SER 48 CO 0.05 0.05 0.19 -0.36 -0.87 0.00 0.00 176.83 175.89 1bzf s PHE 49 N -4.25 1.76 -0.07 4.77 0.08 -1.17 -4.83 117.98 114.28 1bzf s PHE 49 Ca -0.04 1.56 -0.00 0.00 0.12 0.00 0.00 56.93 58.57 1bzf s PHE 49 Cb 0.13 -3.23 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1bzf s PHE 49 CO 0.53 -2.89 -0.00 -1.00 -0.10 0.00 0.00 175.22 171.75 1bzf h PRO 50 N -1.92 0.00 -4.53 0.24 0.13 -1.91 -3.45 132.00 120.56 1bzf h PRO 50 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 1bzf h PRO 50 Cb 1.28 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.04 1bzf h PRO 50 CO 0.46 0.00 -0.80 -1.59 -0.23 0.00 0.00 178.00 175.85 1bzf s LYS 51 N -1.37 1.88 0.21 0.86 -2.85 -1.26 -5.12 119.74 112.10 1bzf s LYS 51 Ca -0.00 -1.01 0.07 0.00 -1.00 0.00 0.00 55.97 54.03 1bzf s LYS 51 Cb 0.00 -2.59 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 1bzf s LYS 51 CO 0.00 -0.54 0.09 -0.98 0.10 0.00 0.00 175.35 174.03 1bzf s ARG 52 N 1.34 2.66 0.35 1.78 1.70 -1.26 -4.14 118.95 121.38 1bzf s ARG 52 Ca -0.05 -1.10 -0.23 0.00 -0.47 0.00 0.00 55.73 53.88 1bzf s ARG 52 Cb -0.18 -2.45 -0.10 0.00 -0.57 0.00 0.00 34.95 31.65 1bzf s ARG 52 CO -0.07 0.43 0.92 -1.25 -1.08 0.00 0.00 175.30 174.25 1bzf s PRO 53 N -3.40 4.41 -0.24 3.89 0.04 -1.26 -5.08 135.00 133.36 1bzf s PRO 53 Ca 0.31 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1bzf s PRO 53 Cb -0.08 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1bzf s PRO 53 CO 0.22 0.18 1.76 -0.51 0.04 0.00 0.00 177.00 178.70 1bzf s LEU 54 N -2.46 3.74 1.04 -3.56 1.43 -1.26 -4.99 118.68 112.63 1bzf s LEU 54 Ca 0.54 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 55.06 1bzf s LEU 54 Cb -0.15 -3.53 0.24 0.00 0.03 0.00 0.00 46.19 42.79 1bzf s LEU 54 CO 0.20 -1.48 1.32 -2.16 0.23 0.00 0.00 176.35 174.46 1bzf s PRO 55 N 5.18 -0.01 -1.78 1.29 0.05 -1.26 -4.26 135.00 134.20 1bzf s PRO 55 Ca 0.78 -0.48 0.00 0.00 0.05 0.00 0.00 61.00 61.36 1bzf s PRO 55 Cb -0.26 -1.78 0.00 0.00 0.05 0.00 0.00 34.50 32.51 1bzf s PRO 55 CO 0.32 -2.84 0.00 0.39 0.05 0.00 0.00 177.00 174.92 1bzf n GLU 56 N -4.05 -1.53 -2.57 4.56 1.02 -1.26 -4.88 120.64 111.92 1bzf n GLU 56 Ca 0.17 1.01 0.01 0.00 -0.02 0.00 0.00 57.16 58.33 1bzf n GLU 56 Cb 0.59 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 1bzf n GLU 56 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1bzf n ARG 57 N -2.79 0.05 -4.03 3.49 1.85 -1.26 -3.31 116.66 110.67 1bzf n ARG 57 Ca -0.23 -0.25 -0.34 0.00 -1.00 0.00 0.00 57.85 56.04 1bzf n ARG 57 Cb 0.67 0.42 -0.15 0.00 -1.05 0.00 0.00 32.46 32.35 1bzf n ARG 57 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bzf s THR 58 N -2.10 2.68 -0.46 8.89 2.01 -1.12 -5.01 115.64 120.53 1bzf s THR 58 Ca 0.10 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 1bzf s THR 58 Cb -0.00 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.37 1bzf s THR 58 CO -0.00 0.48 0.53 0.20 -0.69 0.00 0.00 174.62 175.14 1bzf s ASN 59 N 1.37 6.22 -0.27 3.53 0.02 -1.26 -0.74 114.94 123.80 1bzf s ASN 59 Ca 0.05 -0.80 -0.06 0.00 -1.02 0.00 0.00 52.86 51.03 1bzf s ASN 59 Cb -0.14 -2.26 -0.00 0.00 0.02 0.00 0.00 41.25 38.88 1bzf s ASN 59 CO -0.08 -0.73 0.04 -0.69 0.02 0.00 0.00 177.10 175.66 1bzf s VAL 60 N 2.35 3.84 -0.25 1.60 1.01 -0.69 -1.89 120.40 126.38 1bzf s VAL 60 Ca 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1bzf s VAL 60 Cb -0.18 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1bzf s VAL 60 CO 0.13 0.21 0.13 -0.69 0.00 0.00 0.00 175.10 174.88 1bzf s VAL 61 N 1.51 4.99 -0.40 2.92 1.01 -1.12 -1.65 120.40 127.66 1bzf s VAL 61 Ca 0.04 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1bzf s VAL 61 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1bzf s VAL 61 CO 0.01 0.33 0.32 -0.22 0.00 0.00 0.00 175.10 175.54 1bzf s LEU 62 N 1.35 4.96 -0.03 3.92 2.96 -1.13 -1.63 118.68 129.06 1bzf s LEU 62 Ca 0.06 -0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 53.16 1bzf s LEU 62 Cb -0.15 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.34 1bzf s LEU 62 CO 0.06 -0.44 0.13 0.28 -1.32 0.00 0.00 176.35 175.05 1bzf s THR 63 N 1.79 0.03 -0.42 3.68 -1.32 -1.15 -4.58 115.64 113.66 1bzf s THR 63 Ca 0.07 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.37 1bzf s THR 63 Cb -0.18 -0.25 0.57 0.00 -1.51 0.00 0.00 72.50 71.13 1bzf s THR 63 CO 0.11 -0.11 1.83 1.57 -2.21 0.00 0.00 174.62 175.81 1bzf n HIS 64 N 2.57 2.73 -4.88 9.09 -0.00 -1.26 -4.41 115.22 119.07 1bzf n HIS 64 Ca -0.15 -1.80 -0.26 0.00 0.46 0.00 0.00 57.72 55.97 1bzf n HIS 64 Cb 0.58 -0.91 -0.16 0.00 -0.12 0.00 0.00 29.99 29.38 1bzf n HIS 64 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1bzf s GLN 65 N -2.96 1.60 -0.33 1.57 0.74 -1.26 -5.02 119.66 114.01 1bzf s GLN 65 Ca 0.51 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 55.31 1bzf s GLN 65 Cb 0.43 -1.49 0.50 0.00 1.10 0.00 0.00 33.01 33.54 1bzf s GLN 65 CO 0.09 0.35 1.67 0.39 -0.55 0.00 0.00 175.29 177.24 1bzf n GLU 66 N 2.80 1.95 -0.07 1.67 1.02 -1.26 -4.14 120.64 122.62 1bzf n GLU 66 Ca -0.16 -2.22 -0.10 0.00 -0.02 0.00 0.00 57.16 54.66 1bzf n GLU 66 Cb 0.53 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 1bzf n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bzf n ASP 67 N -0.70 2.89 -4.75 1.62 9.92 -1.26 -4.98 116.55 119.30 1bzf n ASP 67 Ca 0.44 -0.07 -0.41 0.00 -0.53 0.00 0.00 54.79 54.22 1bzf n ASP 67 Cb 1.36 -0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 41.58 1bzf n ASP 67 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1bzf s TYR 68 N -2.28 3.47 -0.26 1.24 5.04 -1.26 -5.02 117.35 118.29 1bzf s TYR 68 Ca -0.19 1.53 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 1bzf s TYR 68 Cb 0.05 -3.38 0.10 0.00 0.35 0.00 0.00 41.96 39.07 1bzf s TYR 68 CO 0.32 -0.98 0.15 -0.65 -1.34 0.00 0.00 175.55 173.06 1bzf s GLN 69 N -0.72 0.18 -0.30 4.97 -1.52 -1.26 -5.05 119.66 115.96 1bzf s GLN 69 Ca 0.50 -0.32 -0.26 0.00 -1.95 0.00 0.00 55.36 53.33 1bzf s GLN 69 Cb -0.32 -1.23 0.01 0.00 -0.22 0.00 0.00 33.01 31.24 1bzf s GLN 69 CO 0.39 -0.92 0.91 0.00 -0.25 0.00 0.00 175.29 175.42 1bzf s ALA 70 N 2.17 3.54 0.11 6.09 0.00 -1.26 -5.02 121.76 127.39 1bzf s ALA 70 Ca 0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 1bzf s ALA 70 Cb -0.16 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1bzf s ALA 70 CO -0.29 -1.26 1.07 -0.65 0.00 0.00 0.00 175.76 174.64 1bzf s GLN 71 N 3.19 4.57 -0.57 0.00 -1.52 -1.26 -3.35 119.66 120.72 1bzf s GLN 71 Ca 0.38 1.62 -0.03 0.00 -1.95 0.00 0.00 55.36 55.38 1bzf s GLN 71 Cb -0.14 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1bzf s GLN 71 CO 0.12 0.01 0.35 0.41 -0.25 0.00 0.00 175.29 175.93 1bzf n GLY 72 N 2.50 0.29 3.44 3.09 0.00 -1.26 -4.66 105.19 108.58 1bzf n GLY 72 Ca 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1bzf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bzf s ALA 73 N -2.95 -1.37 -0.80 4.61 0.00 -1.21 -4.80 121.76 115.24 1bzf s ALA 73 Ca 0.17 1.38 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 1bzf s ALA 73 Cb -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1bzf s ALA 73 CO 0.21 -0.28 1.59 0.08 0.00 0.00 0.00 175.76 177.37 1bzf s VAL 74 N -0.14 3.62 -0.66 0.00 1.01 -0.79 -4.82 120.40 118.61 1bzf s VAL 74 Ca -0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1bzf s VAL 74 Cb -0.03 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1bzf s VAL 74 CO 0.03 -1.46 1.23 -0.69 0.00 0.00 0.00 175.10 174.21 1bzf s VAL 75 N 7.26 3.88 0.32 2.92 1.01 -1.26 -2.79 120.40 131.74 1bzf s VAL 75 Ca 0.52 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 1bzf s VAL 75 Cb -0.07 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1bzf s VAL 75 CO 0.08 -1.60 0.53 0.68 0.00 0.00 0.00 175.10 174.80 1bzf s VAL 76 N 5.32 5.10 -0.00 2.92 -7.23 -0.65 -4.95 120.40 120.92 1bzf s VAL 76 Ca 0.39 -0.38 0.25 0.00 -1.81 0.00 0.00 61.98 60.42 1bzf s VAL 76 Cb -0.08 -3.83 0.41 0.00 0.56 0.00 0.00 36.38 33.44 1bzf s VAL 76 CO 0.20 -0.49 1.16 1.41 -0.31 0.00 0.00 175.10 177.07 1bzf n HIS 77 N -1.55 0.00 -3.56 2.82 8.25 -1.26 -2.95 115.22 116.96 1bzf n HIS 77 Ca -0.04 -0.49 -0.15 0.00 -0.26 0.00 0.00 57.72 56.77 1bzf n HIS 77 Cb 0.56 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1bzf n HIS 77 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1bzf s ASP 78 N -1.98 -0.61 0.26 0.41 2.15 -1.26 -4.86 116.67 110.78 1bzf s ASP 78 Ca 0.33 0.82 0.01 0.00 0.43 0.00 0.00 52.55 54.13 1bzf s ASP 78 Cb 0.37 0.71 0.33 0.00 -0.30 0.00 0.00 42.92 44.02 1bzf s ASP 78 CO -0.16 -0.46 1.67 0.58 -0.17 0.00 0.00 175.17 176.64 1bzf h VAL 79 N 3.16 1.28 -0.07 1.11 2.07 -1.98 -2.66 116.25 119.16 1bzf h VAL 79 Ca -0.26 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 1bzf h VAL 79 Cb 1.15 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1bzf h VAL 79 CO 0.29 0.43 -0.41 0.00 0.02 0.00 0.00 177.57 177.90 1bzf h ALA 80 N 1.22 1.18 -0.36 1.67 0.00 -1.99 -2.72 119.26 118.26 1bzf h ALA 80 Ca 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1bzf h ALA 80 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bzf h ALA 80 CO 0.06 0.56 -0.20 0.00 0.00 0.00 0.00 179.25 179.67 1bzf h ALA 81 N 1.45 0.97 -0.45 0.00 0.00 -1.88 0.17 119.26 119.53 1bzf h ALA 81 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1bzf h ALA 81 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bzf h ALA 81 CO 0.06 0.60 -0.21 0.28 0.00 0.00 0.00 179.25 179.98 1bzf h VAL 82 N 0.60 1.27 -0.00 0.00 2.07 -1.31 -2.39 116.25 116.50 1bzf h VAL 82 Ca 0.09 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.07 1bzf h VAL 82 Cb 0.68 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1bzf h VAL 82 CO 0.05 0.47 -0.79 -0.26 0.02 0.00 0.00 177.57 177.06 1bzf h PHE 83 N 0.77 0.03 -0.44 1.57 0.04 -1.30 -3.00 116.94 114.60 1bzf h PHE 83 Ca 0.10 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1bzf h PHE 83 Cb 0.79 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1bzf h PHE 83 CO 0.06 0.80 -0.07 0.00 -0.60 0.00 0.00 178.31 178.49 1bzf h ALA 84 N 1.20 1.05 -0.33 2.45 0.00 -0.50 -0.97 119.26 122.16 1bzf h ALA 84 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1bzf h ALA 84 Cb 1.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bzf h ALA 84 CO 0.10 0.58 -0.29 -0.92 0.00 0.00 0.00 179.25 178.73 1bzf h TYR 85 N 0.70 0.92 0.00 0.00 3.20 -1.39 -2.87 116.97 117.53 1bzf h TYR 85 Ca 0.13 -0.27 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 1bzf h TYR 85 Cb 0.53 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1bzf h TYR 85 CO 0.03 1.04 -0.33 0.00 -1.64 0.00 0.00 178.16 177.25 1bzf h ALA 86 N 0.74 1.26 -0.32 1.82 0.00 -1.37 -2.74 119.26 118.65 1bzf h ALA 86 Ca 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1bzf h ALA 86 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bzf h ALA 86 CO 0.07 0.41 0.06 -0.22 0.00 0.00 0.00 179.25 179.57 1bzf h LYS 87 N 0.00 0.53 0.00 0.00 3.64 -0.96 -2.54 116.57 117.24 1bzf h LYS 87 Ca -0.00 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1bzf h LYS 87 Cb 0.66 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1bzf h LYS 87 CO 0.04 0.62 -0.26 1.96 -2.27 0.00 0.00 179.45 179.54 1bzf h GLN 88 N 0.36 0.00 -3.40 1.90 1.08 -1.34 -3.35 115.11 110.36 1bzf h GLN 88 Ca 0.10 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.65 1bzf h GLN 88 Cb 0.34 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.37 1bzf h GLN 88 CO 0.01 0.26 -0.59 -1.01 -0.95 0.00 0.00 178.83 176.56 1bzf s HIS 89 N -4.07 3.22 -0.26 2.96 3.76 -0.96 -4.90 115.29 115.04 1bzf s HIS 89 Ca -0.02 -3.11 0.18 0.00 -0.15 0.00 0.00 55.06 51.96 1bzf s HIS 89 Cb 0.13 -2.88 0.17 0.00 1.11 0.00 0.00 32.58 31.12 1bzf s HIS 89 CO 0.66 -0.75 1.51 -1.00 -0.85 0.00 0.00 174.74 174.31 1bzf h PRO 90 N 6.55 0.00 0.00 8.40 0.13 -1.69 -3.23 132.00 142.15 1bzf h PRO 90 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1bzf h PRO 90 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1bzf h PRO 90 CO 0.69 0.31 -0.26 0.38 -0.23 0.00 0.00 178.00 178.90 1bzf h ASP 91 N 0.00 0.00 -2.08 1.44 2.03 -1.90 -3.43 116.42 112.47 1bzf h ASP 91 Ca -0.00 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.82 1bzf h ASP 91 Cb 1.24 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 39.83 1bzf h ASP 91 CO 0.04 0.26 0.15 -1.10 -1.03 0.00 0.00 179.24 177.56 1bzf s GLN 92 N -4.04 1.39 0.03 4.15 -0.21 -1.22 -4.99 119.66 114.77 1bzf s GLN 92 Ca -0.02 -1.20 0.01 0.00 0.02 0.00 0.00 55.36 54.17 1bzf s GLN 92 Cb 0.13 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 1bzf s GLN 92 CO 0.66 -1.68 -0.05 -1.21 -2.12 0.00 0.00 175.29 170.89 1bzf s GLU 93 N -5.26 0.42 -0.18 2.91 2.02 -1.26 -4.95 118.70 112.40 1bzf s GLU 93 Ca 0.69 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.81 1bzf s GLU 93 Cb -0.04 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1bzf s GLU 93 CO 0.46 -0.01 0.42 -1.17 0.02 0.00 0.00 175.26 174.98 1bzf s LEU 94 N -1.60 4.18 -0.06 1.80 2.96 -1.26 -1.22 118.68 123.48 1bzf s LEU 94 Ca -0.12 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1bzf s LEU 94 Cb -0.09 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.06 1bzf s LEU 94 CO -0.01 -0.06 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.21 1bzf s VAL 95 N 1.16 0.66 -0.15 1.68 1.01 -1.13 -2.35 120.40 121.27 1bzf s VAL 95 Ca 0.21 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1bzf s VAL 95 Cb -0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1bzf s VAL 95 CO 0.08 0.26 0.51 -0.63 0.00 0.00 0.00 175.10 175.32 1bzf s ILE 96 N 1.08 5.15 -0.04 2.22 -1.09 -0.11 -2.57 121.20 125.84 1bzf s ILE 96 Ca -0.08 0.99 0.08 0.00 -2.23 0.00 0.00 60.65 59.41 1bzf s ILE 96 Cb -0.14 -3.84 -0.12 0.00 -1.58 0.00 0.00 42.46 36.77 1bzf s ILE 96 CO -0.01 0.26 0.13 0.00 -1.23 0.00 0.00 174.94 174.09 1bzf n ALA 97 N 4.14 2.13 0.00 9.38 0.00 -1.11 -1.98 120.51 133.06 1bzf n ALA 97 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1bzf n ALA 97 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1bzf n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bzf n GLY 98 N 2.18 -2.60 0.00 0.00 0.00 -1.26 -4.78 105.19 98.74 1bzf n GLY 98 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bzf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzf n GLY 99 N -0.78 0.41 0.24 -0.02 0.00 -1.26 -1.41 105.19 102.37 1bzf n GLY 99 Ca 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1bzf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bzf h ALA 100 N -1.87 1.13 0.00 4.61 0.00 -1.93 -2.39 119.26 118.81 1bzf h ALA 100 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1bzf h ALA 100 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bzf h ALA 100 CO 0.00 0.55 -0.47 1.96 0.00 0.00 0.00 179.25 181.28 1bzf h GLN 101 N 0.43 0.00 -0.07 0.00 4.20 -2.00 -3.04 115.11 114.63 1bzf h GLN 101 Ca 0.07 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.58 1bzf h GLN 101 Cb 0.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1bzf h GLN 101 CO 0.05 0.47 -0.77 0.82 -0.67 0.00 0.00 178.83 178.73 1bzf h ILE 102 N 0.00 1.38 0.32 2.54 1.08 -1.70 -2.57 117.51 118.55 1bzf h ILE 102 Ca -0.00 -2.19 -0.02 0.00 -0.39 0.00 0.00 64.86 62.26 1bzf h ILE 102 Cb 1.02 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 1bzf h ILE 102 CO 0.06 0.66 -0.15 -0.26 -0.69 0.00 0.00 178.15 177.77 1bzf h PHE 103 N 0.28 -0.39 0.00 1.37 0.04 -1.34 -2.27 116.94 114.63 1bzf h PHE 103 Ca -0.04 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1bzf h PHE 103 Cb 1.36 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.64 1bzf h PHE 103 CO 0.05 -0.14 -0.03 1.15 -0.60 0.00 0.00 178.31 178.74 1bzf h THR 104 N -0.59 0.22 -0.03 -1.55 2.02 -1.60 0.90 112.91 112.28 1bzf h THR 104 Ca -0.04 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 1bzf h THR 104 Cb 0.43 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1bzf h THR 104 CO 0.07 0.03 -0.54 0.00 0.37 0.00 0.00 175.52 175.45 1bzf h ALA 105 N 1.97 1.05 -0.12 6.16 0.00 -0.99 -3.12 119.26 124.21 1bzf h ALA 105 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bzf h ALA 105 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bzf h ALA 105 CO 0.00 0.68 0.00 1.19 0.00 0.00 0.00 179.25 181.13 1bzf n PHE 106 N -3.90 0.35 0.26 0.00 3.72 -0.51 -4.62 117.46 112.76 1bzf n PHE 106 Ca -0.02 -0.81 0.14 0.00 -0.05 0.00 0.00 57.45 56.72 1bzf n PHE 106 Cb 0.56 -0.17 0.67 0.00 -0.94 0.00 0.00 39.48 39.60 1bzf n PHE 106 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bzf h LYS 107 N 0.81 0.00 -0.16 -1.08 5.09 -0.81 -2.91 116.57 117.52 1bzf h LYS 107 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1bzf h LYS 107 Cb 1.01 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.34 1bzf h LYS 107 CO 0.07 0.11 -0.19 0.22 -2.09 0.00 0.00 179.45 177.57 1bzf h ASP 108 N 0.00 0.45 -0.88 7.07 3.58 -1.82 -3.13 116.42 121.70 1bzf h ASP 108 Ca -0.00 -0.50 -0.58 0.00 0.42 0.00 0.00 57.03 56.37 1bzf h ASP 108 Cb 0.49 -0.13 -0.25 0.00 1.72 0.00 0.00 39.33 41.16 1bzf h ASP 108 CO 0.01 0.86 0.75 0.47 -2.88 0.00 0.00 179.24 178.46 1bzf n ASP 109 N -4.48 7.36 -4.83 2.28 8.00 -1.11 -4.96 116.55 118.81 1bzf n ASP 109 Ca -0.06 -3.59 -0.36 0.00 0.71 0.00 0.00 54.79 51.49 1bzf n ASP 109 Cb 0.40 -1.01 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 1bzf n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bzf s VAL 110 N -4.12 4.79 0.08 2.53 0.11 -1.15 -3.71 120.40 118.94 1bzf s VAL 110 Ca 0.55 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 1bzf s VAL 110 Cb 0.43 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1bzf s VAL 110 CO -0.02 0.30 0.00 0.47 -3.33 0.00 0.00 175.10 172.52 1bzf n ASP 111 N 0.96 0.25 -4.94 3.54 8.00 -1.18 -4.88 116.55 118.30 1bzf n ASP 111 Ca -0.06 0.13 -0.25 0.00 0.71 0.00 0.00 54.79 55.33 1bzf n ASP 111 Cb 0.51 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1bzf n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bzf s THR 112 N -1.44 3.84 -0.36 -3.53 2.01 -1.17 -2.25 115.64 112.75 1bzf s THR 112 Ca 0.00 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1bzf s THR 112 Cb 0.00 -3.47 0.15 0.00 0.01 0.00 0.00 72.50 69.19 1bzf s THR 112 CO 0.00 -0.40 0.29 -0.76 -0.69 0.00 0.00 174.62 173.05 1bzf s LEU 113 N -4.77 0.43 -0.55 4.42 1.43 -1.09 -3.00 118.68 115.56 1bzf s LEU 113 Ca 0.51 -1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 1bzf s LEU 113 Cb -0.10 0.09 0.06 0.00 0.03 0.00 0.00 46.19 46.27 1bzf s LEU 113 CO 0.41 -0.29 0.77 -0.76 0.23 0.00 0.00 176.35 176.71 1bzf s LEU 114 N 1.31 4.69 -0.06 1.79 1.43 -1.05 -3.03 118.68 123.77 1bzf s LEU 114 Ca 0.17 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1bzf s LEU 114 Cb -0.19 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1bzf s LEU 114 CO -0.03 -1.08 -0.17 0.54 0.23 0.00 0.00 176.35 175.84 1bzf s VAL 115 N 3.20 2.83 -0.43 -1.59 0.11 -1.13 -2.83 120.40 120.56 1bzf s VAL 115 Ca 0.20 -0.80 -0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1bzf s VAL 115 Cb -0.18 -2.10 0.10 0.00 -1.53 0.00 0.00 36.38 32.67 1bzf s VAL 115 CO 0.13 0.58 0.28 -0.89 -3.33 0.00 0.00 175.10 171.86 1bzf s THR 116 N -0.49 4.07 0.01 5.04 2.01 -1.17 -2.42 115.64 122.69 1bzf s THR 116 Ca 0.06 -1.62 -0.21 0.00 0.31 0.00 0.00 61.69 60.23 1bzf s THR 116 Cb -0.12 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1bzf s THR 116 CO 0.01 -0.61 0.62 -0.13 -0.69 0.00 0.00 174.62 173.82 1bzf s ARG 117 N 1.36 4.34 -0.06 4.92 1.81 -1.14 -2.59 118.95 127.59 1bzf s ARG 117 Ca 0.04 0.79 0.00 0.00 -1.72 0.00 0.00 55.73 54.84 1bzf s ARG 117 Cb -0.24 -3.34 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 1bzf s ARG 117 CO 0.00 0.37 -0.04 -0.51 -0.68 0.00 0.00 175.30 174.45 1bzf s LEU 118 N -0.23 3.35 0.24 2.53 1.02 -1.23 -1.87 118.68 122.49 1bzf s LEU 118 Ca 0.32 0.03 0.10 0.00 0.02 0.00 0.00 54.13 54.60 1bzf s LEU 118 Cb -0.19 -1.77 0.22 0.00 0.02 0.00 0.00 46.19 44.47 1bzf s LEU 118 CO 0.18 0.36 1.53 0.00 0.02 0.00 0.00 176.35 178.43 1bzf h ALA 119 N 5.09 0.80 -2.35 4.21 0.00 0.47 -3.28 119.26 124.21 1bzf h ALA 119 Ca -0.49 -0.64 -0.55 0.00 0.00 0.00 0.00 54.91 53.23 1bzf h ALA 119 Cb 1.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1bzf h ALA 119 CO 0.53 0.88 0.68 0.20 0.00 0.00 0.00 179.25 181.55 1bzf s GLY 120 N -4.52 2.15 0.36 0.00 0.00 0.14 -4.87 107.32 100.58 1bzf s GLY 120 Ca -0.00 0.68 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 1bzf s GLY 120 CO 0.77 2.20 1.13 -1.35 0.00 0.00 0.00 173.10 175.85 1bzf s SER 121 N 1.44 6.80 -0.15 1.64 1.04 -1.26 -4.77 113.70 118.43 1bzf s SER 121 Ca 0.57 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 59.20 1bzf s SER 121 Cb -0.26 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.32 1bzf s SER 121 CO 0.24 -0.48 0.33 -0.36 0.98 0.00 0.00 173.24 173.94 1bzf s PHE 122 N -1.39 -0.56 0.11 5.02 0.08 -1.26 -5.08 117.98 114.90 1bzf s PHE 122 Ca 0.53 1.17 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 1bzf s PHE 122 Cb -0.29 0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.21 1bzf s PHE 122 CO 0.37 -0.39 0.33 -2.00 -0.10 0.00 0.00 175.22 173.44 1bzf s GLU 123 N 2.32 3.59 0.00 0.44 2.12 -1.26 -4.75 118.70 121.15 1bzf s GLU 123 Ca -0.01 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1bzf s GLU 123 Cb -0.12 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1bzf s GLU 123 CO -0.10 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 1bzf n GLY 124 N 0.26 3.51 0.00 -1.50 0.00 -1.26 -4.94 105.19 101.26 1bzf n GLY 124 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1bzf n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bzf n ASP 125 N 0.00 0.00 -4.87 1.61 9.92 -1.25 -5.05 116.55 116.91 1bzf n ASP 125 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 1bzf n ASP 125 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1bzf n ASP 125 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bzf s THR 126 N -1.00 5.08 0.41 -3.53 2.01 -1.25 -5.10 115.64 112.26 1bzf s THR 126 Ca 0.00 0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1bzf s THR 126 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1bzf s THR 126 CO 0.00 0.22 0.06 -0.54 -0.69 0.00 0.00 174.62 173.67 1bzf s LYS 127 N -2.10 1.91 0.14 4.92 1.02 -1.26 -3.36 119.74 121.01 1bzf s LYS 127 Ca 0.36 -2.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.20 1bzf s LYS 127 Cb -0.13 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 1bzf s LYS 127 CO 0.19 -0.29 0.33 1.41 -0.92 0.00 0.00 175.35 176.07 1bzf s MET 128 N -3.80 3.52 0.78 1.68 -2.45 -1.22 -4.76 119.30 113.05 1bzf s MET 128 Ca 0.25 -0.32 -0.11 0.00 -1.25 0.00 0.00 55.69 54.26 1bzf s MET 128 Cb 0.05 -2.90 0.06 0.00 1.25 0.00 0.00 34.83 33.29 1bzf s MET 128 CO 0.13 0.48 1.09 0.96 1.05 0.00 0.00 175.02 178.73 1bzf s ILE 129 N -1.71 3.21 -0.90 10.11 -4.36 -1.26 -4.96 121.20 121.34 1bzf s ILE 129 Ca 0.38 0.39 -0.25 0.00 -0.26 0.00 0.00 60.65 60.92 1bzf s ILE 129 Cb -0.12 -3.12 0.04 0.00 1.25 0.00 0.00 42.46 40.51 1bzf s ILE 129 CO 0.27 -0.51 1.37 -2.16 0.24 0.00 0.00 174.94 174.15 1bzf s PRO 130 N -5.12 3.42 0.52 0.37 0.04 -1.26 -5.02 135.00 127.95 1bzf s PRO 130 Ca 0.60 -0.76 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 1bzf s PRO 130 Cb -0.15 -4.86 -0.08 0.00 0.04 0.00 0.00 34.50 29.45 1bzf s PRO 130 CO 0.54 -2.18 0.99 -0.51 0.04 0.00 0.00 177.00 175.89 1bzf s LEU 131 N 5.26 3.63 -1.06 -3.56 1.43 -1.26 -4.97 118.68 118.15 1bzf s LEU 131 Ca 0.41 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 54.93 1bzf s LEU 131 Cb -0.03 -4.51 0.12 0.00 0.03 0.00 0.00 46.19 41.80 1bzf s LEU 131 CO 0.00 -0.62 1.33 0.21 0.23 0.00 0.00 176.35 177.50 1bzf s ASN 132 N -3.01 6.76 0.46 2.29 2.47 -1.26 -4.79 114.94 117.86 1bzf s ASN 132 Ca 0.59 -2.28 0.30 0.00 0.42 0.00 0.00 52.86 51.90 1bzf s ASN 132 Cb -0.10 -2.44 1.16 0.00 -1.45 0.00 0.00 41.25 38.41 1bzf s ASN 132 CO 0.31 -1.05 1.88 -0.50 -3.72 0.00 0.00 177.10 174.02 1bzf h TRP 133 N 8.35 0.00 0.00 0.43 4.06 -1.98 -2.76 115.95 124.05 1bzf h TRP 133 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1bzf h TRP 133 Cb 0.96 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1bzf h TRP 133 CO 1.19 0.00 0.00 -3.47 -3.56 0.00 0.00 178.44 172.60 1bzf n ASP 134 N -2.85 0.01 -1.14 -3.49 2.03 -1.26 -2.70 116.55 107.14 1bzf n ASP 134 Ca 0.01 -1.41 0.05 0.00 0.52 0.00 0.00 54.79 53.96 1bzf n ASP 134 Cb 0.31 -0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.80 1bzf n ASP 134 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1bzf n ASP 135 N -0.49 1.24 -3.37 1.67 2.03 -1.04 -5.08 116.55 111.51 1bzf n ASP 135 Ca 0.00 -2.69 -0.21 0.00 0.52 0.00 0.00 54.79 52.42 1bzf n ASP 135 Cb 0.00 -0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 1bzf n ASP 135 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1bzf n PHE 136 N -0.11 -0.71 -3.69 -0.67 3.72 -1.10 -4.59 117.46 110.31 1bzf n PHE 136 Ca 0.11 -2.87 -0.12 0.00 -0.05 0.00 0.00 57.45 54.52 1bzf n PHE 136 Cb 0.97 0.27 -0.12 0.00 -0.94 0.00 0.00 39.48 39.66 1bzf n PHE 136 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1bzf s THR 137 N -3.36 -0.24 -0.07 4.37 2.01 -0.97 -4.87 115.64 112.50 1bzf s THR 137 Ca 0.39 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1bzf s THR 137 Cb 0.02 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1bzf s THR 137 CO 0.27 0.07 1.07 -0.75 -0.69 0.00 0.00 174.62 174.60 1bzf s LYS 138 N 1.84 4.43 -0.22 4.92 2.20 -1.26 -1.19 119.74 130.46 1bzf s LYS 138 Ca -0.05 1.49 0.09 0.00 -0.36 0.00 0.00 55.97 57.14 1bzf s LYS 138 Cb -0.11 -3.52 -0.21 0.00 -1.51 0.00 0.00 37.83 32.48 1bzf s LYS 138 CO -0.10 -0.31 -0.04 1.33 -0.36 0.00 0.00 175.35 175.88 1bzf n VAL 139 N 4.43 1.47 -3.67 4.02 0.24 -1.15 -4.97 118.33 118.69 1bzf n VAL 139 Ca 0.09 -0.70 -0.06 0.00 -2.04 0.00 0.00 64.34 61.63 1bzf n VAL 139 Cb 0.48 -1.02 0.02 0.00 -1.47 0.00 0.00 33.84 31.85 1bzf n VAL 139 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1bzf n SER 140 N -3.05 -1.69 -3.64 -1.34 2.88 -1.25 -5.10 113.62 100.43 1bzf n SER 140 Ca -0.39 -2.11 -0.07 0.00 -1.33 0.00 0.00 58.87 54.98 1bzf n SER 140 Cb 1.07 2.81 -0.07 0.00 -0.75 0.00 0.00 64.21 67.26 1bzf n SER 140 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bzf s SER 141 N -2.71 -0.72 -0.57 -3.46 1.04 -1.26 -2.63 113.70 103.38 1bzf s SER 141 Ca 0.14 1.21 -0.18 0.00 0.48 0.00 0.00 55.95 57.60 1bzf s SER 141 Cb -0.03 1.28 0.10 0.00 0.10 0.00 0.00 66.02 67.47 1bzf s SER 141 CO 0.08 -0.20 0.65 -0.60 0.98 0.00 0.00 173.24 174.16 1bzf s ARG 142 N 1.21 3.04 0.36 4.02 3.52 -0.76 -4.90 118.95 125.43 1bzf s ARG 142 Ca -0.07 -1.34 -0.19 0.00 -0.13 0.00 0.00 55.73 54.00 1bzf s ARG 142 Cb -0.05 -4.25 -0.10 0.00 -1.56 0.00 0.00 34.95 28.99 1bzf s ARG 142 CO -0.14 -1.46 0.85 0.99 -0.81 0.00 0.00 175.30 174.73 1bzf s THR 143 N 2.47 4.49 -0.21 4.11 2.01 -1.26 -1.38 115.64 125.87 1bzf s THR 143 Ca 0.10 1.31 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 1bzf s THR 143 Cb -0.25 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.65 1bzf s THR 143 CO 0.06 -0.16 0.51 0.54 -0.69 0.00 0.00 174.62 174.88 1bzf s VAL 144 N -1.98 -0.01 -0.24 3.82 0.11 -1.11 -4.97 120.40 116.02 1bzf s VAL 144 Ca 0.56 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.60 1bzf s VAL 144 Cb -0.11 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1bzf s VAL 144 CO 0.17 0.02 0.03 -1.61 -3.33 0.00 0.00 175.10 170.37 1bzf s GLU 145 N 1.29 3.55 0.00 1.54 2.02 -1.26 -3.06 118.70 122.78 1bzf s GLU 145 Ca -0.08 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1bzf s GLU 145 Cb -0.07 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1bzf s GLU 145 CO -0.13 -0.18 0.00 -3.47 0.02 0.00 0.00 175.26 171.50 1bzf n ASP 146 N 4.85 0.00 -0.03 -0.19 2.03 -1.25 -4.98 116.55 116.98 1bzf n ASP 146 Ca -0.17 -0.53 -0.16 0.00 0.52 0.00 0.00 54.79 54.45 1bzf n ASP 146 Cb 0.51 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 1bzf n ASP 146 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bzf h THR 147 N -0.53 1.35 -2.77 5.18 1.35 -1.99 -3.44 112.91 112.06 1bzf h THR 147 Ca 0.00 -1.80 -0.66 0.00 -0.55 0.00 0.00 66.41 63.40 1bzf h THR 147 Cb 0.00 2.10 -0.08 0.00 -1.73 0.00 0.00 68.15 68.44 1bzf h THR 147 CO 0.00 0.55 -0.48 0.21 -0.25 0.00 0.00 175.52 175.55 1bzf s ASN 148 N -6.72 6.35 0.24 5.36 3.84 -1.26 -5.00 114.94 117.75 1bzf s ASN 148 Ca -0.12 0.42 -0.08 0.00 0.21 0.00 0.00 52.86 53.29 1bzf s ASN 148 Cb 0.06 -2.07 0.40 0.00 -0.55 0.00 0.00 41.25 39.09 1bzf s ASN 148 CO 0.84 0.36 1.65 -0.65 -2.79 0.00 0.00 177.10 176.51 1bzf h PRO 149 N 5.32 0.12 -0.00 0.43 0.10 -2.00 0.37 132.00 136.35 1bzf h PRO 149 Ca -0.52 -0.01 -0.02 0.00 0.10 0.00 0.00 66.00 65.55 1bzf h PRO 149 Cb 1.21 -0.03 -0.00 0.00 0.10 0.00 0.00 31.00 32.28 1bzf h PRO 149 CO 0.62 0.08 -0.11 0.00 0.10 0.00 0.00 178.00 178.68 1bzf h ALA 150 N 1.66 1.81 0.00 -0.75 0.00 -1.94 -0.91 119.26 119.14 1bzf h ALA 150 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bzf h ALA 150 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bzf h ALA 150 CO -0.62 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.05 1bzf n LEU 151 N -4.41 0.71 -4.84 0.00 4.77 0.13 -0.68 117.00 112.68 1bzf n LEU 151 Ca -0.03 -0.36 -0.36 0.00 -0.03 0.00 0.00 56.01 55.24 1bzf n LEU 151 Cb 0.18 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1bzf n LEU 151 CO 0.35 0.18 0.22 -0.89 -1.33 0.00 0.00 177.39 175.93 1bzf s THR 152 N -1.24 4.87 0.28 -5.08 2.01 -0.35 -3.74 115.64 112.39 1bzf s THR 152 Ca 0.00 0.84 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 1bzf s THR 152 Cb 0.00 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1bzf s THR 152 CO 0.00 0.28 0.71 -1.38 -0.69 0.00 0.00 174.62 173.55 1bzf s HIS 153 N -1.42 -0.16 -0.01 4.92 -3.43 -1.17 0.96 115.29 114.98 1bzf s HIS 153 Ca 0.36 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 1bzf s HIS 153 Cb -0.15 0.69 0.01 0.00 -1.43 0.00 0.00 32.58 31.70 1bzf s HIS 153 CO 0.19 -1.24 0.01 0.99 -2.00 0.00 0.00 174.74 172.69 1bzf s THR 154 N -3.90 -0.02 -0.85 -5.38 2.01 -0.78 -2.74 115.64 103.98 1bzf s THR 154 Ca 0.12 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1bzf s THR 154 Cb -0.06 -0.05 0.13 0.00 0.01 0.00 0.00 72.50 72.54 1bzf s THR 154 CO 0.07 0.04 1.02 -0.31 -0.69 0.00 0.00 174.62 174.75 1bzf s TYR 155 N 0.47 3.15 -0.01 4.92 1.51 -0.48 -2.87 117.35 124.04 1bzf s TYR 155 Ca -0.04 -1.35 -0.30 0.00 -1.01 0.00 0.00 57.07 54.37 1bzf s TYR 155 Cb -0.06 -4.19 -0.04 0.00 -0.11 0.00 0.00 41.96 37.56 1bzf s TYR 155 CO -0.01 -1.42 1.10 -1.21 -1.11 0.00 0.00 175.55 172.90 1bzf s GLU 156 N 2.48 4.45 -0.40 -0.62 2.02 -1.01 -1.83 118.70 123.78 1bzf s GLU 156 Ca 0.27 1.59 -0.01 0.00 0.02 0.00 0.00 54.97 56.84 1bzf s GLU 156 Cb -0.09 -3.45 0.11 0.00 0.10 0.00 0.00 34.13 30.80 1bzf s GLU 156 CO -0.06 -0.24 0.18 0.08 0.02 0.00 0.00 175.26 175.24 1bzf s VAL 157 N 1.42 3.06 0.41 2.63 1.01 -1.08 -2.84 120.40 125.02 1bzf s VAL 157 Ca 0.55 -2.18 0.02 0.00 0.00 0.00 0.00 61.98 60.37 1bzf s VAL 157 Cb -0.24 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1bzf s VAL 157 CO 0.26 -0.68 0.61 0.26 0.00 0.00 0.00 175.10 175.55 1bzf s TRP 158 N 1.02 3.21 -0.12 5.22 0.52 -1.17 -2.95 118.94 124.68 1bzf s TRP 158 Ca 0.09 0.12 -0.09 0.00 0.02 0.00 0.00 56.10 56.24 1bzf s TRP 158 Cb -0.22 -2.20 0.04 0.00 -1.15 0.00 0.00 33.47 29.94 1bzf s TRP 158 CO -0.05 -0.24 0.31 -0.65 0.02 0.00 0.00 176.95 176.35 1bzf s GLN 159 N -4.44 0.33 0.08 4.98 -0.21 -0.33 -2.68 119.66 117.39 1bzf s GLN 159 Ca 0.47 0.51 -0.31 0.00 0.02 0.00 0.00 55.36 56.05 1bzf s GLN 159 Cb -0.10 0.08 -0.08 0.00 1.00 0.00 0.00 33.01 33.91 1bzf s GLN 159 CO 0.36 -0.09 1.59 0.21 -2.12 0.00 0.00 175.29 175.24 1bzf s LYS 160 N 0.61 4.22 -0.30 2.91 2.20 -0.95 -2.30 119.74 126.13 1bzf s LYS 160 Ca -0.04 2.28 0.01 0.00 -0.36 0.00 0.00 55.97 57.87 1bzf s LYS 160 Cb -0.05 -3.49 0.15 0.00 -1.51 0.00 0.00 37.83 32.93 1bzf s LYS 160 CO -0.04 -0.67 0.36 0.21 -0.36 0.00 0.00 175.35 174.85 1bzf s LYS 161 N 2.24 0.40 0.00 4.03 2.36 -1.26 -4.96 119.74 122.54 1bzf s LYS 161 Ca 0.71 -0.06 0.30 0.00 -2.55 0.00 0.00 55.97 54.38 1bzf s LYS 161 Cb -0.39 -0.47 1.47 0.00 -1.05 0.00 0.00 37.83 37.39 1bzf s LYS 161 CO 0.31 -1.05 1.98 0.00 1.55 0.00 0.00 175.35 178.15