#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhb s THR 2 N 0.00 2.22 0.27 2.03 -4.23 -1.26 -3.33 115.64 111.33 3dhb s THR 2 Ca 0.00 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.12 3dhb s THR 2 Cb 0.00 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 3dhb s THR 2 CO 0.00 -0.25 1.21 -0.69 -0.54 0.00 0.00 174.62 174.35 3dhb s VAL 3 N -2.00 3.22 0.04 2.29 1.01 0.30 -4.71 120.40 120.54 3dhb s VAL 3 Ca 0.22 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 3dhb s VAL 3 Cb -0.06 -3.74 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 3dhb s VAL 3 CO 0.10 0.25 1.30 0.11 0.00 0.00 0.00 175.10 176.86 3dhb h LYS 4 N 4.09 0.43 -3.12 2.72 1.57 -1.23 0.15 116.57 121.17 3dhb h LYS 4 Ca -0.47 -0.27 -0.17 0.00 -1.87 0.00 0.00 60.65 57.87 3dhb h LYS 4 Cb 1.22 0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.29 3dhb h LYS 4 CO 0.69 0.87 -0.44 0.15 -0.57 0.00 0.00 179.45 180.14 3dhb s LYS 5 N -4.05 0.27 -0.23 3.15 1.02 -1.13 -4.46 119.74 114.30 3dhb s LYS 5 Ca -0.14 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.23 3dhb s LYS 5 Cb 0.05 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.49 3dhb s LYS 5 CO 0.78 -0.06 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.87 3dhb s LEU 6 N 0.35 3.00 -0.14 3.17 2.96 -0.65 -0.94 118.68 126.43 3dhb s LEU 6 Ca -0.02 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.87 3dhb s LEU 6 Cb -0.03 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3dhb s LEU 6 CO -0.01 -0.11 0.07 -0.31 -1.32 0.00 0.00 176.35 174.67 3dhb s TYR 7 N 1.25 3.34 -0.24 5.38 1.51 0.25 -1.10 117.35 127.74 3dhb s TYR 7 Ca -0.01 0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 56.15 3dhb s TYR 7 Cb -0.17 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 3dhb s TYR 7 CO -0.07 0.42 0.41 -0.06 -1.11 0.00 0.00 175.55 175.14 3dhb s PHE 8 N -0.38 3.30 -0.24 2.71 0.40 -1.26 -1.24 117.98 121.27 3dhb s PHE 8 Ca 0.10 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.97 3dhb s PHE 8 Cb -0.12 -2.58 0.06 0.00 0.51 0.00 0.00 43.02 40.89 3dhb s PHE 8 CO 0.02 -0.16 -0.09 0.42 0.70 0.00 0.00 175.22 176.11 3dhb s ILE 9 N 1.83 1.82 0.29 0.64 1.01 -0.02 -1.20 121.20 125.58 3dhb s ILE 9 Ca 0.17 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 3dhb s ILE 9 Cb -0.15 -1.98 -0.12 0.00 0.01 0.00 0.00 42.46 40.22 3dhb s ILE 9 CO 0.09 -0.01 1.59 -2.65 0.00 0.00 0.00 174.94 173.97 3dhb n PRO 10 N 4.57 2.68 -2.55 2.79 -0.02 -1.26 -1.54 135.00 139.68 3dhb n PRO 10 Ca -0.14 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3dhb n PRO 10 Cb 0.44 -2.74 0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3dhb n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dhb n ALA 11 N 2.16 3.83 0.00 3.55 0.00 -0.03 -4.87 120.51 125.15 3dhb n ALA 11 Ca 0.09 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.13 3dhb n ALA 11 Cb 0.36 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3dhb n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhb n GLY 12 N -0.44 -2.10 3.26 0.00 0.00 -1.26 -4.61 105.19 100.04 3dhb n GLY 12 Ca 0.22 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 3dhb n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhb s ARG 13 N -0.15 1.50 -0.17 1.61 0.52 -0.20 -1.54 118.95 120.51 3dhb s ARG 13 Ca 0.00 -1.81 -0.10 0.00 -0.52 0.00 0.00 55.73 53.30 3dhb s ARG 13 Cb 0.00 0.31 0.06 0.00 0.52 0.00 0.00 34.95 35.84 3dhb s ARG 13 CO 0.00 -0.53 0.42 0.00 0.02 0.00 0.00 175.30 175.21 3dhb s MET 15 N 1.30 4.57 0.04 0.00 1.00 0.66 -0.83 119.30 126.03 3dhb s MET 15 Ca -0.09 1.23 0.03 0.00 0.00 0.00 0.00 55.69 56.86 3dhb s MET 15 Cb -0.08 -3.39 -0.02 0.00 0.00 0.00 0.00 34.83 31.34 3dhb s MET 15 CO -0.12 0.18 -0.09 -0.51 0.00 0.00 0.00 175.02 174.49 3dhb s LEU 16 N 0.23 2.20 0.46 -0.03 1.43 -0.41 -1.39 118.68 121.18 3dhb s LEU 16 Ca 0.43 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 3dhb s LEU 16 Cb -0.21 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 3dhb s LEU 16 CO 0.25 -0.11 1.38 -0.62 0.23 0.00 0.00 176.35 177.48 3dhb s ASP 17 N -1.28 5.87 0.54 2.29 2.15 -1.15 -0.17 116.67 124.92 3dhb s ASP 17 Ca -0.06 2.81 0.36 0.00 0.43 0.00 0.00 52.55 56.10 3dhb s ASP 17 Cb -0.08 -2.65 1.89 0.00 -0.30 0.00 0.00 42.92 41.78 3dhb s ASP 17 CO 0.01 -1.16 2.10 1.12 -0.17 0.00 0.00 175.17 177.07 3dhb h HIS 18 N 2.24 0.00 0.00 -5.34 2.07 -0.98 0.19 115.15 113.32 3dhb h HIS 18 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 3dhb h HIS 18 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3dhb h HIS 18 CO 0.50 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.23 3dhb n SER 19 N -2.82 0.25 0.19 3.10 3.41 -1.26 -1.70 113.62 114.78 3dhb n SER 19 Ca -0.02 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 3dhb n SER 19 Cb 0.10 -0.61 0.11 0.00 -0.26 0.00 0.00 64.21 63.55 3dhb n SER 19 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dhb h SER 20 N 0.00 0.00 0.29 4.04 0.02 -1.30 -3.12 113.55 113.47 3dhb h SER 20 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dhb h SER 20 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3dhb h SER 20 CO 0.00 0.18 -1.63 1.33 -1.14 0.00 0.00 176.83 175.57 3dhb n VAL 21 N -3.12 0.17 -3.38 2.27 0.24 -0.69 -1.05 118.33 112.77 3dhb n VAL 21 Ca 0.03 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 3dhb n VAL 21 Cb 0.60 -0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 3dhb n VAL 21 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dhb s ASN 22 N -4.63 0.89 0.31 -1.34 3.84 -0.85 -4.62 114.94 108.54 3dhb s ASN 22 Ca -0.05 -0.29 0.21 0.00 0.21 0.00 0.00 52.86 52.95 3dhb s ASN 22 Cb 0.13 0.81 1.13 0.00 -0.55 0.00 0.00 41.25 42.77 3dhb s ASN 22 CO 0.87 -0.34 1.65 -1.20 -2.79 0.00 0.00 177.10 175.28 3dhb n SER 23 N 5.34 0.55 0.11 -4.21 7.64 0.30 -1.42 113.62 121.93 3dhb n SER 23 Ca -0.02 0.75 0.12 0.00 1.01 0.00 0.00 58.87 60.73 3dhb n SER 23 Cb 0.49 -0.83 0.24 0.00 -1.01 0.00 0.00 64.21 63.10 3dhb n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dhb h ALA 24 N 2.02 0.79 -2.61 -0.43 0.00 -1.84 -3.47 119.26 113.72 3dhb h ALA 24 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3dhb h ALA 24 Cb 0.02 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.86 3dhb h ALA 24 CO 0.00 0.00 0.45 -0.51 0.00 0.00 0.00 179.25 179.19 3dhb s LEU 25 N -4.76 4.00 -0.12 0.00 1.43 -0.51 -4.98 118.68 113.75 3dhb s LEU 25 Ca 0.07 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.07 3dhb s LEU 25 Cb 0.11 -4.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 3dhb s LEU 25 CO 0.68 -0.84 1.35 -0.89 0.23 0.00 0.00 176.35 176.88 3dhb s THR 26 N -1.63 4.08 0.55 5.49 2.01 -1.26 -4.58 115.64 120.29 3dhb s THR 26 Ca 0.63 1.33 -0.21 0.00 0.31 0.00 0.00 61.69 63.76 3dhb s THR 26 Cb -0.25 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 3dhb s THR 26 CO 0.31 -0.10 1.10 -2.65 -0.69 0.00 0.00 174.62 172.59 3dhb n PRO 27 N 6.47 1.25 0.00 4.92 -0.02 -1.26 -4.44 135.00 141.91 3dhb n PRO 27 Ca 0.14 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3dhb n PRO 27 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3dhb n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhb n GLY 28 N 1.10 -0.29 2.99 -1.23 0.00 -1.26 -5.08 105.19 101.42 3dhb n GLY 28 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3dhb n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhb s LYS 29 N 0.00 2.06 0.37 1.61 -0.14 -1.26 -5.06 119.74 117.32 3dhb s LYS 29 Ca 0.00 -0.60 -0.19 0.00 -1.36 0.00 0.00 55.97 53.82 3dhb s LYS 29 Cb 0.00 -2.12 -0.10 0.00 -1.68 0.00 0.00 37.83 33.93 3dhb s LYS 29 CO 0.00 -0.31 0.86 -0.51 -0.76 0.00 0.00 175.35 174.63 3dhb s LEU 30 N 1.50 4.06 -0.08 3.17 1.43 -1.26 -0.30 118.68 127.20 3dhb s LEU 30 Ca 0.03 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3dhb s LEU 30 Cb -0.14 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 3dhb s LEU 30 CO -0.10 -0.24 -0.21 -0.76 0.23 0.00 0.00 176.35 175.27 3dhb s LEU 31 N -2.89 2.27 -0.69 1.79 1.43 0.75 -4.84 118.68 116.51 3dhb s LEU 31 Ca 0.56 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.01 3dhb s LEU 31 Cb -0.11 -1.44 0.09 0.00 0.03 0.00 0.00 46.19 44.76 3dhb s LEU 31 CO 0.16 0.23 0.93 0.21 0.23 0.00 0.00 176.35 178.11 3dhb s ASN 32 N -0.07 6.27 0.10 2.29 3.04 -1.26 -1.29 114.94 124.01 3dhb s ASN 32 Ca -0.05 -1.32 -0.04 0.00 0.04 0.00 0.00 52.86 51.49 3dhb s ASN 32 Cb -0.14 -2.38 -0.05 0.00 -1.54 0.00 0.00 41.25 37.13 3dhb s ASN 32 CO 0.04 -1.28 0.31 -0.76 -3.04 0.00 0.00 177.10 172.38 3dhb s LEU 33 N 3.41 4.31 0.35 3.21 1.43 -0.01 -4.89 118.68 126.50 3dhb s LEU 33 Ca 0.21 0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 53.55 3dhb s LEU 33 Cb -0.16 -3.11 -0.09 0.00 0.03 0.00 0.00 46.19 42.85 3dhb s LEU 33 CO 0.05 0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.66 3dhb s PRO 34 N -2.46 4.35 -0.15 1.29 0.04 -1.26 -0.97 135.00 135.83 3dhb s PRO 34 Ca 0.37 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 3dhb s PRO 34 Cb -0.13 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 3dhb s PRO 34 CO 0.24 -0.01 0.01 0.08 0.04 0.00 0.00 177.00 177.36 3dhb s VAL 35 N -1.44 4.31 0.08 -0.36 1.01 -0.59 -4.71 120.40 118.70 3dhb s VAL 35 Ca 0.52 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3dhb s VAL 35 Cb -0.26 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3dhb s VAL 35 CO 0.33 0.51 -0.25 0.26 0.00 0.00 0.00 175.10 175.96 3dhb s TRP 36 N 0.09 2.13 0.28 5.22 0.52 -1.26 -0.85 118.94 125.07 3dhb s TRP 36 Ca 0.02 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.82 3dhb s TRP 36 Cb -0.13 -1.22 -0.06 0.00 -1.15 0.00 0.00 33.47 30.92 3dhb s TRP 36 CO 0.02 0.20 -0.09 0.00 0.02 0.00 0.00 176.95 177.10 3dhb s TYR 38 N -2.89 1.24 -0.16 0.00 2.02 -0.43 -0.84 117.35 116.29 3dhb s TYR 38 Ca 0.29 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 3dhb s TYR 38 Cb 0.02 -0.82 -0.00 0.00 -0.40 0.00 0.00 41.96 40.76 3dhb s TYR 38 CO 0.12 -0.06 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.72 3dhb s LEU 39 N -0.15 2.50 -0.25 -1.29 1.98 -0.37 -0.23 118.68 120.87 3dhb s LEU 39 Ca 0.02 -0.46 -0.06 0.00 -2.89 0.00 0.00 54.13 50.73 3dhb s LEU 39 Cb -0.07 -1.57 -0.01 0.00 0.66 0.00 0.00 46.19 45.19 3dhb s LEU 39 CO 0.00 0.08 0.04 -0.76 -1.89 0.00 0.00 176.35 173.82 3dhb s LEU 40 N 0.86 3.41 -0.30 -0.68 1.02 0.47 -0.58 118.68 122.87 3dhb s LEU 40 Ca -0.04 -0.41 -0.18 0.00 0.02 0.00 0.00 54.13 53.52 3dhb s LEU 40 Cb -0.15 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 3dhb s LEU 40 CO -0.01 -0.08 0.52 -1.61 0.02 0.00 0.00 176.35 175.20 3dhb s GLU 41 N 1.54 3.89 0.28 1.70 2.02 -0.11 -0.88 118.70 127.13 3dhb s GLU 41 Ca 0.05 0.13 0.07 0.00 0.02 0.00 0.00 54.97 55.24 3dhb s GLU 41 Cb -0.15 -3.72 -0.06 0.00 0.10 0.00 0.00 34.13 30.30 3dhb s GLU 41 CO 0.01 -0.48 -0.07 0.95 0.02 0.00 0.00 175.26 175.70 3dhb s THR 42 N 2.37 1.71 0.38 3.63 -4.23 -1.09 -0.68 115.64 117.73 3dhb s THR 42 Ca 0.20 -2.14 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3dhb s THR 42 Cb -0.15 -2.42 0.34 0.00 1.34 0.00 0.00 72.50 71.61 3dhb s THR 42 CO 0.11 -0.32 1.87 -0.33 -0.54 0.00 0.00 174.62 175.40 3dhb h GLU 43 N 2.29 0.55 0.00 3.99 4.39 -1.94 -1.35 114.58 122.50 3dhb h GLU 43 Ca -0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3dhb h GLU 43 Cb 1.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3dhb h GLU 43 CO 0.67 0.36 -0.19 0.39 -1.16 0.00 0.00 179.01 179.09 3dhb n GLU 44 N -4.55 0.12 0.00 2.33 4.71 -1.26 -5.03 120.64 116.96 3dhb n GLU 44 Ca 0.18 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 3dhb n GLU 44 Cb 0.56 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 3dhb n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dhb n GLY 45 N 1.42 1.93 3.75 0.62 0.00 -0.51 -4.93 105.19 107.48 3dhb n GLY 45 Ca 0.06 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 3dhb n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dhb s PRO 46 N -1.49 4.83 -0.08 1.61 0.04 -1.26 -2.65 135.00 136.00 3dhb s PRO 46 Ca 0.00 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.53 3dhb s PRO 46 Cb 0.00 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3dhb s PRO 46 CO 0.00 0.52 -0.18 0.42 0.04 0.00 0.00 177.00 177.80 3dhb s ILE 47 N -1.19 1.57 -0.19 0.56 1.01 -0.06 -0.19 121.20 122.72 3dhb s ILE 47 Ca 0.41 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3dhb s ILE 47 Cb -0.26 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3dhb s ILE 47 CO 0.31 0.45 0.03 -0.22 0.00 0.00 0.00 174.94 175.52 3dhb s LEU 48 N 0.47 3.56 -0.34 2.97 2.96 -0.78 -0.40 118.68 127.13 3dhb s LEU 48 Ca -0.16 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3dhb s LEU 48 Cb -0.17 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 3dhb s LEU 48 CO 0.06 0.13 0.20 -0.69 -1.32 0.00 0.00 176.35 174.73 3dhb s VAL 49 N 0.61 4.85 0.37 1.68 1.01 0.69 -0.52 120.40 129.09 3dhb s VAL 49 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3dhb s VAL 49 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3dhb s VAL 49 CO 0.02 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.56 3dhb n ASP 50 N 5.04 -4.74 -0.40 3.32 8.00 0.05 -1.32 116.55 126.50 3dhb n ASP 50 Ca -0.13 0.86 0.01 0.00 0.71 0.00 0.00 54.79 56.24 3dhb n ASP 50 Cb 0.49 -2.98 0.01 0.00 -0.02 0.00 0.00 41.12 38.62 3dhb n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dhb n THR 51 N -3.42 0.19 -4.41 -3.53 -2.24 -0.37 -4.64 114.28 95.86 3dhb n THR 51 Ca -0.06 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3dhb n THR 51 Cb 0.41 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3dhb n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhb n GLY 52 N -0.14 -0.46 3.95 3.38 0.00 -1.25 -2.81 105.19 107.86 3dhb n GLY 52 Ca 0.01 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 3dhb n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dhb s MET 53 N 0.00 3.47 0.70 1.61 -1.94 -1.26 -0.65 119.30 121.23 3dhb s MET 53 Ca 0.00 -0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 53.40 3dhb s MET 53 Cb 0.00 -2.74 0.01 0.00 2.01 0.00 0.00 34.83 34.11 3dhb s MET 53 CO 0.00 0.25 1.07 -1.25 -0.01 0.00 0.00 175.02 175.08 3dhb s PRO 54 N -4.16 2.84 0.56 2.03 0.04 -1.25 -4.03 135.00 131.03 3dhb s PRO 54 Ca 0.38 1.01 0.24 0.00 0.04 0.00 0.00 61.00 62.67 3dhb s PRO 54 Cb -0.09 -1.98 1.56 0.00 0.04 0.00 0.00 34.50 34.03 3dhb s PRO 54 CO 0.33 -1.18 2.18 1.05 0.04 0.00 0.00 177.00 179.43 3dhb h GLU 55 N -0.71 0.00 0.00 4.56 -0.00 -1.99 -0.52 114.58 115.92 3dhb h GLU 55 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.92 3dhb h GLU 55 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3dhb h GLU 55 CO 0.56 0.00 -0.01 0.66 -0.00 0.00 0.00 179.01 180.21 3dhb h SER 56 N 0.00 0.00 1.10 3.06 4.64 -1.96 -1.54 113.55 118.84 3dhb h SER 56 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dhb h SER 56 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3dhb h SER 56 CO -0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 176.83 175.92 3dhb n ALA 57 N -2.12 2.42 -1.99 5.18 0.00 -0.20 -4.69 120.51 119.11 3dhb n ALA 57 Ca -0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3dhb n ALA 57 Cb 0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3dhb n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dhb s VAL 58 N -3.04 3.30 -1.52 0.00 1.01 -0.58 -2.32 120.40 117.25 3dhb s VAL 58 Ca 0.13 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 3dhb s VAL 58 Cb 0.17 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 33.24 3dhb s VAL 58 CO 0.57 -0.02 0.82 0.59 0.00 0.00 0.00 175.10 177.06 3dhb n ASN 59 N 6.10 -4.33 -3.07 3.32 3.02 0.26 -4.89 115.26 115.67 3dhb n ASN 59 Ca 0.16 -0.73 -0.18 0.00 -0.03 0.00 0.00 54.58 53.81 3dhb n ASN 59 Cb 0.42 -3.49 -0.02 0.00 -0.61 0.00 0.00 39.78 36.07 3dhb n ASN 59 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dhb n ASN 60 N -2.66 -0.33 0.04 6.41 4.05 -0.98 -4.95 115.26 116.84 3dhb n ASN 60 Ca 0.03 -3.02 0.19 0.00 0.45 0.00 0.00 54.58 52.23 3dhb n ASN 60 Cb 0.52 0.03 0.70 0.00 1.23 0.00 0.00 39.78 42.26 3dhb n ASN 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 3dhb h GLU 61 N 3.51 0.00 -0.77 1.20 3.07 -1.79 -1.61 114.58 118.18 3dhb h GLU 61 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3dhb h GLU 61 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3dhb h GLU 61 CO 0.41 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.43 3dhb n GLY 62 N -1.61 1.77 0.37 -3.84 0.00 -1.26 -4.11 105.19 96.51 3dhb n GLY 62 Ca 0.08 -0.32 0.25 0.00 0.00 0.00 0.00 46.02 46.03 3dhb n GLY 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dhb h LEU 63 N 1.42 0.47 -2.49 0.99 5.85 -1.63 0.01 115.31 119.93 3dhb h LEU 63 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3dhb h LEU 63 Cb 0.93 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3dhb h LEU 63 CO 0.15 -0.09 0.00 0.49 -0.34 0.00 0.00 178.44 178.65 3dhb n PHE 64 N -4.91 0.87 -1.65 1.25 3.01 -1.26 -4.92 117.46 109.86 3dhb n PHE 64 Ca 0.31 -0.44 -0.45 0.00 1.01 0.00 0.00 57.45 57.89 3dhb n PHE 64 Cb 1.02 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.47 3dhb n PHE 64 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3dhb n ASN 65 N 1.50 2.32 0.00 4.37 3.02 -0.01 -1.91 115.26 124.54 3dhb n ASN 65 Ca 0.23 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.94 3dhb n ASN 65 Cb 0.58 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 3dhb n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dhb n GLY 66 N 1.67 0.90 3.85 7.41 0.00 -1.26 -4.98 105.19 112.77 3dhb n GLY 66 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3dhb n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dhb s THR 67 N -3.55 2.04 -1.12 2.61 -4.23 -0.80 -5.01 115.64 105.57 3dhb s THR 67 Ca 0.00 -1.53 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3dhb s THR 67 Cb 0.00 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.38 3dhb s THR 67 CO 0.00 0.00 1.26 2.22 -0.54 0.00 0.00 174.62 177.56 3dhb n PHE 68 N -1.56 0.00 -0.57 3.99 -1.74 -1.26 -1.97 117.46 114.35 3dhb n PHE 68 Ca -0.01 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.94 3dhb n PHE 68 Cb 0.64 -0.44 0.15 0.00 1.52 0.00 0.00 39.48 41.35 3dhb n PHE 68 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3dhb n VAL 69 N -1.44 1.57 -1.60 1.97 0.24 -1.26 -5.01 118.33 112.79 3dhb n VAL 69 Ca 0.03 -1.53 -0.50 0.00 -2.04 0.00 0.00 64.34 60.30 3dhb n VAL 69 Cb 0.10 0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.54 3dhb n VAL 69 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3dhb n GLU 70 N -0.41 1.35 -0.28 7.34 2.13 -0.83 -0.69 120.64 129.25 3dhb n GLU 70 Ca 0.13 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.44 3dhb n GLU 70 Cb 0.57 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.17 3dhb n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dhb n GLY 71 N 2.52 1.79 0.07 8.31 0.00 -1.26 -4.78 105.19 111.85 3dhb n GLY 71 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 3dhb n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhb n GLN 72 N -2.00 0.67 -3.79 1.61 6.02 0.13 -4.86 117.38 115.16 3dhb n GLN 72 Ca 0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 3dhb n GLN 72 Cb 0.00 -1.56 -0.17 0.00 1.02 0.00 0.00 30.24 29.53 3dhb n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dhb s ILE 73 N -2.82 0.32 -0.23 5.09 1.01 -1.15 -2.94 121.20 120.48 3dhb s ILE 73 Ca -0.09 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3dhb s ILE 73 Cb 0.09 -0.48 0.07 0.00 0.01 0.00 0.00 42.46 42.15 3dhb s ILE 73 CO 0.85 0.24 0.03 -0.76 0.00 0.00 0.00 174.94 175.30 3dhb s LEU 74 N 1.88 1.83 0.44 2.97 1.02 -0.48 -4.60 118.68 121.74 3dhb s LEU 74 Ca 0.03 -1.12 -0.24 0.00 0.02 0.00 0.00 54.13 52.83 3dhb s LEU 74 Cb -0.12 -0.82 -0.08 0.00 0.02 0.00 0.00 46.19 45.19 3dhb s LEU 74 CO -0.04 -0.31 1.16 -2.16 0.02 0.00 0.00 176.35 175.02 3dhb s PRO 75 N 1.67 3.84 -0.51 1.29 0.04 -1.26 -0.25 135.00 139.83 3dhb s PRO 75 Ca 0.00 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.87 3dhb s PRO 75 Cb -0.18 -2.48 0.13 0.00 0.04 0.00 0.00 34.50 32.02 3dhb s PRO 75 CO -0.12 -0.48 0.27 0.15 0.04 0.00 0.00 177.00 176.87 3dhb s LYS 76 N -2.59 1.84 -0.04 4.56 1.02 0.28 -4.01 119.74 120.80 3dhb s LYS 76 Ca 0.62 -2.54 0.01 0.00 0.02 0.00 0.00 55.97 54.08 3dhb s LYS 76 Cb -0.29 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 3dhb s LYS 76 CO 0.36 -1.14 -0.03 1.41 -0.92 0.00 0.00 175.35 175.02 3dhb s MET 77 N -0.24 0.71 0.46 1.68 1.75 -1.26 -1.03 119.30 121.37 3dhb s MET 77 Ca 0.18 -0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.65 3dhb s MET 77 Cb -0.24 -0.79 0.01 0.00 2.84 0.00 0.00 34.83 36.66 3dhb s MET 77 CO -0.02 -0.12 0.50 0.95 -0.65 0.00 0.00 175.02 175.69 3dhb s THR 78 N 1.05 2.53 0.45 10.11 -4.23 -1.26 -0.57 115.64 123.72 3dhb s THR 78 Ca -0.09 -1.21 0.16 0.00 -1.18 0.00 0.00 61.69 59.37 3dhb s THR 78 Cb -0.14 -2.74 0.35 0.00 1.34 0.00 0.00 72.50 71.30 3dhb s THR 78 CO -0.01 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.71 3dhb h GLU 79 N 0.75 0.33 0.00 3.99 4.39 -1.98 -1.31 114.58 120.74 3dhb h GLU 79 Ca -0.38 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 3dhb h GLU 79 Cb 1.28 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3dhb h GLU 79 CO 0.51 0.22 -0.12 0.93 -1.16 0.00 0.00 179.01 179.39 3dhb h GLU 80 N 0.34 0.00 -0.00 2.33 5.08 -1.99 -2.74 114.58 117.59 3dhb h GLU 80 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3dhb h GLU 80 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3dhb h GLU 80 CO -0.08 0.12 -0.08 -0.25 -1.00 0.00 0.00 179.01 177.73 3dhb n ASP 81 N -3.67 0.30 -4.74 1.42 8.00 -0.49 -3.87 116.55 113.50 3dhb n ASP 81 Ca -0.02 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.63 3dhb n ASP 81 Cb 0.24 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3dhb n ASP 81 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dhb s ARG 82 N -2.51 4.14 0.40 -1.24 0.52 -1.04 -4.72 118.95 114.51 3dhb s ARG 82 Ca 0.29 2.54 0.13 0.00 -0.52 0.00 0.00 55.73 58.17 3dhb s ARG 82 Cb 0.20 -3.05 0.96 0.00 0.52 0.00 0.00 34.95 33.58 3dhb s ARG 82 CO 0.47 -0.64 1.92 0.97 0.02 0.00 0.00 175.30 178.04 3dhb h ILE 83 N 3.57 0.84 -0.44 1.52 6.09 -1.86 -0.02 117.51 127.21 3dhb h ILE 83 Ca -0.45 -0.18 -0.09 0.00 -1.37 0.00 0.00 64.86 62.77 3dhb h ILE 83 Cb 1.21 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.77 3dhb h ILE 83 CO 0.85 0.09 -0.08 0.58 -3.07 0.00 0.00 178.15 176.52 3dhb h VAL 84 N 0.51 1.25 -0.18 2.19 2.07 -1.93 0.35 116.25 120.52 3dhb h VAL 84 Ca 0.37 -1.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 3dhb h VAL 84 Cb 0.71 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3dhb h VAL 84 CO -0.13 0.38 -0.45 0.78 0.02 0.00 0.00 177.57 178.17 3dhb h ASN 85 N 0.70 0.70 -0.20 0.57 -0.26 -1.34 -0.69 115.58 115.05 3dhb h ASN 85 Ca 0.12 -0.58 0.05 0.00 -0.56 0.00 0.00 56.30 55.34 3dhb h ASN 85 Cb 0.54 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.55 3dhb h ASN 85 CO 0.03 1.15 -0.13 0.40 -1.06 0.00 0.00 177.43 177.82 3dhb h ILE 86 N 0.28 0.62 -0.71 2.81 2.04 -1.05 -1.11 117.51 120.38 3dhb h ILE 86 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3dhb h ILE 86 Cb 1.06 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3dhb h ILE 86 CO 0.10 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.54 3dhb h LEU 87 N -0.12 0.91 -0.58 1.44 3.38 -0.86 -1.43 115.31 118.05 3dhb h LEU 87 Ca 0.12 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3dhb h LEU 87 Cb 0.29 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3dhb h LEU 87 CO -0.28 0.77 0.31 0.50 0.09 0.00 0.00 178.44 179.84 3dhb h LYS 88 N 0.99 0.58 -0.55 1.13 1.63 -0.76 0.84 116.57 120.43 3dhb h LYS 88 Ca 0.25 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3dhb h LYS 88 Cb 0.09 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3dhb h LYS 88 CO -0.03 0.38 0.05 0.00 -3.45 0.00 0.00 179.45 176.40 3dhb h ARG 89 N 0.60 0.91 -0.04 1.90 3.08 -0.73 -2.87 114.38 117.22 3dhb h ARG 89 Ca 0.25 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3dhb h ARG 89 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3dhb h ARG 89 CO -0.16 0.87 -0.54 -0.24 -1.07 0.00 0.00 179.97 178.83 3dhb h VAL 90 N 0.85 1.38 0.00 2.04 3.04 -0.53 -3.47 116.25 119.56 3dhb h VAL 90 Ca 0.17 -1.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 3dhb h VAL 90 Cb 0.43 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3dhb h VAL 90 CO 0.02 0.53 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 3dhb n GLY 91 N 0.06 1.32 3.19 3.17 0.00 0.08 -5.10 105.19 107.90 3dhb n GLY 91 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3dhb n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhb s TYR 92 N -1.37 1.17 0.19 1.61 1.51 0.01 -4.99 117.35 115.46 3dhb s TYR 92 Ca 0.00 -0.58 0.06 0.00 -1.01 0.00 0.00 57.07 55.54 3dhb s TYR 92 Cb 0.00 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 3dhb s TYR 92 CO 0.00 0.05 0.09 -1.21 -1.11 0.00 0.00 175.55 173.36 3dhb s GLU 93 N -2.49 2.68 0.31 -0.62 2.02 -1.26 -2.65 118.70 116.68 3dhb s GLU 93 Ca 0.04 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.08 3dhb s GLU 93 Cb -0.05 -2.49 0.83 0.00 0.10 0.00 0.00 34.13 32.51 3dhb s GLU 93 CO 0.01 0.45 1.70 -1.35 0.02 0.00 0.00 175.26 176.09 3dhb h PRO 94 N 2.33 0.41 0.00 0.39 0.11 -1.94 0.23 132.00 133.53 3dhb h PRO 94 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dhb h PRO 94 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dhb h PRO 94 CO 0.61 0.27 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 3dhb n ASP 95 N -5.02 0.00 0.23 -2.05 8.00 -1.26 -2.21 116.55 114.24 3dhb n ASP 95 Ca 0.25 0.33 0.15 0.00 0.71 0.00 0.00 54.79 56.23 3dhb n ASP 95 Cb 0.74 -0.43 0.49 0.00 -0.02 0.00 0.00 41.12 41.90 3dhb n ASP 95 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dhb h ASP 96 N 0.00 0.00 -3.75 -2.24 3.32 -1.35 -3.46 116.42 108.94 3dhb h ASP 96 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3dhb h ASP 96 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3dhb h ASP 96 CO 0.00 0.00 0.38 -0.76 -1.72 0.00 0.00 179.24 177.14 3dhb s LEU 97 N -5.89 4.61 -0.05 1.55 1.43 -0.94 -4.61 118.68 114.79 3dhb s LEU 97 Ca 0.04 2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 3dhb s LEU 97 Cb 0.08 -3.61 -0.22 0.00 0.03 0.00 0.00 46.19 42.47 3dhb s LEU 97 CO 0.57 0.07 1.10 0.25 0.23 0.00 0.00 176.35 178.56 3dhb h LEU 98 N 4.19 0.07 -7.84 1.79 5.85 -0.90 -3.45 115.31 115.02 3dhb h LEU 98 Ca -0.45 -0.68 -0.13 0.00 0.84 0.00 0.00 57.88 57.46 3dhb h LEU 98 Cb 1.20 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 42.03 3dhb h LEU 98 CO 0.68 0.74 -0.51 -0.31 -0.34 0.00 0.00 178.44 178.70 3dhb s TYR 99 N -3.51 0.14 -0.11 1.25 2.02 -1.25 -4.36 117.35 111.53 3dhb s TYR 99 Ca -0.17 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 3dhb s TYR 99 Cb 0.01 -0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.43 3dhb s TYR 99 CO 0.70 -0.34 0.02 0.42 -1.57 0.00 0.00 175.55 174.78 3dhb s ILE 100 N -2.17 4.49 -0.22 2.71 -1.09 -0.39 -1.87 121.20 122.66 3dhb s ILE 100 Ca -0.09 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.12 3dhb s ILE 100 Cb -0.04 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3dhb s ILE 100 CO -0.02 0.58 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.59 3dhb s ILE 101 N -0.63 3.39 -0.41 2.92 1.01 0.32 -0.08 121.20 127.73 3dhb s ILE 101 Ca 0.11 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 3dhb s ILE 101 Cb -0.12 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.83 3dhb s ILE 101 CO 0.02 0.42 0.44 -0.44 0.00 0.00 0.00 174.94 175.39 3dhb s SER 102 N 1.47 6.21 0.28 3.58 0.01 -0.30 -0.77 113.70 124.19 3dhb s SER 102 Ca 0.06 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 3dhb s SER 102 Cb -0.14 -2.23 0.48 0.00 0.21 0.00 0.00 66.02 64.34 3dhb s SER 102 CO -0.03 -0.55 1.88 0.77 0.41 0.00 0.00 173.24 175.72 3dhb h SER 103 N 8.69 0.97 -5.44 2.44 4.64 -1.85 -3.43 113.55 119.56 3dhb h SER 103 Ca -0.27 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.24 3dhb h SER 103 Cb 1.11 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 3dhb h SER 103 CO 0.79 0.60 0.60 -1.38 -0.87 0.00 0.00 176.83 176.57 3dhb s HIS 104 N -5.97 0.06 -0.37 4.77 -3.43 -1.26 -1.05 115.29 108.03 3dhb s HIS 104 Ca -0.12 -0.43 0.16 0.00 -0.80 0.00 0.00 55.06 53.87 3dhb s HIS 104 Cb 0.20 0.69 0.60 0.00 -1.43 0.00 0.00 32.58 32.64 3dhb s HIS 104 CO 0.81 -0.87 1.50 1.28 -2.00 0.00 0.00 174.74 175.47 3dhb n LEU 105 N -0.70 4.32 -4.69 5.38 4.77 -1.26 -4.29 117.00 120.53 3dhb n LEU 105 Ca -0.03 -2.84 -0.32 0.00 -0.03 0.00 0.00 56.01 52.80 3dhb n LEU 105 Cb 0.59 -0.55 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 3dhb n LEU 105 CO 0.20 0.68 0.71 -1.00 -1.33 0.00 0.00 177.39 176.66 3dhb s HIS 106 N -2.52 1.76 0.40 -1.77 3.76 -1.26 -4.65 115.29 111.00 3dhb s HIS 106 Ca 0.44 1.74 0.13 0.00 -0.15 0.00 0.00 55.06 57.22 3dhb s HIS 106 Cb 0.34 -3.37 0.81 0.00 1.11 0.00 0.00 32.58 31.47 3dhb s HIS 106 CO 0.13 -2.74 1.88 0.27 -0.85 0.00 0.00 174.74 173.43 3dhb h PHE 107 N -1.47 0.00 -0.57 1.40 -5.15 -1.94 -0.86 116.94 108.36 3dhb h PHE 107 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3dhb h PHE 107 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3dhb h PHE 107 CO 0.50 0.31 0.00 -0.40 -2.00 0.00 0.00 178.31 176.72 3dhb n ASP 108 N -4.17 4.23 -0.01 -0.68 3.85 -1.26 -2.32 116.55 116.19 3dhb n ASP 108 Ca -0.02 -2.39 0.00 0.00 -0.71 0.00 0.00 54.79 51.67 3dhb n ASP 108 Cb 0.35 -0.54 -0.03 0.00 -1.35 0.00 0.00 41.12 39.56 3dhb n ASP 108 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3dhb n HIS 109 N 0.97 0.00 -0.62 2.11 8.25 -0.42 -3.95 115.22 121.57 3dhb n HIS 109 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3dhb n HIS 109 Cb 0.80 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.80 3dhb n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dhb n ALA 110 N -1.83 1.52 0.27 -1.41 0.00 -0.68 -1.23 120.51 117.15 3dhb n ALA 110 Ca -0.03 -0.82 0.13 0.00 0.00 0.00 0.00 53.44 52.73 3dhb n ALA 110 Cb 0.31 -0.04 0.76 0.00 0.00 0.00 0.00 19.45 20.48 3dhb n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dhb h GLY 111 N 0.00 0.00 -1.61 0.00 0.00 -0.47 -1.76 103.07 99.22 3dhb h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dhb h GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3dhb n GLY 112 N -0.76 1.08 0.31 4.60 0.00 -1.12 -3.76 105.19 105.53 3dhb n GLY 112 Ca -0.02 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.50 3dhb n GLY 112 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dhb h ASN 113 N 2.95 0.49 0.15 1.61 4.21 -1.56 -2.09 115.58 121.34 3dhb h ASN 113 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3dhb h ASN 113 Cb 0.66 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3dhb h ASN 113 CO 0.00 0.37 0.00 1.23 -1.29 0.00 0.00 177.43 177.74 3dhb h GLY 114 N 0.60 0.00 2.00 2.83 0.00 -1.80 -1.49 103.07 105.21 3dhb h GLY 114 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3dhb h GLY 114 CO -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.51 3dhb h ALA 115 N 2.02 1.00 -2.96 3.60 0.00 -1.74 -3.38 119.26 117.80 3dhb h ALA 115 Ca 0.00 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 3dhb h ALA 115 Cb 0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.54 3dhb h ALA 115 CO 0.00 0.01 -0.34 -0.06 0.00 0.00 0.00 179.25 178.86 3dhb s PHE 116 N -3.76 3.49 -1.33 0.00 0.08 -0.56 -4.85 117.98 111.05 3dhb s PHE 116 Ca -0.00 -2.33 0.21 0.00 0.12 0.00 0.00 56.93 54.93 3dhb s PHE 116 Cb 0.10 -3.38 -0.15 0.00 -0.57 0.00 0.00 43.02 39.02 3dhb s PHE 116 CO 0.52 -0.93 0.95 0.25 -0.10 0.00 0.00 175.22 175.91 3dhb n THR 117 N 4.14 0.00 -0.03 0.64 -2.24 -1.26 -4.53 114.28 110.99 3dhb n THR 117 Ca 0.03 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 3dhb n THR 117 Cb 0.40 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 3dhb n THR 117 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dhb n ASN 118 N -0.99 3.50 -4.74 3.42 3.02 -1.26 -4.33 115.26 113.88 3dhb n ASN 118 Ca 0.06 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3dhb n ASN 118 Cb 0.37 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.65 3dhb n ASN 118 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dhb s THR 119 N -2.14 2.53 0.26 3.41 2.01 -1.26 -4.81 115.64 115.64 3dhb s THR 119 Ca -0.07 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 3dhb s THR 119 Cb 0.02 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 3dhb s THR 119 CO 0.19 0.06 1.48 -2.84 -0.69 0.00 0.00 174.62 172.81 3dhb s PRO 120 N 0.09 4.23 -0.35 4.92 0.02 -1.26 -4.48 135.00 138.17 3dhb s PRO 120 Ca 0.63 2.38 -0.07 0.00 0.02 0.00 0.00 61.00 63.96 3dhb s PRO 120 Cb -0.44 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.04 3dhb s PRO 120 CO 0.40 -0.48 0.13 0.42 -0.33 0.00 0.00 177.00 177.14 3dhb s ILE 121 N -0.03 3.97 -0.21 2.83 1.01 -0.18 -1.26 121.20 127.34 3dhb s ILE 121 Ca 0.60 -1.05 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 3dhb s ILE 121 Cb -0.43 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3dhb s ILE 121 CO 0.45 -0.18 0.80 -0.63 0.00 0.00 0.00 174.94 175.37 3dhb s ILE 122 N 1.44 4.88 -0.05 2.92 1.01 0.89 -0.35 121.20 131.94 3dhb s ILE 122 Ca -0.01 1.52 -0.07 0.00 0.00 0.00 0.00 60.65 62.10 3dhb s ILE 122 Cb -0.19 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3dhb s ILE 122 CO 0.04 -0.01 0.18 -0.69 0.00 0.00 0.00 174.94 174.46 3dhb s VAL 123 N 2.46 0.02 0.38 2.92 1.01 -1.05 -1.15 120.40 124.99 3dhb s VAL 123 Ca 0.35 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 3dhb s VAL 123 Cb -0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 3dhb s VAL 123 CO 0.10 -0.09 1.23 -1.10 0.00 0.00 0.00 175.10 175.24 3dhb s GLN 124 N -0.27 4.15 0.24 2.72 -1.52 -1.26 -1.34 119.66 122.37 3dhb s GLN 124 Ca -0.04 2.02 -0.05 0.00 -1.95 0.00 0.00 55.36 55.34 3dhb s GLN 124 Cb -0.03 -2.84 0.38 0.00 -0.22 0.00 0.00 33.01 30.30 3dhb s GLN 124 CO 0.01 -0.29 1.81 -0.09 -0.25 0.00 0.00 175.29 176.47 3dhb h ARG 125 N 2.92 0.75 0.00 2.91 2.43 -1.23 -0.42 114.38 121.74 3dhb h ARG 125 Ca -0.49 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3dhb h ARG 125 Cb 1.23 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3dhb h ARG 125 CO 0.64 0.49 -0.20 1.79 -1.51 0.00 0.00 179.97 181.18 3dhb h THR 126 N 0.77 0.55 0.04 0.20 1.35 -1.88 -0.04 112.91 113.90 3dhb h THR 126 Ca 0.38 -0.98 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 3dhb h THR 126 Cb 0.34 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3dhb h THR 126 CO -0.24 0.20 -0.39 -0.08 -0.25 0.00 0.00 175.52 174.75 3dhb h GLU 127 N 0.00 0.20 -0.33 4.72 4.57 -1.43 -2.49 114.58 119.82 3dhb h GLU 127 Ca -0.00 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 57.96 3dhb h GLU 127 Cb 0.65 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 3dhb h GLU 127 CO 0.03 1.05 0.07 -0.92 -1.18 0.00 0.00 179.01 178.06 3dhb h TYR 128 N -0.53 0.13 -0.69 0.92 3.20 -0.90 -0.45 116.97 118.65 3dhb h TYR 128 Ca -0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3dhb h TYR 128 Cb 1.22 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 3dhb h TYR 128 CO 0.20 0.03 0.37 0.93 -1.64 0.00 0.00 178.16 178.05 3dhb h GLU 129 N 0.19 0.97 -0.73 1.82 4.39 -1.09 -2.39 114.58 117.74 3dhb h GLU 129 Ca 0.16 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3dhb h GLU 129 Cb 0.17 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3dhb h GLU 129 CO -0.20 0.73 0.33 0.00 -1.16 0.00 0.00 179.01 178.71 3dhb h ALA 130 N 1.18 0.95 0.00 3.43 0.00 -0.99 -2.83 119.26 121.00 3dhb h ALA 130 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dhb h ALA 130 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3dhb h ALA 130 CO -0.04 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.66 3dhb h ALA 131 N 1.16 1.14 0.00 0.00 0.00 -0.59 -0.67 119.26 120.30 3dhb h ALA 131 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dhb h ALA 131 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dhb h ALA 131 CO -0.03 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 3dhb h LEU 132 N 0.00 0.00 0.00 0.00 3.38 -1.21 -3.39 115.31 114.09 3dhb h LEU 132 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dhb h LEU 132 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dhb h LEU 132 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3dhb n HIS 133 N -2.56 0.00 -2.62 1.13 1.44 -0.66 -5.10 115.22 106.85 3dhb n HIS 133 Ca 0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.34 3dhb n HIS 133 Cb 0.21 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 3dhb n HIS 133 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3dhb s ARG 134 N 0.00 4.51 0.33 -1.40 0.52 -0.35 -4.94 118.95 117.63 3dhb s ARG 134 Ca 0.00 1.53 0.26 0.00 -0.52 0.00 0.00 55.73 57.01 3dhb s ARG 134 Cb 0.00 -2.89 1.00 0.00 0.52 0.00 0.00 34.95 33.58 3dhb s ARG 134 CO 0.00 0.17 1.78 1.05 0.02 0.00 0.00 175.30 178.32 3dhb h GLU 135 N 3.27 0.00 -0.00 3.54 4.11 -1.95 -2.66 114.58 120.89 3dhb h GLU 135 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3dhb h GLU 135 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dhb h GLU 135 CO 0.65 0.00 -0.00 -0.85 0.07 0.00 0.00 179.01 178.88 3dhb n GLU 136 N -2.51 1.02 -3.60 1.06 0.00 -1.26 -4.78 120.64 110.57 3dhb n GLU 136 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 57.16 56.78 3dhb n GLU 136 Cb 0.30 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 3dhb n GLU 136 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3dhb s TYR 137 N -2.00 3.32 0.38 -1.84 1.51 -1.01 -4.76 117.35 112.96 3dhb s TYR 137 Ca 0.48 0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 56.60 3dhb s TYR 137 Cb 0.22 -2.33 -0.09 0.00 -0.11 0.00 0.00 41.96 39.65 3dhb s TYR 137 CO 0.37 0.03 1.03 -1.64 -1.11 0.00 0.00 175.55 174.24 3dhb s MET 138 N 1.16 4.25 0.46 -0.62 -1.94 -1.26 -4.95 119.30 116.41 3dhb s MET 138 Ca 0.10 1.48 0.13 0.00 -1.71 0.00 0.00 55.69 55.69 3dhb s MET 138 Cb -0.14 -2.59 1.09 0.00 2.01 0.00 0.00 34.83 35.20 3dhb s MET 138 CO 0.06 -0.06 2.07 0.87 -0.01 0.00 0.00 175.02 177.94 3dhb h LYS 139 N 2.63 0.27 0.00 2.03 1.79 -1.96 -0.46 116.57 120.87 3dhb h LYS 139 Ca -0.48 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3dhb h LYS 139 Cb 1.21 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3dhb h LYS 139 CO 0.63 0.18 -0.00 0.93 -1.08 0.00 0.00 179.45 180.10 3dhb h GLU 140 N 0.28 0.00 -0.13 3.15 3.07 -1.94 -2.44 114.58 116.57 3dhb h GLU 140 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3dhb h GLU 140 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3dhb h GLU 140 CO -0.03 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.58 3dhb n ILE 142 N 1.21 1.13 -1.77 0.00 0.13 -0.92 -4.93 119.36 114.20 3dhb n ILE 142 Ca 0.16 -2.76 -0.41 0.00 -1.10 0.00 0.00 62.75 58.64 3dhb n ILE 142 Cb 0.56 1.22 -0.00 0.00 -0.84 0.00 0.00 39.64 40.58 3dhb n ILE 142 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3dhb n LEU 143 N -0.63 4.75 0.20 9.51 4.77 -1.20 -4.89 117.00 129.50 3dhb n LEU 143 Ca 0.05 1.21 0.07 0.00 -0.03 0.00 0.00 56.01 57.32 3dhb n LEU 143 Cb 0.81 -1.62 0.34 0.00 -2.33 0.00 0.00 43.42 40.61 3dhb n LEU 143 CO 0.07 0.18 0.71 1.55 -1.33 0.00 0.00 177.39 178.57 3dhb h PRO 144 N 3.31 0.00 -0.23 3.23 0.13 -1.99 -3.33 132.00 133.11 3dhb h PRO 144 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3dhb h PRO 144 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3dhb h PRO 144 CO 0.67 0.31 0.00 0.72 -0.23 0.00 0.00 178.00 179.47 3dhb n HIS 145 N -3.39 0.55 -1.34 1.56 8.25 -1.26 -4.99 115.22 114.60 3dhb n HIS 145 Ca 0.00 -0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 56.45 3dhb n HIS 145 Cb 0.51 -0.16 0.11 0.00 1.12 0.00 0.00 29.99 31.57 3dhb n HIS 145 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dhb s LEU 146 N -1.95 2.52 -1.35 2.41 1.43 -1.25 -4.92 118.68 115.56 3dhb s LEU 146 Ca 0.29 1.48 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 3dhb s LEU 146 Cb 0.21 -4.03 0.10 0.00 0.03 0.00 0.00 46.19 42.51 3dhb s LEU 146 CO 0.10 -2.28 1.94 -3.20 0.23 0.00 0.00 176.35 173.14 3dhb n ASN 147 N -3.65 4.60 -4.77 2.29 4.05 -1.26 -4.98 115.26 111.54 3dhb n ASN 147 Ca 0.07 -2.96 -0.40 0.00 0.45 0.00 0.00 54.58 51.74 3dhb n ASN 147 Cb 0.55 -1.60 -0.03 0.00 1.23 0.00 0.00 39.78 39.93 3dhb n ASN 147 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3dhb s TYR 148 N 2.21 3.17 -0.50 1.20 2.02 -1.26 -1.01 117.35 123.18 3dhb s TYR 148 Ca 0.45 1.49 0.03 0.00 -0.37 0.00 0.00 57.07 58.67 3dhb s TYR 148 Cb 0.09 -3.57 0.13 0.00 -0.40 0.00 0.00 41.96 38.21 3dhb s TYR 148 CO -0.02 -1.51 0.25 0.21 -1.57 0.00 0.00 175.55 172.90 3dhb s LYS 149 N -1.76 1.98 0.02 -0.62 2.20 0.53 -4.78 119.74 117.31 3dhb s LYS 149 Ca 0.49 -2.45 -0.30 0.00 -0.36 0.00 0.00 55.97 53.34 3dhb s LYS 149 Cb -0.37 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3dhb s LYS 149 CO 0.49 -1.09 1.00 0.42 -0.36 0.00 0.00 175.35 175.81 3dhb s ILE 150 N -0.00 4.72 0.29 5.43 1.01 -1.26 -2.52 121.20 128.87 3dhb s ILE 150 Ca 0.16 2.00 0.08 0.00 0.00 0.00 0.00 60.65 62.89 3dhb s ILE 150 Cb -0.24 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 3dhb s ILE 150 CO -0.02 0.18 -0.10 0.27 0.00 0.00 0.00 174.94 175.26 3dhb s ILE 151 N 0.87 1.96 -0.24 2.92 -4.36 -0.45 -4.91 121.20 116.98 3dhb s ILE 151 Ca 0.52 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3dhb s ILE 151 Cb -0.22 -2.43 0.07 0.00 1.25 0.00 0.00 42.46 41.13 3dhb s ILE 151 CO 0.28 -0.33 0.03 -1.61 0.24 0.00 0.00 174.94 173.56 3dhb s GLU 152 N -3.65 0.94 0.65 0.37 2.02 -1.26 -0.64 118.70 117.13 3dhb s GLU 152 Ca 0.29 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3dhb s GLU 152 Cb 0.01 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.02 3dhb s GLU 152 CO 0.13 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.08 3dhb n GLY 153 N 4.87 -1.30 3.77 -1.39 0.00 -1.26 -4.93 105.19 104.95 3dhb n GLY 153 Ca -0.07 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 3dhb n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dhb s ASP 154 N -4.00 5.22 -0.27 1.61 1.11 -1.26 -4.46 116.67 114.62 3dhb s ASP 154 Ca 0.00 2.05 -0.23 0.00 0.18 0.00 0.00 52.55 54.55 3dhb s ASP 154 Cb 0.00 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.51 3dhb s ASP 154 CO 0.00 -1.55 0.72 -0.47 1.18 0.00 0.00 175.17 175.05 3dhb s TYR 155 N -2.21 -0.84 -0.28 4.23 5.04 -0.86 -4.99 117.35 117.46 3dhb s TYR 155 Ca 0.68 1.95 -0.14 0.00 -2.44 0.00 0.00 57.07 57.12 3dhb s TYR 155 Cb -0.21 0.35 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 3dhb s TYR 155 CO 0.38 -0.41 0.32 -2.00 -1.34 0.00 0.00 175.55 172.51 3dhb s GLU 156 N 0.64 3.97 -0.13 4.97 2.12 -1.26 -0.13 118.70 128.89 3dhb s GLU 156 Ca -0.02 -0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.04 3dhb s GLU 156 Cb -0.05 -3.66 -0.17 0.00 0.26 0.00 0.00 34.13 30.51 3dhb s GLU 156 CO -0.04 -0.26 0.50 0.28 -0.54 0.00 0.00 175.26 175.20 3dhb h VAL 157 N 5.39 1.17 -3.86 3.70 2.07 -1.49 -3.48 116.25 119.75 3dhb h VAL 157 Ca -0.32 -1.88 -0.10 0.00 0.82 0.00 0.00 66.70 65.21 3dhb h VAL 157 Cb 1.17 2.22 -0.12 0.00 -1.52 0.00 0.00 31.29 33.03 3dhb h VAL 157 CO 0.62 0.40 -0.29 0.68 0.02 0.00 0.00 177.57 179.00 3dhb s VAL 158 N -1.99 0.05 0.25 2.57 -7.23 -1.24 -5.05 120.40 107.76 3dhb s VAL 158 Ca -0.13 -1.39 -0.31 0.00 -1.81 0.00 0.00 61.98 58.35 3dhb s VAL 158 Cb -0.02 -1.91 -0.12 0.00 0.56 0.00 0.00 36.38 34.89 3dhb s VAL 158 CO 0.45 -0.23 1.56 -2.65 -0.31 0.00 0.00 175.10 173.92 3dhb n PRO 159 N -0.25 2.46 -0.14 4.82 -0.02 -1.26 -1.08 135.00 139.53 3dhb n PRO 159 Ca -0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3dhb n PRO 159 Cb 0.63 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3dhb n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhb n GLY 160 N 2.57 0.96 2.83 -1.23 0.00 -1.21 -4.53 105.19 104.58 3dhb n GLY 160 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3dhb n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhb s VAL 161 N -2.52 1.27 -0.08 1.61 1.01 -0.24 -0.81 120.40 120.64 3dhb s VAL 161 Ca 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.44 3dhb s VAL 161 Cb 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3dhb s VAL 161 CO 0.00 -0.55 -0.10 -1.10 0.00 0.00 0.00 175.10 173.34 3dhb s GLN 162 N 1.43 2.86 -0.17 2.72 -1.52 -0.12 -1.08 119.66 123.79 3dhb s GLN 162 Ca 0.07 -0.62 -0.08 0.00 -1.95 0.00 0.00 55.36 52.78 3dhb s GLN 162 Cb -0.18 -2.55 -0.04 0.00 -0.22 0.00 0.00 33.01 30.02 3dhb s GLN 162 CO -0.18 0.53 0.10 -0.51 -0.25 0.00 0.00 175.29 174.98 3dhb s LEU 163 N -0.46 4.05 -0.19 2.90 1.43 0.82 -0.75 118.68 126.48 3dhb s LEU 163 Ca 0.06 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3dhb s LEU 163 Cb -0.12 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3dhb s LEU 163 CO 0.02 0.24 -0.06 -0.76 0.23 0.00 0.00 176.35 176.01 3dhb s LEU 164 N -0.00 2.88 -0.15 1.79 1.43 -0.08 -2.02 118.68 122.53 3dhb s LEU 164 Ca 0.08 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 3dhb s LEU 164 Cb -0.12 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3dhb s LEU 164 CO 0.00 0.04 1.43 -0.47 0.23 0.00 0.00 176.35 177.58 3dhb s TYR 165 N 1.10 2.48 -0.42 0.29 6.04 -1.26 -0.77 117.35 124.82 3dhb s TYR 165 Ca 0.01 0.69 0.10 0.00 0.04 0.00 0.00 57.07 57.91 3dhb s TYR 165 Cb -0.15 -3.72 0.32 0.00 -1.04 0.00 0.00 41.96 37.38 3dhb s TYR 165 CO -0.01 -2.51 0.71 0.25 -1.54 0.00 0.00 175.55 172.45 3dhb n THR 166 N 5.59 0.26 -1.29 4.34 -2.24 0.10 -4.92 114.28 116.12 3dhb n THR 166 Ca 0.16 -4.61 -0.30 0.00 -2.27 0.00 0.00 64.05 57.02 3dhb n THR 166 Cb 0.44 -0.93 0.10 0.00 -2.10 0.00 0.00 70.33 67.85 3dhb n THR 166 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dhb s PRO 167 N -2.26 1.97 0.00 -0.78 0.04 -1.15 -4.40 135.00 128.42 3dhb s PRO 167 Ca 0.40 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3dhb s PRO 167 Cb 0.29 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.95 3dhb s PRO 167 CO -0.09 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.56 3dhb n GLY 168 N -1.32 3.00 0.31 0.56 0.00 -1.26 -3.80 105.19 102.68 3dhb n GLY 168 Ca 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.58 3dhb n GLY 168 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dhb h HIS 169 N 0.00 0.92 -3.98 1.61 -0.00 -1.80 0.56 115.15 112.46 3dhb h HIS 169 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.18 3dhb h HIS 169 Cb 0.00 -0.29 -0.15 0.00 -0.00 0.00 0.00 27.41 26.97 3dhb h HIS 169 CO 0.00 0.45 -0.68 -1.54 -0.00 0.00 0.00 177.93 176.16 3dhb s SER 170 N -5.72 0.90 0.57 3.26 1.04 -1.26 -1.10 113.70 111.40 3dhb s SER 170 Ca -0.13 -1.08 0.27 0.00 0.48 0.00 0.00 55.95 55.49 3dhb s SER 170 Cb 0.18 0.15 1.67 0.00 0.10 0.00 0.00 66.02 68.13 3dhb s SER 170 CO 0.78 -0.56 2.21 -0.65 0.98 0.00 0.00 173.24 176.01 3dhb h PRO 171 N 2.91 0.00 -0.34 4.02 0.11 -1.86 -2.96 132.00 133.89 3dhb h PRO 171 Ca -0.35 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.49 3dhb h PRO 171 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 3dhb h PRO 171 CO 0.64 0.02 -0.92 0.41 -0.21 0.00 0.00 178.00 177.93 3dhb n GLY 172 N -1.28 3.31 3.78 -0.55 0.00 -1.26 -4.62 105.19 104.57 3dhb n GLY 172 Ca -0.03 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 3dhb n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dhb s HIS 173 N -2.77 2.68 0.02 1.61 2.46 -1.12 -4.50 115.29 113.67 3dhb s HIS 173 Ca 0.36 1.21 0.03 0.00 0.47 0.00 0.00 55.06 57.14 3dhb s HIS 173 Cb 0.37 -3.96 -0.01 0.00 -0.13 0.00 0.00 32.58 28.84 3dhb s HIS 173 CO -0.06 -2.79 -0.11 1.14 -2.47 0.00 0.00 174.74 170.46 3dhb s GLN 174 N -2.01 0.77 0.43 2.88 -2.07 -0.22 -0.72 119.66 118.73 3dhb s GLN 174 Ca 0.52 -0.55 0.08 0.00 -1.82 0.00 0.00 55.36 53.59 3dhb s GLN 174 Cb -0.45 -0.73 -0.00 0.00 -1.09 0.00 0.00 33.01 30.74 3dhb s GLN 174 CO 0.61 0.19 0.47 -1.12 -1.32 0.00 0.00 175.29 174.12 3dhb s SER 175 N -0.75 5.26 -0.04 12.60 0.01 0.05 -4.61 113.70 126.23 3dhb s SER 175 Ca 0.01 -0.65 0.07 0.00 1.31 0.00 0.00 55.95 56.68 3dhb s SER 175 Cb -0.06 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.64 3dhb s SER 175 CO 0.00 -0.75 -0.25 -0.76 0.41 0.00 0.00 173.24 171.89 3dhb s LEU 176 N -4.25 2.06 -0.24 2.44 1.02 -0.61 -0.90 118.68 118.20 3dhb s LEU 176 Ca 0.51 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 54.20 3dhb s LEU 176 Cb -0.06 -1.34 0.05 0.00 0.02 0.00 0.00 46.19 44.87 3dhb s LEU 176 CO 0.30 0.27 -0.13 0.12 0.02 0.00 0.00 176.35 176.93 3dhb s PHE 177 N -0.33 3.15 -0.02 0.29 2.19 0.07 -0.62 117.98 122.71 3dhb s PHE 177 Ca 0.02 -2.14 0.07 0.00 0.33 0.00 0.00 56.93 55.20 3dhb s PHE 177 Cb -0.12 -1.93 -0.02 0.00 -1.31 0.00 0.00 43.02 39.63 3dhb s PHE 177 CO 0.02 -0.86 -0.23 0.42 1.83 0.00 0.00 175.22 176.40 3dhb s ILE 178 N 1.15 2.35 -0.28 3.12 -1.09 0.36 -0.94 121.20 125.87 3dhb s ILE 178 Ca -0.05 -1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 57.27 3dhb s ILE 178 Cb -0.18 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 38.85 3dhb s ILE 178 CO -0.07 0.55 0.05 -0.70 -1.23 0.00 0.00 174.94 173.54 3dhb s GLU 179 N -0.73 3.07 0.17 2.79 2.56 0.01 -0.11 118.70 126.45 3dhb s GLU 179 Ca 0.11 -0.86 0.06 0.00 0.00 0.00 0.00 54.97 54.28 3dhb s GLU 179 Cb -0.10 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.71 3dhb s GLU 179 CO -0.00 -0.41 0.11 0.95 -0.56 0.00 0.00 175.26 175.34 3dhb s THR 180 N 1.47 4.31 0.29 -1.70 -4.23 -0.14 -0.54 115.64 115.09 3dhb s THR 180 Ca 0.02 -1.18 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3dhb s THR 180 Cb -0.17 -3.20 0.16 0.00 1.34 0.00 0.00 72.50 70.63 3dhb s THR 180 CO 0.01 -0.13 1.84 -0.08 -0.54 0.00 0.00 174.62 175.72 3dhb h GLU 181 N 2.41 0.79 0.00 3.99 4.81 -1.18 -0.96 114.58 124.45 3dhb h GLU 181 Ca -0.47 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 58.42 3dhb h GLU 181 Cb 1.20 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3dhb h GLU 181 CO 0.62 0.72 -1.23 1.96 -0.73 0.00 0.00 179.01 180.34 3dhb h GLN 182 N 0.76 0.00 0.00 1.92 1.08 -1.83 -3.41 115.11 113.64 3dhb h GLN 182 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3dhb h GLN 182 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3dhb h GLN 182 CO -0.00 0.43 -0.32 0.43 -0.95 0.00 0.00 178.83 178.42 3dhb n SER 183 N -3.03 1.59 0.00 1.46 7.64 -1.19 -5.12 113.62 114.97 3dhb n SER 183 Ca -0.07 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.54 3dhb n SER 183 Cb 0.86 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.91 3dhb n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dhb n GLY 184 N 1.33 1.04 3.70 0.23 0.00 -0.37 -4.87 105.19 106.25 3dhb n GLY 184 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3dhb n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhb s SER 185 N -4.00 7.09 -0.06 1.61 0.01 -1.26 -0.97 113.70 116.12 3dhb s SER 185 Ca 0.00 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.17 3dhb s SER 185 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.68 3dhb s SER 185 CO 0.00 -0.51 -0.12 -0.69 0.41 0.00 0.00 173.24 172.33 3dhb s VAL 186 N 1.61 1.11 -0.25 3.43 1.01 0.84 -1.59 120.40 126.55 3dhb s VAL 186 Ca 0.57 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3dhb s VAL 186 Cb -0.27 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3dhb s VAL 186 CO 0.26 0.35 0.06 -0.22 0.00 0.00 0.00 175.10 175.54 3dhb s LEU 187 N 0.68 3.44 -0.47 3.92 2.96 0.03 -0.48 118.68 128.76 3dhb s LEU 187 Ca -0.14 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 3dhb s LEU 187 Cb -0.16 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.72 3dhb s LEU 187 CO 0.04 -0.06 0.39 -0.76 -1.32 0.00 0.00 176.35 174.63 3dhb s LEU 188 N 1.58 5.60 0.49 -0.68 1.43 0.21 -1.05 118.68 126.26 3dhb s LEU 188 Ca 0.06 -1.37 0.25 0.00 -1.03 0.00 0.00 54.13 52.04 3dhb s LEU 188 Cb -0.15 -2.16 1.27 0.00 0.03 0.00 0.00 46.19 45.17 3dhb s LEU 188 CO 0.02 -0.64 2.00 0.71 0.23 0.00 0.00 176.35 178.67 3dhb h THR 189 N 5.80 0.62 0.00 5.49 1.35 -1.51 -1.61 112.91 123.05 3dhb h THR 189 Ca -0.28 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3dhb h THR 189 Cb 1.11 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3dhb h THR 189 CO 0.87 0.16 0.00 -0.38 -0.25 0.00 0.00 175.52 175.92 3dhb n ILE 190 N -3.62 0.00 0.66 6.82 2.08 -1.26 -2.09 119.36 121.95 3dhb n ILE 190 Ca -0.01 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.35 3dhb n ILE 190 Cb 0.29 0.00 0.17 0.00 -0.75 0.00 0.00 39.64 39.35 3dhb n ILE 190 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3dhb n ASP 191 N 1.39 2.26 0.06 4.38 9.92 -1.26 -2.30 116.55 131.01 3dhb n ASP 191 Ca 0.00 -2.12 0.08 0.00 -0.53 0.00 0.00 54.79 52.21 3dhb n ASP 191 Cb 0.00 -0.33 0.34 0.00 -0.64 0.00 0.00 41.12 40.49 3dhb n ASP 191 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dhb n ALA 192 N 0.46 1.49 -3.54 2.24 0.00 -0.89 -4.46 120.51 115.81 3dhb n ALA 192 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3dhb n ALA 192 Cb 0.41 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3dhb n ALA 192 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dhb s SER 193 N -3.47 -1.01 0.15 0.00 0.01 -1.19 -4.76 113.70 103.44 3dhb s SER 193 Ca 0.04 1.31 -0.12 0.00 1.31 0.00 0.00 55.95 58.49 3dhb s SER 193 Cb 0.08 2.12 0.02 0.00 0.21 0.00 0.00 66.02 68.44 3dhb s SER 193 CO 0.25 -0.19 1.59 1.88 0.41 0.00 0.00 173.24 177.18 3dhb h TYR 194 N 7.87 1.02 -3.01 2.43 0.05 -1.78 -1.56 116.97 122.00 3dhb h TYR 194 Ca -0.18 -0.20 -0.43 0.00 0.05 0.00 0.00 58.73 57.98 3dhb h TYR 194 Cb 1.11 -0.26 -0.14 0.00 1.01 0.00 0.00 36.73 38.45 3dhb h TYR 194 CO 0.16 0.96 -0.67 0.95 -1.05 0.00 0.00 178.16 178.52 3dhb s THR 195 N -4.92 1.33 0.26 -2.88 -4.23 -1.26 -0.51 115.64 103.43 3dhb s THR 195 Ca -0.12 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 3dhb s THR 195 Cb 0.12 -2.35 0.24 0.00 1.34 0.00 0.00 72.50 71.84 3dhb s THR 195 CO 0.84 -0.35 1.77 0.50 -0.54 0.00 0.00 174.62 176.84 3dhb h LYS 196 N 2.41 0.63 0.00 3.99 3.64 -1.96 -1.78 116.57 123.51 3dhb h LYS 196 Ca -0.39 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 3dhb h LYS 196 Cb 1.23 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3dhb h LYS 196 CO 0.66 0.42 -0.40 1.05 -2.27 0.00 0.00 179.45 178.90 3dhb h GLU 197 N 0.65 0.00 -0.39 1.90 4.11 -1.96 0.17 114.58 119.06 3dhb h GLU 197 Ca 0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.86 3dhb h GLU 197 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3dhb h GLU 197 CO -0.34 0.40 0.14 -0.91 0.07 0.00 0.00 179.01 178.37 3dhb h ASN 198 N 0.00 0.51 0.00 3.06 -0.26 -1.51 -1.38 115.58 115.99 3dhb h ASN 198 Ca -0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3dhb h ASN 198 Cb 0.78 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 3dhb h ASN 198 CO 0.05 0.48 -0.14 0.15 -1.06 0.00 0.00 177.43 176.91 3dhb h PHE 199 N 0.56 0.00 -0.34 1.19 3.04 -1.08 -2.92 116.94 117.39 3dhb h PHE 199 Ca 0.14 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 3dhb h PHE 199 Cb 0.15 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 3dhb h PHE 199 CO 0.01 0.00 -0.01 0.93 -2.02 0.00 0.00 178.31 177.21 3dhb h GLU 200 N -0.71 0.61 -0.03 1.11 4.39 -0.81 -3.19 114.58 115.95 3dhb h GLU 200 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3dhb h GLU 200 Cb 0.14 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3dhb h GLU 200 CO 0.00 0.74 -0.13 -0.25 -1.16 0.00 0.00 179.01 178.20 3dhb n ASP 201 N -4.50 2.67 -3.07 1.42 8.00 -0.58 -4.97 116.55 115.52 3dhb n ASP 201 Ca -0.02 -1.84 -0.22 0.00 0.71 0.00 0.00 54.79 53.41 3dhb n ASP 201 Cb 0.28 0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3dhb n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dhb n GLU 202 N 0.92 -4.54 -2.18 -1.24 1.02 -0.84 -4.91 120.64 108.87 3dhb n GLU 202 Ca 0.13 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.67 3dhb n GLU 202 Cb 0.55 -5.65 -0.03 0.00 -0.02 0.00 0.00 31.44 26.30 3dhb n GLU 202 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dhb s VAL 203 N -3.12 3.77 0.57 2.62 1.01 -1.00 -4.97 120.40 119.27 3dhb s VAL 203 Ca 0.32 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 3dhb s VAL 203 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3dhb s VAL 203 CO 0.39 -0.06 1.27 -2.16 0.00 0.00 0.00 175.10 174.55 3dhb s PRO 204 N 3.26 3.06 0.30 2.72 0.04 -1.26 -4.29 135.00 138.82 3dhb s PRO 204 Ca 0.66 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.69 3dhb s PRO 204 Cb -0.30 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3dhb s PRO 204 CO 0.25 -1.19 0.38 -0.59 0.04 0.00 0.00 177.00 175.89 3dhb s PHE 205 N -1.44 1.11 0.31 0.56 -0.12 -1.26 -0.54 117.98 116.60 3dhb s PHE 205 Ca 0.74 -1.30 -0.30 0.00 -0.05 0.00 0.00 56.93 56.03 3dhb s PHE 205 Cb -0.35 -0.25 -0.12 0.00 -0.63 0.00 0.00 43.02 41.67 3dhb s PHE 205 CO 0.40 -0.98 1.55 0.00 -0.05 0.00 0.00 175.22 176.14 3dhb n ALA 206 N -0.50 2.35 -3.58 1.99 0.00 -0.22 -4.91 120.51 115.65 3dhb n ALA 206 Ca 0.02 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 3dhb n ALA 206 Cb 0.62 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3dhb n ALA 206 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dhb s GLY 207 N 0.34 -0.28 0.21 0.00 0.00 -1.26 -4.84 107.32 101.49 3dhb s GLY 207 Ca 0.62 1.66 -0.08 0.00 0.00 0.00 0.00 44.72 46.92 3dhb s GLY 207 CO 0.52 0.59 1.81 -2.75 0.00 0.00 0.00 173.10 173.27 3dhb h PHE 208 N 2.05 1.17 -2.18 1.90 3.57 -0.65 -3.40 116.94 119.40 3dhb h PHE 208 Ca -0.11 -0.06 -0.43 0.00 3.53 0.00 0.00 57.97 60.89 3dhb h PHE 208 Cb 1.18 -0.36 -0.34 0.00 2.79 0.00 0.00 35.95 39.22 3dhb h PHE 208 CO 0.27 0.85 -0.73 0.34 -2.23 0.00 0.00 178.31 176.81 3dhb s ASP 209 N -6.25 1.80 0.45 0.41 3.68 0.15 -5.02 116.67 111.89 3dhb s ASP 209 Ca -0.13 -1.69 0.15 0.00 2.13 0.00 0.00 52.55 53.01 3dhb s ASP 209 Cb 0.16 0.25 1.08 0.00 -1.45 0.00 0.00 42.92 42.96 3dhb s ASP 209 CO 0.83 -0.29 2.00 -0.65 0.13 0.00 0.00 175.17 177.19 3dhb h PRO 210 N 7.18 0.33 -0.36 4.34 0.11 -1.79 0.49 132.00 142.30 3dhb h PRO 210 Ca 0.03 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3dhb h PRO 210 Cb 1.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3dhb h PRO 210 CO 0.24 0.22 -0.02 1.49 -0.21 0.00 0.00 178.00 179.72 3dhb h GLU 211 N 0.34 0.64 -0.32 1.05 4.81 -1.95 -0.73 114.58 118.42 3dhb h GLU 211 Ca 0.24 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3dhb h GLU 211 Cb 0.49 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3dhb h GLU 211 CO -0.06 0.76 -0.23 1.25 -0.73 0.00 0.00 179.01 180.01 3dhb h LEU 212 N 0.45 0.63 -0.83 1.64 5.85 -1.76 -1.84 115.31 119.44 3dhb h LEU 212 Ca 0.10 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3dhb h LEU 212 Cb 0.48 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3dhb h LEU 212 CO 0.02 0.85 0.46 0.00 -0.34 0.00 0.00 178.44 179.43 3dhb h ALA 213 N 1.20 1.07 -0.50 1.25 0.00 -0.60 -0.78 119.26 120.90 3dhb h ALA 213 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dhb h ALA 213 Cb 0.69 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dhb h ALA 213 CO 0.05 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.29 3dhb h LEU 214 N 1.16 0.71 -1.50 0.00 5.85 -0.77 -1.04 115.31 119.71 3dhb h LEU 214 Ca 0.29 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3dhb h LEU 214 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3dhb h LEU 214 CO -0.05 0.72 0.13 0.77 -0.34 0.00 0.00 178.44 179.67 3dhb h SER 215 N 0.67 0.42 -0.05 1.25 4.64 -0.86 0.36 113.55 119.97 3dhb h SER 215 Ca 0.16 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3dhb h SER 215 Cb 0.25 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3dhb h SER 215 CO -0.01 0.38 -0.53 0.28 -0.87 0.00 0.00 176.83 176.09 3dhb h SER 216 N 0.47 0.69 -0.58 4.97 0.02 -0.77 -1.10 113.55 117.25 3dhb h SER 216 Ca 0.12 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3dhb h SER 216 Cb 0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3dhb h SER 216 CO -0.01 1.09 0.33 0.40 -1.14 0.00 0.00 176.83 177.50 3dhb h ILE 217 N 0.49 1.18 -0.63 3.27 2.04 -0.46 -0.57 117.51 122.83 3dhb h ILE 217 Ca 0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3dhb h ILE 217 Cb 1.08 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3dhb h ILE 217 CO 0.10 0.19 0.29 0.11 0.00 0.00 0.00 178.15 178.85 3dhb h LYS 218 N 0.78 0.89 -0.28 2.37 1.79 -0.74 0.18 116.57 121.56 3dhb h LYS 218 Ca 0.21 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3dhb h LYS 218 Cb 0.02 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 3dhb h LYS 218 CO -0.04 0.69 0.03 -0.09 -1.08 0.00 0.00 179.45 178.97 3dhb h ARG 219 N 0.89 0.47 -0.77 3.15 2.43 -0.86 -2.18 114.38 117.51 3dhb h ARG 219 Ca 0.22 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3dhb h ARG 219 Cb 0.10 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3dhb h ARG 219 CO -0.03 0.60 0.51 -0.07 -1.51 0.00 0.00 179.97 179.47 3dhb h LEU 220 N 0.28 0.81 -1.33 3.80 3.38 -0.65 -1.72 115.31 119.87 3dhb h LEU 220 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dhb h LEU 220 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3dhb h LEU 220 CO 0.01 0.55 0.06 0.11 0.09 0.00 0.00 178.44 179.26 3dhb h LYS 221 N 0.93 0.51 -0.45 1.13 1.57 -0.55 0.11 116.57 119.83 3dhb h LYS 221 Ca 0.31 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3dhb h LYS 221 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dhb h LYS 221 CO -0.09 0.49 0.01 0.93 -0.57 0.00 0.00 179.45 180.22 3dhb h GLU 222 N 0.50 0.79 -0.69 3.15 4.39 -0.72 -1.01 114.58 121.00 3dhb h GLU 222 Ca 0.12 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3dhb h GLU 222 Cb 0.23 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3dhb h GLU 222 CO 0.00 0.85 0.45 0.28 -1.16 0.00 0.00 179.01 179.43 3dhb h VAL 223 N 0.64 1.15 -0.62 3.13 2.07 -0.83 -2.50 116.25 119.30 3dhb h VAL 223 Ca 0.13 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3dhb h VAL 223 Cb 0.48 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3dhb h VAL 223 CO 0.02 0.17 0.14 0.58 0.02 0.00 0.00 177.57 178.50 3dhb h VAL 224 N 0.91 1.25 -0.83 2.57 2.07 -0.59 0.12 116.25 121.75 3dhb h VAL 224 Ca 0.26 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3dhb h VAL 224 Cb -0.07 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3dhb h VAL 224 CO -0.07 0.34 0.41 0.11 0.02 0.00 0.00 177.57 178.39 3dhb h LYS 225 N 0.93 1.19 -0.05 1.57 1.57 -0.94 0.24 116.57 121.07 3dhb h LYS 225 Ca 0.20 -0.17 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 3dhb h LYS 225 Cb 0.35 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3dhb h LYS 225 CO 0.00 0.91 -0.73 0.87 -0.57 0.00 0.00 179.45 179.93 3dhb h LYS 226 N 1.18 0.57 0.00 3.15 1.57 -1.03 -3.39 116.57 118.62 3dhb h LYS 226 Ca 0.29 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3dhb h LYS 226 Cb 0.10 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dhb h LYS 226 CO -0.04 1.18 -1.44 0.39 -0.57 0.00 0.00 179.45 178.97 3dhb n GLU 227 N -4.08 0.82 -3.98 3.15 -0.58 0.39 -5.02 120.64 111.33 3dhb n GLU 227 Ca -0.10 -0.10 -0.31 0.00 -0.42 0.00 0.00 57.16 56.23 3dhb n GLU 227 Cb 0.73 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 30.20 3dhb n GLU 227 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dhb n LYS 228 N -1.85 -1.96 -1.82 3.49 5.02 0.82 -4.90 118.16 116.95 3dhb n LYS 228 Ca -0.01 0.31 -0.30 0.00 -2.02 0.00 0.00 58.31 56.29 3dhb n LYS 228 Cb 0.39 -3.96 0.08 0.00 -0.02 0.00 0.00 35.03 31.52 3dhb n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dhb s PRO 229 N -6.72 2.27 0.17 1.97 0.04 -1.26 -4.89 135.00 126.57 3dhb s PRO 229 Ca 0.17 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.26 3dhb s PRO 229 Cb -0.08 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3dhb s PRO 229 CO 0.92 -1.43 0.89 0.96 0.04 0.00 0.00 177.00 178.38 3dhb s ILE 230 N -3.42 4.30 -0.09 0.56 -4.36 -0.62 -4.87 121.20 112.71 3dhb s ILE 230 Ca 0.60 1.95 0.04 0.00 -0.26 0.00 0.00 60.65 62.98 3dhb s ILE 230 Cb -0.12 -4.26 -0.01 0.00 1.25 0.00 0.00 42.46 39.33 3dhb s ILE 230 CO 0.51 0.45 -0.22 -0.63 0.24 0.00 0.00 174.94 175.30 3dhb s ILE 231 N -0.80 2.30 -0.07 8.37 1.01 -1.26 -0.79 121.20 129.96 3dhb s ILE 231 Ca 0.41 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3dhb s ILE 231 Cb -0.24 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3dhb s ILE 231 CO 0.29 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 175.26 3dhb s PHE 232 N 0.14 1.86 0.45 3.97 0.40 -0.21 -4.99 117.98 119.61 3dhb s PHE 232 Ca -0.12 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 3dhb s PHE 232 Cb -0.16 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.10 3dhb s PHE 232 CO 0.06 -0.27 0.65 -0.06 0.70 0.00 0.00 175.22 176.30 3dhb s PHE 233 N 0.34 3.00 0.12 0.36 0.08 -1.26 -1.42 117.98 119.19 3dhb s PHE 233 Ca -0.12 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 3dhb s PHE 233 Cb -0.15 -2.41 -0.10 0.00 -0.57 0.00 0.00 43.02 39.79 3dhb s PHE 233 CO 0.05 -0.48 1.38 0.78 -0.10 0.00 0.00 175.22 176.85 3dhb h GLY 234 N 0.43 0.94 -5.38 4.36 0.00 -0.85 -3.40 103.07 99.18 3dhb h GLY 234 Ca -0.43 -1.14 -0.34 0.00 0.00 0.00 0.00 47.33 45.42 3dhb h GLY 234 CO 0.52 1.02 -0.72 1.42 0.00 0.00 0.00 176.54 178.78 3dhb n HIS 235 N -4.01 -2.00 -3.85 5.60 8.25 0.34 -4.75 115.22 114.79 3dhb n HIS 235 Ca -0.05 -2.58 -0.35 0.00 -0.26 0.00 0.00 57.72 54.47 3dhb n HIS 235 Cb 0.64 0.86 -0.13 0.00 1.12 0.00 0.00 29.99 32.48 3dhb n HIS 235 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dhb s ASP 236 N -1.60 5.05 0.25 0.41 -1.08 -1.13 -4.55 116.67 114.02 3dhb s ASP 236 Ca 0.31 -1.52 -0.04 0.00 -0.52 0.00 0.00 52.55 50.78 3dhb s ASP 236 Cb 0.26 -1.76 0.28 0.00 -1.46 0.00 0.00 42.92 40.23 3dhb s ASP 236 CO -0.13 -0.36 1.79 0.40 0.52 0.00 0.00 175.17 177.39 3dhb h ILE 237 N 6.41 1.24 -0.06 4.11 2.04 -1.93 -0.78 117.51 128.55 3dhb h ILE 237 Ca -0.18 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3dhb h ILE 237 Cb 1.06 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3dhb h ILE 237 CO 0.59 0.33 -0.01 -0.33 0.00 0.00 0.00 178.15 178.73 3dhb h GLU 238 N 0.95 0.11 -0.24 2.37 4.39 -2.00 -3.13 114.58 117.03 3dhb h GLU 238 Ca 0.21 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 3dhb h GLU 238 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3dhb h GLU 238 CO -0.01 0.41 -0.09 0.37 -1.16 0.00 0.00 179.01 178.53 3dhb h GLN 239 N -0.20 0.39 -0.79 2.33 4.15 -1.94 -2.61 115.11 116.44 3dhb h GLN 239 Ca 0.02 -0.09 0.17 0.00 0.77 0.00 0.00 58.65 59.51 3dhb h GLN 239 Cb 0.37 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 3dhb h GLN 239 CO 0.00 0.49 0.53 1.49 -1.93 0.00 0.00 178.83 179.41 3dhb h GLU 240 N 0.37 0.37 0.00 1.69 4.81 -1.09 -1.31 114.58 119.43 3dhb h GLU 240 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3dhb h GLU 240 Cb 0.40 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3dhb h GLU 240 CO 0.02 0.25 -0.08 0.87 -0.73 0.00 0.00 179.01 179.34 3dhb h LYS 241 N 0.38 0.00 -0.01 1.92 1.57 -1.50 -2.83 116.57 116.11 3dhb h LYS 241 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3dhb h LYS 241 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3dhb h LYS 241 CO -0.12 0.08 -0.40 -1.13 -0.57 0.00 0.00 179.45 177.30 3dhb n SER 242 N -4.44 1.29 -4.72 0.86 3.41 -0.53 -4.99 113.62 104.50 3dhb n SER 242 Ca -0.03 -1.14 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 3dhb n SER 242 Cb 0.16 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3dhb n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dhb s ARG 244 N 1.12 4.25 0.26 0.00 0.52 -1.26 -5.02 118.95 118.81 3dhb s ARG 244 Ca 0.68 2.00 0.11 0.00 -0.52 0.00 0.00 55.73 58.00 3dhb s ARG 244 Cb -0.41 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.33 3dhb s ARG 244 CO 0.31 -0.66 -0.20 0.14 0.02 0.00 0.00 175.30 174.91 3dhb s VAL 245 N 2.88 2.35 0.09 3.52 -7.23 -1.26 -4.46 120.40 116.29 3dhb s VAL 245 Ca 0.65 -2.32 -0.36 0.00 -1.81 0.00 0.00 61.98 58.14 3dhb s VAL 245 Cb -0.31 -2.23 -0.18 0.00 0.56 0.00 0.00 36.38 34.22 3dhb s VAL 245 CO 0.26 -0.39 1.03 0.33 -0.31 0.00 0.00 175.10 176.03 3dhb n PHE 246 N -0.45 0.71 1.74 2.82 -0.00 -0.34 -0.60 117.46 121.35 3dhb n PHE 246 Ca -0.07 0.90 0.15 0.00 -0.00 0.00 0.00 57.45 58.43 3dhb n PHE 246 Cb 0.59 -2.14 0.74 0.00 -0.00 0.00 0.00 39.48 38.67 3dhb n PHE 246 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3dhb n PRO 247 N 1.61 1.31 -1.68 -7.13 -0.04 -1.26 -5.03 135.00 122.78 3dhb n PRO 247 Ca 0.18 -0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 62.86 3dhb n PRO 247 Cb 0.16 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.18 3dhb n PRO 247 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dhb s GLU 248 N -2.02 2.93 0.17 0.54 2.02 0.23 -5.06 118.70 117.52 3dhb s GLU 248 Ca 0.43 1.10 -0.06 0.00 0.02 0.00 0.00 54.97 56.46 3dhb s GLU 248 Cb 0.21 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 3dhb s GLU 248 CO 0.36 -1.11 0.21 1.52 0.02 0.00 0.00 175.26 176.26 3dhb s TYR 249 N -2.78 0.69 0.00 1.61 1.13 -1.26 -4.44 117.35 112.29 3dhb s TYR 249 Ca 0.61 -1.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 3dhb s TYR 249 Cb -0.16 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 3dhb s TYR 249 CO 0.48 -0.68 0.44 0.44 -2.51 0.00 0.00 175.55 173.72