#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwu n ASN 2 N 0.00 0.00 -3.82 6.15 4.05 -1.26 -3.97 115.26 116.41 1bwu n ASN 2 Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1bwu n ASN 2 Cb 0.00 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 40.86 1bwu n ASN 2 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1bwu s ILE 3 N -0.43 -0.03 -0.28 -1.44 2.07 -1.26 -1.47 121.20 118.37 1bwu s ILE 3 Ca 0.00 0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.24 1bwu s ILE 3 Cb 0.00 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.49 1bwu s ILE 3 CO 0.00 0.04 0.17 -0.76 -1.91 0.00 0.00 174.94 172.48 1bwu s LEU 4 N 0.53 3.95 0.69 8.50 1.02 0.32 -4.95 118.68 128.74 1bwu s LEU 4 Ca -0.04 -0.14 -0.11 0.00 0.02 0.00 0.00 54.13 53.85 1bwu s LEU 4 Cb -0.06 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1bwu s LEU 4 CO -0.02 -0.08 1.08 -0.89 0.02 0.00 0.00 176.35 176.47 1bwu s THR 5 N 1.71 3.76 -0.24 5.49 2.01 -1.26 -1.69 115.64 125.43 1bwu s THR 5 Ca 0.07 0.57 -0.42 0.00 0.31 0.00 0.00 61.69 62.22 1bwu s THR 5 Cb -0.16 -3.56 -0.18 0.00 0.01 0.00 0.00 72.50 68.61 1bwu s THR 5 CO 0.09 -0.75 1.50 -3.20 -0.69 0.00 0.00 174.62 171.57 1bwu n ASN 6 N -2.96 1.41 -1.31 3.53 5.15 -0.90 -0.66 115.26 119.51 1bwu n ASN 6 Ca 0.07 1.14 -0.14 0.00 -0.60 0.00 0.00 54.58 55.05 1bwu n ASN 6 Cb 0.56 -1.02 -0.03 0.00 -0.53 0.00 0.00 39.78 38.76 1bwu n ASN 6 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1bwu n ASP 7 N 3.70 -4.43 -4.95 1.20 2.03 0.33 -4.97 116.55 109.46 1bwu n ASP 7 Ca 0.25 0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.51 1bwu n ASP 7 Cb 0.07 -3.37 -0.02 0.00 -0.72 0.00 0.00 41.12 37.07 1bwu n ASP 7 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1bwu s GLU 8 N -3.94 3.30 0.30 -0.67 2.02 0.16 -4.83 118.70 115.04 1bwu s GLU 8 Ca 0.00 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1bwu s GLU 8 Cb 0.00 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1bwu s GLU 8 CO 0.00 0.37 0.54 0.20 0.02 0.00 0.00 175.26 176.39 1bwu s GLY 9 N -3.99 0.73 -0.10 -1.39 0.00 -1.26 -0.67 107.32 100.64 1bwu s GLY 9 Ca 0.36 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 44.11 1bwu s GLY 9 CO 0.29 -0.64 -0.19 1.08 0.00 0.00 0.00 173.10 173.63 1bwu s LEU 10 N -3.08 2.37 0.62 0.66 1.43 0.11 -4.93 118.68 115.87 1bwu s LEU 10 Ca 0.23 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1bwu s LEU 10 Cb -0.02 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.80 1bwu s LEU 10 CO 0.12 0.19 0.86 -0.31 0.23 0.00 0.00 176.35 177.45 1bwu s TYR 11 N 0.16 1.86 0.23 0.29 2.02 -1.26 -0.63 117.35 120.02 1bwu s TYR 11 Ca -0.11 -0.36 -0.32 0.00 -0.37 0.00 0.00 57.07 55.91 1bwu s TYR 11 Cb -0.16 -2.68 -0.13 0.00 -0.40 0.00 0.00 41.96 38.59 1bwu s TYR 11 CO 0.06 -1.30 1.58 0.00 -1.57 0.00 0.00 175.55 174.32 1bwu n ALA 12 N -2.50 2.00 0.00 3.71 0.00 -1.07 -1.78 120.51 120.87 1bwu n ALA 12 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1bwu n ALA 12 Cb 0.61 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1bwu n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwu n GLY 13 N 2.85 2.51 3.77 0.00 0.00 0.92 -4.97 105.19 110.27 1bwu n GLY 13 Ca 0.13 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1bwu n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwu s GLN 14 N 0.00 3.08 0.30 1.61 1.11 -0.73 -4.83 119.66 120.19 1bwu s GLN 14 Ca 0.00 1.60 -0.10 0.00 0.01 0.00 0.00 55.36 56.86 1bwu s GLN 14 Cb 0.00 -1.97 0.01 0.00 -1.01 0.00 0.00 33.01 30.04 1bwu s GLN 14 CO 0.00 -1.07 0.53 -1.54 0.01 0.00 0.00 175.29 173.22 1bwu s SER 15 N -1.97 0.22 -0.37 5.90 1.04 -1.26 -2.78 113.70 114.48 1bwu s SER 15 Ca 0.72 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 1bwu s SER 15 Cb -0.24 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1bwu s SER 15 CO 0.33 -1.27 0.15 -0.76 0.98 0.00 0.00 173.24 172.66 1bwu s LEU 16 N -3.09 4.69 -0.15 2.42 1.43 0.10 -4.63 118.68 119.45 1bwu s LEU 16 Ca 0.24 -1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 51.78 1bwu s LEU 16 Cb -0.01 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1bwu s LEU 16 CO 0.13 -0.42 0.04 -1.81 0.23 0.00 0.00 176.35 174.51 1bwu s ASP 17 N 1.67 5.48 -0.29 2.29 1.11 -1.25 -1.28 116.67 124.39 1bwu s ASP 17 Ca 0.01 0.10 0.02 0.00 0.18 0.00 0.00 52.55 52.87 1bwu s ASP 17 Cb -0.21 -1.83 0.19 0.00 1.07 0.00 0.00 42.92 42.14 1bwu s ASP 17 CO -0.00 0.24 0.59 -0.69 1.18 0.00 0.00 175.17 176.50 1bwu s VAL 18 N -0.06 -1.00 0.00 -1.27 1.01 -0.99 -4.63 120.40 113.46 1bwu s VAL 18 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1bwu s VAL 18 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1bwu s VAL 18 CO 0.01 -0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.70 1bwu n ASN 19 N 5.42 -1.56 0.19 3.32 5.03 -1.26 -2.75 115.26 123.66 1bwu n ASN 19 Ca 0.02 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.61 1bwu n ASN 19 Cb 0.52 0.00 0.66 0.00 -1.02 0.00 0.00 39.78 39.94 1bwu n ASN 19 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1bwu h PRO 20 N 0.00 0.00 -6.91 3.52 0.13 -1.97 -3.43 132.00 123.34 1bwu h PRO 20 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1bwu h PRO 20 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1bwu h PRO 20 CO 0.00 0.00 0.44 0.71 -0.23 0.00 0.00 178.00 178.92 1bwu s TYR 21 N -3.57 3.36 -0.23 1.56 1.51 -1.11 -2.24 117.35 116.64 1bwu s TYR 21 Ca 0.00 1.66 -0.15 0.00 -1.01 0.00 0.00 57.07 57.57 1bwu s TYR 21 Cb 0.09 -3.20 0.07 0.00 -0.11 0.00 0.00 41.96 38.81 1bwu s TYR 21 CO 0.35 -0.64 0.57 -1.01 -1.11 0.00 0.00 175.55 173.70 1bwu s HIS 22 N -1.47 -0.80 -0.19 2.71 3.76 -1.10 -2.36 115.29 115.84 1bwu s HIS 22 Ca 0.53 1.71 -0.05 0.00 -0.15 0.00 0.00 55.06 57.10 1bwu s HIS 22 Cb -0.26 0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.81 1bwu s HIS 22 CO 0.33 -0.41 -0.00 0.12 -0.85 0.00 0.00 174.74 173.93 1bwu s PHE 23 N 1.21 3.06 0.02 1.40 5.36 -0.40 -1.42 117.98 127.20 1bwu s PHE 23 Ca -0.07 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.54 1bwu s PHE 23 Cb -0.06 -2.06 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1bwu s PHE 23 CO -0.12 -0.16 -0.04 -1.50 -1.46 0.00 0.00 175.22 171.94 1bwu s ILE 24 N 0.80 0.23 -0.78 3.12 2.07 -0.36 0.01 121.20 126.29 1bwu s ILE 24 Ca 0.00 -0.65 -0.15 0.00 -1.41 0.00 0.00 60.65 58.44 1bwu s ILE 24 Cb -0.14 -0.30 0.19 0.00 0.13 0.00 0.00 42.46 42.34 1bwu s ILE 24 CO 0.02 -0.28 0.77 -0.32 -1.91 0.00 0.00 174.94 173.22 1bwu s MET 25 N -0.98 3.47 1.19 3.50 -2.45 -1.12 -1.72 119.30 121.19 1bwu s MET 25 Ca -0.09 -2.18 -0.16 0.00 -1.25 0.00 0.00 55.69 52.01 1bwu s MET 25 Cb -0.07 -4.46 0.28 0.00 1.25 0.00 0.00 34.83 31.83 1bwu s MET 25 CO -0.00 -1.37 1.04 -0.65 1.05 0.00 0.00 175.02 175.09 1bwu s GLN 26 N 0.86 -1.09 0.55 4.11 -0.21 -0.45 -0.06 119.66 123.37 1bwu s GLN 26 Ca 0.17 0.39 0.35 0.00 0.02 0.00 0.00 55.36 56.29 1bwu s GLN 26 Cb -0.13 -1.57 1.90 0.00 1.00 0.00 0.00 33.01 34.21 1bwu s GLN 26 CO -0.06 -3.72 2.07 0.93 -2.12 0.00 0.00 175.29 172.38 1bwu h GLU 27 N -2.60 0.00 -6.73 2.91 3.07 -1.91 -3.38 114.58 105.93 1bwu h GLU 27 Ca -0.53 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 57.64 1bwu h GLU 27 Cb 1.33 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.98 1bwu h GLU 27 CO 0.45 0.00 -0.88 0.16 -1.40 0.00 0.00 179.01 177.34 1bwu s ASP 28 N -4.66 3.22 -1.10 1.42 -4.77 -1.25 -2.98 116.67 106.55 1bwu s ASP 28 Ca -0.04 -0.58 -0.26 0.00 -3.30 0.00 0.00 52.55 48.37 1bwu s ASP 28 Cb 0.10 -0.31 -0.21 0.00 -1.09 0.00 0.00 42.92 41.41 1bwu s ASP 28 CO 0.32 0.26 2.09 0.00 0.70 0.00 0.00 175.17 178.54 1bwu s ASN 30 N 8.26 0.20 -0.22 0.00 2.47 -1.26 -3.32 114.94 121.08 1bwu s ASN 30 Ca 0.80 0.27 -0.06 0.00 0.42 0.00 0.00 52.86 54.28 1bwu s ASN 30 Cb -0.04 0.17 -0.03 0.00 -1.45 0.00 0.00 41.25 39.89 1bwu s ASN 30 CO 0.18 -0.18 0.04 -0.22 -3.72 0.00 0.00 177.10 173.20 1bwu s LEU 31 N 1.51 3.41 0.07 3.21 2.96 -1.26 -1.34 118.68 127.25 1bwu s LEU 31 Ca -0.05 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1bwu s LEU 31 Cb -0.12 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1bwu s LEU 31 CO -0.05 0.03 -0.13 0.68 -1.32 0.00 0.00 176.35 175.55 1bwu s VAL 32 N 1.21 1.07 -0.26 1.68 -7.23 -0.70 -0.98 120.40 115.19 1bwu s VAL 32 Ca 0.04 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1bwu s VAL 32 Cb -0.14 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.74 1bwu s VAL 32 CO 0.02 -0.28 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.28 1bwu s LEU 33 N -1.83 3.33 -0.05 1.32 2.96 -0.02 -1.22 118.68 123.17 1bwu s LEU 33 Ca -0.01 -0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 53.02 1bwu s LEU 33 Cb -0.09 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1bwu s LEU 33 CO 0.02 -0.14 0.02 -0.31 -1.32 0.00 0.00 176.35 174.61 1bwu s TYR 34 N 1.35 3.16 -0.40 5.38 2.02 -0.51 -1.18 117.35 127.17 1bwu s TYR 34 Ca 0.00 0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.81 1bwu s TYR 34 Cb -0.17 -1.75 0.09 0.00 -0.40 0.00 0.00 41.96 39.73 1bwu s TYR 34 CO -0.03 0.49 0.22 0.34 -1.57 0.00 0.00 175.55 174.99 1bwu s ASP 35 N -1.22 5.44 0.00 2.29 -1.08 -0.17 -2.70 116.67 119.24 1bwu s ASP 35 Ca 0.17 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 1bwu s ASP 35 Cb -0.11 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 1bwu s ASP 35 CO 0.06 -0.52 0.00 1.41 0.52 0.00 0.00 175.17 176.65 1bwu n HIS 36 N 4.79 0.00 -0.49 -5.34 8.25 -0.95 -1.00 115.22 120.48 1bwu n HIS 36 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1bwu n HIS 36 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1bwu n HIS 36 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bwu n SER 37 N 4.14 0.14 -4.66 0.41 2.88 -1.26 -4.96 113.62 110.30 1bwu n SER 37 Ca 0.00 -0.67 -0.40 0.00 -1.33 0.00 0.00 58.87 56.47 1bwu n SER 37 Cb 0.00 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 1bwu n SER 37 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1bwu s THR 38 N -0.08 5.02 0.08 2.46 2.01 -0.17 -5.02 115.64 119.93 1bwu s THR 38 Ca 0.00 1.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.90 1bwu s THR 38 Cb 0.00 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 1bwu s THR 38 CO 0.00 0.12 1.33 -0.55 -0.69 0.00 0.00 174.62 174.83 1bwu s SER 39 N 1.16 6.91 -0.02 3.53 0.15 -1.26 -1.00 113.70 123.16 1bwu s SER 39 Ca 0.29 2.19 0.04 0.00 0.70 0.00 0.00 55.95 59.18 1bwu s SER 39 Cb -0.16 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.51 1bwu s SER 39 CO 0.11 -0.60 0.05 0.55 1.20 0.00 0.00 173.24 174.55 1bwu n VAL 40 N 4.05 0.14 -3.75 4.45 3.14 -0.32 -4.94 118.33 121.09 1bwu n VAL 40 Ca 0.11 -0.14 -0.13 0.00 -2.96 0.00 0.00 64.34 61.22 1bwu n VAL 40 Cb 0.44 -0.24 -0.09 0.00 -1.06 0.00 0.00 33.84 32.88 1bwu n VAL 40 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1bwu s TRP 41 N -2.20 -0.22 0.08 1.45 -0.00 -1.18 -5.00 118.94 111.87 1bwu s TRP 41 Ca -0.02 0.38 -0.26 0.00 -0.00 0.00 0.00 56.10 56.20 1bwu s TRP 41 Cb 0.02 0.11 0.07 0.00 -0.00 0.00 0.00 33.47 33.67 1bwu s TRP 41 CO 0.17 -0.37 0.63 0.00 -0.00 0.00 0.00 176.95 177.39 1bwu s ALA 42 N -1.11 -1.66 -0.65 5.86 0.00 -1.26 -0.84 121.76 122.10 1bwu s ALA 42 Ca -0.12 0.79 0.25 0.00 0.00 0.00 0.00 51.96 52.89 1bwu s ALA 42 Cb -0.05 0.56 0.89 0.00 0.00 0.00 0.00 23.12 24.52 1bwu s ALA 42 CO 0.04 -0.63 1.75 -1.13 0.00 0.00 0.00 175.76 175.79 1bwu n SER 43 N 0.08 0.73 -3.73 0.00 3.41 -0.15 -4.92 113.62 109.04 1bwu n SER 43 Ca -0.18 0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 58.80 1bwu n SER 43 Cb 0.62 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1bwu n SER 43 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bwu n ASN 44 N -2.22 -3.64 -0.07 4.04 5.03 -1.26 -4.88 115.26 112.26 1bwu n ASN 44 Ca 0.04 -0.72 0.08 0.00 0.87 0.00 0.00 54.58 54.85 1bwu n ASN 44 Cb 0.35 -4.32 0.12 0.00 -1.02 0.00 0.00 39.78 34.90 1bwu n ASN 44 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1bwu n THR 45 N -4.56 1.73 -1.98 3.41 -2.24 -1.26 -5.06 114.28 104.33 1bwu n THR 45 Ca -0.11 -2.05 -0.42 0.00 -2.27 0.00 0.00 64.05 59.20 1bwu n THR 45 Cb 0.60 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1bwu n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bwu s GLY 46 N -2.58 1.79 -0.26 3.38 0.00 -1.21 -4.59 107.32 103.86 1bwu s GLY 46 Ca 0.27 1.33 -0.02 0.00 0.00 0.00 0.00 44.72 46.30 1bwu s GLY 46 CO 0.03 2.52 0.24 -0.42 0.00 0.00 0.00 173.10 175.46 1bwu s ILE 47 N 0.87 -0.33 0.02 0.90 1.01 -1.26 -5.02 121.20 117.40 1bwu s ILE 47 Ca 0.67 -0.38 -0.38 0.00 0.00 0.00 0.00 60.65 60.56 1bwu s ILE 47 Cb -0.42 -0.87 -0.17 0.00 0.01 0.00 0.00 42.46 41.00 1bwu s ILE 47 CO 0.34 -0.40 1.33 -0.11 0.00 0.00 0.00 174.94 176.10 1bwu n LEU 48 N 5.31 1.40 0.00 2.97 0.00 -1.26 -1.19 117.00 124.22 1bwu n LEU 48 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.09 1bwu n LEU 48 Cb 0.47 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1bwu n LEU 48 CO 0.04 -1.14 0.00 0.61 0.00 0.00 0.00 177.39 176.90 1bwu n GLY 49 N 2.52 3.09 3.58 -3.96 0.00 -1.26 -4.97 105.19 104.18 1bwu n GLY 49 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1bwu n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwu s LYS 50 N -0.33 3.13 0.40 1.61 2.20 -0.33 -4.93 119.74 121.49 1bwu s LYS 50 Ca 0.00 -1.36 0.05 0.00 -0.36 0.00 0.00 55.97 54.30 1bwu s LYS 50 Cb 0.00 -5.34 0.07 0.00 -1.51 0.00 0.00 37.83 31.05 1bwu s LYS 50 CO 0.00 -3.14 0.55 1.17 -0.36 0.00 0.00 175.35 173.57 1bwu n LYS 51 N 8.44 0.62 -1.14 4.03 4.81 -1.16 -1.68 118.16 132.09 1bwu n LYS 51 Ca 0.45 -1.99 0.00 0.00 -0.87 0.00 0.00 58.31 55.90 1bwu n LYS 51 Cb 0.47 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1bwu n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bwu n GLY 52 N 0.30 0.53 3.88 3.14 0.00 -1.26 -4.51 105.19 107.26 1bwu n GLY 52 Ca 0.11 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1bwu n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwu s LYS 54 N -3.69 0.42 -0.28 0.00 1.02 -1.02 -2.60 119.74 113.59 1bwu s LYS 54 Ca 0.50 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.30 1bwu s LYS 54 Cb -0.10 -0.38 0.07 0.00 -0.52 0.00 0.00 37.83 36.89 1bwu s LYS 54 CO 0.29 0.10 -0.06 0.00 -0.92 0.00 0.00 175.35 174.76 1bwu s ALA 55 N -0.22 2.67 -0.04 5.17 0.00 0.20 -0.29 121.76 129.25 1bwu s ALA 55 Ca 0.01 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.06 1bwu s ALA 55 Cb -0.03 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 1bwu s ALA 55 CO -0.00 -1.32 -0.17 0.54 0.00 0.00 0.00 175.76 174.81 1bwu s VAL 56 N 1.07 1.42 -0.64 0.00 0.11 -0.60 0.08 120.40 121.84 1bwu s VAL 56 Ca -0.04 -0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 58.05 1bwu s VAL 56 Cb -0.20 -1.22 0.05 0.00 -1.53 0.00 0.00 36.38 33.47 1bwu s VAL 56 CO -0.05 0.41 1.07 -0.22 -3.33 0.00 0.00 175.10 172.98 1bwu s LEU 57 N 0.06 3.84 0.78 2.54 0.20 0.15 -2.45 118.68 123.81 1bwu s LEU 57 Ca -0.04 -0.50 -0.11 0.00 0.69 0.00 0.00 54.13 54.17 1bwu s LEU 57 Cb -0.12 -2.68 0.06 0.00 -0.43 0.00 0.00 46.19 43.02 1bwu s LEU 57 CO 0.02 -1.49 1.09 -1.10 -0.29 0.00 0.00 176.35 174.58 1bwu s GLN 58 N 4.60 2.16 0.50 1.98 -0.21 0.04 0.12 119.66 128.87 1bwu s GLN 58 Ca 0.31 1.12 0.17 0.00 0.02 0.00 0.00 55.36 56.98 1bwu s GLN 58 Cb -0.12 -1.89 1.25 0.00 1.00 0.00 0.00 33.01 33.25 1bwu s GLN 58 CO 0.16 -1.70 2.11 0.00 -2.12 0.00 0.00 175.29 173.75 1bwu h ALA 59 N -1.16 1.83 0.00 6.09 0.00 -1.91 -2.24 119.26 121.87 1bwu h ALA 59 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bwu h ALA 59 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bwu h ALA 59 CO 0.52 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1bwu n ASP 60 N -4.37 0.00 0.00 0.00 5.75 -1.26 -2.86 116.55 113.81 1bwu n ASP 60 Ca -0.03 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1bwu n ASP 60 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1bwu n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwu n GLY 61 N 0.59 0.75 3.82 6.12 0.00 -0.84 0.09 105.19 115.71 1bwu n GLY 61 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1bwu n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 62 N -2.59 6.74 -0.38 1.61 2.47 -1.25 -3.22 114.94 118.31 1bwu s ASN 62 Ca 0.00 0.88 -0.09 0.00 0.42 0.00 0.00 52.86 54.06 1bwu s ASN 62 Cb 0.00 -2.24 0.05 0.00 -1.45 0.00 0.00 41.25 37.61 1bwu s ASN 62 CO 0.00 0.27 0.20 0.12 -3.72 0.00 0.00 177.10 173.97 1bwu s PHE 63 N -0.74 3.28 0.05 0.43 5.36 -1.26 -0.78 117.98 124.32 1bwu s PHE 63 Ca 0.23 -1.27 0.09 0.00 -0.96 0.00 0.00 56.93 55.02 1bwu s PHE 63 Cb -0.16 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 1bwu s PHE 63 CO 0.12 -0.74 -0.25 0.08 -1.46 0.00 0.00 175.22 172.97 1bwu s VAL 64 N 1.47 1.99 -0.15 3.12 1.01 -1.03 0.02 120.40 126.84 1bwu s VAL 64 Ca 0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1bwu s VAL 64 Cb -0.21 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1bwu s VAL 64 CO 0.04 0.29 0.15 -0.69 0.00 0.00 0.00 175.10 174.89 1bwu s VAL 65 N -0.83 5.45 -0.03 2.92 1.01 0.25 -1.56 120.40 127.61 1bwu s VAL 65 Ca 0.10 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1bwu s VAL 65 Cb -0.10 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1bwu s VAL 65 CO 0.02 0.54 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 1bwu s TYR 66 N -0.42 2.05 0.76 5.22 2.02 0.61 -0.38 117.35 127.20 1bwu s TYR 66 Ca 0.13 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 1bwu s TYR 66 Cb -0.12 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1bwu s TYR 66 CO 0.02 -0.08 1.10 0.34 -1.57 0.00 0.00 175.55 175.36 1bwu s ASP 67 N -0.41 4.48 0.36 2.29 -1.08 0.17 -2.42 116.67 120.07 1bwu s ASP 67 Ca 0.05 1.91 0.14 0.00 -0.52 0.00 0.00 52.55 54.13 1bwu s ASP 67 Cb -0.10 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.82 1bwu s ASP 67 CO 0.00 -2.05 1.76 0.00 0.52 0.00 0.00 175.17 175.41 1bwu h ALA 68 N -0.93 2.03 -0.55 3.66 0.00 -1.78 0.49 119.26 122.19 1bwu h ALA 68 Ca -0.44 0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.10 1bwu h ALA 68 Cb 1.24 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 1bwu h ALA 68 CO 0.51 -0.45 0.45 0.39 0.00 0.00 0.00 179.25 180.15 1bwu n GLU 69 N -4.71 2.18 -2.09 0.00 -0.58 -1.26 -4.85 120.64 109.34 1bwu n GLU 69 Ca 0.25 -2.11 -0.08 0.00 -0.42 0.00 0.00 57.16 54.80 1bwu n GLU 69 Cb 0.79 -1.94 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 1bwu n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bwu n GLY 70 N 0.52 -0.10 3.92 0.62 0.00 0.16 -4.96 105.19 105.34 1bwu n GLY 70 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1bwu n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwu s ARG 71 N -4.31 3.52 -0.04 1.61 0.52 -1.23 -4.81 118.95 114.20 1bwu s ARG 71 Ca 0.00 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 1bwu s ARG 71 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1bwu s ARG 71 CO 0.00 0.51 1.04 -1.54 0.02 0.00 0.00 175.30 175.34 1bwu s SER 72 N -2.67 7.25 -0.23 0.23 1.04 -1.26 0.45 113.70 118.51 1bwu s SER 72 Ca 0.38 1.67 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 1bwu s SER 72 Cb -0.12 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.28 1bwu s SER 72 CO 0.27 -0.40 -0.00 0.18 0.98 0.00 0.00 173.24 174.27 1bwu n LEU 73 N 4.52 1.89 -3.63 2.42 7.99 0.49 -4.87 117.00 125.81 1bwu n LEU 73 Ca 0.08 0.41 -0.15 0.00 -0.01 0.00 0.00 56.01 56.34 1bwu n LEU 73 Cb 0.49 -0.91 -0.07 0.00 -0.11 0.00 0.00 43.42 42.82 1bwu n LEU 73 CO 0.53 0.30 0.30 0.86 -1.51 0.00 0.00 177.39 177.87 1bwu s TRP 74 N -2.42 -0.57 -0.01 -1.77 -0.00 -1.24 -4.99 118.94 107.95 1bwu s TRP 74 Ca -0.31 1.16 0.02 0.00 -0.00 0.00 0.00 56.10 56.96 1bwu s TRP 74 Cb 0.08 0.28 0.00 0.00 -0.00 0.00 0.00 33.47 33.83 1bwu s TRP 74 CO 0.53 -0.45 -0.05 0.00 -0.00 0.00 0.00 176.95 176.98 1bwu s ALA 75 N -0.62 0.48 0.54 5.86 0.00 -1.26 -0.59 121.76 126.18 1bwu s ALA 75 Ca -0.07 -0.18 0.21 0.00 0.00 0.00 0.00 51.96 51.92 1bwu s ALA 75 Cb -0.03 -0.17 1.47 0.00 0.00 0.00 0.00 23.12 24.39 1bwu s ALA 75 CO 0.05 0.08 2.18 0.66 0.00 0.00 0.00 175.76 178.74 1bwu h SER 76 N 6.26 0.00 -5.07 0.00 4.64 -0.78 -3.47 113.55 115.13 1bwu h SER 76 Ca -0.31 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.75 1bwu h SER 76 Cb 1.18 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.42 1bwu h SER 76 CO 0.50 0.01 -0.67 1.41 -0.87 0.00 0.00 176.83 177.20 1bwu n HIS 77 N -4.26 -1.92 -0.12 4.77 8.25 -1.26 -4.94 115.22 115.73 1bwu n HIS 77 Ca -0.03 0.77 -0.26 0.00 -0.26 0.00 0.00 57.72 57.95 1bwu n HIS 77 Cb 0.10 -4.38 -0.11 0.00 1.12 0.00 0.00 29.99 26.71 1bwu n HIS 77 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1bwu n SER 78 N -2.85 1.96 -0.78 0.41 7.64 -1.26 -5.02 113.62 113.72 1bwu n SER 78 Ca -0.19 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1bwu n SER 78 Cb 0.63 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1bwu n SER 78 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1bwu n VAL 79 N -4.03 0.00 -1.51 0.44 3.14 -1.20 -4.83 118.33 110.35 1bwu n VAL 79 Ca -0.48 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.56 1bwu n VAL 79 Cb 0.89 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.73 1bwu n VAL 79 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1bwu n ARG 80 N -0.04 2.82 -0.53 1.45 5.12 0.11 -4.95 116.66 120.64 1bwu n ARG 80 Ca 0.00 -3.44 0.07 0.00 -1.93 0.00 0.00 57.85 52.55 1bwu n ARG 80 Cb 0.00 -2.29 -0.02 0.00 -1.16 0.00 0.00 32.46 29.00 1bwu n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bwu n GLY 81 N -0.84 -2.08 3.77 -0.13 0.00 -1.13 -4.85 105.19 99.93 1bwu n GLY 81 Ca 0.59 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1bwu n GLY 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 82 N -4.06 6.12 0.00 1.61 3.84 -1.26 -4.07 114.94 117.11 1bwu s ASN 82 Ca 0.00 2.67 0.00 0.00 0.21 0.00 0.00 52.86 55.74 1bwu s ASN 82 Cb 0.00 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1bwu s ASN 82 CO 0.00 -0.98 0.00 0.61 -2.79 0.00 0.00 177.10 173.94 1bwu n GLY 83 N 0.64 -0.68 2.80 1.21 0.00 -1.14 -4.98 105.19 103.04 1bwu n GLY 83 Ca 0.05 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1bwu n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bwu s ASN 84 N -4.00 3.17 0.30 1.61 0.01 -1.26 -4.86 114.94 109.90 1bwu s ASN 84 Ca 0.00 -0.91 0.11 0.00 -0.71 0.00 0.00 52.86 51.35 1bwu s ASN 84 Cb 0.00 -0.77 -0.05 0.00 0.41 0.00 0.00 41.25 40.84 1bwu s ASN 84 CO 0.00 -0.28 -0.16 -0.31 -1.51 0.00 0.00 177.10 174.84 1bwu s TYR 85 N 1.72 2.34 -0.04 2.20 1.51 -1.26 -1.90 117.35 121.92 1bwu s TYR 85 Ca -0.02 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1bwu s TYR 85 Cb -0.18 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1bwu s TYR 85 CO -0.07 0.67 0.12 0.14 -1.11 0.00 0.00 175.55 175.30 1bwu s VAL 86 N -2.53 0.00 -0.22 0.71 -7.23 -0.72 -2.12 120.40 108.29 1bwu s VAL 86 Ca 0.31 -0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 1bwu s VAL 86 Cb -0.03 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 1bwu s VAL 86 CO 0.16 -0.01 0.01 -0.22 -0.31 0.00 0.00 175.10 174.73 1bwu s LEU 87 N 0.04 3.24 -0.02 1.32 0.20 -0.68 -1.52 118.68 121.26 1bwu s LEU 87 Ca -0.00 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.65 1bwu s LEU 87 Cb -0.01 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1bwu s LEU 87 CO 0.00 0.02 -0.24 0.54 -0.29 0.00 0.00 176.35 176.39 1bwu s VAL 88 N 1.24 1.87 -0.75 1.68 0.11 -0.62 -0.52 120.40 123.41 1bwu s VAL 88 Ca 0.04 -1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.88 1bwu s VAL 88 Cb -0.15 -1.56 0.11 0.00 -1.53 0.00 0.00 36.38 33.25 1bwu s VAL 88 CO 0.01 0.53 0.95 -0.22 -3.33 0.00 0.00 175.10 173.04 1bwu s LEU 89 N -0.47 5.01 0.53 2.54 1.98 -0.54 -2.61 118.68 125.12 1bwu s LEU 89 Ca 0.07 -1.57 -0.19 0.00 -2.89 0.00 0.00 54.13 49.54 1bwu s LEU 89 Cb -0.10 -2.37 -0.06 0.00 0.66 0.00 0.00 46.19 44.32 1bwu s LEU 89 CO -0.00 -1.18 1.10 -1.58 -1.89 0.00 0.00 176.35 172.80 1bwu s GLN 90 N 3.01 3.46 0.26 1.98 2.00 -0.49 -4.88 119.66 125.00 1bwu s GLN 90 Ca 0.23 1.52 0.22 0.00 -2.00 0.00 0.00 55.36 55.33 1bwu s GLN 90 Cb -0.14 -2.03 1.00 0.00 0.80 0.00 0.00 33.01 32.64 1bwu s GLN 90 CO 0.01 -0.74 1.66 0.39 -0.50 0.00 0.00 175.29 176.11 1bwu n GLU 91 N -1.26 0.16 -0.17 1.67 1.02 -1.26 -1.51 120.64 119.30 1bwu n GLU 91 Ca 0.11 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.79 1bwu n GLU 91 Cb 0.51 -1.88 0.15 0.00 -0.02 0.00 0.00 31.44 30.21 1bwu n GLU 91 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bwu n ASP 92 N -2.19 1.78 0.00 1.62 5.75 -1.26 -4.90 116.55 117.34 1bwu n ASP 92 Ca 0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1bwu n ASP 92 Cb 0.16 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1bwu n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwu n GLY 93 N 1.03 1.69 3.87 6.12 0.00 -0.57 -5.04 105.19 112.30 1bwu n GLY 93 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1bwu n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 94 N -3.19 6.61 -0.24 1.61 2.47 -1.25 -4.88 114.94 116.06 1bwu s ASN 94 Ca 0.00 1.00 -0.05 0.00 0.42 0.00 0.00 52.86 54.23 1bwu s ASN 94 Cb 0.00 -2.26 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1bwu s ASN 94 CO 0.00 -0.18 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.50 1bwu s VAL 95 N -2.00 3.55 0.03 -5.21 1.01 -1.26 -1.39 120.40 115.12 1bwu s VAL 95 Ca 0.49 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1bwu s VAL 95 Cb -0.11 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1bwu s VAL 95 CO 0.24 0.36 -0.17 -0.69 0.00 0.00 0.00 175.10 174.83 1bwu s VAL 96 N 1.49 1.34 -0.56 2.92 1.01 -1.07 -5.00 120.40 120.53 1bwu s VAL 96 Ca 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1bwu s VAL 96 Cb -0.15 -1.17 0.15 0.00 0.00 0.00 0.00 36.38 35.21 1bwu s VAL 96 CO -0.02 0.17 0.39 -0.63 0.00 0.00 0.00 175.10 175.02 1bwu s ILE 97 N -0.70 3.84 0.01 2.22 1.01 -1.26 -1.59 121.20 124.73 1bwu s ILE 97 Ca 0.05 -2.50 -0.27 0.00 0.00 0.00 0.00 60.65 57.93 1bwu s ILE 97 Cb -0.08 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1bwu s ILE 97 CO 0.01 -0.83 0.85 -0.31 0.00 0.00 0.00 174.94 174.66 1bwu s TYR 98 N 0.50 3.67 0.13 3.97 2.02 -0.57 -4.92 117.35 122.15 1bwu s TYR 98 Ca 0.13 1.53 0.08 0.00 -0.37 0.00 0.00 57.07 58.44 1bwu s TYR 98 Cb -0.21 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 1bwu s TYR 98 CO -0.04 0.11 -0.19 0.20 -1.57 0.00 0.00 175.55 174.07 1bwu s GLY 99 N 0.57 1.29 0.05 0.71 0.00 -1.26 -1.76 107.32 106.91 1bwu s GLY 99 Ca 0.44 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1bwu s GLY 99 CO 0.24 -1.40 0.00 1.44 0.00 0.00 0.00 173.10 173.39 1bwu n SER 100 N 0.65 -4.19 -4.71 1.64 7.64 -0.80 -4.93 113.62 108.92 1bwu n SER 100 Ca -0.16 0.47 -0.43 0.00 1.01 0.00 0.00 58.87 59.76 1bwu n SER 100 Cb 0.56 -2.26 -0.03 0.00 -1.01 0.00 0.00 64.21 61.47 1bwu n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bwu n ASP 101 N 0.58 3.69 -0.00 6.43 5.75 -1.23 -4.87 116.55 126.88 1bwu n ASP 101 Ca 0.00 1.09 0.06 0.00 -0.01 0.00 0.00 54.79 55.92 1bwu n ASP 101 Cb 0.00 -1.53 -0.08 0.00 -1.03 0.00 0.00 41.12 38.47 1bwu n ASP 101 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1bwu n ILE 102 N 3.39 0.00 -3.52 2.12 -0.00 -1.26 -5.05 119.36 115.04 1bwu n ILE 102 Ca 0.15 -0.25 -0.08 0.00 -0.00 0.00 0.00 62.75 62.56 1bwu n ILE 102 Cb 0.34 0.44 -0.02 0.00 -0.00 0.00 0.00 39.64 40.39 1bwu n ILE 102 CO 0.00 0.00 0.00 0.86 -0.00 0.00 0.00 176.55 177.41 1bwu s TRP 103 N -2.59 -0.31 -0.21 1.39 -0.00 -1.26 -5.18 118.94 110.77 1bwu s TRP 103 Ca -0.02 0.20 -0.25 0.00 -0.00 0.00 0.00 56.10 56.03 1bwu s TRP 103 Cb 0.07 0.53 0.07 0.00 -0.00 0.00 0.00 33.47 34.14 1bwu s TRP 103 CO 0.46 -0.48 0.67 0.45 -0.00 0.00 0.00 176.95 178.06 1bwu s SER 104 N -2.41 -0.69 -0.15 5.86 0.15 -1.26 -5.04 113.70 110.16 1bwu s SER 104 Ca 0.06 1.23 0.04 0.00 0.70 0.00 0.00 55.95 57.97 1bwu s SER 104 Cb -0.01 1.21 0.33 0.00 -1.71 0.00 0.00 66.02 65.85 1bwu s SER 104 CO -0.08 -0.31 1.24 0.35 1.20 0.00 0.00 173.24 175.64 1bwu n THR 105 N 2.35 1.62 -0.76 6.45 -2.24 -1.26 -5.30 114.28 115.14 1bwu n THR 105 Ca -0.15 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1bwu n THR 105 Cb 0.56 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1bwu n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09