#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxw s ALA 1 N 0.00 2.16 0.70 -5.12 0.00 -1.26 -4.82 121.76 113.43 1bxw s ALA 1 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1bxw s ALA 1 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1bxw s ALA 1 CO 0.00 -1.80 0.79 -2.30 0.00 0.00 0.00 175.76 172.45 1bxw n PRO 2 N -3.51 0.46 -1.44 0.00 -0.02 -1.26 -4.92 135.00 124.31 1bxw n PRO 2 Ca 0.08 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 1bxw n PRO 2 Cb 0.54 -2.05 0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1bxw n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bxw s LYS 3 N -3.01 2.11 0.04 -0.52 1.02 -1.26 -4.74 119.74 113.39 1bxw s LYS 3 Ca 0.70 1.88 -0.08 0.00 0.02 0.00 0.00 55.97 58.50 1bxw s LYS 3 Cb -0.36 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1bxw s LYS 3 CO 0.53 -1.88 1.09 -0.25 -0.92 0.00 0.00 175.35 173.92 1bxw n ASP 4 N -2.60 -0.29 -3.05 2.83 9.92 -1.26 -2.66 116.55 119.43 1bxw n ASP 4 Ca 0.14 1.16 -0.32 0.00 -0.53 0.00 0.00 54.79 55.24 1bxw n ASP 4 Cb 0.49 -0.40 -0.01 0.00 -0.64 0.00 0.00 41.12 40.56 1bxw n ASP 4 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1bxw n ASN 5 N -3.59 5.55 -4.61 -2.24 4.13 -1.26 -3.87 115.26 109.37 1bxw n ASN 5 Ca 0.01 -3.71 -0.24 0.00 1.68 0.00 0.00 54.58 52.31 1bxw n ASN 5 Cb 0.07 -0.75 -0.09 0.00 -1.54 0.00 0.00 39.78 37.47 1bxw n ASN 5 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1bxw s THR 6 N -4.66 2.67 0.23 3.41 -4.23 -1.09 -4.94 115.64 107.04 1bxw s THR 6 Ca 0.46 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1bxw s THR 6 Cb 0.29 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1bxw s THR 6 CO -0.17 -0.24 0.22 0.26 -0.54 0.00 0.00 174.62 174.15 1bxw s TRP 7 N -2.50 3.20 0.15 3.99 0.52 -1.26 -0.26 118.94 122.79 1bxw s TRP 7 Ca 0.34 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 56.29 1bxw s TRP 7 Cb -0.01 -1.47 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 1bxw s TRP 7 CO 0.19 0.51 0.31 1.52 0.02 0.00 0.00 176.95 179.49 1bxw s TYR 8 N -2.01 0.25 0.05 -1.98 1.13 -0.76 -2.19 117.35 111.84 1bxw s TYR 8 Ca 0.33 -0.62 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 1bxw s TYR 8 Cb -0.09 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1bxw s TYR 8 CO 0.26 -0.72 0.07 0.95 -2.51 0.00 0.00 175.55 173.60 1bxw s THR 9 N -3.93 0.16 0.30 -3.49 -4.23 -0.83 -1.09 115.64 102.52 1bxw s THR 9 Ca 0.13 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 59.15 1bxw s THR 9 Cb 0.03 -1.15 0.07 0.00 1.34 0.00 0.00 72.50 72.79 1bxw s THR 9 CO -0.03 -0.73 0.89 0.61 -0.54 0.00 0.00 174.62 174.83 1bxw n GLY 10 N 0.43 0.81 3.10 3.99 0.00 0.11 -0.19 105.19 113.45 1bxw n GLY 10 Ca -0.17 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1bxw n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxw s ALA 11 N -2.05 0.60 0.07 4.61 0.00 -0.58 -0.71 121.76 123.70 1bxw s ALA 11 Ca 0.19 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1bxw s ALA 11 Cb -0.04 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1bxw s ALA 11 CO 0.09 -0.38 0.24 -1.59 0.00 0.00 0.00 175.76 174.12 1bxw s LYS 12 N -3.93 0.83 -0.14 0.00 -2.85 -0.62 -2.19 119.74 110.84 1bxw s LYS 12 Ca 0.10 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 1bxw s LYS 12 Cb 0.08 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1bxw s LYS 12 CO -0.08 -0.27 -0.14 -0.51 0.10 0.00 0.00 175.35 174.46 1bxw s LEU 13 N -2.51 2.64 0.27 2.77 1.43 -0.75 -2.11 118.68 120.42 1bxw s LEU 13 Ca 0.00 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1bxw s LEU 13 Cb 0.02 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1bxw s LEU 13 CO -0.08 0.14 -0.15 -0.83 0.23 0.00 0.00 176.35 175.66 1bxw s GLY 14 N 0.47 1.81 -0.01 -3.19 0.00 0.23 -2.33 107.32 104.29 1bxw s GLY 14 Ca -0.10 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.77 1bxw s GLY 14 CO 0.05 -1.91 -0.01 0.66 0.00 0.00 0.00 173.10 171.89 1bxw s TRP 15 N -2.71 0.21 -0.08 1.90 -2.14 -0.62 -0.94 118.94 114.55 1bxw s TRP 15 Ca 0.28 -0.02 0.00 0.00 2.66 0.00 0.00 56.10 59.03 1bxw s TRP 15 Cb -0.02 -0.19 0.02 0.00 -3.10 0.00 0.00 33.47 30.18 1bxw s TRP 15 CO 0.13 -0.04 -0.06 0.45 -2.66 0.00 0.00 176.95 174.77 1bxw s SER 16 N 0.27 1.63 0.09 -2.66 0.15 0.87 -1.58 113.70 112.48 1bxw s SER 16 Ca -0.02 -0.20 0.18 0.00 0.70 0.00 0.00 55.95 56.60 1bxw s SER 16 Cb -0.05 -0.64 0.75 0.00 -1.71 0.00 0.00 66.02 64.38 1bxw s SER 16 CO -0.01 -0.09 1.56 1.67 1.20 0.00 0.00 173.24 177.57 1bxw n GLN 17 N 4.53 0.07 0.00 5.44 -0.06 -1.26 -0.77 117.38 125.33 1bxw n GLN 17 Ca -0.17 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 1bxw n GLN 17 Cb 0.51 -1.64 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 1bxw n GLN 17 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 1bxw n TYR 18 N -1.77 0.00 0.63 3.69 0.18 -1.25 -4.34 117.16 114.30 1bxw n TYR 18 Ca 0.03 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.89 1bxw n TYR 18 Cb 0.19 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.21 1bxw n TYR 18 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1bxw n HIS 19 N 0.00 0.00 -0.07 -3.48 -0.00 -1.26 -4.33 115.22 106.07 1bxw n HIS 19 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1bxw n HIS 19 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1bxw n HIS 19 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1bxw n ASP 20 N 0.80 3.84 0.00 0.26 5.68 -1.26 -3.64 116.55 122.22 1bxw n ASP 20 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 1bxw n ASP 20 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1bxw n ASP 20 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bxw n THR 21 N 0.00 0.00 0.00 2.12 -2.24 -1.26 -5.02 114.28 107.88 1bxw n THR 21 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bxw n THR 21 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1bxw n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxw n GLY 22 N -0.95 1.55 0.91 3.38 0.00 -1.26 -5.18 105.19 103.65 1bxw n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bxw n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxw n LEU 23 N 0.00 -0.96 -4.04 0.99 4.77 -1.26 -5.16 117.00 111.34 1bxw n LEU 23 Ca 0.00 1.65 -0.21 0.00 -0.03 0.00 0.00 56.01 57.41 1bxw n LEU 23 Cb 0.00 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 39.52 1bxw n LEU 23 CO 0.00 -0.51 -0.45 -0.63 -1.33 0.00 0.00 177.39 174.47 1bxw s ILE 24 N -4.79 0.93 0.00 -0.08 1.01 -1.26 -5.01 121.20 112.00 1bxw s ILE 24 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1bxw s ILE 24 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1bxw s ILE 24 CO 0.00 0.28 0.00 0.59 0.00 0.00 0.00 174.94 175.81 1bxw n ASN 25 N 3.12 0.00 -2.34 3.58 3.02 -1.26 -3.03 115.26 118.35 1bxw n ASN 25 Ca -0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.05 1bxw n ASN 25 Cb 0.55 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1bxw n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bxw n ASN 26 N 0.00 0.51 -4.74 6.41 3.02 -1.26 -4.91 115.26 114.29 1bxw n ASN 26 Ca 0.00 0.59 -0.37 0.00 -0.03 0.00 0.00 54.58 54.77 1bxw n ASN 26 Cb 0.00 -0.44 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 1bxw n ASN 26 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1bxw s ASN 27 N 1.27 4.90 0.00 6.41 0.01 -1.17 -4.96 114.94 121.41 1bxw s ASN 27 Ca 0.51 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 55.23 1bxw s ASN 27 Cb -0.73 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.32 1bxw s ASN 27 CO 0.39 -1.80 0.00 0.61 -1.51 0.00 0.00 177.10 174.79 1bxw n GLY 28 N 0.75 0.12 3.93 0.66 0.00 -1.26 -4.93 105.19 104.46 1bxw n GLY 28 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1bxw n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bxw s PRO 29 N -0.94 1.34 -0.09 1.61 0.04 -1.26 -4.81 135.00 130.89 1bxw s PRO 29 Ca 0.00 -0.36 0.13 0.00 0.04 0.00 0.00 61.00 60.81 1bxw s PRO 29 Cb 0.00 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 1bxw s PRO 29 CO 0.00 -1.90 0.14 0.25 0.04 0.00 0.00 177.00 175.53 1bxw n THR 30 N -3.40 0.61 0.00 1.26 -2.24 -1.25 -5.10 114.28 104.16 1bxw n THR 30 Ca 0.12 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1bxw n THR 30 Cb 0.60 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1bxw n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bxw n HIS 31 N -2.33 0.00 -3.79 4.78 1.44 -1.26 -5.20 115.22 108.86 1bxw n HIS 31 Ca -0.15 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.45 1bxw n HIS 31 Cb 0.75 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.78 1bxw n HIS 31 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1bxw s GLU 32 N -2.00 0.78 -0.02 -1.40 -1.05 -1.26 -5.02 118.70 108.73 1bxw s GLU 32 Ca 0.00 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1bxw s GLU 32 Cb 0.00 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 1bxw s GLU 32 CO 0.00 -0.25 -0.01 -0.80 0.95 0.00 0.00 175.26 175.15 1bxw s ASN 33 N -2.16 0.40 -0.03 0.83 0.01 -1.26 -3.86 114.94 108.87 1bxw s ASN 33 Ca -0.04 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.13 1bxw s ASN 33 Cb -0.00 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.50 1bxw s ASN 33 CO -0.04 -0.04 -0.21 -0.54 -1.51 0.00 0.00 177.10 174.75 1bxw s LYS 34 N 0.52 1.89 0.05 -0.60 3.01 0.05 -0.06 119.74 124.60 1bxw s LYS 34 Ca -0.05 -0.77 0.05 0.00 -1.01 0.00 0.00 55.97 54.19 1bxw s LYS 34 Cb -0.08 -1.75 -0.02 0.00 -1.01 0.00 0.00 37.83 34.96 1bxw s LYS 34 CO -0.01 0.41 -0.14 -0.51 0.51 0.00 0.00 175.35 175.61 1bxw s LEU 35 N -0.36 2.20 0.00 3.17 1.43 -0.98 -0.09 118.68 124.06 1bxw s LEU 35 Ca 0.04 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1bxw s LEU 35 Cb -0.10 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1bxw s LEU 35 CO 0.00 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1bxw n GLY 36 N 1.72 1.71 3.41 -3.19 0.00 -0.12 -1.42 105.19 107.29 1bxw n GLY 36 Ca -0.19 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1bxw n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxw s ALA 37 N -1.00 1.04 -0.02 4.61 0.00 -0.71 0.75 121.76 126.43 1bxw s ALA 37 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 1bxw s ALA 37 Cb 0.00 1.27 0.11 0.00 0.00 0.00 0.00 23.12 24.50 1bxw s ALA 37 CO 0.00 -0.74 1.15 0.20 0.00 0.00 0.00 175.76 176.37 1bxw s GLY 38 N -3.25 -0.35 0.05 0.00 0.00 -0.90 -0.60 107.32 102.28 1bxw s GLY 38 Ca 0.34 0.83 0.03 0.00 0.00 0.00 0.00 44.72 45.91 1bxw s GLY 38 CO 0.20 0.22 -0.09 0.00 0.00 0.00 0.00 173.10 173.44 1bxw s ALA 39 N -2.70 0.68 0.06 3.20 0.00 -0.10 -1.59 121.76 121.31 1bxw s ALA 39 Ca 0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1bxw s ALA 39 Cb 0.01 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1bxw s ALA 39 CO -0.03 0.01 0.24 -0.59 0.00 0.00 0.00 175.76 175.38 1bxw s PHE 40 N -1.38 0.02 0.03 0.00 -0.71 0.11 -0.85 117.98 115.20 1bxw s PHE 40 Ca -0.08 -0.27 -0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1bxw s PHE 40 Cb -0.10 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1bxw s PHE 40 CO 0.01 -0.49 0.09 0.20 -1.34 0.00 0.00 175.22 173.69 1bxw s GLY 41 N -2.30 0.16 0.32 1.99 0.00 0.10 -0.71 107.32 106.89 1bxw s GLY 41 Ca -0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 1bxw s GLY 41 CO -0.06 -0.61 0.60 -0.32 0.00 0.00 0.00 173.10 172.71 1bxw s GLY 42 N -1.93 0.69 -0.07 0.20 0.00 -0.25 -0.52 107.32 105.43 1bxw s GLY 42 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1bxw s GLY 42 CO -0.03 -0.57 -0.09 -0.47 0.00 0.00 0.00 173.10 171.94 1bxw s TYR 43 N -3.20 1.31 -0.04 1.90 5.04 -0.42 -1.84 117.35 120.11 1bxw s TYR 43 Ca 0.21 -0.52 -0.19 0.00 -2.44 0.00 0.00 57.07 54.14 1bxw s TYR 43 Cb -0.03 -1.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 1bxw s TYR 43 CO 0.13 -0.32 0.52 -1.14 -1.34 0.00 0.00 175.55 173.40 1bxw s GLN 44 N 0.99 4.25 -0.23 4.97 2.00 0.64 -1.16 119.66 131.13 1bxw s GLN 44 Ca -0.09 0.58 -0.06 0.00 -2.00 0.00 0.00 55.36 53.79 1bxw s GLN 44 Cb -0.15 -3.35 -0.18 0.00 0.80 0.00 0.00 33.01 30.14 1bxw s GLN 44 CO -0.00 0.37 -0.10 0.28 -0.50 0.00 0.00 175.29 175.34 1bxw n VAL 45 N 2.82 1.56 -3.87 1.34 0.31 0.13 -3.75 118.33 116.87 1bxw n VAL 45 Ca -0.08 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.67 1bxw n VAL 45 Cb 0.51 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1bxw n VAL 45 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bxw s ASN 46 N -6.91 0.14 0.27 4.52 2.20 -1.12 -4.63 114.94 109.40 1bxw s ASN 46 Ca -0.33 -1.15 0.19 0.00 -0.94 0.00 0.00 52.86 50.63 1bxw s ASN 46 Cb 0.10 0.80 0.99 0.00 -2.00 0.00 0.00 41.25 41.14 1bxw s ASN 46 CO 0.61 -1.58 1.57 -0.81 -2.94 0.00 0.00 177.10 173.95 1bxw n PRO 47 N -0.53 0.12 -0.03 3.55 -0.04 -1.26 -2.50 135.00 134.31 1bxw n PRO 47 Ca -0.06 0.60 0.01 0.00 -0.04 0.00 0.00 63.50 64.01 1bxw n PRO 47 Cb 0.60 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1bxw n PRO 47 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bxw n TYR 48 N -2.14 0.00 -4.25 0.54 4.01 -1.26 -4.76 117.16 109.30 1bxw n TYR 48 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1bxw n TYR 48 Cb 0.04 -0.49 -0.15 0.00 -0.31 0.00 0.00 39.34 38.43 1bxw n TYR 48 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1bxw s VAL 49 N -2.71 0.58 0.14 -0.72 -7.23 -1.04 -0.65 120.40 108.78 1bxw s VAL 49 Ca -0.06 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1bxw s VAL 49 Cb 0.07 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1bxw s VAL 49 CO 0.59 0.20 0.13 -0.83 -0.31 0.00 0.00 175.10 174.88 1bxw s GLY 50 N 0.34 0.84 -0.04 2.32 0.00 -0.56 0.17 107.32 110.39 1bxw s GLY 50 Ca -0.04 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.43 1bxw s GLY 50 CO 0.00 -1.19 -0.15 -1.36 0.00 0.00 0.00 173.10 170.40 1bxw s PHE 51 N -4.03 1.55 0.07 1.90 0.08 -0.31 0.36 117.98 117.61 1bxw s PHE 51 Ca 0.22 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1bxw s PHE 51 Cb 0.06 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1bxw s PHE 51 CO 0.02 -0.15 -0.05 -1.83 -0.10 0.00 0.00 175.22 173.11 1bxw s GLU 52 N 0.06 0.69 -0.07 0.44 -1.05 -0.19 -1.30 118.70 117.27 1bxw s GLU 52 Ca -0.03 -1.22 0.05 0.00 -0.15 0.00 0.00 54.97 53.61 1bxw s GLU 52 Cb -0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 34.13 33.58 1bxw s GLU 52 CO 0.02 -0.06 -0.23 1.41 0.95 0.00 0.00 175.26 177.35 1bxw s MET 53 N -3.67 2.64 0.06 -4.83 -2.45 0.32 -0.74 119.30 110.63 1bxw s MET 53 Ca 0.07 -0.84 -0.03 0.00 -1.25 0.00 0.00 55.69 53.65 1bxw s MET 53 Cb 0.05 -2.12 -0.03 0.00 1.25 0.00 0.00 34.83 33.98 1bxw s MET 53 CO -0.07 0.26 0.02 0.20 1.05 0.00 0.00 175.02 176.48 1bxw s GLY 54 N 0.12 0.43 -0.07 2.11 0.00 -0.75 0.03 107.32 109.19 1bxw s GLY 54 Ca -0.11 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1bxw s GLY 54 CO 0.06 -1.22 -0.17 -0.47 0.00 0.00 0.00 173.10 171.30 1bxw s TYR 55 N -3.92 1.85 0.15 1.90 5.04 -0.03 -0.29 117.35 122.05 1bxw s TYR 55 Ca 0.08 -0.69 0.06 0.00 -2.44 0.00 0.00 57.07 54.08 1bxw s TYR 55 Cb 0.07 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 41.05 1bxw s TYR 55 CO -0.09 -0.30 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.18 1bxw s ASP 56 N 0.44 2.06 -0.05 4.32 1.01 0.04 -0.93 116.67 123.56 1bxw s ASP 56 Ca -0.14 -0.93 -0.05 0.00 0.71 0.00 0.00 52.55 52.15 1bxw s ASP 56 Cb -0.16 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.72 1bxw s ASP 56 CO 0.05 -0.21 0.14 -1.66 0.21 0.00 0.00 175.17 173.70 1bxw s TRP 57 N -2.73 -0.15 -0.01 4.23 -2.14 0.23 -1.38 118.94 116.99 1bxw s TRP 57 Ca 0.15 0.38 0.03 0.00 2.66 0.00 0.00 56.10 59.31 1bxw s TRP 57 Cb -0.01 0.04 -0.00 0.00 -3.10 0.00 0.00 33.47 30.39 1bxw s TRP 57 CO 0.03 -0.08 -0.09 -0.51 -2.66 0.00 0.00 176.95 173.64 1bxw s LEU 58 N 0.15 1.95 -0.02 -4.66 1.43 -0.40 -1.74 118.68 115.39 1bxw s LEU 58 Ca -0.01 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1bxw s LEU 58 Cb -0.02 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1bxw s LEU 58 CO -0.00 0.10 -0.18 -0.83 0.23 0.00 0.00 176.35 175.66 1bxw s GLY 59 N -0.10 0.92 0.30 -3.19 0.00 -0.51 -0.56 107.32 104.17 1bxw s GLY 59 Ca 0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1bxw s GLY 59 CO -0.00 -0.61 1.16 -1.60 0.00 0.00 0.00 173.10 172.05 1bxw s ARG 60 N -0.35 4.55 -0.13 2.90 6.06 0.00 -2.32 118.95 129.67 1bxw s ARG 60 Ca 0.05 1.93 -0.14 0.00 -2.50 0.00 0.00 55.73 55.07 1bxw s ARG 60 Cb -0.08 -3.15 -0.05 0.00 0.06 0.00 0.00 34.95 31.73 1bxw s ARG 60 CO -0.00 0.09 0.33 1.41 -2.50 0.00 0.00 175.30 174.63 1bxw s MET 61 N -1.56 4.16 -0.20 5.12 1.75 0.91 -4.82 119.30 124.67 1bxw s MET 61 Ca 0.46 0.18 -0.29 0.00 -1.25 0.00 0.00 55.69 54.79 1bxw s MET 61 Cb -0.34 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 33.91 1bxw s MET 61 CO 0.45 0.33 1.84 -1.25 -0.65 0.00 0.00 175.02 175.73 1bxw s PRO 62 N 0.16 3.62 -0.30 4.11 0.04 -1.26 -4.66 135.00 136.72 1bxw s PRO 62 Ca 0.19 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 1bxw s PRO 62 Cb -0.14 -4.16 0.19 0.00 0.04 0.00 0.00 34.50 30.43 1bxw s PRO 62 CO 0.06 -1.52 0.89 0.71 0.04 0.00 0.00 177.00 177.18 1bxw s TYR 63 N 6.07 -0.94 0.00 0.56 2.02 -1.26 -5.15 117.35 118.66 1bxw s TYR 63 Ca 0.82 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1bxw s TYR 63 Cb -0.29 0.20 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 1bxw s TYR 63 CO 0.33 -0.54 0.00 1.63 -1.57 0.00 0.00 175.55 175.40 1bxw n LYS 64 N 5.29 0.00 -0.62 -0.62 5.02 -1.26 -4.75 118.16 121.22 1bxw n LYS 64 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1bxw n LYS 64 Cb 0.55 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.79 1bxw n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1bxw s GLY 65 N 0.00 1.58 0.00 0.72 0.00 -1.26 -3.82 107.32 104.54 1bxw s GLY 65 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1bxw s GLY 65 CO 0.00 0.67 0.00 -1.14 0.00 0.00 0.00 173.10 172.63 1bxw n SER 66 N -4.72 0.00 -2.95 1.64 3.41 -1.26 -4.94 113.62 104.80 1bxw n SER 66 Ca 0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1bxw n SER 66 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1bxw n SER 66 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1bxw n VAL 67 N 0.00 -7.03 0.00 -3.33 0.31 -1.26 -4.92 118.33 102.10 1bxw n VAL 67 Ca 0.00 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.52 1bxw n VAL 67 Cb 0.00 -4.94 0.00 0.00 -0.91 0.00 0.00 33.84 27.99 1bxw n VAL 67 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bxw n GLU 68 N 1.06 0.00 0.00 5.55 1.02 -1.26 -4.99 120.64 122.02 1bxw n GLU 68 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1bxw n GLU 68 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1bxw n GLU 68 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1bxw n ASN 69 N 0.00 0.00 -0.88 1.62 6.94 -1.26 -4.94 115.26 116.74 1bxw n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1bxw n ASN 69 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1bxw n ASN 69 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bxw n GLY 70 N 0.66 4.49 3.77 4.83 0.00 -1.26 -5.01 105.19 112.67 1bxw n GLY 70 Ca 0.00 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1bxw n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxw s ALA 71 N -2.00 3.22 -0.11 4.61 0.00 -1.26 -4.91 121.76 121.30 1bxw s ALA 71 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 1bxw s ALA 71 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1bxw s ALA 71 CO 0.00 -0.72 0.24 -0.47 0.00 0.00 0.00 175.76 174.81 1bxw s TYR 72 N -1.31 -0.35 -0.03 0.00 6.14 -1.26 -2.37 117.35 118.18 1bxw s TYR 72 Ca 0.57 0.84 0.01 0.00 0.64 0.00 0.00 57.07 59.12 1bxw s TYR 72 Cb -0.35 -0.03 0.02 0.00 0.42 0.00 0.00 41.96 42.01 1bxw s TYR 72 CO 0.45 -0.29 -0.03 0.21 0.64 0.00 0.00 175.55 176.54 1bxw s LYS 73 N 1.87 0.50 0.09 4.97 2.20 -0.78 -0.82 119.74 127.78 1bxw s LYS 73 Ca -0.03 -0.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.61 1bxw s LYS 73 Cb -0.11 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1bxw s LYS 73 CO -0.08 -0.05 -0.21 0.00 -0.36 0.00 0.00 175.35 174.65 1bxw s ALA 74 N 0.68 1.81 0.04 3.13 0.00 0.28 -0.99 121.76 126.71 1bxw s ALA 74 Ca -0.08 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1bxw s ALA 74 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1bxw s ALA 74 CO -0.01 0.38 0.21 1.14 0.00 0.00 0.00 175.76 177.48 1bxw s GLN 75 N -1.72 0.72 -0.20 0.00 -2.07 -0.65 -1.27 119.66 114.46 1bxw s GLN 75 Ca 0.07 -0.63 -0.28 0.00 -1.82 0.00 0.00 55.36 52.70 1bxw s GLN 75 Cb -0.10 0.30 0.11 0.00 -1.09 0.00 0.00 33.01 32.24 1bxw s GLN 75 CO 0.04 -0.21 0.94 0.20 -1.32 0.00 0.00 175.29 174.94 1bxw s GLY 76 N -2.13 -0.29 -0.12 2.60 0.00 -0.48 -1.80 107.32 105.11 1bxw s GLY 76 Ca -0.04 2.19 -0.00 0.00 0.00 0.00 0.00 44.72 46.86 1bxw s GLY 76 CO -0.04 1.40 -0.10 -1.34 0.00 0.00 0.00 173.10 173.02 1bxw s VAL 77 N -0.47 3.36 0.16 1.40 -7.23 -0.60 -0.78 120.40 116.24 1bxw s VAL 77 Ca -0.01 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 1bxw s VAL 77 Cb -0.03 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1bxw s VAL 77 CO -0.00 0.54 -0.16 0.00 -0.31 0.00 0.00 175.10 175.16 1bxw s GLN 78 N 0.04 1.19 -0.13 4.82 -2.07 0.60 -1.36 119.66 122.75 1bxw s GLN 78 Ca -0.03 -1.38 -0.03 0.00 -1.82 0.00 0.00 55.36 52.10 1bxw s GLN 78 Cb -0.14 -1.14 0.05 0.00 -1.09 0.00 0.00 33.01 30.68 1bxw s GLN 78 CO 0.04 0.22 0.05 -1.17 -1.32 0.00 0.00 175.29 173.11 1bxw s LEU 79 N -2.69 0.58 0.09 2.60 0.20 -0.47 -1.82 118.68 117.17 1bxw s LEU 79 Ca 0.14 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1bxw s LEU 79 Cb -0.05 -0.36 -0.04 0.00 -0.43 0.00 0.00 46.19 45.31 1bxw s LEU 79 CO 0.05 -0.29 -0.04 0.42 -0.29 0.00 0.00 176.35 176.21 1bxw s THR 80 N 2.03 0.46 -0.14 3.68 -4.23 0.08 -1.86 115.64 115.66 1bxw s THR 80 Ca 0.02 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1bxw s THR 80 Cb -0.15 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1bxw s THR 80 CO -0.07 -0.85 0.11 0.00 -0.54 0.00 0.00 174.62 173.27 1bxw s ALA 81 N -3.77 3.69 -0.23 3.99 0.00 0.07 -1.03 121.76 124.47 1bxw s ALA 81 Ca 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 1bxw s ALA 81 Cb 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1bxw s ALA 81 CO -0.05 0.44 -0.04 0.21 0.00 0.00 0.00 175.76 176.32 1bxw s LYS 82 N -0.47 3.24 -0.22 0.00 2.20 0.16 -1.04 119.74 123.60 1bxw s LYS 82 Ca 0.11 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 1bxw s LYS 82 Cb -0.12 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1bxw s LYS 82 CO 0.02 -0.26 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.22 1bxw s LEU 83 N 1.45 3.06 0.11 5.43 1.43 -0.05 -1.50 118.68 128.61 1bxw s LEU 83 Ca 0.04 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1bxw s LEU 83 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1bxw s LEU 83 CO -0.03 -0.01 -0.02 -0.83 0.23 0.00 0.00 176.35 175.68 1bxw s GLY 84 N 1.44 0.86 -0.05 -3.19 0.00 0.18 -1.33 107.32 105.21 1bxw s GLY 84 Ca 0.05 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.39 1bxw s GLY 84 CO -0.01 -1.43 -0.10 -0.47 0.00 0.00 0.00 173.10 171.09 1bxw s TYR 85 N -3.75 1.19 -0.67 1.90 5.04 -0.64 -4.41 117.35 116.01 1bxw s TYR 85 Ca 0.16 -0.40 -0.27 0.00 -2.44 0.00 0.00 57.07 54.12 1bxw s TYR 85 Cb 0.06 -0.91 0.01 0.00 0.35 0.00 0.00 41.96 41.47 1bxw s TYR 85 CO -0.03 -0.23 1.54 -1.25 -1.34 0.00 0.00 175.55 174.24 1bxw s PRO 86 N 0.69 2.97 0.19 4.97 0.04 -1.26 -2.13 135.00 140.46 1bxw s PRO 86 Ca -0.13 0.19 -0.10 0.00 0.04 0.00 0.00 61.00 61.00 1bxw s PRO 86 Cb -0.15 -4.26 0.12 0.00 0.04 0.00 0.00 34.50 30.25 1bxw s PRO 86 CO 0.02 -2.37 1.77 0.82 0.04 0.00 0.00 177.00 177.29 1bxw h ILE 87 N 6.42 1.23 -2.03 0.56 1.08 -1.56 -3.47 117.51 119.75 1bxw h ILE 87 Ca -0.27 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1bxw h ILE 87 Cb 1.10 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1bxw h ILE 87 CO 1.24 0.28 0.00 0.35 -0.69 0.00 0.00 178.15 179.33 1bxw n THR 88 N -4.43 0.00 0.45 -0.27 -2.24 -1.05 -4.99 114.28 101.76 1bxw n THR 88 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1bxw n THR 88 Cb 0.14 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.54 1bxw n THR 88 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bxw h ASP 89 N 0.00 0.00 0.00 3.42 3.32 -2.02 -3.36 116.42 117.79 1bxw h ASP 89 Ca 0.00 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 1bxw h ASP 89 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1bxw h ASP 89 CO 0.00 0.06 -1.71 0.47 -1.72 0.00 0.00 179.24 176.34 1bxw n ASP 90 N -2.34 2.16 -4.33 6.45 8.00 -1.26 -1.44 116.55 123.79 1bxw n ASP 90 Ca 0.03 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 1bxw n ASP 90 Cb 0.47 1.08 -0.14 0.00 -0.02 0.00 0.00 41.12 42.51 1bxw n ASP 90 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bxw s LEU 91 N -4.48 2.93 0.10 0.64 0.20 -1.26 -1.01 118.68 115.80 1bxw s LEU 91 Ca -0.05 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.47 1bxw s LEU 91 Cb 0.05 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1bxw s LEU 91 CO 0.49 0.00 -0.08 -1.81 -0.29 0.00 0.00 176.35 174.66 1bxw s ASP 92 N 1.35 4.54 0.00 3.68 1.01 -0.34 -1.30 116.67 125.61 1bxw s ASP 92 Ca 0.04 -0.33 0.06 0.00 0.71 0.00 0.00 52.55 53.03 1bxw s ASP 92 Cb -0.14 -0.93 -0.03 0.00 1.01 0.00 0.00 42.92 42.83 1bxw s ASP 92 CO -0.02 0.18 -0.17 0.27 0.21 0.00 0.00 175.17 175.64 1bxw s ILE 93 N -1.23 2.81 0.23 0.77 -4.36 -0.91 -1.16 121.20 117.35 1bxw s ILE 93 Ca 0.22 -1.01 -0.15 0.00 -0.26 0.00 0.00 60.65 59.46 1bxw s ILE 93 Cb -0.11 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1bxw s ILE 93 CO 0.14 0.46 0.51 -0.72 0.24 0.00 0.00 174.94 175.57 1bxw s TYR 94 N -0.82 0.15 0.06 1.37 -0.85 -0.71 -1.63 117.35 114.92 1bxw s TYR 94 Ca 0.13 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 1bxw s TYR 94 Cb -0.10 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 1bxw s TYR 94 CO 0.03 -0.98 -0.08 0.95 -1.52 0.00 0.00 175.55 173.95 1bxw s THR 95 N -3.96 0.60 -0.02 -3.49 -4.23 -0.45 -0.96 115.64 103.13 1bxw s THR 95 Ca 0.17 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1bxw s THR 95 Cb -0.01 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 1bxw s THR 95 CO 0.05 -0.49 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.30 1bxw s ARG 96 N -2.10 1.74 -0.02 3.99 0.52 -0.40 -0.87 118.95 121.82 1bxw s ARG 96 Ca -0.05 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1bxw s ARG 96 Cb -0.07 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.78 1bxw s ARG 96 CO -0.01 0.41 0.04 -0.48 0.02 0.00 0.00 175.30 175.29 1bxw s LEU 97 N -0.40 1.53 0.00 2.53 2.34 -0.20 -1.40 118.68 123.08 1bxw s LEU 97 Ca 0.06 0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.32 1bxw s LEU 97 Cb -0.09 0.07 0.00 0.00 -0.56 0.00 0.00 46.19 45.61 1bxw s LEU 97 CO -0.00 -0.06 0.00 0.61 -1.06 0.00 0.00 176.35 175.84 1bxw n GLY 98 N 3.52 -0.75 3.19 -3.48 0.00 -0.72 -0.76 105.19 106.19 1bxw n GLY 98 Ca -0.18 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1bxw n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bxw s GLY 99 N 0.00 0.86 -0.02 -0.02 0.00 -0.78 0.54 107.32 107.91 1bxw s GLY 99 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1bxw s GLY 99 CO 0.00 -1.35 -0.02 -0.29 0.00 0.00 0.00 173.10 171.44 1bxw s MET 100 N -3.14 0.38 -0.36 2.90 1.75 0.11 -1.37 119.30 119.56 1bxw s MET 100 Ca 0.08 -0.04 -0.14 0.00 -1.25 0.00 0.00 55.69 54.34 1bxw s MET 100 Cb -0.00 -0.45 -0.01 0.00 2.84 0.00 0.00 34.83 37.21 1bxw s MET 100 CO -0.01 -0.03 0.28 0.08 -0.65 0.00 0.00 175.02 174.69 1bxw s VAL 101 N 0.52 5.25 0.33 10.11 1.01 -0.46 0.39 120.40 137.54 1bxw s VAL 101 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1bxw s VAL 101 Cb -0.09 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1bxw s VAL 101 CO -0.01 -0.10 0.04 -1.66 0.00 0.00 0.00 175.10 173.37 1bxw s TRP 102 N 1.79 2.02 -0.12 5.22 1.48 -0.68 -1.56 118.94 127.09 1bxw s TRP 102 Ca 0.07 -0.90 -0.05 0.00 -1.06 0.00 0.00 56.10 54.17 1bxw s TRP 102 Cb -0.18 -1.31 0.06 0.00 -1.16 0.00 0.00 33.47 30.88 1bxw s TRP 102 CO 0.11 0.08 0.24 0.50 -4.06 0.00 0.00 176.95 173.82 1bxw s ARG 103 N -3.86 0.14 -0.14 3.25 3.52 -0.75 -1.77 118.95 119.35 1bxw s ARG 103 Ca 0.35 0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 56.59 1bxw s ARG 103 Cb 0.08 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1bxw s ARG 103 CO 0.15 -0.27 0.01 0.00 -0.81 0.00 0.00 175.30 174.39 1bxw s ALA 104 N 2.17 3.23 -0.24 6.12 0.00 -0.90 -1.64 121.76 130.50 1bxw s ALA 104 Ca -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1bxw s ALA 104 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1bxw s ALA 104 CO -0.08 0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 175.45 1bxw s ASP 105 N -0.08 4.30 0.54 0.00 1.01 -0.16 -0.77 116.67 121.51 1bxw s ASP 105 Ca 0.04 -0.72 0.06 0.00 0.71 0.00 0.00 52.55 52.65 1bxw s ASP 105 Cb -0.13 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.16 1bxw s ASP 105 CO 0.02 -0.10 0.48 0.42 0.21 0.00 0.00 175.17 176.20 1bxw s THR 106 N 1.38 1.80 -0.13 -1.27 -4.23 0.71 -1.87 115.64 112.03 1bxw s THR 106 Ca 0.02 -1.39 -0.19 0.00 -1.18 0.00 0.00 61.69 58.95 1bxw s THR 106 Cb -0.16 -2.19 0.05 0.00 1.34 0.00 0.00 72.50 71.54 1bxw s THR 106 CO -0.04 0.00 0.49 -0.47 -0.54 0.00 0.00 174.62 174.06 1bxw s TYR 107 N -2.74 -0.49 0.03 3.99 5.04 -1.00 -3.12 117.35 119.07 1bxw s TYR 107 Ca 0.40 1.09 -0.06 0.00 -2.44 0.00 0.00 57.07 56.06 1bxw s TYR 107 Cb -0.03 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1bxw s TYR 107 CO 0.25 -0.35 0.10 0.45 -1.34 0.00 0.00 175.55 174.67 1bxw s SER 108 N -0.30 0.14 -0.02 4.32 0.15 -0.94 -4.30 113.70 112.75 1bxw s SER 108 Ca -0.05 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 1bxw s SER 108 Cb -0.03 0.22 -0.28 0.00 -1.71 0.00 0.00 66.02 64.21 1bxw s SER 108 CO 0.03 -0.47 0.78 -0.55 1.20 0.00 0.00 173.24 174.23 1bxw h ASN 109 N 3.86 0.44 0.00 5.45 -1.07 -1.95 -2.05 115.58 120.26 1bxw h ASN 109 Ca -0.32 -0.65 0.00 0.00 0.07 0.00 0.00 56.30 55.40 1bxw h ASN 109 Cb 1.19 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 1bxw h ASN 109 CO 0.47 1.54 0.00 0.52 0.07 0.00 0.00 177.43 180.04 1bxw n VAL 110 N -3.48 0.00 0.44 6.14 0.31 -1.26 -4.33 118.33 116.15 1bxw n VAL 110 Ca -0.19 1.02 0.13 0.00 -0.01 0.00 0.00 64.34 65.29 1bxw n VAL 110 Cb 1.05 -1.94 0.46 0.00 -0.91 0.00 0.00 33.84 32.50 1bxw n VAL 110 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1bxw h TYR 111 N 0.00 0.00 -0.21 3.52 0.05 -1.99 -3.50 116.97 114.84 1bxw h TYR 111 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bxw h TYR 111 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1bxw h TYR 111 CO 0.11 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 1bxw n GLY 112 N 0.55 -1.01 3.75 3.88 0.00 -0.77 -4.86 105.19 106.73 1bxw n GLY 112 Ca 0.03 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1bxw n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bxw s LYS 113 N 0.00 4.47 0.04 1.61 1.02 -1.26 -2.22 119.74 123.40 1bxw s LYS 113 Ca 0.00 1.99 0.01 0.00 0.02 0.00 0.00 55.97 57.99 1bxw s LYS 113 Cb 0.00 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1bxw s LYS 113 CO 0.00 -0.08 -0.05 1.21 -0.92 0.00 0.00 175.35 175.52 1bxw s ASN 114 N -0.24 0.56 0.18 2.83 2.47 -1.18 -4.99 114.94 114.56 1bxw s ASN 114 Ca 0.51 -0.67 0.01 0.00 0.42 0.00 0.00 52.86 53.13 1bxw s ASN 114 Cb -0.35 0.10 -0.05 0.00 -1.45 0.00 0.00 41.25 39.50 1bxw s ASN 114 CO 0.42 -0.35 0.02 -1.38 -3.72 0.00 0.00 177.10 172.09 1bxw s HIS 115 N -2.16 1.21 0.01 0.43 -3.43 -1.26 -0.21 115.29 109.88 1bxw s HIS 115 Ca -0.07 -1.06 -0.13 0.00 -0.80 0.00 0.00 55.06 53.00 1bxw s HIS 115 Cb -0.05 -0.69 0.02 0.00 -1.43 0.00 0.00 32.58 30.43 1bxw s HIS 115 CO -0.03 -0.26 0.27 0.34 -2.00 0.00 0.00 174.74 173.06 1bxw s ASP 116 N -3.17 -0.11 0.09 7.38 2.15 0.05 -4.98 116.67 118.06 1bxw s ASP 116 Ca 0.26 -0.10 0.02 0.00 0.43 0.00 0.00 52.55 53.16 1bxw s ASP 116 Cb 0.06 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.96 1bxw s ASP 116 CO 0.05 -0.51 -0.08 -0.89 -0.17 0.00 0.00 175.17 173.57 1bxw s THR 117 N -1.88 0.74 0.06 1.71 2.01 -1.26 -2.12 115.64 114.90 1bxw s THR 117 Ca -0.10 -1.69 -0.28 0.00 0.31 0.00 0.00 61.69 59.94 1bxw s THR 117 Cb -0.04 -1.39 0.09 0.00 0.01 0.00 0.00 72.50 71.18 1bxw s THR 117 CO 0.01 -0.69 0.98 -0.83 -0.69 0.00 0.00 174.62 173.40 1bxw s GLY 118 N -2.60 -0.34 -0.06 4.40 0.00 -0.73 -4.99 107.32 103.01 1bxw s GLY 118 Ca 0.06 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1bxw s GLY 118 CO -0.02 0.17 -0.09 0.14 0.00 0.00 0.00 173.10 173.29 1bxw s VAL 119 N -3.08 0.92 -0.03 1.40 1.01 -1.26 -1.68 120.40 117.68 1bxw s VAL 119 Ca 0.10 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1bxw s VAL 119 Cb -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1bxw s VAL 119 CO -0.03 0.31 0.32 -0.55 0.00 0.00 0.00 175.10 175.15 1bxw s SER 120 N 0.78 -0.22 0.40 3.32 0.15 0.16 -4.95 113.70 113.34 1bxw s SER 120 Ca -0.13 0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.44 1bxw s SER 120 Cb -0.15 0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 64.44 1bxw s SER 120 CO 0.02 -0.41 1.32 -2.84 1.20 0.00 0.00 173.24 172.54 1bxw s PRO 121 N -1.12 3.98 0.05 5.44 0.02 -1.26 -0.71 135.00 141.39 1bxw s PRO 121 Ca -0.12 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.18 1bxw s PRO 121 Cb -0.05 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1bxw s PRO 121 CO 0.04 -0.50 -0.22 0.08 -0.33 0.00 0.00 177.00 176.07 1bxw s VAL 122 N -1.24 1.78 0.03 3.83 1.01 0.19 -3.91 120.40 122.09 1bxw s VAL 122 Ca 0.56 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1bxw s VAL 122 Cb -0.39 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1bxw s VAL 122 CO 0.50 0.24 -0.09 -0.36 0.00 0.00 0.00 175.10 175.39 1bxw s PHE 123 N -0.81 0.80 0.01 5.22 0.08 0.40 -1.75 117.98 121.93 1bxw s PHE 123 Ca 0.08 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 1bxw s PHE 123 Cb -0.09 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1bxw s PHE 123 CO 0.02 -0.02 0.23 0.00 -0.10 0.00 0.00 175.22 175.35 1bxw s ALA 124 N -0.90 -0.54 -0.01 5.36 0.00 -0.49 0.50 121.76 125.67 1bxw s ALA 124 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1bxw s ALA 124 Cb -0.07 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1bxw s ALA 124 CO 0.01 -0.28 -0.09 0.20 0.00 0.00 0.00 175.76 175.60 1bxw s GLY 125 N -1.58 0.46 0.24 0.00 0.00 -0.32 -1.27 107.32 104.85 1bxw s GLY 125 Ca -0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 1bxw s GLY 125 CO 0.01 -0.22 0.69 0.61 0.00 0.00 0.00 173.10 174.19 1bxw n GLY 126 N 3.04 1.03 3.13 0.20 0.00 -0.14 -1.19 105.19 111.27 1bxw n GLY 126 Ca -0.15 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 1bxw n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxw s VAL 127 N -2.25 1.21 -0.14 1.61 1.01 0.55 -1.74 120.40 120.64 1bxw s VAL 127 Ca 0.14 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1bxw s VAL 127 Cb -0.03 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1bxw s VAL 127 CO 0.07 0.32 -0.18 -0.70 0.00 0.00 0.00 175.10 174.61 1bxw s GLU 128 N -0.43 2.62 -0.22 2.72 2.12 -0.31 -1.08 118.70 124.11 1bxw s GLU 128 Ca 0.06 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 1bxw s GLU 128 Cb -0.06 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 32.10 1bxw s GLU 128 CO -0.00 -0.13 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.03 1bxw s TYR 129 N 1.14 2.96 -0.58 5.30 6.14 0.13 -1.20 117.35 131.25 1bxw s TYR 129 Ca -0.01 -1.37 -0.28 0.00 0.64 0.00 0.00 57.07 56.05 1bxw s TYR 129 Cb -0.14 -2.04 0.03 0.00 0.42 0.00 0.00 41.96 40.23 1bxw s TYR 129 CO -0.07 -0.69 1.16 0.00 0.64 0.00 0.00 175.55 176.60 1bxw s ALA 130 N 1.37 3.01 0.02 3.97 0.00 -0.18 -1.02 121.76 128.92 1bxw s ALA 130 Ca 0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 1bxw s ALA 130 Cb -0.15 -4.01 -0.17 0.00 0.00 0.00 0.00 23.12 18.79 1bxw s ALA 130 CO -0.06 -2.65 1.30 0.82 0.00 0.00 0.00 175.76 175.17 1bxw h ILE 131 N 6.14 0.77 -3.00 0.00 1.08 -1.38 -3.46 117.51 117.64 1bxw h ILE 131 Ca -0.25 -0.57 -0.54 0.00 -0.39 0.00 0.00 64.86 63.11 1bxw h ILE 131 Cb 1.06 1.07 -0.13 0.00 -3.07 0.00 0.00 36.82 35.75 1bxw h ILE 131 CO 1.18 0.12 -0.51 0.42 -0.69 0.00 0.00 178.15 178.66 1bxw s THR 132 N -4.82 0.51 0.00 -0.27 -4.23 -1.16 -5.01 115.64 100.66 1bxw s THR 132 Ca -0.14 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.69 1bxw s THR 132 Cb 0.02 -2.38 0.38 0.00 1.34 0.00 0.00 72.50 71.86 1bxw s THR 132 CO 0.57 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.93 1bxw h PRO 133 N 1.86 0.00 -0.00 3.99 0.11 -1.99 -3.12 132.00 132.86 1bxw h PRO 133 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1bxw h PRO 133 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1bxw h PRO 133 CO 0.54 0.00 -0.63 -0.85 -0.21 0.00 0.00 178.00 176.85 1bxw n GLU 134 N -3.01 2.45 -4.48 1.05 0.00 -1.26 -4.76 120.64 110.62 1bxw n GLU 134 Ca 0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 57.16 56.87 1bxw n GLU 134 Cb 0.32 -1.15 -0.17 0.00 0.00 0.00 0.00 31.44 30.44 1bxw n GLU 134 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1bxw s ILE 135 N -2.27 1.27 0.09 3.84 -5.25 -1.18 -0.43 121.20 117.27 1bxw s ILE 135 Ca 0.05 -0.52 0.06 0.00 -0.99 0.00 0.00 60.65 59.26 1bxw s ILE 135 Cb 0.10 -1.17 -0.03 0.00 2.95 0.00 0.00 42.46 44.31 1bxw s ILE 135 CO 0.55 0.39 -0.17 0.00 -1.79 0.00 0.00 174.94 173.92 1bxw s ALA 136 N 0.89 1.46 0.14 2.27 0.00 0.01 -0.97 121.76 125.56 1bxw s ALA 136 Ca -0.10 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1bxw s ALA 136 Cb -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1bxw s ALA 136 CO 0.01 0.25 -0.03 0.95 0.00 0.00 0.00 175.76 176.93 1bxw s THR 137 N -1.26 3.65 0.03 0.00 -4.23 -0.19 -0.72 115.64 112.92 1bxw s THR 137 Ca 0.02 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1bxw s THR 137 Cb -0.10 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1bxw s THR 137 CO 0.03 -0.02 -0.13 0.00 -0.54 0.00 0.00 174.62 173.96 1bxw s ARG 138 N -2.66 0.89 -0.18 3.99 1.70 -0.06 0.21 118.95 122.85 1bxw s ARG 138 Ca 0.26 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 1bxw s ARG 138 Cb -0.10 -0.88 0.03 0.00 -0.57 0.00 0.00 34.95 33.43 1bxw s ARG 138 CO 0.17 0.22 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.32 1bxw s LEU 139 N -1.07 2.01 0.01 -1.89 1.98 -0.25 -1.13 118.68 118.35 1bxw s LEU 139 Ca 0.01 -0.72 -0.03 0.00 -2.89 0.00 0.00 54.13 50.50 1bxw s LEU 139 Cb -0.08 -1.20 -0.01 0.00 0.66 0.00 0.00 46.19 45.57 1bxw s LEU 139 CO 0.01 -0.11 0.05 -0.70 -1.89 0.00 0.00 176.35 173.71 1bxw s GLU 140 N 1.44 0.36 -0.20 1.98 2.12 -0.47 -0.33 118.70 123.61 1bxw s GLU 140 Ca 0.01 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1bxw s GLU 140 Cb -0.15 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.41 1bxw s GLU 140 CO -0.09 -0.07 -0.17 -0.47 -0.54 0.00 0.00 175.26 173.91 1bxw s TYR 141 N -1.27 2.81 -0.07 5.30 5.04 -0.33 0.39 117.35 129.23 1bxw s TYR 141 Ca -0.14 -1.75 0.01 0.00 -2.44 0.00 0.00 57.07 52.75 1bxw s TYR 141 Cb -0.08 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 1bxw s TYR 141 CO 0.00 -0.81 -0.09 -1.14 -1.34 0.00 0.00 175.55 172.17 1bxw s GLN 142 N 1.27 2.80 0.05 4.97 0.74 0.13 -1.17 119.66 128.45 1bxw s GLN 142 Ca 0.02 -0.59 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 1bxw s GLN 142 Cb -0.15 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.36 1bxw s GLN 142 CO -0.11 0.59 0.01 1.67 -0.55 0.00 0.00 175.29 176.90 1bxw s TRP 143 N -0.63 0.43 -0.03 1.67 -2.14 0.18 -0.22 118.94 118.20 1bxw s TRP 143 Ca 0.09 -0.93 0.05 0.00 2.66 0.00 0.00 56.10 57.97 1bxw s TRP 143 Cb -0.11 -0.32 -0.01 0.00 -3.10 0.00 0.00 33.47 29.93 1bxw s TRP 143 CO 0.02 -0.39 -0.19 0.95 -2.66 0.00 0.00 176.95 174.67 1bxw s THR 144 N -3.68 1.56 -0.05 0.66 -4.23 -1.26 -0.45 115.64 108.19 1bxw s THR 144 Ca 0.05 -0.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 1bxw s THR 144 Cb 0.06 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 1bxw s THR 144 CO -0.09 0.44 0.33 0.54 -0.54 0.00 0.00 174.62 175.30 1bxw s ASN 145 N -0.22 6.67 -0.09 3.99 6.03 -1.25 -4.73 114.94 125.33 1bxw s ASN 145 Ca 0.01 0.79 -0.04 0.00 -1.03 0.00 0.00 52.86 52.60 1bxw s ASN 145 Cb -0.10 -2.20 0.05 0.00 -3.03 0.00 0.00 41.25 35.97 1bxw s ASN 145 CO 0.01 0.33 0.20 0.20 -2.03 0.00 0.00 177.10 175.81 1bxw s ASN 146 N -0.94 0.16 0.00 3.54 0.02 -1.26 -4.71 114.94 111.75 1bxw s ASN 146 Ca 0.21 0.42 0.00 0.00 -1.02 0.00 0.00 52.86 52.47 1bxw s ASN 146 Cb -0.15 0.36 0.00 0.00 0.02 0.00 0.00 41.25 41.48 1bxw s ASN 146 CO 0.10 -0.20 0.00 -0.38 0.02 0.00 0.00 177.10 176.65 1bxw n ILE 147 N 4.72 0.00 -1.09 0.60 5.41 -1.26 -4.09 119.36 123.66 1bxw n ILE 147 Ca -0.17 0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1bxw n ILE 147 Cb 0.51 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 1bxw n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxw n GLY 148 N 2.69 -4.06 3.88 7.39 0.00 -1.26 -4.65 105.19 109.18 1bxw n GLY 148 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1bxw n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bxw s ASP 149 N -3.19 6.46 0.00 1.61 1.11 -1.26 -4.66 116.67 116.75 1bxw s ASP 149 Ca 0.00 0.53 0.00 0.00 0.18 0.00 0.00 52.55 53.26 1bxw s ASP 149 Cb 0.00 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1bxw s ASP 149 CO 0.00 0.34 0.00 0.00 1.18 0.00 0.00 175.17 176.69 1bxw n ALA 150 N 1.57 0.00 0.00 5.23 0.00 -1.26 -5.05 120.51 120.99 1bxw n ALA 150 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1bxw n ALA 150 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1bxw n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bxw n HIS 151 N 3.11 0.00 0.00 0.00 8.25 -1.26 -4.47 115.22 120.85 1bxw n HIS 151 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bxw n HIS 151 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1bxw n HIS 151 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bxw n THR 152 N 0.00 0.00 -4.84 1.59 -2.24 -1.26 -5.20 114.28 102.32 1bxw n THR 152 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1bxw n THR 152 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1bxw n THR 152 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1bxw s ILE 153 N 3.16 2.89 0.43 2.28 1.01 -1.26 -5.12 121.20 124.58 1bxw s ILE 153 Ca 0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 1bxw s ILE 153 Cb 0.00 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1bxw s ILE 153 CO 0.00 0.50 1.02 -0.83 0.00 0.00 0.00 174.94 175.63 1bxw s GLY 154 N -0.98 2.60 0.00 6.18 0.00 -1.26 -5.06 107.32 108.80 1bxw s GLY 154 Ca 0.13 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1bxw s GLY 154 CO 0.02 0.96 0.00 -1.30 0.00 0.00 0.00 173.10 172.78 1bxw n THR 155 N -0.43 0.00 -3.18 0.90 -2.24 -1.26 -5.11 114.28 102.97 1bxw n THR 155 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1bxw n THR 155 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1bxw n THR 155 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bxw n ARG 156 N 0.00 0.00 -0.26 -0.78 3.00 -1.26 -4.76 116.66 112.60 1bxw n ARG 156 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1bxw n ARG 156 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1bxw n ARG 156 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1bxw n PRO 157 N 0.00 0.00 -3.63 5.56 -0.01 -1.26 -4.98 135.00 130.68 1bxw n PRO 157 Ca 0.00 0.09 -0.37 0.00 -0.01 0.00 0.00 63.50 63.21 1bxw n PRO 157 Cb 0.00 -0.26 -0.07 0.00 -0.01 0.00 0.00 33.50 33.16 1bxw n PRO 157 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1bxw s ASP 158 N -1.25 6.47 0.47 2.55 -1.08 -1.26 -4.47 116.67 118.10 1bxw s ASP 158 Ca 0.00 0.56 0.05 0.00 -0.52 0.00 0.00 52.55 52.63 1bxw s ASP 158 Cb 0.00 -2.16 0.05 0.00 -1.46 0.00 0.00 42.92 39.35 1bxw s ASP 158 CO 0.00 0.22 0.38 -3.20 0.52 0.00 0.00 175.17 173.09 1bxw n ASN 159 N 2.86 2.43 -4.83 -0.34 5.15 -1.24 -4.67 115.26 114.62 1bxw n ASN 159 Ca -0.15 -2.58 -0.32 0.00 -0.60 0.00 0.00 54.58 50.94 1bxw n ASN 159 Cb 0.53 -0.06 0.01 0.00 -0.53 0.00 0.00 39.78 39.72 1bxw n ASN 159 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1bxw s GLY 160 N -3.86 1.92 -0.12 8.20 0.00 -1.26 -4.59 107.32 107.61 1bxw s GLY 160 Ca 0.29 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1bxw s GLY 160 CO 0.18 0.47 -0.20 -0.29 0.00 0.00 0.00 173.10 173.27 1bxw s MET 161 N -4.49 3.13 -0.10 2.90 1.75 0.69 -4.48 119.30 118.70 1bxw s MET 161 Ca 0.59 -0.82 -0.10 0.00 -1.25 0.00 0.00 55.69 54.11 1bxw s MET 161 Cb -0.13 -2.45 -0.05 0.00 2.84 0.00 0.00 34.83 35.05 1bxw s MET 161 CO 0.42 0.11 0.23 -0.51 -0.65 0.00 0.00 175.02 174.63 1bxw s LEU 162 N 0.54 4.38 0.07 4.11 1.43 -0.62 0.17 118.68 128.75 1bxw s LEU 162 Ca -0.12 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1bxw s LEU 162 Cb -0.17 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1bxw s LEU 162 CO 0.04 0.32 0.25 -0.94 0.23 0.00 0.00 176.35 176.25 1bxw s SER 163 N -0.69 -0.01 -0.07 2.29 1.04 0.16 -1.59 113.70 114.82 1bxw s SER 163 Ca 0.17 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.23 1bxw s SER 163 Cb -0.13 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1bxw s SER 163 CO 0.06 -0.67 -0.19 -0.76 0.98 0.00 0.00 173.24 172.67 1bxw s LEU 164 N -2.42 2.44 0.13 2.42 1.43 -0.99 -1.36 118.68 120.33 1bxw s LEU 164 Ca -0.01 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1bxw s LEU 164 Cb 0.01 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1bxw s LEU 164 CO -0.07 0.26 0.12 -0.83 0.23 0.00 0.00 176.35 176.06 1bxw s GLY 165 N -0.25 0.72 -0.01 -3.19 0.00 -0.28 -1.81 107.32 102.49 1bxw s GLY 165 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.55 1bxw s GLY 165 CO 0.03 -1.16 -0.13 0.14 0.00 0.00 0.00 173.10 171.97 1bxw s VAL 166 N -4.00 1.07 0.01 1.40 1.01 -0.93 -0.88 120.40 118.08 1bxw s VAL 166 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1bxw s VAL 166 Cb 0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1bxw s VAL 166 CO -0.01 0.30 0.02 -0.94 0.00 0.00 0.00 175.10 174.47 1bxw s SER 167 N -0.28 0.15 -0.16 3.32 1.04 0.10 -1.53 113.70 116.33 1bxw s SER 167 Ca 0.04 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1bxw s SER 167 Cb -0.06 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1bxw s SER 167 CO -0.00 -0.26 0.00 -0.47 0.98 0.00 0.00 173.24 173.49 1bxw s TYR 168 N -1.18 3.13 -0.24 5.02 5.04 0.74 -0.81 117.35 129.05 1bxw s TYR 168 Ca -0.13 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.31 1bxw s TYR 168 Cb -0.08 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 1bxw s TYR 168 CO -0.00 0.07 0.08 1.03 -1.34 0.00 0.00 175.55 175.39 1bxw s ARG 169 N 0.29 3.76 -1.34 4.97 0.52 0.43 -1.97 118.95 125.61 1bxw s ARG 169 Ca -0.00 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1bxw s ARG 169 Cb -0.13 -3.33 0.13 0.00 0.52 0.00 0.00 34.95 32.14 1bxw s ARG 169 CO 0.02 -0.07 2.00 1.19 0.02 0.00 0.00 175.30 178.45 1bxw n PHE 170 N 4.59 3.08 0.00 -0.53 3.72 -0.93 -4.71 117.46 122.69 1bxw n PHE 170 Ca -0.16 -2.84 0.00 0.00 -0.05 0.00 0.00 57.45 54.40 1bxw n PHE 170 Cb 0.52 -2.12 0.00 0.00 -0.94 0.00 0.00 39.48 36.94 1bxw n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12