#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxb n THR 2 N 0.00 0.00 -2.76 5.18 5.66 -1.26 -4.49 114.28 116.60 3fxb n THR 2 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 3fxb n THR 2 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 3fxb n THR 2 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3fxb n TRP 3 N 0.00 -3.68 -3.54 1.09 7.02 -1.26 -4.30 117.44 112.77 3fxb n TRP 3 Ca 0.00 1.56 -0.35 0.00 -1.02 0.00 0.00 57.50 57.70 3fxb n TRP 3 Cb 0.00 -4.02 -0.05 0.00 -2.42 0.00 0.00 31.31 24.82 3fxb n TRP 3 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fxb s ARG 4 N -2.10 3.79 -0.06 -0.99 0.52 -1.26 -1.99 118.95 116.85 3fxb s ARG 4 Ca 0.13 0.22 -0.02 0.00 -0.52 0.00 0.00 55.73 55.53 3fxb s ARG 4 Cb -0.04 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.50 3fxb s ARG 4 CO 0.76 0.54 0.06 -0.47 0.02 0.00 0.00 175.30 176.21 3fxb s TYR 5 N -1.43 0.16 -0.01 -0.53 6.04 -0.10 -0.78 117.35 120.69 3fxb s TYR 5 Ca 0.35 0.12 0.07 0.00 0.04 0.00 0.00 57.07 57.65 3fxb s TYR 5 Cb -0.14 -0.55 -0.02 0.00 -1.04 0.00 0.00 41.96 40.21 3fxb s TYR 5 CO 0.19 -0.25 -0.23 0.00 -1.54 0.00 0.00 175.55 173.72 3fxb s ALA 6 N 2.14 1.89 0.30 3.97 0.00 -0.58 -0.18 121.76 129.30 3fxb s ALA 6 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3fxb s ALA 6 Cb -0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3fxb s ALA 6 CO -0.04 0.46 0.16 -0.59 0.00 0.00 0.00 175.76 175.75 3fxb s PHE 7 N -0.55 1.57 -2.12 0.00 -0.71 -1.03 -1.22 117.98 113.92 3fxb s PHE 7 Ca 0.09 -1.38 0.26 0.00 -1.04 0.00 0.00 56.93 54.86 3fxb s PHE 7 Cb -0.09 -0.83 0.65 0.00 -1.21 0.00 0.00 43.02 41.54 3fxb s PHE 7 CO -0.01 -0.54 1.50 0.39 -1.34 0.00 0.00 175.22 175.23 3fxb n GLU 8 N -0.56 1.27 -3.78 1.99 1.02 -1.26 -3.15 120.64 116.17 3fxb n GLU 8 Ca 0.01 -0.85 -0.20 0.00 -0.02 0.00 0.00 57.16 56.11 3fxb n GLU 8 Cb 0.65 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 3fxb n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fxb n GLU 9 N -0.13 0.85 -1.72 3.49 1.02 -1.26 -4.59 120.64 118.30 3fxb n GLU 9 Ca 0.14 -2.52 -0.29 0.00 -0.02 0.00 0.00 57.16 54.46 3fxb n GLU 9 Cb 0.40 1.10 0.11 0.00 -0.02 0.00 0.00 31.44 33.03 3fxb n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fxb s ALA 10 N -2.73 2.23 0.36 0.62 0.00 -1.26 -1.04 121.76 119.94 3fxb s ALA 10 Ca 0.09 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.53 3fxb s ALA 10 Cb 0.00 -3.00 0.67 0.00 0.00 0.00 0.00 23.12 20.80 3fxb s ALA 10 CO 0.07 -1.95 1.92 0.52 0.00 0.00 0.00 175.76 176.32 3fxb h MET 11 N -1.26 0.52 -0.00 0.00 2.86 -1.93 -2.84 114.93 112.29 3fxb h MET 11 Ca -0.48 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 3fxb h MET 11 Cb 1.33 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3fxb h MET 11 CO 0.64 0.50 -0.35 2.41 1.06 0.00 0.00 176.91 181.17 3fxb n THR 12 N -4.33 0.00 -1.66 2.22 -1.04 -1.26 -3.69 114.28 104.52 3fxb n THR 12 Ca 0.02 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.83 3fxb n THR 12 Cb 0.20 0.04 0.13 0.00 -1.82 0.00 0.00 70.33 68.88 3fxb n THR 12 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3fxb n ASP 13 N -1.46 0.11 -0.08 8.00 8.00 -1.07 -4.79 116.55 125.26 3fxb n ASP 13 Ca 0.06 -1.34 -0.15 0.00 0.71 0.00 0.00 54.79 54.08 3fxb n ASP 13 Cb 0.33 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3fxb n ASP 13 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fxb h VAL 14 N -1.46 1.29 0.00 2.53 2.07 -1.89 -1.92 116.25 116.87 3fxb h VAL 14 Ca -0.28 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 3fxb h VAL 14 Cb 0.78 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3fxb h VAL 14 CO 0.20 0.54 -0.18 1.56 0.02 0.00 0.00 177.57 179.72 3fxb h GLN 15 N 0.57 0.00 -0.22 1.57 4.20 -1.93 -2.40 115.11 116.91 3fxb h GLN 15 Ca 0.02 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 3fxb h GLN 15 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3fxb h GLN 15 CO 0.11 0.18 -0.66 0.78 -0.67 0.00 0.00 178.83 178.57 3fxb h GLY 16 N 1.59 0.90 1.13 3.46 0.00 -1.55 -2.11 103.07 106.49 3fxb h GLY 16 Ca -0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.14 3fxb h GLY 16 CO 0.02 1.03 0.36 -2.08 0.00 0.00 0.00 176.54 175.87 3fxb h VAL 17 N 0.59 1.25 0.04 4.60 2.07 -0.94 -0.20 116.25 123.66 3fxb h VAL 17 Ca -0.02 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3fxb h VAL 17 Cb 1.28 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3fxb h VAL 17 CO 0.14 0.30 -0.02 0.22 0.02 0.00 0.00 177.57 178.23 3fxb h TYR 18 N 1.11 -0.05 -0.45 1.57 3.20 -1.47 -2.72 116.97 118.17 3fxb h TYR 18 Ca 0.27 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.20 3fxb h TYR 18 Cb 0.13 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3fxb h TYR 18 CO 0.01 0.24 0.13 0.00 -1.64 0.00 0.00 178.16 176.90 3fxb h ALA 19 N 0.61 0.52 0.00 1.82 0.00 -1.06 -0.60 119.26 120.55 3fxb h ALA 19 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3fxb h ALA 19 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fxb h ALA 19 CO 0.01 -0.27 -0.36 1.96 0.00 0.00 0.00 179.25 180.59 3fxb h GLN 20 N 0.28 0.00 0.07 0.00 4.20 -1.06 0.16 115.11 118.77 3fxb h GLN 20 Ca 0.21 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.66 3fxb h GLN 20 Cb 0.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.03 3fxb h GLN 20 CO -0.25 0.36 -1.11 -0.22 -0.67 0.00 0.00 178.83 176.94 3fxb h LYS 21 N 0.00 0.46 -0.62 1.46 1.63 -1.13 -1.96 116.57 116.41 3fxb h LYS 21 Ca -0.00 -0.59 -0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3fxb h LYS 21 Cb 0.64 0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 3fxb h LYS 21 CO 0.05 1.23 0.38 0.35 -3.45 0.00 0.00 179.45 178.00 3fxb h PHE 22 N 0.22 0.82 -0.50 1.91 3.57 -0.66 -1.37 116.94 120.94 3fxb h PHE 22 Ca -0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 3fxb h PHE 22 Cb 1.78 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 3fxb h PHE 22 CO 0.08 0.56 0.20 -0.22 -2.23 0.00 0.00 178.31 176.71 3fxb h LYS 23 N 0.85 0.74 -0.19 1.11 3.64 -0.69 -2.02 116.57 120.02 3fxb h LYS 23 Ca 0.22 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3fxb h LYS 23 Cb -0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3fxb h LYS 23 CO -0.04 0.66 0.05 0.93 -2.27 0.00 0.00 179.45 178.78 3fxb h GLU 24 N 0.67 0.13 -0.39 1.90 5.08 -1.14 -2.05 114.58 118.78 3fxb h GLU 24 Ca 0.17 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 3fxb h GLU 24 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3fxb h GLU 24 CO -0.01 0.08 -0.35 1.49 -1.00 0.00 0.00 179.01 179.22 3fxb h GLU 25 N 0.13 0.93 0.05 2.33 4.57 -1.15 -0.59 114.58 120.85 3fxb h GLU 25 Ca 0.08 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3fxb h GLU 25 Cb 0.06 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3fxb h GLU 25 CO -0.10 1.13 -0.04 0.82 -1.18 0.00 0.00 179.01 179.64 3fxb h ILE 26 N 0.74 0.90 0.00 2.32 1.08 -1.37 -3.16 117.51 118.02 3fxb h ILE 26 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 3fxb h ILE 26 Cb 0.95 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 3fxb h ILE 26 CO 0.09 0.00 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.13 3fxb h GLU 27 N -0.10 0.00 0.00 2.37 5.08 -1.20 -2.90 114.58 117.82 3fxb h GLU 27 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fxb h GLU 27 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fxb h GLU 27 CO -0.01 0.09 -0.27 0.00 -1.00 0.00 0.00 179.01 177.83 3fxb h ALA 28 N 1.91 0.82 0.00 3.43 0.00 -1.10 -3.36 119.26 120.96 3fxb h ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fxb h ALA 28 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fxb h ALA 28 CO 0.01 0.00 -0.08 0.09 0.00 0.00 0.00 179.25 179.28 3fxb n ASN 29 N -2.23 1.64 -2.67 0.00 3.02 -1.13 -5.08 115.26 108.81 3fxb n ASN 29 Ca 0.04 -2.38 -0.05 0.00 -0.03 0.00 0.00 54.58 52.17 3fxb n ASN 29 Cb 0.44 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3fxb n ASN 29 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fxb n SER 30 N -0.79 -1.66 -0.21 6.41 3.41 -1.11 -5.01 113.62 114.65 3fxb n SER 30 Ca 0.07 -2.03 0.12 0.00 -0.26 0.00 0.00 58.87 56.77 3fxb n SER 30 Cb 0.52 2.74 0.24 0.00 -0.26 0.00 0.00 64.21 67.44 3fxb n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxb n ASP 31 N -1.31 1.08 -4.77 4.04 10.43 -1.26 -4.78 116.55 119.98 3fxb n ASP 31 Ca -0.05 -0.87 -0.32 0.00 2.57 0.00 0.00 54.79 56.12 3fxb n ASP 31 Cb 0.48 0.29 0.06 0.00 1.84 0.00 0.00 41.12 43.80 3fxb n ASP 31 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3fxb s HIS 32 N -2.65 2.63 -0.02 1.24 3.76 -1.26 -4.44 115.29 114.54 3fxb s HIS 32 Ca 0.19 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 56.65 3fxb s HIS 32 Cb 0.18 -3.12 0.02 0.00 1.11 0.00 0.00 32.58 30.77 3fxb s HIS 32 CO 0.60 -1.70 -0.01 -2.00 -0.85 0.00 0.00 174.74 170.79 3fxb s GLU 33 N -4.35 0.29 -0.13 1.40 2.12 -1.26 -4.37 118.70 112.40 3fxb s GLU 33 Ca 0.65 0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.90 3fxb s GLU 33 Cb -0.19 -0.43 -0.05 0.00 0.26 0.00 0.00 34.13 33.72 3fxb s GLU 33 CO 0.46 -0.09 0.25 0.42 -0.54 0.00 0.00 175.26 175.76 3fxb s ILE 34 N 0.80 5.32 -0.23 -3.70 1.09 -1.26 -4.31 121.20 118.91 3fxb s ILE 34 Ca -0.08 0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 59.88 3fxb s ILE 34 Cb -0.11 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.70 3fxb s ILE 34 CO -0.01 0.48 0.02 -1.58 -0.10 0.00 0.00 174.94 173.75 3fxb s GLN 35 N -0.16 3.54 0.10 2.79 2.00 -0.84 -5.04 119.66 122.05 3fxb s GLN 35 Ca 0.16 -0.54 -0.13 0.00 -2.00 0.00 0.00 55.36 52.86 3fxb s GLN 35 Cb -0.13 -3.16 -0.06 0.00 0.80 0.00 0.00 33.01 30.45 3fxb s GLN 35 CO 0.05 -0.16 0.47 -0.51 -0.50 0.00 0.00 175.29 174.64 3fxb s LEU 36 N 1.45 4.37 -0.37 3.68 1.02 -1.26 -0.92 118.68 126.65 3fxb s LEU 36 Ca 0.05 0.94 0.01 0.00 0.02 0.00 0.00 54.13 55.16 3fxb s LEU 36 Cb -0.15 -3.05 0.15 0.00 0.02 0.00 0.00 46.19 43.16 3fxb s LEU 36 CO 0.01 0.17 0.24 -0.36 0.02 0.00 0.00 176.35 176.43 3fxb s PHE 37 N -1.38 0.86 1.11 0.29 0.08 0.75 -4.92 117.98 114.77 3fxb s PHE 37 Ca 0.34 -1.82 -0.15 0.00 0.12 0.00 0.00 56.93 55.42 3fxb s PHE 37 Cb -0.15 -0.96 0.24 0.00 -0.57 0.00 0.00 43.02 41.59 3fxb s PHE 37 CO 0.18 -0.83 1.08 -2.14 -0.10 0.00 0.00 175.22 173.41 3fxb s PRO 38 N 0.80 -0.44 0.35 0.24 0.02 -1.26 -2.47 135.00 132.24 3fxb s PRO 38 Ca 0.21 0.36 -0.29 0.00 0.02 0.00 0.00 61.00 61.31 3fxb s PRO 38 Cb -0.17 -1.65 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 3fxb s PRO 38 CO -0.04 -3.28 1.51 -0.47 -0.33 0.00 0.00 177.00 174.39 3fxb s TYR 39 N -2.88 2.64 0.00 6.54 5.04 -0.21 -2.83 117.35 125.65 3fxb s TYR 39 Ca 0.67 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 3fxb s TYR 39 Cb -0.17 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.11 3fxb s TYR 39 CO 0.58 -3.12 0.00 0.41 -1.34 0.00 0.00 175.55 172.08 3fxb n GLY 40 N 0.90 2.16 3.58 8.97 0.00 -1.26 -4.76 105.19 114.77 3fxb n GLY 40 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3fxb n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fxb s THR 41 N -2.08 3.42 0.00 2.61 -4.23 -1.13 -4.75 115.64 109.48 3fxb s THR 41 Ca 0.00 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3fxb s THR 41 Cb 0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3fxb s THR 41 CO 0.00 0.20 0.00 0.18 -0.54 0.00 0.00 174.62 174.46 3fxb n LEU 42 N 0.96 0.00 0.00 4.79 4.77 -1.26 -4.85 117.00 121.41 3fxb n LEU 42 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3fxb n LEU 42 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3fxb n LEU 42 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3fxb n GLY 43 N -1.14 -1.34 3.65 -0.72 0.00 -1.26 -4.68 105.19 99.71 3fxb n GLY 43 Ca 0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 3fxb n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fxb s GLU 44 N 0.00 0.04 0.25 1.61 0.41 -1.26 -4.66 118.70 115.09 3fxb s GLU 44 Ca 0.00 0.41 -0.04 0.00 -0.41 0.00 0.00 54.97 54.93 3fxb s GLU 44 Cb 0.00 -1.70 0.36 0.00 -1.78 0.00 0.00 34.13 31.01 3fxb s GLU 44 CO 0.00 -2.97 1.87 1.03 -0.49 0.00 0.00 175.26 174.70 3fxb h SER 45 N -2.06 0.97 -0.45 -0.19 0.87 -1.95 -1.20 113.55 109.53 3fxb h SER 45 Ca -0.54 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 3fxb h SER 45 Cb 1.33 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3fxb h SER 45 CO 0.54 0.63 0.26 0.00 -0.53 0.00 0.00 176.83 177.73 3fxb h ALA 46 N 1.42 1.57 -0.08 6.23 0.00 -1.98 -2.64 119.26 123.79 3fxb h ALA 46 Ca 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fxb h ALA 46 Cb 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fxb h ALA 46 CO -0.16 0.36 -0.07 -0.44 0.00 0.00 0.00 179.25 178.94 3fxb h ASP 47 N 0.66 0.20 0.23 0.00 5.19 -1.57 -2.92 116.42 118.22 3fxb h ASP 47 Ca 0.17 -0.47 -0.11 0.00 -0.62 0.00 0.00 57.03 55.99 3fxb h ASP 47 Cb 0.01 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3fxb h ASP 47 CO -0.03 0.63 -0.44 0.16 -3.12 0.00 0.00 179.24 176.45 3fxb h ILE 48 N -0.23 1.32 -0.57 0.35 3.07 -1.40 -1.49 117.51 118.56 3fxb h ILE 48 Ca 0.01 -1.59 -0.02 0.00 1.55 0.00 0.00 64.86 64.82 3fxb h ILE 48 Cb 0.57 1.72 -0.03 0.00 -0.27 0.00 0.00 36.82 38.82 3fxb h ILE 48 CO 0.02 0.47 0.28 -0.03 -1.05 0.00 0.00 178.15 177.84 3fxb h MET 49 N 0.21 0.82 -0.86 0.16 4.05 -1.53 0.89 114.93 118.67 3fxb h MET 49 Ca 0.02 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3fxb h MET 49 Cb 0.86 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 3fxb h MET 49 CO 0.07 0.67 0.52 0.93 0.23 0.00 0.00 176.91 179.33 3fxb h GLU 50 N 0.78 1.16 -0.01 0.39 5.08 -1.29 -1.18 114.58 119.51 3fxb h GLU 50 Ca 0.20 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3fxb h GLU 50 Cb 0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3fxb h GLU 50 CO -0.03 0.81 -0.47 1.96 -1.00 0.00 0.00 179.01 180.29 3fxb h GLN 51 N 1.18 0.03 0.00 2.33 4.20 -0.73 0.17 115.11 122.30 3fxb h GLN 51 Ca 0.31 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.77 3fxb h GLN 51 Cb -0.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.73 3fxb h GLN 51 CO -0.06 0.50 -0.97 1.15 -0.67 0.00 0.00 178.83 178.78 3fxb h THR 52 N 0.03 1.37 0.00 -0.54 2.02 -0.51 -0.99 112.91 114.28 3fxb h THR 52 Ca -0.00 -2.40 -0.16 0.00 0.77 0.00 0.00 66.41 64.62 3fxb h THR 52 Cb 0.84 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 3fxb h THR 52 CO 0.06 0.72 -0.76 1.56 0.37 0.00 0.00 175.52 177.48 3fxb h GLN 53 N 0.27 0.00 0.00 6.66 4.20 -0.99 -3.01 115.11 122.24 3fxb h GLN 53 Ca -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3fxb h GLN 53 Cb 1.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.39 3fxb h GLN 53 CO 0.17 0.76 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.57 3fxb h ASP 54 N 0.00 0.00 0.00 1.46 5.19 -1.03 -3.47 116.42 118.57 3fxb h ASP 54 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3fxb h ASP 54 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3fxb h ASP 54 CO 0.10 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.91 3fxb n GLY 55 N 0.58 0.97 0.13 2.75 0.00 -1.06 -4.98 105.19 103.58 3fxb n GLY 55 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3fxb n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fxb h ILE 56 N 0.00 1.40 -2.86 -0.61 2.04 -1.45 -3.45 117.51 112.57 3fxb h ILE 56 Ca 0.00 -1.60 -0.60 0.00 1.00 0.00 0.00 64.86 63.66 3fxb h ILE 56 Cb 0.00 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3fxb h ILE 56 CO 0.00 0.46 -0.51 -0.76 0.00 0.00 0.00 178.15 177.34 3fxb s LEU 57 N -8.82 4.26 -0.19 1.44 1.43 -0.87 -4.82 118.68 111.11 3fxb s LEU 57 Ca -0.14 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3fxb s LEU 57 Cb 0.04 -2.86 -0.15 0.00 0.03 0.00 0.00 46.19 43.25 3fxb s LEU 57 CO 0.77 0.14 -0.13 0.00 0.23 0.00 0.00 176.35 177.36 3fxb n GLN 58 N 0.10 0.72 -4.78 1.70 3.00 -0.73 -4.48 117.38 112.91 3fxb n GLN 58 Ca -0.06 0.09 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 3fxb n GLN 58 Cb 0.52 -1.41 -0.16 0.00 0.00 0.00 0.00 30.24 29.19 3fxb n GLN 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3fxb s PHE 59 N -2.40 1.61 0.02 1.08 0.08 0.03 -1.34 117.98 117.07 3fxb s PHE 59 Ca -0.23 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.37 3fxb s PHE 59 Cb 0.07 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 3fxb s PHE 59 CO 0.51 -0.16 -0.04 0.54 -0.10 0.00 0.00 175.22 175.97 3fxb s VAL 60 N 0.06 0.27 -0.31 -0.44 0.11 -0.01 -1.52 120.40 118.56 3fxb s VAL 60 Ca -0.04 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.23 3fxb s VAL 60 Cb -0.11 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 3fxb s VAL 60 CO 0.02 -0.28 0.12 -0.62 -3.33 0.00 0.00 175.10 171.01 3fxb s ASP 61 N -1.04 5.33 -0.08 3.54 3.68 -0.36 -0.92 116.67 126.82 3fxb s ASP 61 Ca -0.09 -0.74 0.00 0.00 2.13 0.00 0.00 52.55 53.85 3fxb s ASP 61 Cb -0.07 -1.93 0.02 0.00 -1.45 0.00 0.00 42.92 39.49 3fxb s ASP 61 CO -0.00 -0.23 -0.07 -1.58 0.13 0.00 0.00 175.17 173.41 3fxb s GLN 62 N 1.53 1.32 0.32 4.34 0.74 -0.60 -4.23 119.66 123.08 3fxb s GLN 62 Ca 0.03 -0.22 -0.28 0.00 0.05 0.00 0.00 55.36 54.94 3fxb s GLN 62 Cb -0.18 -1.33 -0.09 0.00 1.10 0.00 0.00 33.01 32.51 3fxb s GLN 62 CO 0.04 -0.17 1.15 -1.12 -0.55 0.00 0.00 175.29 174.64 3fxb s SER 63 N 1.36 6.97 0.65 6.67 0.01 -1.26 -3.15 113.70 124.95 3fxb s SER 63 Ca -0.03 2.35 0.25 0.00 1.31 0.00 0.00 55.95 59.84 3fxb s SER 63 Cb -0.14 -2.63 1.31 0.00 0.21 0.00 0.00 66.02 64.78 3fxb s SER 63 CO -0.03 -0.36 1.74 -0.65 0.41 0.00 0.00 173.24 174.35 3fxb h PRO 64 N 3.38 0.00 -0.00 12.44 0.11 -1.91 0.14 132.00 146.15 3fxb h PRO 64 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fxb h PRO 64 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fxb h PRO 64 CO 0.65 0.00 0.01 0.78 -0.21 0.00 0.00 178.00 179.23 3fxb h GLY 65 N 0.00 0.00 0.00 -0.55 0.00 -1.88 -2.23 103.07 98.41 3fxb h GLY 65 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3fxb h GLY 65 CO -0.00 0.00 -1.72 0.69 0.00 0.00 0.00 176.54 175.51 3fxb n PHE 66 N -3.47 0.00 1.05 5.60 3.72 0.02 -2.80 117.46 121.57 3fxb n PHE 66 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3fxb n PHE 66 Cb 0.08 -0.44 0.53 0.00 -0.94 0.00 0.00 39.48 38.71 3fxb n PHE 66 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3fxb n THR 67 N -2.19 0.00 0.21 4.37 -1.04 -1.04 -3.93 114.28 110.67 3fxb n THR 67 Ca -0.11 -0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.06 3fxb n THR 67 Cb 0.60 -0.27 0.81 0.00 -1.82 0.00 0.00 70.33 69.64 3fxb n THR 67 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3fxb h GLY 68 N 5.00 0.00 1.21 3.41 0.00 -1.57 0.98 103.07 112.10 3fxb h GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3fxb h GLY 68 CO 0.00 0.00 -0.95 1.76 0.00 0.00 0.00 176.54 177.35 3fxb h SER 69 N 0.00 0.93 0.04 0.19 0.02 -1.78 -3.30 113.55 109.64 3fxb h SER 69 Ca 0.07 -0.69 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3fxb h SER 69 Cb 0.35 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3fxb h SER 69 CO -0.00 1.49 -0.02 0.25 -1.14 0.00 0.00 176.83 177.41 3fxb h LEU 70 N 0.45 -0.05 -8.42 5.07 5.85 -1.44 -3.41 115.31 113.36 3fxb h LEU 70 Ca -0.10 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 57.93 3fxb h LEU 70 Cb 1.59 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.45 3fxb h LEU 70 CO 0.19 0.06 -0.01 -0.63 -0.34 0.00 0.00 178.44 177.71 3fxb s ILE 71 N -1.58 4.93 0.33 4.05 1.09 0.21 -4.96 121.20 125.26 3fxb s ILE 71 Ca -0.01 -0.46 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 3fxb s ILE 71 Cb 0.00 -4.24 0.23 0.00 -1.06 0.00 0.00 42.46 37.39 3fxb s ILE 71 CO 0.03 -0.72 1.96 -0.65 -0.10 0.00 0.00 174.94 175.46 3fxb h PRO 72 N 8.93 0.83 -0.94 2.79 0.11 -1.80 -2.43 132.00 139.48 3fxb h PRO 72 Ca -0.27 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3fxb h PRO 72 Cb 1.10 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3fxb h PRO 72 CO 0.93 0.61 0.02 -0.85 -0.21 0.00 0.00 178.00 178.49 3fxb n GLU 73 N -4.39 1.57 -0.01 1.05 0.00 -1.26 -2.55 120.64 115.05 3fxb n GLU 73 Ca 0.06 -0.51 0.13 0.00 0.00 0.00 0.00 57.16 56.84 3fxb n GLU 73 Cb 0.09 -1.56 0.29 0.00 0.00 0.00 0.00 31.44 30.26 3fxb n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fxb n ALA 74 N 0.12 2.51 0.71 -1.84 0.00 -0.92 -4.14 120.51 116.96 3fxb n ALA 74 Ca 0.05 -0.59 0.10 0.00 0.00 0.00 0.00 53.44 53.00 3fxb n ALA 74 Cb 0.45 -0.97 0.44 0.00 0.00 0.00 0.00 19.45 19.36 3fxb n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fxb n GLN 75 N 0.82 0.01 -0.05 0.00 6.02 -1.06 -3.69 117.38 119.44 3fxb n GLN 75 Ca 0.16 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.41 3fxb n GLN 75 Cb 0.49 -1.50 0.51 0.00 1.02 0.00 0.00 30.24 30.76 3fxb n GLN 75 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fxb h VAL 76 N 0.00 0.93 0.00 5.09 2.07 -1.85 -2.17 116.25 120.32 3fxb h VAL 76 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3fxb h VAL 76 Cb 0.34 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3fxb h VAL 76 CO 0.00 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.15 3fxb n PHE 77 N -4.47 0.00 -1.26 1.57 3.72 -1.24 -2.49 117.46 113.29 3fxb n PHE 77 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.56 3fxb n PHE 77 Cb 0.32 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.98 3fxb n PHE 77 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fxb n PHE 78 N -0.87 0.00 -2.73 1.38 3.72 -0.82 -4.89 117.46 113.26 3fxb n PHE 78 Ca 0.11 -0.88 -0.43 0.00 -0.05 0.00 0.00 57.45 56.21 3fxb n PHE 78 Cb 0.05 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.42 3fxb n PHE 78 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3fxb s VAL 79 N -2.44 4.36 0.33 -4.37 1.01 -1.04 -4.71 120.40 113.54 3fxb s VAL 79 Ca 0.28 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 3fxb s VAL 79 Cb 0.25 -4.51 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 3fxb s VAL 79 CO 0.02 -0.91 1.29 -2.65 0.00 0.00 0.00 175.10 172.84 3fxb n PRO 80 N 7.46 2.08 -1.00 2.72 -0.02 -1.26 -2.34 135.00 142.63 3fxb n PRO 80 Ca 0.09 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3fxb n PRO 80 Cb 0.49 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3fxb n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fxb n TYR 81 N 0.49 0.00 -0.01 6.00 4.01 0.50 -4.82 117.16 123.33 3fxb n TYR 81 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 3fxb n TYR 81 Cb 0.35 -1.40 -0.10 0.00 -0.31 0.00 0.00 39.34 37.89 3fxb n TYR 81 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3fxb h LEU 82 N 0.00 -0.01 -9.49 7.72 5.85 -1.72 -3.43 115.31 114.23 3fxb h LEU 82 Ca 0.00 -0.50 -0.53 0.00 0.84 0.00 0.00 57.88 57.69 3fxb h LEU 82 Cb 0.70 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3fxb h LEU 82 CO 0.00 0.50 0.39 -0.76 -0.34 0.00 0.00 178.44 178.23 3fxb s LEU 83 N -9.19 4.43 0.91 2.25 1.02 -1.26 -5.04 118.68 111.80 3fxb s LEU 83 Ca -0.16 1.77 -0.11 0.00 0.02 0.00 0.00 54.13 55.65 3fxb s LEU 83 Cb 0.01 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.78 3fxb s LEU 83 CO 0.67 -0.19 1.10 -2.16 0.02 0.00 0.00 176.35 175.79 3fxb s PRO 84 N 0.51 1.10 -0.06 1.29 0.04 -1.26 -4.79 135.00 131.83 3fxb s PRO 84 Ca 0.50 1.13 0.20 0.00 0.04 0.00 0.00 61.00 62.88 3fxb s PRO 84 Cb -0.23 -1.77 -0.26 0.00 0.04 0.00 0.00 34.50 32.28 3fxb s PRO 84 CO 0.29 -2.44 0.43 -2.37 0.04 0.00 0.00 177.00 172.96 3fxb n THR 85 N -4.06 0.64 -1.57 1.26 5.66 -1.26 -4.86 114.28 110.09 3fxb n THR 85 Ca 0.08 -0.64 -0.42 0.00 -3.05 0.00 0.00 64.05 60.03 3fxb n THR 85 Cb 0.54 -0.27 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 3fxb n THR 85 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3fxb n ASP 86 N -2.53 2.80 0.21 1.09 -0.08 -1.26 -4.85 116.55 111.94 3fxb n ASP 86 Ca -0.14 -0.01 0.07 0.00 -1.51 0.00 0.00 54.79 53.21 3fxb n ASP 86 Cb 0.79 -1.53 0.47 0.00 2.34 0.00 0.00 41.12 43.19 3fxb n ASP 86 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fxb h GLN 87 N 16.25 0.00 -0.21 -0.67 5.75 -1.99 -0.37 115.11 133.88 3fxb h GLN 87 Ca -0.34 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.08 3fxb h GLN 87 Cb 1.26 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.80 3fxb h GLN 87 CO 1.04 0.28 -0.20 -0.44 -2.65 0.00 0.00 178.83 176.86 3fxb h ASP 88 N 0.00 0.54 0.25 -0.69 5.19 -2.00 -2.68 116.42 117.03 3fxb h ASP 88 Ca -0.00 -0.47 -0.12 0.00 -0.62 0.00 0.00 57.03 55.82 3fxb h ASP 88 Cb 0.65 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3fxb h ASP 88 CO 0.04 0.90 -0.47 -0.74 -3.12 0.00 0.00 179.24 175.85 3fxb h HIS 89 N 0.19 0.32 -0.24 4.55 -0.00 -1.86 -3.08 115.15 115.03 3fxb h HIS 89 Ca 0.04 -0.10 -0.13 0.00 -0.00 0.00 0.00 60.37 60.18 3fxb h HIS 89 Cb 0.74 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 3fxb h HIS 89 CO 0.08 0.69 -0.41 1.25 -0.00 0.00 0.00 177.93 179.54 3fxb h LEU 90 N 0.21 0.60 -0.74 0.26 5.85 -1.10 -2.90 115.31 117.49 3fxb h LEU 90 Ca 0.01 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 3fxb h LEU 90 Cb 0.91 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3fxb h LEU 90 CO 0.07 0.94 -0.31 0.00 -0.34 0.00 0.00 178.44 178.81 3fxb h ALA 91 N 1.09 0.92 0.00 1.25 0.00 -1.39 -2.84 119.26 118.29 3fxb h ALA 91 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3fxb h ALA 91 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3fxb h ALA 91 CO 0.08 0.62 -0.49 0.00 0.00 0.00 0.00 179.25 179.46 3fxb h ARG 92 N 0.53 0.00 0.26 0.00 3.08 -1.51 -3.19 114.38 113.54 3fxb h ARG 92 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3fxb h ARG 92 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3fxb h ARG 92 CO 0.06 0.49 -0.12 0.35 -1.07 0.00 0.00 179.97 179.68 3fxb h PHE 93 N 0.00 -0.32 -0.26 3.04 3.57 -1.29 -2.13 116.94 119.55 3fxb h PHE 93 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3fxb h PHE 93 Cb 0.88 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3fxb h PHE 93 CO 0.00 -0.20 0.30 0.74 -2.23 0.00 0.00 178.31 176.92 3fxb h PHE 94 N -0.37 0.00 0.14 0.41 0.04 -1.64 0.14 116.94 115.66 3fxb h PHE 94 Ca -0.04 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 3fxb h PHE 94 Cb 0.27 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.44 3fxb h PHE 94 CO 0.15 0.00 -0.83 -0.22 -0.60 0.00 0.00 178.31 176.81 3fxb h LYS 95 N 0.00 0.29 -0.35 1.51 3.64 -1.57 -3.38 116.57 116.72 3fxb h LYS 95 Ca 0.12 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3fxb h LYS 95 Cb 0.72 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3fxb h LYS 95 CO -0.00 1.24 0.00 0.39 -2.27 0.00 0.00 179.45 178.81 3fxb n GLU 96 N -4.12 3.32 -2.74 1.90 4.71 -0.60 -4.99 120.64 118.12 3fxb n GLU 96 Ca -0.14 -2.83 -0.42 0.00 -0.01 0.00 0.00 57.16 53.75 3fxb n GLU 96 Cb 0.82 -1.87 -0.03 0.00 -1.01 0.00 0.00 31.44 29.35 3fxb n GLU 96 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3fxb s SER 97 N -1.58 7.12 0.42 1.62 0.15 0.38 -4.91 113.70 116.91 3fxb s SER 97 Ca 0.43 1.39 0.16 0.00 0.70 0.00 0.00 55.95 58.63 3fxb s SER 97 Cb 0.33 -2.52 0.94 0.00 -1.71 0.00 0.00 66.02 63.06 3fxb s SER 97 CO 0.12 -0.49 1.92 0.50 1.20 0.00 0.00 173.24 176.48 3fxb h LYS 98 N 7.26 0.00 -0.01 5.44 3.64 -1.92 -1.66 116.57 129.33 3fxb h LYS 98 Ca -0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3fxb h LYS 98 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3fxb h LYS 98 CO 0.88 0.27 -0.02 0.00 -2.27 0.00 0.00 179.45 178.31 3fxb h ALA 99 N 1.73 0.01 -0.16 5.00 0.00 -1.91 -2.53 119.26 121.41 3fxb h ALA 99 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3fxb h ALA 99 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3fxb h ALA 99 CO 0.03 -0.18 -0.09 0.82 0.00 0.00 0.00 179.25 179.83 3fxb h ILE 100 N -0.54 1.32 -0.15 0.00 1.08 -1.93 -1.74 117.51 115.54 3fxb h ILE 100 Ca 0.00 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 3fxb h ILE 100 Cb 0.61 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 3fxb h ILE 100 CO 0.00 0.34 0.00 0.59 -0.69 0.00 0.00 178.15 178.40 3fxb n ASN 101 N -4.61 2.83 0.00 1.72 3.02 -0.63 -4.02 115.26 113.57 3fxb n ASN 101 Ca -0.06 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3fxb n ASN 101 Cb 0.32 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3fxb n ASN 101 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fxb n ASP 102 N 1.15 0.03 0.08 6.41 9.92 -0.98 -4.81 116.55 128.35 3fxb n ASP 102 Ca 0.17 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.39 3fxb n ASP 102 Cb 0.55 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.96 3fxb n ASP 102 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 3fxb h MET 103 N 0.00 0.00 0.01 -1.24 2.86 -1.18 -3.30 114.93 112.08 3fxb h MET 103 Ca 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 3fxb h MET 103 Cb 0.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3fxb h MET 103 CO 0.00 0.73 -1.07 0.74 1.06 0.00 0.00 176.91 178.37 3fxb h PHE 104 N 0.00 0.03 -0.44 -0.22 0.04 -1.47 -3.39 116.94 111.49 3fxb h PHE 104 Ca -0.04 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.75 3fxb h PHE 104 Cb 1.63 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.74 3fxb h PHE 104 CO 0.00 1.02 0.21 0.87 -0.60 0.00 0.00 178.31 179.81 3fxb h LYS 105 N 0.00 0.42 0.00 1.51 1.57 -1.74 -1.72 116.57 116.61 3fxb h LYS 105 Ca -0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3fxb h LYS 105 Cb 1.80 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.01 3fxb h LYS 105 CO 0.13 0.28 -0.16 -1.00 -0.57 0.00 0.00 179.45 178.12 3fxb h PRO 106 N 0.43 0.00 -0.11 3.15 0.13 -1.75 -1.86 132.00 131.99 3fxb h PRO 106 Ca 0.19 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.10 3fxb h PRO 106 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 3fxb h PRO 106 CO -0.14 0.16 -0.82 -0.07 -0.23 0.00 0.00 178.00 176.90 3fxb h LEU 107 N 0.00 0.85 -0.59 1.56 3.38 -1.53 -2.47 115.31 116.52 3fxb h LEU 107 Ca -0.00 -0.58 -0.14 0.00 0.09 0.00 0.00 57.88 57.25 3fxb h LEU 107 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3fxb h LEU 107 CO 0.02 1.38 -0.36 1.88 0.09 0.00 0.00 178.44 181.44 3fxb h TYR 108 N 0.46 0.86 -0.52 1.13 0.05 -1.30 -3.08 116.97 114.57 3fxb h TYR 108 Ca -0.06 -0.24 0.05 0.00 0.05 0.00 0.00 58.73 58.53 3fxb h TYR 108 Cb 1.45 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 3fxb h TYR 108 CO 0.08 0.98 0.35 0.00 -1.05 0.00 0.00 178.16 178.52 3fxb h ALA 109 N 0.99 1.84 0.00 3.88 0.00 -1.06 -0.93 119.26 123.98 3fxb h ALA 109 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fxb h ALA 109 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fxb h ALA 109 CO 0.08 0.09 0.00 -0.44 0.00 0.00 0.00 179.25 178.98 3fxb h ASP 110 N 0.52 0.00 -0.31 0.00 3.45 -1.34 -0.45 116.42 118.28 3fxb h ASP 110 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3fxb h ASP 110 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3fxb h ASP 110 CO -0.06 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.61 3fxb n GLN 111 N -2.74 2.95 -2.77 3.56 3.00 -0.38 -4.98 117.38 116.03 3fxb n GLN 111 Ca -0.02 -2.50 -0.06 0.00 -0.01 0.00 0.00 57.00 54.41 3fxb n GLN 111 Cb 0.08 -1.60 0.02 0.00 0.00 0.00 0.00 30.24 28.74 3fxb n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fxb n GLY 112 N -0.00 0.53 2.93 1.08 0.00 -0.18 -5.01 105.19 104.53 3fxb n GLY 112 Ca 0.17 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 3fxb n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxb s LEU 113 N -2.66 1.68 -0.51 0.99 1.43 -1.04 -2.02 118.68 116.54 3fxb s LEU 113 Ca 0.15 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3fxb s LEU 113 Cb -0.07 -0.34 0.09 0.00 0.03 0.00 0.00 46.19 45.90 3fxb s LEU 113 CO 0.19 0.01 0.50 -0.70 0.23 0.00 0.00 176.35 176.58 3fxb s GLU 114 N 0.35 3.01 0.02 1.70 2.56 0.17 -2.56 118.70 123.95 3fxb s GLU 114 Ca -0.04 -1.38 -0.30 0.00 0.00 0.00 0.00 54.97 53.25 3fxb s GLU 114 Cb -0.08 -4.19 -0.06 0.00 2.00 0.00 0.00 34.13 31.80 3fxb s GLU 114 CO -0.00 -1.21 1.40 -1.17 -0.56 0.00 0.00 175.26 173.72 3fxb s LEU 115 N 1.92 4.32 -0.17 2.70 2.96 -1.26 -1.24 118.68 127.91 3fxb s LEU 115 Ca 0.06 2.14 -0.14 0.00 -0.22 0.00 0.00 54.13 55.97 3fxb s LEU 115 Cb -0.25 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.82 3fxb s LEU 115 CO 0.06 -0.71 -0.26 0.18 -1.32 0.00 0.00 176.35 174.31 3fxb n LEU 116 N 5.18 1.89 -3.87 -0.68 4.77 -0.15 -4.98 117.00 119.15 3fxb n LEU 116 Ca 0.13 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 3fxb n LEU 116 Cb 0.43 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 3fxb n LEU 116 CO 0.59 -0.27 -0.14 0.20 -1.33 0.00 0.00 177.39 176.44 3fxb s ASN 117 N -5.98 0.09 0.01 -1.43 0.01 -1.14 -5.01 114.94 101.49 3fxb s ASN 117 Ca -0.24 -0.44 0.07 0.00 -0.71 0.00 0.00 52.86 51.54 3fxb s ASN 117 Cb 0.04 0.27 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 3fxb s ASN 117 CO 0.36 -0.55 -0.23 -0.04 -1.51 0.00 0.00 177.10 175.13 3fxb s MET 118 N -2.68 1.68 0.03 -0.60 -1.94 -1.26 -1.23 119.30 113.31 3fxb s MET 118 Ca -0.04 -0.90 -0.02 0.00 -1.71 0.00 0.00 55.69 53.01 3fxb s MET 118 Cb -0.01 -1.72 -0.02 0.00 2.01 0.00 0.00 34.83 35.09 3fxb s MET 118 CO -0.05 0.46 0.02 -0.59 -0.01 0.00 0.00 175.02 174.85 3fxb s PHE 119 N -0.66 0.30 0.60 -0.03 -0.71 -0.60 -4.78 117.98 112.09 3fxb s PHE 119 Ca 0.09 -0.65 -0.09 0.00 -1.04 0.00 0.00 56.93 55.25 3fxb s PHE 119 Cb -0.09 -0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 3fxb s PHE 119 CO 0.00 -0.30 0.96 -1.25 -1.34 0.00 0.00 175.22 173.29 3fxb s PRO 120 N -2.47 3.32 0.00 1.99 0.04 -1.26 -2.05 135.00 134.58 3fxb s PRO 120 Ca -0.06 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3fxb s PRO 120 Cb -0.02 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3fxb s PRO 120 CO -0.04 -0.59 0.09 0.39 0.04 0.00 0.00 177.00 176.89 3fxb n GLU 121 N -2.64 2.45 0.00 4.56 1.02 0.52 -4.91 120.64 121.64 3fxb n GLU 121 Ca 0.04 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3fxb n GLU 121 Cb 0.56 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 3fxb n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fxb n GLY 122 N 0.38 3.51 3.70 0.62 0.00 -1.26 -4.90 105.19 107.24 3fxb n GLY 122 Ca 0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3fxb n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fxb n GLU 123 N -1.21 2.15 -3.52 1.61 2.13 -1.26 -1.23 120.64 119.30 3fxb n GLU 123 Ca 0.00 0.75 -0.28 0.00 0.66 0.00 0.00 57.16 58.30 3fxb n GLU 123 Cb 0.00 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 3fxb n GLU 123 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3fxb s VAL 124 N -0.84 5.12 -0.01 6.31 -7.23 -0.05 -4.02 120.40 119.67 3fxb s VAL 124 Ca 0.58 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.56 3fxb s VAL 124 Cb -0.58 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 32.62 3fxb s VAL 124 CO 0.59 -0.27 -0.01 0.00 -0.31 0.00 0.00 175.10 175.10 3fxb s ALA 125 N -1.99 0.22 0.08 1.32 0.00 -0.29 -4.49 121.76 116.60 3fxb s ALA 125 Ca 0.41 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 3fxb s ALA 125 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3fxb s ALA 125 CO 0.30 0.01 1.06 -1.64 0.00 0.00 0.00 175.76 175.49 3fxb s MET 126 N 0.29 4.56 -0.21 0.00 -1.94 0.02 -2.67 119.30 119.35 3fxb s MET 126 Ca -0.03 1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 55.53 3fxb s MET 126 Cb -0.05 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.43 3fxb s MET 126 CO -0.01 -0.03 -0.12 0.95 -0.01 0.00 0.00 175.02 175.80 3fxb s THR 127 N 0.57 2.71 0.33 2.05 -4.23 0.68 -0.04 115.64 117.71 3fxb s THR 127 Ca 0.52 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 3fxb s THR 127 Cb -0.26 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 3fxb s THR 127 CO 0.30 0.44 0.09 0.42 -0.54 0.00 0.00 174.62 175.33 3fxb s THR 128 N 1.37 0.83 -1.90 3.99 -4.23 -0.43 -1.31 115.64 113.96 3fxb s THR 128 Ca 0.04 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.76 3fxb s THR 128 Cb -0.14 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.09 3fxb s THR 128 CO -0.08 0.00 1.01 2.29 -0.54 0.00 0.00 174.62 177.30 3fxb n LYS 129 N -0.69 1.45 -4.63 3.99 2.85 -1.10 -0.48 118.16 119.55 3fxb n LYS 129 Ca -0.02 -1.00 -0.30 0.00 -1.05 0.00 0.00 58.31 55.94 3fxb n LYS 129 Cb 0.66 -1.40 -0.14 0.00 -0.65 0.00 0.00 35.03 33.50 3fxb n LYS 129 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3fxb s THR 130 N -2.21 2.20 0.32 0.58 -4.23 -1.26 -4.78 115.64 106.26 3fxb s THR 130 Ca 0.17 -1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3fxb s THR 130 Cb 0.16 -1.92 -0.12 0.00 1.34 0.00 0.00 72.50 71.96 3fxb s THR 130 CO 0.49 0.22 1.46 -2.65 -0.54 0.00 0.00 174.62 173.59 3fxb n PRO 131 N 1.30 2.43 -3.99 3.99 -0.02 -1.26 -4.86 135.00 132.60 3fxb n PRO 131 Ca -0.17 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 3fxb n PRO 131 Cb 0.52 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 3fxb n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fxb s VAL 132 N -0.58 2.49 -0.09 -1.45 1.01 -1.26 -4.82 120.40 115.69 3fxb s VAL 132 Ca 0.60 -1.84 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 3fxb s VAL 132 Cb -0.54 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3fxb s VAL 132 CO 0.56 -0.28 -0.09 0.41 0.00 0.00 0.00 175.10 175.70 3fxb n THR 133 N 4.43 0.52 -4.45 3.92 -1.04 -1.26 -4.97 114.28 111.43 3fxb n THR 133 Ca -0.07 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 61.51 3fxb n THR 133 Cb 0.42 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 3fxb n THR 133 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3fxb n THR 134 N -2.85 0.00 0.15 12.58 -2.24 -1.26 -4.85 114.28 115.80 3fxb n THR 134 Ca -0.16 -2.21 0.01 0.00 -2.27 0.00 0.00 64.05 59.41 3fxb n THR 134 Cb 0.67 0.81 0.31 0.00 -2.10 0.00 0.00 70.33 70.01 3fxb n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fxb n SER 136 N -4.06 0.00 0.11 0.00 3.41 -1.26 -2.30 113.62 109.51 3fxb n SER 136 Ca -0.02 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 3fxb n SER 136 Cb 0.44 -0.43 0.42 0.00 -0.26 0.00 0.00 64.21 64.37 3fxb n SER 136 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxb n ASP 137 N -1.43 0.80 0.01 4.04 8.00 -0.98 -3.07 116.55 123.92 3fxb n ASP 137 Ca 0.07 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.28 3fxb n ASP 137 Cb 0.23 -0.80 0.31 0.00 -0.02 0.00 0.00 41.12 40.84 3fxb n ASP 137 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fxb n LEU 138 N -2.26 0.44 -4.62 0.64 4.77 -0.97 -4.86 117.00 110.15 3fxb n LEU 138 Ca 0.05 0.14 -0.58 0.00 -0.03 0.00 0.00 56.01 55.59 3fxb n LEU 138 Cb 0.41 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3fxb n LEU 138 CO 0.29 0.07 1.43 -0.67 -1.33 0.00 0.00 177.39 177.18 3fxb n ASP 139 N -1.61 2.03 -3.59 -1.43 2.03 -1.17 -1.27 116.55 111.54 3fxb n ASP 139 Ca 0.05 0.94 -0.22 0.00 0.52 0.00 0.00 54.79 56.08 3fxb n ASP 139 Cb 0.35 -1.10 0.07 0.00 -0.72 0.00 0.00 41.12 39.73 3fxb n ASP 139 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fxb n GLU 140 N 5.94 -7.10 -3.80 -0.67 1.02 -1.24 -5.00 120.64 109.79 3fxb n GLU 140 Ca 0.33 0.80 -0.36 0.00 -0.02 0.00 0.00 57.16 57.90 3fxb n GLU 140 Cb 0.10 -5.79 -0.12 0.00 -0.02 0.00 0.00 31.44 25.61 3fxb n GLU 140 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fxb s VAL 141 N -3.36 4.27 -0.58 2.62 1.01 -0.39 -4.93 120.40 119.04 3fxb s VAL 141 Ca 0.37 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 3fxb s VAL 141 Cb -0.17 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3fxb s VAL 141 CO 0.75 0.36 1.68 -0.54 0.00 0.00 0.00 175.10 177.34 3fxb s LYS 142 N 1.49 2.94 -0.33 2.72 1.02 -1.26 -2.12 119.74 124.20 3fxb s LYS 142 Ca 0.06 0.57 -0.08 0.00 0.02 0.00 0.00 55.97 56.54 3fxb s LYS 142 Cb -0.15 -4.28 0.02 0.00 -0.52 0.00 0.00 37.83 32.91 3fxb s LYS 142 CO 0.03 -2.37 0.12 0.12 -0.92 0.00 0.00 175.35 172.34 3fxb s PHE 143 N 7.69 3.21 0.53 3.18 2.19 -0.97 -0.21 117.98 133.60 3fxb s PHE 143 Ca 0.61 -1.13 -0.21 0.00 0.33 0.00 0.00 56.93 56.52 3fxb s PHE 143 Cb -0.13 -2.31 -0.05 0.00 -1.31 0.00 0.00 43.02 39.22 3fxb s PHE 143 CO 0.23 -0.65 1.25 0.50 1.83 0.00 0.00 175.22 178.38 3fxb s ARG 144 N 1.48 3.33 0.02 10.12 3.00 0.11 -0.57 118.95 136.44 3fxb s ARG 144 Ca 0.01 1.97 -0.20 0.00 -1.00 0.00 0.00 55.73 56.51 3fxb s ARG 144 Cb -0.19 -2.24 0.04 0.00 0.00 0.00 0.00 34.95 32.57 3fxb s ARG 144 CO 0.04 -0.96 0.45 0.54 0.00 0.00 0.00 175.30 175.36 3fxb s VAL 145 N -1.46 0.04 0.81 7.11 0.11 0.02 -4.30 120.40 122.73 3fxb s VAL 145 Ca 0.70 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 59.28 3fxb s VAL 145 Cb -0.34 -0.89 0.08 0.00 -1.53 0.00 0.00 36.38 33.70 3fxb s VAL 145 CO 0.40 -0.20 1.12 -0.04 -3.33 0.00 0.00 175.10 173.04 3fxb s MET 146 N -2.05 1.90 -1.34 1.54 -1.94 -1.26 -2.06 119.30 114.08 3fxb s MET 146 Ca -0.08 1.33 -0.11 0.00 -1.71 0.00 0.00 55.69 55.12 3fxb s MET 146 Cb -0.02 -1.84 0.12 0.00 2.01 0.00 0.00 34.83 35.10 3fxb s MET 146 CO 0.01 -1.94 1.99 0.25 -0.01 0.00 0.00 175.02 175.32 3fxb n THR 147 N -3.64 4.04 -3.81 2.05 -2.24 -1.12 -4.75 114.28 104.81 3fxb n THR 147 Ca 0.10 -3.93 -0.12 0.00 -2.27 0.00 0.00 64.05 57.83 3fxb n THR 147 Cb 0.52 -2.44 -0.12 0.00 -2.10 0.00 0.00 70.33 66.20 3fxb n THR 147 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fxb s ASN 148 N 1.67 -0.16 0.22 3.42 2.20 -1.21 -4.46 114.94 116.62 3fxb s ASN 148 Ca 0.42 0.28 -0.08 0.00 -0.94 0.00 0.00 52.86 52.54 3fxb s ASN 148 Cb 0.11 0.37 0.34 0.00 -2.00 0.00 0.00 41.25 40.06 3fxb s ASN 148 CO -0.03 -0.14 1.70 -0.65 -2.94 0.00 0.00 177.10 175.05 3fxb h PRO 149 N 5.48 0.27 -0.29 3.55 0.11 -1.90 -2.72 132.00 136.50 3fxb h PRO 149 Ca -0.26 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3fxb h PRO 149 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3fxb h PRO 149 CO 0.39 0.18 -0.44 1.25 -0.21 0.00 0.00 178.00 179.17 3fxb h LEU 150 N 0.28 0.79 -1.18 2.35 5.85 -1.96 -1.19 115.31 120.25 3fxb h LEU 150 Ca 0.34 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3fxb h LEU 150 Cb 0.52 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3fxb h LEU 150 CO -0.42 1.11 0.30 0.25 -0.34 0.00 0.00 178.44 179.34 3fxb h LEU 151 N 0.59 0.79 -0.74 2.25 5.85 -1.78 0.26 115.31 122.53 3fxb h LEU 151 Ca 0.04 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3fxb h LEU 151 Cb 0.99 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3fxb h LEU 151 CO 0.09 0.67 0.23 0.58 -0.34 0.00 0.00 178.44 179.67 3fxb h VAL 152 N 0.88 1.26 0.00 1.05 2.07 -1.17 -2.83 116.25 117.51 3fxb h VAL 152 Ca 0.22 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3fxb h VAL 152 Cb 0.08 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3fxb h VAL 152 CO -0.03 0.36 -0.39 -0.33 0.02 0.00 0.00 177.57 177.20 3fxb h GLU 153 N 1.11 0.00 -0.22 1.57 4.39 -0.27 -2.99 114.58 118.16 3fxb h GLU 153 Ca 0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3fxb h GLU 153 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3fxb h GLU 153 CO -0.01 0.39 0.11 0.77 -1.16 0.00 0.00 179.01 179.12 3fxb h SER 154 N 0.00 0.27 1.71 1.42 0.02 -0.73 -1.36 113.55 114.89 3fxb h SER 154 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3fxb h SER 154 Cb 0.71 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3fxb h SER 154 CO 0.05 0.29 0.00 1.88 -1.14 0.00 0.00 176.83 177.92 3fxb h TYR 155 N 0.23 0.00 -0.27 3.45 0.05 -1.55 -0.94 116.97 117.94 3fxb h TYR 155 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 3fxb h TYR 155 Cb 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3fxb h TYR 155 CO -0.03 0.00 -0.24 0.87 -1.05 0.00 0.00 178.16 177.71 3fxb h LYS 156 N 0.00 0.64 0.00 4.88 1.57 -1.39 0.11 116.57 122.38 3fxb h LYS 156 Ca 0.00 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3fxb h LYS 156 Cb 0.85 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3fxb h LYS 156 CO 0.00 0.93 -0.07 0.00 -0.57 0.00 0.00 179.45 179.73 3fxb h ALA 157 N 0.70 1.04 0.00 3.86 0.00 -0.92 -2.54 119.26 121.41 3fxb h ALA 157 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fxb h ALA 157 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fxb h ALA 157 CO 0.06 0.09 -0.37 0.74 0.00 0.00 0.00 179.25 179.78 3fxb h PHE 158 N 0.00 0.00 0.00 0.00 0.04 -1.12 -3.45 116.94 112.41 3fxb h PHE 158 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fxb h PHE 158 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3fxb h PHE 158 CO 0.00 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 3fxb n GLY 159 N 1.15 0.80 3.94 -1.45 0.00 -0.96 -4.48 105.19 104.20 3fxb n GLY 159 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3fxb n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxb s ALA 160 N -2.00 3.03 -0.55 4.61 0.00 0.36 -3.47 121.76 123.75 3fxb s ALA 160 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 3fxb s ALA 160 Cb 0.00 -2.51 0.14 0.00 0.00 0.00 0.00 23.12 20.75 3fxb s ALA 160 CO 0.00 -1.64 0.38 0.99 0.00 0.00 0.00 175.76 175.49 3fxb s THR 161 N -3.40 3.83 0.35 0.00 2.01 -0.90 -4.14 115.64 113.39 3fxb s THR 161 Ca 0.65 -2.44 -0.27 0.00 0.31 0.00 0.00 61.69 59.94 3fxb s THR 161 Cb -0.08 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 3fxb s THR 161 CO 0.47 -0.82 1.19 -2.84 -0.69 0.00 0.00 174.62 171.94 3fxb s PRO 162 N 0.57 4.29 -0.19 4.92 0.02 -1.26 -2.29 135.00 141.07 3fxb s PRO 162 Ca 0.12 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 3fxb s PRO 162 Cb -0.21 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.43 3fxb s PRO 162 CO -0.04 -0.15 -0.03 0.99 -0.33 0.00 0.00 177.00 177.45 3fxb s THR 163 N -1.27 1.03 -0.20 0.99 2.01 0.26 -4.86 115.64 113.59 3fxb s THR 163 Ca 0.51 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 3fxb s THR 163 Cb -0.34 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 3fxb s THR 163 CO 0.44 -0.01 1.27 -2.84 -0.69 0.00 0.00 174.62 172.78 3fxb s PRO 164 N 1.65 4.14 -0.05 4.92 0.02 -1.26 -0.80 135.00 143.62 3fxb s PRO 164 Ca -0.01 1.54 -0.05 0.00 0.02 0.00 0.00 61.00 62.50 3fxb s PRO 164 Cb -0.16 -3.79 0.01 0.00 0.02 0.00 0.00 34.50 30.58 3fxb s PRO 164 CO -0.07 -0.82 0.14 -0.51 -0.33 0.00 0.00 177.00 175.40 3fxb s LEU 165 N 3.74 1.48 0.52 -5.54 1.43 -0.88 -4.94 118.68 114.50 3fxb s LEU 165 Ca 0.55 0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 53.72 3fxb s LEU 165 Cb -0.20 0.46 -0.06 0.00 0.03 0.00 0.00 46.19 46.42 3fxb s LEU 165 CO 0.17 -0.05 1.15 -2.84 0.23 0.00 0.00 176.35 175.01 3fxb s PRO 166 N 0.08 3.43 0.30 1.29 0.02 -1.26 -4.59 135.00 134.27 3fxb s PRO 166 Ca -0.00 1.70 0.05 0.00 0.02 0.00 0.00 61.00 62.77 3fxb s PRO 166 Cb -0.01 -2.12 0.73 0.00 0.02 0.00 0.00 34.50 33.12 3fxb s PRO 166 CO 0.00 -0.80 1.76 2.35 -0.33 0.00 0.00 177.00 179.98 3fxb h TRP 167 N 1.43 0.97 0.00 6.54 2.91 -2.01 -2.72 115.95 123.07 3fxb h TRP 167 Ca -0.50 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.56 3fxb h TRP 167 Cb 1.26 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 3fxb h TRP 167 CO 0.51 0.17 0.38 0.78 -1.03 0.00 0.00 178.44 179.25 3fxb h GLY 168 N 0.67 0.00 -0.98 2.65 0.00 -2.02 0.33 103.07 103.73 3fxb h GLY 168 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3fxb h GLY 168 CO -0.41 0.00 -0.22 1.18 0.00 0.00 0.00 176.54 177.09 3fxb n GLU 169 N -2.63 1.57 -0.03 4.80 1.02 -1.03 -4.70 120.64 119.65 3fxb n GLU 169 Ca -0.02 -1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 55.92 3fxb n GLU 169 Cb 0.41 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 3fxb n GLU 169 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fxb h VAL 170 N 2.38 1.43 0.43 2.62 2.07 -1.07 -1.50 116.25 122.62 3fxb h VAL 170 Ca 0.00 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3fxb h VAL 170 Cb 0.62 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3fxb h VAL 170 CO 0.00 0.36 -0.22 0.22 0.02 0.00 0.00 177.57 177.96 3fxb h TYR 171 N -0.45 -0.56 -0.98 1.57 3.20 -1.84 -2.29 116.97 115.62 3fxb h TYR 171 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3fxb h TYR 171 Cb 0.62 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 3fxb h TYR 171 CO 0.12 -0.35 0.64 0.78 -1.64 0.00 0.00 178.16 177.71 3fxb h GLY 172 N -0.59 1.44 0.99 1.82 0.00 -1.85 -0.45 103.07 104.42 3fxb h GLY 172 Ca -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3fxb h GLY 172 CO 0.09 0.40 0.18 -1.33 0.00 0.00 0.00 176.54 175.87 3fxb h GLY 173 N 1.22 0.93 0.92 4.60 0.00 -1.21 -1.17 103.07 108.37 3fxb h GLY 173 Ca 0.39 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3fxb h GLY 173 CO -0.13 0.52 0.06 1.41 0.00 0.00 0.00 176.54 178.39 3fxb h LEU 174 N 0.78 0.59 -0.80 3.11 3.38 -0.94 0.16 115.31 121.58 3fxb h LEU 174 Ca 0.18 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3fxb h LEU 174 Cb 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3fxb h LEU 174 CO -0.01 0.70 0.53 -0.61 0.09 0.00 0.00 178.44 179.14 3fxb h GLN 175 N 0.45 1.04 -0.21 1.13 4.15 -0.91 -1.98 115.11 118.78 3fxb h GLN 175 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3fxb h GLN 175 Cb 0.36 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3fxb h GLN 175 CO 0.01 0.69 0.00 0.25 -1.93 0.00 0.00 178.83 177.85 3fxb n THR 176 N -4.53 0.27 -2.31 2.39 -2.24 -0.46 -4.95 114.28 102.45 3fxb n THR 176 Ca 0.08 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 3fxb n THR 176 Cb 0.02 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 3fxb n THR 176 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fxb n ASN 177 N 0.51 -5.48 0.19 3.42 5.15 -0.41 -4.88 115.26 113.77 3fxb n ASN 177 Ca 0.16 0.02 0.09 0.00 -0.60 0.00 0.00 54.58 54.25 3fxb n ASN 177 Cb 0.37 -4.54 0.13 0.00 -0.53 0.00 0.00 39.78 35.21 3fxb n ASN 177 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3fxb h VAL 178 N 0.00 0.23 -3.79 3.44 2.07 -1.02 -3.45 116.25 113.73 3fxb h VAL 178 Ca -0.45 -1.32 -0.41 0.00 0.82 0.00 0.00 66.70 65.35 3fxb h VAL 178 Cb 1.33 2.10 -0.20 0.00 -1.52 0.00 0.00 31.29 33.00 3fxb h VAL 178 CO 0.54 0.13 -0.77 0.27 0.02 0.00 0.00 177.57 177.76 3fxb s ILE 179 N -3.15 1.18 -0.17 4.57 -4.36 -1.08 -4.94 121.20 113.25 3fxb s ILE 179 Ca 0.06 -1.49 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 3fxb s ILE 179 Cb 0.06 -1.27 0.01 0.00 1.25 0.00 0.00 42.46 42.50 3fxb s ILE 179 CO 0.69 -0.33 0.44 0.00 0.24 0.00 0.00 174.94 175.99 3fxb n GLN 180 N 0.93 0.84 -3.68 0.37 3.00 0.70 -4.26 117.38 115.28 3fxb n GLN 180 Ca -0.19 -0.46 -0.13 0.00 -0.01 0.00 0.00 57.00 56.21 3fxb n GLN 180 Cb 0.55 -0.93 -0.07 0.00 0.00 0.00 0.00 30.24 29.80 3fxb n GLN 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3fxb s GLY 181 N -0.35 -0.26 0.07 1.08 0.00 -0.83 -2.72 107.32 104.31 3fxb s GLY 181 Ca 0.02 0.40 -0.26 0.00 0.00 0.00 0.00 44.72 44.87 3fxb s GLY 181 CO 0.03 0.15 0.63 1.62 0.00 0.00 0.00 173.10 175.53 3fxb s GLN 182 N -2.04 1.19 -0.02 2.90 -0.44 -0.43 0.10 119.66 120.92 3fxb s GLN 182 Ca -0.08 -0.16 0.00 0.00 -2.50 0.00 0.00 55.36 52.62 3fxb s GLN 182 Cb -0.02 0.55 0.02 0.00 -1.64 0.00 0.00 33.01 31.92 3fxb s GLN 182 CO 0.01 -0.46 0.01 -1.83 0.50 0.00 0.00 175.29 173.51 3fxb s GLU 183 N -2.66 0.17 0.06 1.67 -1.05 -1.26 -0.23 118.70 115.40 3fxb s GLU 183 Ca -0.04 0.08 -0.27 0.00 -0.15 0.00 0.00 54.97 54.59 3fxb s GLU 183 Cb -0.01 -0.34 0.09 0.00 -0.44 0.00 0.00 34.13 33.43 3fxb s GLU 183 CO -0.03 -0.11 0.86 -0.80 0.95 0.00 0.00 175.26 176.13 3fxb s ASN 184 N 0.80 -0.35 1.00 0.83 0.01 -1.09 -4.94 114.94 111.20 3fxb s ASN 184 Ca -0.07 -0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 51.86 3fxb s ASN 184 Cb -0.11 0.45 0.19 0.00 0.41 0.00 0.00 41.25 42.19 3fxb s ASN 184 CO -0.02 -0.75 1.09 -2.16 -1.51 0.00 0.00 177.10 173.75 3fxb s PRO 185 N -3.27 0.38 0.22 -0.60 0.04 -1.26 -1.14 135.00 129.37 3fxb s PRO 185 Ca 0.06 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 3fxb s PRO 185 Cb -0.01 -1.68 0.22 0.00 0.04 0.00 0.00 34.50 33.07 3fxb s PRO 185 CO -0.07 -2.95 1.64 1.15 0.04 0.00 0.00 177.00 176.81 3fxb h THR 186 N -2.08 1.27 -0.88 1.26 2.02 -1.91 -2.23 112.91 110.36 3fxb h THR 186 Ca -0.51 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.30 3fxb h THR 186 Cb 1.29 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 3fxb h THR 186 CO 0.47 0.45 0.48 2.19 0.37 0.00 0.00 175.52 179.48 3fxb h PHE 187 N 0.61 1.21 0.10 3.16 -0.00 -1.91 -2.66 116.94 117.46 3fxb h PHE 187 Ca 0.08 -0.03 -0.27 0.00 -0.00 0.00 0.00 57.97 57.75 3fxb h PHE 187 Cb 0.75 -0.39 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 3fxb h PHE 187 CO 0.04 0.84 -1.30 0.35 -0.00 0.00 0.00 178.31 178.23 3fxb h PHE 188 N 1.23 0.40 0.00 6.09 3.57 -1.90 -0.98 116.94 125.35 3fxb h PHE 188 Ca 0.31 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3fxb h PHE 188 Cb 0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3fxb h PHE 188 CO 0.01 1.26 -0.05 1.28 -2.23 0.00 0.00 178.31 178.58 3fxb n LEU 189 N -3.47 0.06 -0.05 0.59 4.77 -0.85 -1.15 117.00 116.89 3fxb n LEU 189 Ca -0.10 0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 3fxb n LEU 189 Cb 1.02 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 3fxb n LEU 189 CO 0.52 0.01 -0.47 0.22 -1.33 0.00 0.00 177.39 176.34 3fxb h TYR 190 N 0.00 0.22 -0.96 -1.77 3.20 -1.41 -3.04 116.97 113.21 3fxb h TYR 190 Ca 0.00 -0.16 0.13 0.00 3.14 0.00 0.00 58.73 61.84 3fxb h TYR 190 Cb 0.50 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 3fxb h TYR 190 CO 0.00 1.52 0.58 1.03 -1.64 0.00 0.00 178.16 179.65 3fxb h SER 191 N -0.61 0.82 -0.19 -2.11 0.87 -0.99 -1.84 113.55 109.49 3fxb h SER 191 Ca -0.32 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3fxb h SER 191 Cb 1.54 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 3fxb h SER 191 CO -0.06 0.41 0.00 0.35 -0.53 0.00 0.00 176.83 177.00 3fxb n THR 192 N -4.69 0.24 -2.51 2.23 -2.24 -0.30 -4.93 114.28 102.07 3fxb n THR 192 Ca 0.18 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 3fxb n THR 192 Cb 0.38 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3fxb n THR 192 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fxb n LYS 193 N 0.36 -2.31 0.09 -0.78 4.76 -0.69 -4.84 118.16 114.75 3fxb n LYS 193 Ca 0.16 0.67 0.09 0.00 -2.87 0.00 0.00 58.31 56.36 3fxb n LYS 193 Cb 0.33 -5.30 0.40 0.00 -1.84 0.00 0.00 35.03 28.63 3fxb n LYS 193 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3fxb n ILE 194 N -3.57 1.08 0.39 -0.18 0.13 -1.15 -1.59 119.36 114.47 3fxb n ILE 194 Ca -0.15 0.38 0.13 0.00 -1.10 0.00 0.00 62.75 62.01 3fxb n ILE 194 Cb 0.62 -1.30 0.52 0.00 -0.84 0.00 0.00 39.64 38.64 3fxb n ILE 194 CO 0.00 0.00 0.00 0.10 2.80 0.00 0.00 176.55 179.45 3fxb h TYR 195 N 0.00 0.00 0.00 9.51 -0.00 -1.89 -2.71 116.97 121.88 3fxb h TYR 195 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 3fxb h TYR 195 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 3fxb h TYR 195 CO 0.00 0.00 -0.21 0.93 -0.00 0.00 0.00 178.16 178.88 3fxb h GLU 196 N 0.00 0.00 0.00 0.10 5.08 -1.67 -3.29 114.58 114.80 3fxb h GLU 196 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fxb h GLU 196 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3fxb h GLU 196 CO 0.00 0.21 -0.04 1.33 -1.00 0.00 0.00 179.01 179.51 3fxb n VAL 197 N -3.40 1.36 -4.23 3.13 0.24 -1.03 -5.03 118.33 109.37 3fxb n VAL 197 Ca -0.00 -1.57 -0.13 0.00 -2.04 0.00 0.00 64.34 60.60 3fxb n VAL 197 Cb 0.41 0.11 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 3fxb n VAL 197 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3fxb s THR 198 N -1.91 0.54 -0.02 3.34 -4.23 -1.15 -4.67 115.64 107.53 3fxb s THR 198 Ca 0.18 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3fxb s THR 198 Cb 0.16 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 3fxb s THR 198 CO 0.02 -0.40 0.02 0.47 -0.54 0.00 0.00 174.62 174.18 3fxb n ASP 199 N -0.24 4.40 -4.09 3.99 10.43 -0.71 -4.85 116.55 125.48 3fxb n ASP 199 Ca -0.05 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.05 3fxb n ASP 199 Cb 0.64 0.67 -0.16 0.00 1.84 0.00 0.00 41.12 44.10 3fxb n ASP 199 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3fxb s TYR 200 N -2.08 1.60 -0.13 1.24 2.02 0.37 -2.56 117.35 117.81 3fxb s TYR 200 Ca -0.01 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3fxb s TYR 200 Cb 0.01 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3fxb s TYR 200 CO 0.10 -0.21 -0.07 0.42 -1.57 0.00 0.00 175.55 174.23 3fxb s ILE 201 N 0.26 3.66 -0.09 2.71 1.01 -0.41 -1.31 121.20 127.02 3fxb s ILE 201 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3fxb s ILE 201 Cb -0.13 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.79 3fxb s ILE 201 CO 0.03 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.50 3fxb s THR 202 N 0.12 1.07 -0.55 2.92 2.01 0.94 -0.81 115.64 121.34 3fxb s THR 202 Ca -0.03 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 3fxb s THR 202 Cb -0.14 -1.03 0.13 0.00 0.01 0.00 0.00 72.50 71.47 3fxb s THR 202 CO 0.03 0.36 0.52 -0.31 -0.69 0.00 0.00 174.62 174.53 3fxb s TYR 203 N 1.17 3.24 -0.46 4.92 2.02 -0.18 -0.80 117.35 127.27 3fxb s TYR 203 Ca -0.05 -1.28 0.23 0.00 -0.37 0.00 0.00 57.07 55.60 3fxb s TYR 203 Cb -0.14 -3.81 0.06 0.00 -0.40 0.00 0.00 41.96 37.66 3fxb s TYR 203 CO -0.02 -1.04 1.04 0.00 -1.57 0.00 0.00 175.55 173.96 3fxb n ALA 204 N 5.30 3.02 -1.44 3.71 0.00 -1.26 -2.30 120.51 127.53 3fxb n ALA 204 Ca -0.13 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 3fxb n ALA 204 Cb 0.40 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3fxb n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxb n GLY 205 N 1.30 1.22 0.20 0.00 0.00 -1.26 -4.91 105.19 101.73 3fxb n GLY 205 Ca 0.01 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3fxb n GLY 205 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3fxb h HIS 206 N 0.00 0.00 -2.64 1.61 2.07 -1.94 -3.43 115.15 110.82 3fxb h HIS 206 Ca -0.26 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.19 3fxb h HIS 206 Cb 0.85 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.66 3fxb h HIS 206 CO 0.35 0.29 0.00 1.21 -3.07 0.00 0.00 177.93 176.72 3fxb s ASN 207 N -6.28 -0.44 -0.09 3.10 3.04 -1.26 -0.37 114.94 112.64 3fxb s ASN 207 Ca 0.02 0.29 -0.00 0.00 0.04 0.00 0.00 52.86 53.20 3fxb s ASN 207 Cb 0.09 0.46 -0.03 0.00 -1.54 0.00 0.00 41.25 40.24 3fxb s ASN 207 CO 0.67 -0.63 -0.07 0.21 -3.04 0.00 0.00 177.10 174.24 3fxb s ASN 208 N -1.64 4.59 -0.22 -4.21 3.84 -1.26 -0.87 114.94 115.17 3fxb s ASN 208 Ca -0.08 -0.08 -0.29 0.00 0.21 0.00 0.00 52.86 52.61 3fxb s ASN 208 Cb -0.01 -1.35 -0.01 0.00 -0.55 0.00 0.00 41.25 39.33 3fxb s ASN 208 CO 0.03 0.30 1.37 0.12 -2.79 0.00 0.00 177.10 176.12 3fxb s PHE 209 N -0.42 2.59 0.13 0.43 5.36 -0.36 -4.93 117.98 120.78 3fxb s PHE 209 Ca 0.06 0.81 0.05 0.00 -0.96 0.00 0.00 56.93 56.90 3fxb s PHE 209 Cb -0.12 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.74 3fxb s PHE 209 CO 0.02 -2.08 0.05 0.95 -1.46 0.00 0.00 175.22 172.71 3fxb s THR 210 N 4.18 4.17 0.15 0.12 -4.23 -1.26 -0.36 115.64 118.40 3fxb s THR 210 Ca 0.60 -1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 3fxb s THR 210 Cb -0.21 -3.06 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 3fxb s THR 210 CO 0.21 -0.01 0.27 0.28 -0.54 0.00 0.00 174.62 174.84 3fxb s THR 211 N -1.56 0.08 0.02 3.99 -1.32 -0.87 -4.26 115.64 111.72 3fxb s THR 211 Ca 0.28 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.50 3fxb s THR 211 Cb -0.11 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 3fxb s THR 211 CO 0.21 -0.37 -0.08 0.00 -2.21 0.00 0.00 174.62 172.16 3fxb s ALA 212 N -3.93 0.65 -0.11 11.08 0.00 -1.19 -1.55 121.76 126.71 3fxb s ALA 212 Ca 0.13 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3fxb s ALA 212 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3fxb s ALA 212 CO -0.03 0.10 -0.20 0.08 0.00 0.00 0.00 175.76 175.70 3fxb s VAL 213 N -0.67 2.40 0.15 0.00 1.01 -0.36 -1.55 120.40 121.38 3fxb s VAL 213 Ca -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3fxb s VAL 213 Cb -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3fxb s VAL 213 CO 0.00 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.72 3fxb s MET 214 N 0.36 1.01 0.12 2.72 0.23 -0.10 -0.98 119.30 122.66 3fxb s MET 214 Ca -0.16 -1.50 0.09 0.00 -1.03 0.00 0.00 55.69 53.09 3fxb s MET 214 Cb -0.17 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.30 3fxb s MET 214 CO 0.08 -0.28 -0.21 0.00 -2.03 0.00 0.00 175.02 172.58 3fxb s ALA 215 N -4.05 1.91 -0.09 3.16 0.00 -0.37 -0.83 121.76 121.49 3fxb s ALA 215 Ca 0.28 -1.33 -0.35 0.00 0.00 0.00 0.00 51.96 50.56 3fxb s ALA 215 Cb 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 23.12 22.83 3fxb s ALA 215 CO 0.04 0.34 1.82 -1.71 0.00 0.00 0.00 175.76 176.26 3fxb n ASN 216 N 0.85 3.24 -0.20 0.00 2.85 -0.45 0.41 115.26 121.96 3fxb n ASN 216 Ca -0.18 1.00 -0.09 0.00 -0.11 0.00 0.00 54.58 55.21 3fxb n ASN 216 Cb 0.54 -1.34 0.02 0.00 1.24 0.00 0.00 39.78 40.24 3fxb n ASN 216 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3fxb h LYS 217 N 8.54 0.96 -0.20 1.20 3.64 -1.71 0.98 116.57 129.97 3fxb h LYS 217 Ca -0.48 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 58.67 3fxb h LYS 217 Cb 1.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3fxb h LYS 217 CO 0.94 0.91 0.06 -0.44 -2.27 0.00 0.00 179.45 178.65 3fxb h ASP 218 N 0.85 0.05 0.03 4.20 3.32 -1.90 0.11 116.42 123.08 3fxb h ASP 218 Ca 0.18 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3fxb h ASP 218 Cb 0.41 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3fxb h ASP 218 CO 0.01 0.06 -0.17 0.15 -1.72 0.00 0.00 179.24 177.56 3fxb h PHE 219 N 0.15 -0.45 -0.61 4.55 3.57 -1.82 -2.00 116.94 120.33 3fxb h PHE 219 Ca 0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3fxb h PHE 219 Cb 0.07 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3fxb h PHE 219 CO -0.13 -0.25 0.39 -0.92 -2.23 0.00 0.00 178.31 175.17 3fxb h TYR 220 N -0.30 0.74 0.00 0.41 3.20 -0.49 -1.32 116.97 119.20 3fxb h TYR 220 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fxb h TYR 220 Cb 0.35 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3fxb h TYR 220 CO -0.21 0.45 0.00 -0.44 -1.64 0.00 0.00 178.16 176.32 3fxb h ASP 221 N 0.79 0.00 1.52 -2.11 3.45 -0.70 -2.36 116.42 117.02 3fxb h ASP 221 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 3fxb h ASP 221 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3fxb h ASP 221 CO -0.07 0.00 0.00 1.23 -1.57 0.00 0.00 179.24 178.83 3fxb h GLY 222 N 1.59 0.00 -1.74 2.75 0.00 -0.46 -3.46 103.07 101.75 3fxb h GLY 222 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3fxb h GLY 222 CO 0.00 0.00 0.38 1.08 0.00 0.00 0.00 176.54 178.00 3fxb s LEU 223 N -5.06 3.57 0.76 3.11 1.43 -0.89 -5.05 118.68 116.55 3fxb s LEU 223 Ca 0.09 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 3fxb s LEU 223 Cb 0.10 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.85 3fxb s LEU 223 CO 0.59 -0.82 1.08 -0.94 0.23 0.00 0.00 176.35 176.50 3fxb s SER 224 N -2.97 4.67 0.48 2.29 1.04 -1.26 -4.76 113.70 113.19 3fxb s SER 224 Ca 0.61 1.75 0.18 0.00 0.48 0.00 0.00 55.95 58.96 3fxb s SER 224 Cb -0.12 -2.49 1.19 0.00 0.10 0.00 0.00 66.02 64.69 3fxb s SER 224 CO 0.34 -1.92 2.01 0.00 0.98 0.00 0.00 173.24 174.65 3fxb h ALA 225 N -1.05 2.17 -0.14 5.32 0.00 -1.98 0.10 119.26 123.69 3fxb h ALA 225 Ca -0.44 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 3fxb h ALA 225 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fxb h ALA 225 CO 0.53 -0.29 -0.49 0.93 0.00 0.00 0.00 179.25 179.93 3fxb h GLU 226 N 0.21 0.58 -0.56 0.00 3.07 -1.99 -2.63 114.58 113.26 3fxb h GLU 226 Ca 0.22 -0.43 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 3fxb h GLU 226 Cb 0.61 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 3fxb h GLU 226 CO -0.04 1.06 0.09 -0.44 -1.40 0.00 0.00 179.01 178.28 3fxb h ASP 227 N 0.22 0.88 -0.46 1.42 3.32 -1.64 -0.00 116.42 120.16 3fxb h ASP 227 Ca -0.02 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3fxb h ASP 227 Cb 1.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3fxb h ASP 227 CO 0.10 0.92 0.25 1.56 -1.72 0.00 0.00 179.24 180.35 3fxb h GLN 228 N 0.82 0.64 -0.57 3.56 4.20 -0.91 -1.63 115.11 121.22 3fxb h GLN 228 Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3fxb h GLN 228 Cb 0.41 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3fxb h GLN 228 CO 0.01 0.51 0.34 0.37 -0.67 0.00 0.00 178.83 179.39 3fxb h GLN 229 N 0.61 0.77 -0.77 1.46 5.75 -1.36 -1.54 115.11 120.04 3fxb h GLN 229 Ca 0.16 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.70 3fxb h GLN 229 Cb 0.05 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 28.36 3fxb h GLN 229 CO -0.03 0.56 0.39 1.25 -2.65 0.00 0.00 178.83 178.35 3fxb h LEU 230 N 0.77 0.50 0.02 -2.39 5.85 -0.58 0.19 115.31 119.66 3fxb h LEU 230 Ca 0.20 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3fxb h LEU 230 Cb -0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3fxb h LEU 230 CO -0.04 0.26 -0.01 0.58 -0.34 0.00 0.00 178.44 178.89 3fxb h VAL 231 N 0.63 1.16 -0.85 1.05 2.07 -0.93 -1.53 116.25 117.84 3fxb h VAL 231 Ca 0.39 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.45 3fxb h VAL 231 Cb 0.45 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3fxb h VAL 231 CO -0.30 0.14 0.52 1.56 0.02 0.00 0.00 177.57 179.51 3fxb h GLN 232 N -0.25 0.91 -0.43 1.57 1.08 -0.65 0.22 115.11 117.55 3fxb h GLN 232 Ca -0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3fxb h GLN 232 Cb 0.24 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3fxb h GLN 232 CO 0.00 0.60 0.24 -0.91 -0.95 0.00 0.00 178.83 177.81 3fxb h ASN 233 N 0.93 0.53 -0.07 1.46 2.35 -0.58 -2.17 115.58 118.04 3fxb h ASN 233 Ca 0.38 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 3fxb h ASN 233 Cb 0.20 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3fxb h ASN 233 CO -0.19 0.47 -0.25 0.00 -1.65 0.00 0.00 177.43 175.81 3fxb h ALA 234 N 1.09 1.08 -0.30 -0.83 0.00 -0.55 -1.63 119.26 118.12 3fxb h ALA 234 Ca 0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3fxb h ALA 234 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fxb h ALA 234 CO -0.02 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 3fxb h ALA 235 N 1.29 0.42 -0.45 0.00 0.00 -0.87 -1.35 119.26 118.31 3fxb h ALA 235 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3fxb h ALA 235 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fxb h ALA 235 CO 0.05 0.31 -0.11 1.25 0.00 0.00 0.00 179.25 180.74 3fxb h LEU 236 N 0.38 0.80 -0.61 0.00 5.85 -1.29 -0.97 115.31 119.48 3fxb h LEU 236 Ca 0.07 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 3fxb h LEU 236 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3fxb h LEU 236 CO 0.04 0.93 -0.40 0.00 -0.34 0.00 0.00 178.44 178.67 3fxb h ALA 237 N 1.14 0.79 -0.36 1.25 0.00 -1.26 -2.51 119.26 118.31 3fxb h ALA 237 Ca 0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3fxb h ALA 237 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fxb h ALA 237 CO 0.04 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.64 3fxb h ALA 238 N 1.03 0.77 0.29 0.00 0.00 -1.10 -2.75 119.26 117.49 3fxb h ALA 238 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3fxb h ALA 238 Cb 0.93 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3fxb h ALA 238 CO 0.08 0.65 -0.14 -0.92 0.00 0.00 0.00 179.25 178.93 3fxb h TYR 239 N 0.67 -0.36 -1.00 0.00 3.20 -1.03 -0.51 116.97 117.95 3fxb h TYR 239 Ca 0.08 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3fxb h TYR 239 Cb 0.84 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 3fxb h TYR 239 CO 0.05 -0.21 0.65 -0.44 -1.64 0.00 0.00 178.16 176.57 3fxb h ASP 240 N -0.40 1.07 -0.34 -2.11 3.32 -1.49 -1.36 116.42 115.12 3fxb h ASP 240 Ca -0.04 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3fxb h ASP 240 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fxb h ASP 240 CO 0.06 0.71 -0.36 -0.74 -1.72 0.00 0.00 179.24 177.20 3fxb h HIS 241 N 1.23 1.05 -0.23 4.55 2.76 -1.36 -3.24 115.15 119.91 3fxb h HIS 241 Ca 0.41 -0.30 -0.11 0.00 -2.20 0.00 0.00 60.37 58.17 3fxb h HIS 241 Cb 0.07 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 3fxb h HIS 241 CO -0.00 1.11 -0.29 1.15 -1.30 0.00 0.00 177.93 178.60 3fxb h THR 242 N 0.73 1.32 -0.91 6.26 2.02 -0.53 -2.96 112.91 118.84 3fxb h THR 242 Ca 0.07 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.78 3fxb h THR 242 Cb 0.94 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 3fxb h THR 242 CO 0.09 0.46 0.60 -0.37 0.37 0.00 0.00 175.52 176.67 3fxb h VAL 243 N 0.31 1.23 0.15 3.16 -1.51 -1.35 -0.04 116.25 118.19 3fxb h VAL 243 Ca 0.03 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 3fxb h VAL 243 Cb 0.86 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 3fxb h VAL 243 CO 0.07 0.22 -0.07 0.58 -1.23 0.00 0.00 177.57 177.14 3fxb h VAL 244 N 1.22 0.89 -0.18 7.19 2.07 -1.59 -2.84 116.25 123.01 3fxb h VAL 244 Ca 0.33 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.73 3fxb h VAL 244 Cb -0.13 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3fxb h VAL 244 CO -0.07 0.03 0.10 0.22 0.02 0.00 0.00 177.57 177.87 3fxb h TYR 245 N -0.26 0.20 0.00 1.57 3.20 -1.26 -2.95 116.97 117.47 3fxb h TYR 245 Ca -0.02 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3fxb h TYR 245 Cb 0.20 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3fxb h TYR 245 CO -0.05 0.12 -0.10 -0.56 -1.64 0.00 0.00 178.16 175.93 3fxb h GLN 246 N 0.22 0.00 -0.08 1.82 -0.00 -1.04 -2.24 115.11 113.78 3fxb h GLN 246 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 3fxb h GLN 246 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.47 3fxb h GLN 246 CO -0.03 0.10 -0.03 1.96 -0.00 0.00 0.00 178.83 180.83 3fxb h GLN 247 N 0.00 0.16 -0.97 0.06 4.20 -1.33 -2.95 115.11 114.28 3fxb h GLN 247 Ca -0.00 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.75 3fxb h GLN 247 Cb 0.48 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 3fxb h GLN 247 CO 0.01 0.50 0.61 1.96 -0.67 0.00 0.00 178.83 181.24 3fxb h GLN 248 N -0.19 0.97 0.95 1.46 7.50 -1.34 -2.83 115.11 121.64 3fxb h GLN 248 Ca 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.06 3fxb h GLN 248 Cb 0.44 -0.22 0.01 0.00 0.05 0.00 0.00 27.48 27.77 3fxb h GLN 248 CO 0.01 0.64 -0.46 0.00 -1.50 0.00 0.00 178.83 177.52 3fxb h ALA 249 N 1.50 -1.28 -0.93 3.87 0.00 -1.40 -2.74 119.26 118.28 3fxb h ALA 249 Ca 0.46 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.31 3fxb h ALA 249 Cb 0.39 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 3fxb h ALA 249 CO -0.24 -1.21 0.62 0.00 0.00 0.00 0.00 179.25 178.42 3fxb h ALA 250 N -1.26 2.25 -0.00 0.00 0.00 -1.51 0.29 119.26 119.03 3fxb h ALA 250 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fxb h ALA 250 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fxb h ALA 250 CO 0.22 -0.55 -0.01 -0.40 0.00 0.00 0.00 179.25 178.50 3fxb n ASP 251 N -4.51 0.14 0.00 0.00 5.75 -1.07 -4.30 116.55 112.55 3fxb n ASP 251 Ca 0.20 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 3fxb n ASP 251 Cb 0.75 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3fxb n ASP 251 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3fxb n THR 252 N -0.98 0.00 0.06 2.12 -2.24 -0.37 -4.93 114.28 107.95 3fxb n THR 252 Ca 0.21 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.96 3fxb n THR 252 Cb 0.17 -0.02 0.20 0.00 -2.10 0.00 0.00 70.33 68.58 3fxb n THR 252 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3fxb h GLU 253 N 0.00 0.33 -0.57 -0.78 4.39 -1.19 -2.94 114.58 113.82 3fxb h GLU 253 Ca 0.00 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3fxb h GLU 253 Cb 0.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3fxb h GLU 253 CO 0.00 0.67 0.34 1.25 -1.16 0.00 0.00 179.01 180.11 3fxb h LEU 254 N 0.28 0.68 -2.06 1.33 5.85 -1.82 -1.37 115.31 118.20 3fxb h LEU 254 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fxb h LEU 254 Cb 0.80 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3fxb h LEU 254 CO 0.06 0.53 -0.03 0.00 -0.34 0.00 0.00 178.44 178.66 3fxb h ALA 255 N 1.59 1.81 0.11 1.25 0.00 -1.89 -2.34 119.26 119.78 3fxb h ALA 255 Ca 0.21 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 3fxb h ALA 255 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fxb h ALA 255 CO -0.04 0.04 -1.19 0.87 0.00 0.00 0.00 179.25 178.93 3fxb h LYS 256 N 0.00 0.28 -0.31 0.00 1.57 -1.35 -2.52 116.57 114.23 3fxb h LYS 256 Ca -0.00 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3fxb h LYS 256 Cb 0.06 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3fxb h LYS 256 CO 0.00 1.19 0.17 0.82 -0.57 0.00 0.00 179.45 181.07 3fxb h ILE 257 N 0.09 1.14 0.00 1.86 2.04 -1.13 -1.49 117.51 120.01 3fxb h ILE 257 Ca -0.12 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3fxb h ILE 257 Cb 1.91 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3fxb h ILE 257 CO 0.20 0.14 -0.23 0.24 0.00 0.00 0.00 178.15 178.50 3fxb h MET 258 N 0.38 0.00 -0.09 2.37 2.86 -1.50 0.68 114.93 119.63 3fxb h MET 258 Ca 0.11 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 3fxb h MET 258 Cb 0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.74 3fxb h MET 258 CO -0.02 0.23 -0.52 1.49 1.06 0.00 0.00 176.91 179.15 3fxb h GLU 259 N 0.00 0.52 0.00 1.72 4.22 -1.10 -2.63 114.58 117.31 3fxb h GLU 259 Ca -0.00 -0.43 -0.18 0.00 0.08 0.00 0.00 59.36 58.83 3fxb h GLU 259 Cb 0.52 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3fxb h GLU 259 CO 0.03 1.06 -0.85 0.00 -2.18 0.00 0.00 179.01 177.07 3fxb h ALA 260 N 0.46 0.50 -2.55 2.92 0.00 -1.10 -3.40 119.26 116.09 3fxb h ALA 260 Ca -0.04 -0.77 -0.58 0.00 0.00 0.00 0.00 54.91 53.51 3fxb h ALA 260 Cb 1.17 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.44 3fxb h ALA 260 CO 0.11 1.06 -0.87 0.21 0.00 0.00 0.00 179.25 179.75 3fxb s LYS 261 N -2.89 0.69 0.55 0.00 2.20 0.22 -5.01 119.74 115.50 3fxb s LYS 261 Ca 0.01 -1.58 0.32 0.00 -0.36 0.00 0.00 55.97 54.36 3fxb s LYS 261 Cb 0.10 -1.40 1.55 0.00 -1.51 0.00 0.00 37.83 36.57 3fxb s LYS 261 CO 0.80 -1.25 2.08 -1.00 -0.36 0.00 0.00 175.35 175.61 3fxb h PRO 262 N 6.63 0.00 0.00 4.03 0.13 -1.69 -2.78 132.00 138.32 3fxb h PRO 262 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3fxb h PRO 262 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3fxb h PRO 262 CO 0.30 0.08 0.00 0.93 -0.23 0.00 0.00 178.00 179.08 3fxb h GLU 263 N 0.00 0.00 -6.44 0.86 3.07 -1.95 -3.46 114.58 106.66 3fxb h GLU 263 Ca -0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3fxb h GLU 263 Cb 0.37 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.38 3fxb h GLU 263 CO 0.01 0.00 0.24 -0.12 -1.40 0.00 0.00 179.01 177.74 3fxb n MET 264 N -2.87 1.37 -3.51 2.33 1.56 -1.05 -4.93 117.12 110.02 3fxb n MET 264 Ca 0.03 0.48 -0.42 0.00 -0.27 0.00 0.00 57.70 57.52 3fxb n MET 264 Cb 0.39 -1.94 -0.10 0.00 2.15 0.00 0.00 33.22 33.72 3fxb n MET 264 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 3fxb s GLN 265 N -0.99 2.85 -0.31 2.12 2.00 -1.06 -5.04 119.66 119.24 3fxb s GLN 265 Ca 0.65 -1.22 -0.05 0.00 -2.00 0.00 0.00 55.36 52.74 3fxb s GLN 265 Cb -0.75 -3.90 0.03 0.00 0.80 0.00 0.00 33.01 29.19 3fxb s GLN 265 CO 0.56 -0.85 0.05 0.08 -0.50 0.00 0.00 175.29 174.62 3fxb s VAL 266 N 1.58 3.49 -0.15 1.34 1.01 -1.26 -1.29 120.40 125.11 3fxb s VAL 266 Ca 0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3fxb s VAL 266 Cb -0.21 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3fxb s VAL 266 CO 0.06 -0.05 -0.10 -0.89 0.00 0.00 0.00 175.10 174.12 3fxb s THR 267 N 1.37 3.27 -0.31 3.92 2.01 0.01 -4.99 115.64 120.91 3fxb s THR 267 Ca -0.01 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 3fxb s THR 267 Cb -0.19 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 69.95 3fxb s THR 267 CO 0.01 0.50 0.07 0.54 -0.69 0.00 0.00 174.62 175.05 3fxb s VAL 268 N 0.51 3.70 0.27 3.82 0.11 -1.26 -1.01 120.40 126.54 3fxb s VAL 268 Ca -0.07 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.70 3fxb s VAL 268 Cb -0.15 -3.01 -0.10 0.00 -1.53 0.00 0.00 36.38 31.59 3fxb s VAL 268 CO 0.04 -0.04 1.26 -0.76 -3.33 0.00 0.00 175.10 172.26 3fxb s LEU 269 N 1.42 4.45 0.81 2.54 1.43 -0.97 -4.97 118.68 123.40 3fxb s LEU 269 Ca -0.00 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 3fxb s LEU 269 Cb -0.18 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.48 3fxb s LEU 269 CO 0.02 -0.43 1.09 0.42 0.23 0.00 0.00 176.35 177.67 3fxb s THR 270 N -0.71 3.12 0.38 5.49 -4.23 -1.26 -4.81 115.64 113.62 3fxb s THR 270 Ca 0.50 0.36 0.09 0.00 -1.18 0.00 0.00 61.69 61.47 3fxb s THR 270 Cb -0.37 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 70.84 3fxb s THR 270 CO 0.45 -0.48 1.93 0.44 -0.54 0.00 0.00 174.62 176.42 3fxb h ASP 271 N -1.21 0.59 -0.48 3.99 3.32 -1.97 0.10 116.42 120.75 3fxb h ASP 271 Ca -0.47 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.66 3fxb h ASP 271 Cb 1.26 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 3fxb h ASP 271 CO 0.55 0.34 0.20 -0.08 -1.72 0.00 0.00 179.24 178.54 3fxb h GLU 272 N 0.65 0.39 0.00 3.56 4.81 -2.02 -2.66 114.58 119.30 3fxb h GLU 272 Ca 0.36 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3fxb h GLU 272 Cb 0.51 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3fxb h GLU 272 CO -0.13 0.26 -0.26 1.96 -0.73 0.00 0.00 179.01 180.10 3fxb h GLN 273 N 0.40 0.00 -0.00 1.92 4.20 -1.42 -3.19 115.11 117.02 3fxb h GLN 273 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3fxb h GLN 273 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fxb h GLN 273 CO -0.20 0.26 -0.11 0.54 -0.67 0.00 0.00 178.83 178.66 3fxb n ARG 274 N -3.28 0.35 -0.18 1.46 1.74 -0.16 -4.35 116.66 112.24 3fxb n ARG 274 Ca 0.01 -0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.00 3fxb n ARG 274 Cb 0.53 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 3fxb n ARG 274 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3fxb h SER 275 N 0.21 -0.06 0.39 0.55 4.64 -1.50 -1.45 113.55 116.32 3fxb h SER 275 Ca 0.00 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 3fxb h SER 275 Cb 0.40 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3fxb h SER 275 CO 0.00 -0.01 -0.29 0.00 -0.87 0.00 0.00 176.83 175.66 3fxb h PHE 277 N 0.00 1.01 0.00 0.00 0.04 -1.58 -2.97 116.94 113.44 3fxb h PHE 277 Ca -0.00 -0.46 -0.06 0.00 2.80 0.00 0.00 57.97 60.25 3fxb h PHE 277 Cb 0.57 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3fxb h PHE 277 CO 0.00 1.28 -0.30 0.87 -0.60 0.00 0.00 178.31 179.56 3fxb h LYS 278 N 0.50 0.00 -0.28 1.51 1.57 -1.18 -2.78 116.57 115.90 3fxb h LYS 278 Ca -0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3fxb h LYS 278 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 3fxb h LYS 278 CO 0.16 0.30 -0.36 0.93 -0.57 0.00 0.00 179.45 179.91 3fxb h GLU 279 N 0.00 0.64 0.00 3.15 5.08 -1.35 -2.85 114.58 119.26 3fxb h GLU 279 Ca -0.00 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 3fxb h GLU 279 Cb 0.86 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3fxb h GLU 279 CO 0.04 0.91 -0.18 0.00 -1.00 0.00 0.00 179.01 178.77 3fxb h ALA 280 N 1.06 1.01 -0.15 3.43 0.00 -1.35 -3.25 119.26 120.02 3fxb h ALA 280 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fxb h ALA 280 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3fxb h ALA 280 CO 0.08 0.23 -0.15 0.00 0.00 0.00 0.00 179.25 179.40 3fxb h ALA 281 N 1.82 1.48 -0.01 0.00 0.00 -1.24 -2.30 119.26 119.00 3fxb h ALA 281 Ca -0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 3fxb h ALA 281 Cb 0.72 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3fxb h ALA 281 CO 0.02 0.37 -0.99 0.00 0.00 0.00 0.00 179.25 178.65 3fxb h ALA 282 N 1.63 0.23 0.00 0.00 0.00 -1.65 -2.75 119.26 116.72 3fxb h ALA 282 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 3fxb h ALA 282 Cb 0.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3fxb h ALA 282 CO 0.02 0.73 -0.47 1.05 0.00 0.00 0.00 179.25 180.59 3fxb h GLU 283 N 0.35 0.00 -0.37 0.00 4.11 -1.68 -2.02 114.58 114.96 3fxb h GLU 283 Ca -0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.18 3fxb h GLU 283 Cb 1.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3fxb h GLU 283 CO 0.19 0.47 -0.34 0.28 0.07 0.00 0.00 179.01 179.68 3fxb h VAL 284 N 0.00 1.28 -0.66 -1.06 2.07 -1.48 -2.19 116.25 114.21 3fxb h VAL 284 Ca -0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3fxb h VAL 284 Cb 1.24 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3fxb h VAL 284 CO 0.06 0.50 0.38 -0.08 0.02 0.00 0.00 177.57 178.46 3fxb h GLU 285 N 0.70 0.90 -0.66 1.57 4.81 -1.33 -1.22 114.58 119.35 3fxb h GLU 285 Ca 0.06 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3fxb h GLU 285 Cb 0.93 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3fxb h GLU 285 CO 0.09 0.66 0.37 0.00 -0.73 0.00 0.00 179.01 179.39 3fxb h ALA 286 N 1.19 1.42 -0.54 2.92 0.00 -1.34 -2.46 119.26 120.45 3fxb h ALA 286 Ca 0.23 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3fxb h ALA 286 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3fxb h ALA 286 CO -0.04 0.49 -0.02 0.87 0.00 0.00 0.00 179.25 180.54 3fxb h LYS 287 N 0.91 0.93 -0.74 0.00 1.79 -0.75 -3.04 116.57 115.67 3fxb h LYS 287 Ca 0.23 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 3fxb h LYS 287 Cb 0.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3fxb h LYS 287 CO -0.04 0.94 0.32 0.35 -1.08 0.00 0.00 179.45 179.94 3fxb h PHE 288 N 0.85 1.10 -0.72 -1.35 3.57 -0.79 -2.37 116.94 117.24 3fxb h PHE 288 Ca 0.15 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3fxb h PHE 288 Cb 0.54 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3fxb h PHE 288 CO 0.03 0.82 0.35 0.82 -2.23 0.00 0.00 178.31 178.11 3fxb h ILE 289 N 1.07 1.23 -0.75 1.41 1.08 -1.43 -2.69 117.51 117.43 3fxb h ILE 289 Ca 0.25 -0.64 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 3fxb h ILE 289 Cb 0.17 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3fxb h ILE 289 CO -0.03 0.27 0.22 -0.33 -0.69 0.00 0.00 178.15 177.60 3fxb h GLU 290 N 1.00 1.17 -0.01 2.37 5.08 -1.36 -2.75 114.58 120.08 3fxb h GLU 290 Ca 0.25 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3fxb h GLU 290 Cb 0.10 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3fxb h GLU 290 CO -0.03 1.00 -0.34 0.52 -1.00 0.00 0.00 179.01 179.15 3fxb h MET 291 N 1.12 0.25 -0.01 2.33 2.86 -1.33 -3.36 114.93 116.79 3fxb h MET 291 Ca 0.24 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3fxb h MET 291 Cb 0.32 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3fxb h MET 291 CO -0.01 0.96 -0.29 0.25 1.06 0.00 0.00 176.91 178.89 3fxb n THR 292 N -4.43 0.00 -4.59 2.22 -2.24 -1.02 -5.06 114.28 99.16 3fxb n THR 292 Ca -0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3fxb n THR 292 Cb 0.54 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3fxb n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fxb n GLY 293 N 1.35 -0.19 0.11 3.38 0.00 -1.04 -3.32 105.19 105.50 3fxb n GLY 293 Ca 0.12 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.22 3fxb n GLY 293 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fxb n ASP 294 N -1.72 0.68 0.25 1.61 5.75 -1.26 -2.90 116.55 118.96 3fxb n ASP 294 Ca 0.00 0.62 -0.15 0.00 -0.01 0.00 0.00 54.79 55.25 3fxb n ASP 294 Cb 0.00 -0.78 -0.08 0.00 -1.03 0.00 0.00 41.12 39.22 3fxb n ASP 294 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 3fxb h SER 295 N 0.00 -0.52 0.99 -1.12 0.87 -1.97 -3.16 113.55 108.63 3fxb h SER 295 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3fxb h SER 295 Cb 0.50 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3fxb h SER 295 CO 0.00 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 3fxb n GLY 296 N -0.87 -1.43 0.28 5.77 0.00 -1.21 -3.46 105.19 104.27 3fxb n GLY 296 Ca -0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3fxb n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxb h ALA 297 N 2.72 0.67 0.00 4.61 0.00 -1.50 -2.58 119.26 123.18 3fxb h ALA 297 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3fxb h ALA 297 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fxb h ALA 297 CO 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.67 3fxb h ALA 298 N 0.86 1.26 -0.26 0.00 0.00 -1.58 -2.58 119.26 116.97 3fxb h ALA 298 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3fxb h ALA 298 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3fxb h ALA 298 CO 0.07 0.32 -0.31 0.82 0.00 0.00 0.00 179.25 180.16 3fxb h ILE 299 N 0.00 1.31 -0.58 0.00 2.04 -1.63 -2.69 117.51 115.96 3fxb h ILE 299 Ca -0.00 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.31 3fxb h ILE 299 Cb 0.58 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3fxb h ILE 299 CO 0.03 0.47 0.16 0.25 0.00 0.00 0.00 178.15 179.06 3fxb h LEU 300 N 0.38 0.87 0.08 1.44 5.85 -1.22 -0.80 115.31 121.91 3fxb h LEU 300 Ca 0.03 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3fxb h LEU 300 Cb 0.88 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3fxb h LEU 300 CO 0.07 0.87 -0.04 0.50 -0.34 0.00 0.00 178.44 179.50 3fxb h LYS 301 N 0.83 -0.10 -0.76 1.25 3.64 -1.51 -2.14 116.57 117.78 3fxb h LYS 301 Ca 0.18 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3fxb h LYS 301 Cb 0.32 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3fxb h LYS 301 CO -0.00 -0.03 0.30 0.37 -2.27 0.00 0.00 179.45 177.82 3fxb h GLN 302 N -0.15 1.14 -0.79 1.90 5.75 -1.41 -1.76 115.11 119.79 3fxb h GLN 302 Ca -0.01 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3fxb h GLN 302 Cb 0.12 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 3fxb h GLN 302 CO 0.02 0.93 0.51 0.52 -2.65 0.00 0.00 178.83 178.16 3fxb h MET 303 N 1.10 0.82 -0.17 1.69 2.86 -1.02 0.18 114.93 120.39 3fxb h MET 303 Ca 0.25 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.67 3fxb h MET 303 Cb 0.22 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3fxb h MET 303 CO -0.02 0.54 -0.61 0.87 1.06 0.00 0.00 176.91 178.75 3fxb h LYS 304 N 0.84 0.58 -0.08 1.72 1.57 -0.76 -2.34 116.57 118.11 3fxb h LYS 304 Ca 0.34 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3fxb h LYS 304 Cb 0.25 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3fxb h LYS 304 CO -0.12 1.01 -0.55 0.00 -0.57 0.00 0.00 179.45 179.23 3fxb h ALA 305 N 0.90 0.93 -0.39 3.86 0.00 -0.50 -2.39 119.26 121.66 3fxb h ALA 305 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 3fxb h ALA 305 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3fxb h ALA 305 CO 0.12 0.69 -0.36 -0.44 0.00 0.00 0.00 179.25 179.25 3fxb h ASP 306 N 0.18 1.00 -0.72 0.00 3.32 -0.62 -2.16 116.42 117.42 3fxb h ASP 306 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3fxb h ASP 306 Cb 1.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3fxb h ASP 306 CO 0.08 1.25 0.37 -0.07 -1.72 0.00 0.00 179.24 179.15 3fxb h LEU 307 N 0.76 0.92 -0.47 1.55 3.38 -1.35 -2.98 115.31 117.12 3fxb h LEU 307 Ca 0.07 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3fxb h LEU 307 Cb 0.95 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3fxb h LEU 307 CO 0.09 0.78 -0.17 0.00 0.09 0.00 0.00 178.44 179.23 3fxb h ALA 308 N 1.18 0.65 0.00 1.53 0.00 -1.38 -3.00 119.26 118.25 3fxb h ALA 308 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fxb h ALA 308 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fxb h ALA 308 CO -0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3fxb n ALA 309 N -2.50 2.54 -0.59 0.00 0.00 -0.82 -5.11 120.51 114.03 3fxb n ALA 309 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3fxb n ALA 309 Cb 0.43 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3fxb n ALA 309 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13