#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 -4.24 0.55 5.15 -1.26 -2.15 115.26 113.30 1bwu n ASN 2 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1bwu n ASN 2 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1bwu n ASN 2 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1bwu s ILE 3 N -0.38 0.59 -0.24 -1.44 2.07 -1.26 -2.38 121.20 118.16 1bwu s ILE 3 Ca 0.00 -2.00 -0.02 0.00 -1.41 0.00 0.00 60.65 57.22 1bwu s ILE 3 Cb 0.00 -2.61 0.12 0.00 0.13 0.00 0.00 42.46 40.11 1bwu s ILE 3 CO 0.00 0.00 0.32 -0.22 -1.91 0.00 0.00 174.94 173.13 1bwu s LEU 4 N -3.38 -0.41 0.38 8.50 2.96 0.17 -4.97 118.68 121.93 1bwu s LEU 4 Ca 0.36 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.89 1bwu s LEU 4 Cb 0.07 0.78 -0.10 0.00 0.50 0.00 0.00 46.19 47.43 1bwu s LEU 4 CO 0.15 -0.33 0.95 -0.89 -1.32 0.00 0.00 176.35 174.91 1bwu s THR 5 N 2.44 4.27 0.11 3.68 2.01 -1.26 -0.95 115.64 125.95 1bwu s THR 5 Ca 0.10 1.63 -0.36 0.00 0.31 0.00 0.00 61.69 63.38 1bwu s THR 5 Cb -0.15 -3.79 -0.16 0.00 0.01 0.00 0.00 72.50 68.41 1bwu s THR 5 CO -0.19 -0.09 1.36 -0.46 -0.69 0.00 0.00 174.62 174.55 1bwu n ASN 6 N -0.07 1.89 0.00 3.53 0.23 0.43 -1.02 115.26 120.24 1bwu n ASN 6 Ca 0.05 1.12 0.00 0.00 -0.53 0.00 0.00 54.58 55.21 1bwu n ASN 6 Cb 0.52 -1.24 0.00 0.00 -2.08 0.00 0.00 39.78 36.98 1bwu n ASN 6 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1bwu n ASP 7 N 2.60 -0.27 -4.91 0.53 9.92 -0.16 -4.85 116.55 119.42 1bwu n ASP 7 Ca 0.18 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.17 1bwu n ASP 7 Cb 0.22 -0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.62 1bwu n ASP 7 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1bwu s GLU 8 N -0.70 3.31 0.24 -1.24 2.12 -0.19 -4.88 118.70 117.35 1bwu s GLU 8 Ca 0.00 -0.67 -0.20 0.00 0.36 0.00 0.00 54.97 54.47 1bwu s GLU 8 Cb 0.00 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.53 1bwu s GLU 8 CO 0.00 0.51 0.64 0.20 -0.54 0.00 0.00 175.26 176.07 1bwu s GLY 9 N -3.20 -0.13 -0.26 -1.50 0.00 -1.26 -1.57 107.32 99.39 1bwu s GLY 9 Ca 0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1bwu s GLY 9 CO 0.27 -0.12 0.16 1.08 0.00 0.00 0.00 173.10 174.49 1bwu s LEU 10 N -2.89 3.98 0.00 0.66 1.02 0.16 -4.93 118.68 116.68 1bwu s LEU 10 Ca 0.10 0.00 -0.09 0.00 0.02 0.00 0.00 54.13 54.17 1bwu s LEU 10 Cb -0.04 -2.09 0.17 0.00 0.02 0.00 0.00 46.19 44.25 1bwu s LEU 10 CO 0.02 -0.01 1.05 -1.22 0.02 0.00 0.00 176.35 176.21 1bwu n TYR 11 N 4.79 -3.58 -1.05 0.29 4.02 -1.26 -0.70 117.16 119.66 1bwu n TYR 11 Ca -0.15 -1.25 -0.24 0.00 -0.01 0.00 0.00 57.90 56.25 1bwu n TYR 11 Cb 0.52 -0.80 -0.10 0.00 -0.02 0.00 0.00 39.34 38.94 1bwu n TYR 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bwu n ALA 12 N -3.41 0.46 0.00 -0.72 0.00 -1.17 -1.93 120.51 113.74 1bwu n ALA 12 Ca -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1bwu n ALA 12 Cb 0.51 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 5.35 0.64 3.91 0.00 0.00 0.82 -4.82 105.19 111.08 1bwu n GLY 13 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 3.34 0.25 1.61 -0.21 -0.81 -4.83 119.66 119.01 1bwu s GLN 14 Ca 0.00 0.14 0.06 0.00 0.02 0.00 0.00 55.36 55.58 1bwu s GLN 14 Cb 0.00 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1bwu s GLN 14 CO 0.00 -0.38 0.21 -1.13 -2.12 0.00 0.00 175.29 171.87 1bwu n SER 15 N -2.38 -0.53 -3.73 5.90 3.41 -1.26 -2.36 113.62 112.66 1bwu n SER 15 Ca 0.02 -2.67 -0.21 0.00 -0.26 0.00 0.00 58.87 55.76 1bwu n SER 15 Cb 0.56 1.27 -0.18 0.00 -0.26 0.00 0.00 64.21 65.60 1bwu n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bwu s LEU 16 N 0.00 0.48 -0.12 1.04 1.43 -0.79 -3.59 118.68 117.13 1bwu s LEU 16 Ca 0.30 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1bwu s LEU 16 Cb 0.01 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.97 1bwu s LEU 16 CO 0.21 -0.20 -0.14 -1.81 0.23 0.00 0.00 176.35 174.64 1bwu s ASP 17 N 1.92 2.45 -0.47 2.29 1.01 -0.92 -2.54 116.67 120.42 1bwu s ASP 17 Ca 0.03 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 52.91 1bwu s ASP 17 Cb -0.12 -1.08 0.41 0.00 1.01 0.00 0.00 42.92 43.14 1bwu s ASP 17 CO -0.04 -0.02 1.10 0.52 0.21 0.00 0.00 175.17 176.94 1bwu n VAL 18 N 4.42 2.50 0.00 -1.27 0.31 -1.18 -4.72 118.33 118.39 1bwu n VAL 18 Ca -0.18 -5.03 0.00 0.00 -0.01 0.00 0.00 64.34 59.12 1bwu n VAL 18 Cb 0.51 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1bwu n VAL 18 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1bwu n ASN 19 N -0.44 0.00 -0.29 4.52 2.85 -1.26 -3.50 115.26 117.13 1bwu n ASN 19 Ca 0.38 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.81 1bwu n ASN 19 Cb 0.61 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.70 1bwu n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1bwu h PRO 20 N 0.00 1.07 -6.91 1.20 0.11 -1.96 -3.43 132.00 122.08 1bwu h PRO 20 Ca 0.00 -0.09 -0.48 0.00 0.11 0.00 0.00 66.00 65.54 1bwu h PRO 20 Cb 0.00 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1bwu h PRO 20 CO 0.00 0.74 0.21 0.71 -0.21 0.00 0.00 178.00 179.45 1bwu s TYR 21 N -6.01 3.38 -0.03 0.65 2.02 -1.23 0.72 117.35 116.85 1bwu s TYR 21 Ca -0.13 1.33 -0.16 0.00 -0.37 0.00 0.00 57.07 57.74 1bwu s TYR 21 Cb 0.15 -2.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.10 1bwu s TYR 21 CO 0.80 -0.06 0.34 -1.01 -1.57 0.00 0.00 175.55 174.04 1bwu s HIS 22 N -2.20 -0.24 -0.18 2.71 3.76 -0.78 -3.09 115.29 115.27 1bwu s HIS 22 Ca 0.56 0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 55.85 1bwu s HIS 22 Cb -0.10 0.12 0.06 0.00 1.11 0.00 0.00 32.58 33.77 1bwu s HIS 22 CO 0.21 -0.38 0.05 -1.17 -0.85 0.00 0.00 174.74 172.60 1bwu s LEU 23 N -1.13 0.91 -0.04 0.89 1.98 -1.05 0.03 118.68 120.27 1bwu s LEU 23 Ca -0.12 -0.72 0.02 0.00 -2.89 0.00 0.00 54.13 50.42 1bwu s LEU 23 Cb -0.05 -0.49 0.01 0.00 0.66 0.00 0.00 46.19 46.33 1bwu s LEU 23 CO 0.04 -0.31 -0.08 -0.51 -1.89 0.00 0.00 176.35 173.60 1bwu s ILE 24 N 1.94 0.74 -1.26 6.68 2.07 -0.99 -1.89 121.20 128.49 1bwu s ILE 24 Ca 0.00 -0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 58.79 1bwu s ILE 24 Cb -0.17 -0.69 0.12 0.00 0.13 0.00 0.00 42.46 41.85 1bwu s ILE 24 CO -0.08 0.25 1.62 0.80 -1.91 0.00 0.00 174.94 175.62 1bwu n MET 25 N 3.64 3.28 -0.56 3.50 0.00 -1.00 -3.05 117.12 122.94 1bwu n MET 25 Ca -0.22 -3.53 -0.29 0.00 -0.00 0.00 0.00 57.70 53.67 1bwu n MET 25 Cb 0.53 -3.28 0.20 0.00 0.00 0.00 0.00 33.22 30.67 1bwu n MET 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1bwu n GLN 26 N 7.00 -2.31 0.03 2.12 6.02 -1.06 -0.12 117.38 129.06 1bwu n GLN 26 Ca 0.43 -0.67 0.09 0.00 -0.01 0.00 0.00 57.00 56.85 1bwu n GLN 26 Cb 0.44 -1.75 0.39 0.00 1.02 0.00 0.00 30.24 30.35 1bwu n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1bwu n GLU 27 N -2.91 0.05 -1.05 -1.09 1.02 -1.26 -3.31 120.64 112.09 1bwu n GLU 27 Ca 0.03 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1bwu n GLU 27 Cb 0.56 -1.59 0.27 0.00 -0.02 0.00 0.00 31.44 30.65 1bwu n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bwu n ASP 28 N -1.68 4.51 0.00 1.62 5.68 -1.26 -4.37 116.55 121.05 1bwu n ASP 28 Ca 0.04 -3.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.05 1bwu n ASP 28 Cb 0.21 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1bwu n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bwu s ASN 30 N -2.07 6.34 -0.42 0.00 2.47 -1.26 -4.38 114.94 115.63 1bwu s ASN 30 Ca 0.00 0.39 -0.14 0.00 0.42 0.00 0.00 52.86 53.53 1bwu s ASN 30 Cb 0.00 -2.20 0.04 0.00 -1.45 0.00 0.00 41.25 37.64 1bwu s ASN 30 CO 0.00 -0.07 0.30 -0.22 -3.72 0.00 0.00 177.10 173.39 1bwu s LEU 31 N 1.42 5.18 0.13 3.21 2.96 -1.26 -2.58 118.68 127.74 1bwu s LEU 31 Ca 0.16 -1.07 0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1bwu s LEU 31 Cb -0.15 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1bwu s LEU 31 CO 0.08 -0.50 -0.22 0.68 -1.32 0.00 0.00 176.35 175.07 1bwu s VAL 32 N 1.63 1.94 -0.37 1.68 -7.23 -1.17 -1.85 120.40 115.03 1bwu s VAL 32 Ca 0.04 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1bwu s VAL 32 Cb -0.21 -1.79 0.03 0.00 0.56 0.00 0.00 36.38 34.97 1bwu s VAL 32 CO 0.08 -0.09 0.21 -0.22 -0.31 0.00 0.00 175.10 174.77 1bwu s LEU 33 N -2.20 4.73 0.40 1.32 2.96 -0.83 -2.33 118.68 122.73 1bwu s LEU 33 Ca 0.12 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 1bwu s LEU 33 Cb -0.09 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1bwu s LEU 33 CO 0.06 -0.38 0.62 -0.31 -1.32 0.00 0.00 176.35 175.01 1bwu s TYR 34 N 1.56 3.36 -0.25 5.38 1.51 0.10 -1.26 117.35 127.75 1bwu s TYR 34 Ca 0.02 0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 56.37 1bwu s TYR 34 Cb -0.19 -2.12 0.08 0.00 -0.11 0.00 0.00 41.96 39.61 1bwu s TYR 34 CO 0.07 -0.14 0.05 0.34 -1.11 0.00 0.00 175.55 174.76 1bwu s ASP 35 N -4.13 3.50 0.00 2.29 -1.08 -0.06 -1.86 116.67 115.32 1bwu s ASP 35 Ca 0.45 -1.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1bwu s ASP 35 Cb -0.10 -0.79 0.00 0.00 -1.46 0.00 0.00 42.92 40.58 1bwu s ASP 35 CO 0.37 -0.34 0.00 1.41 0.52 0.00 0.00 175.17 177.13 1bwu n HIS 36 N 4.92 0.00 -2.41 -5.34 8.25 0.22 -0.00 115.22 120.86 1bwu n HIS 36 Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.36 1bwu n HIS 36 Cb 0.45 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.60 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 1.33 -1.01 -3.80 0.41 2.88 -1.26 -4.97 113.62 107.20 1bwu n SER 37 Ca 0.00 -2.11 -0.25 0.00 -1.33 0.00 0.00 58.87 55.18 1bwu n SER 37 Cb 0.00 0.43 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.15 0.62 0.19 2.46 2.01 1.00 -5.12 115.64 116.65 1bwu s THR 38 Ca 0.08 -0.18 -0.32 0.00 0.31 0.00 0.00 61.69 61.57 1bwu s THR 38 Cb 0.26 -0.82 -0.11 0.00 0.01 0.00 0.00 72.50 71.84 1bwu s THR 38 CO -0.08 0.17 1.68 0.00 -0.69 0.00 0.00 174.62 175.70 1bwu s ALA 39 N 1.86 3.88 0.00 7.40 0.00 -1.26 -0.88 121.76 132.75 1bwu s ALA 39 Ca 0.03 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1bwu s ALA 39 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1bwu s ALA 39 CO -0.07 -0.89 0.00 0.28 0.00 0.00 0.00 175.76 175.08 1bwu n VAL 40 N 4.03 0.00 -3.77 0.00 0.31 -0.39 -4.93 118.33 113.58 1bwu n VAL 40 Ca 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1bwu n VAL 40 Cb 0.36 -0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.18 1bwu n VAL 40 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1bwu s TRP 41 N -1.95 -0.06 0.04 3.52 -0.00 -1.15 -5.00 118.94 114.34 1bwu s TRP 41 Ca 0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 56.10 55.82 1bwu s TRP 41 Cb 0.00 0.07 0.02 0.00 -0.00 0.00 0.00 33.47 33.56 1bwu s TRP 41 CO 0.00 -0.50 0.34 0.45 -0.00 0.00 0.00 176.95 177.23 1bwu s SER 42 N -2.18 -0.18 -0.00 5.86 0.15 -1.26 -1.97 113.70 114.12 1bwu s SER 42 Ca -0.04 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1bwu s SER 42 Cb -0.00 0.37 -0.26 0.00 -1.71 0.00 0.00 66.02 64.42 1bwu s SER 42 CO -0.05 -0.61 0.83 -1.28 1.20 0.00 0.00 173.24 173.34 1bwu h SER 43 N 3.23 0.29 -2.01 5.45 0.87 -1.76 -3.49 113.55 116.13 1bwu h SER 43 Ca -0.31 -0.44 -0.14 0.00 -1.23 0.00 0.00 61.79 59.67 1bwu h SER 43 Cb 1.20 -0.10 0.03 0.00 -0.44 0.00 0.00 62.40 63.09 1bwu h SER 43 CO 0.45 1.37 -0.22 -3.20 -0.53 0.00 0.00 176.83 174.70 1bwu n ASN 44 N -3.38 -3.20 -2.48 6.23 5.15 -1.26 -4.96 115.26 111.36 1bwu n ASN 44 Ca -0.16 -0.11 -0.26 0.00 -0.60 0.00 0.00 54.58 53.44 1bwu n ASN 44 Cb 1.03 -2.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1bwu n ASN 44 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bwu n THR 45 N -3.63 2.33 -1.97 -0.44 -2.24 -1.26 -4.86 114.28 102.20 1bwu n THR 45 Ca -0.03 -4.87 -0.39 0.00 -2.27 0.00 0.00 64.05 56.49 1bwu n THR 45 Cb 0.54 -1.21 0.04 0.00 -2.10 0.00 0.00 70.33 67.60 1bwu n THR 45 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bwu n ASP 46 N -0.47 7.28 -4.68 3.42 5.75 -1.26 -3.98 116.55 122.62 1bwu n ASP 46 Ca 0.38 -3.83 -0.45 0.00 -0.01 0.00 0.00 54.79 50.89 1bwu n ASP 46 Cb 0.67 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 1bwu n ASP 46 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1bwu n ILE 47 N -0.53 0.62 -1.85 2.12 -0.00 -1.26 -4.89 119.36 113.56 1bwu n ILE 47 Ca 0.53 -0.15 -0.41 0.00 -0.00 0.00 0.00 62.75 62.71 1bwu n ILE 47 Cb 0.27 -1.56 -0.00 0.00 -0.00 0.00 0.00 39.64 38.34 1bwu n ILE 47 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1bwu s PRO 48 N 0.06 4.14 0.00 0.38 0.04 -1.26 -2.15 135.00 136.21 1bwu s PRO 48 Ca 0.71 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.28 1bwu s PRO 48 Cb -0.64 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1bwu s PRO 48 CO 0.45 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1bwu n GLY 49 N 0.52 2.76 3.77 0.56 0.00 -1.26 -4.99 105.19 106.54 1bwu n GLY 49 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.05 4.36 0.20 1.61 2.20 -0.91 -5.03 119.74 122.12 1bwu s LYS 50 Ca 0.00 1.92 -0.22 0.00 -0.36 0.00 0.00 55.97 57.31 1bwu s LYS 50 Cb 0.00 -2.97 0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1bwu s LYS 50 CO 0.00 -0.08 0.65 -1.59 -0.36 0.00 0.00 175.35 173.97 1bwu s LYS 51 N -1.85 1.47 -0.97 4.03 -2.85 -1.26 -4.57 119.74 113.74 1bwu s LYS 51 Ca 0.50 -0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 54.79 1bwu s LYS 51 Cb -0.33 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1bwu s LYS 51 CO 0.43 -0.66 0.82 0.41 0.10 0.00 0.00 175.35 176.45 1bwu n GLY 52 N -0.41 -0.19 3.97 0.59 0.00 -1.26 -4.63 105.19 103.26 1bwu n GLY 52 Ca -0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.48 0.48 -0.13 0.00 -2.85 -0.68 -3.03 119.74 108.04 1bwu s LYS 54 Ca 0.71 0.79 -0.17 0.00 -1.00 0.00 0.00 55.97 56.29 1bwu s LYS 54 Cb -0.04 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.78 1bwu s LYS 54 CO 0.48 -0.13 0.42 0.00 0.10 0.00 0.00 175.35 176.23 1bwu s ALA 55 N 1.03 3.51 -0.06 0.59 0.00 0.12 -1.70 121.76 125.25 1bwu s ALA 55 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 1bwu s ALA 55 Cb -0.06 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1bwu s ALA 55 CO -0.09 0.01 0.05 0.08 0.00 0.00 0.00 175.76 175.81 1bwu s VAL 56 N 0.62 0.04 0.36 0.00 1.01 0.43 0.38 120.40 123.24 1bwu s VAL 56 Ca 0.23 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 1bwu s VAL 56 Cb -0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 36.38 35.82 1bwu s VAL 56 CO 0.08 0.15 0.83 -0.22 0.00 0.00 0.00 175.10 175.94 1bwu s LEU 57 N 2.11 4.04 0.39 3.92 0.20 -0.61 -1.69 118.68 127.04 1bwu s LEU 57 Ca 0.05 1.47 0.04 0.00 0.69 0.00 0.00 54.13 56.38 1bwu s LEU 57 Cb -0.13 -4.23 -0.02 0.00 -0.43 0.00 0.00 46.19 41.38 1bwu s LEU 57 CO -0.04 -0.25 0.16 -1.10 -0.29 0.00 0.00 176.35 174.83 1bwu s GLN 58 N -2.96 1.90 0.29 1.98 -0.21 -1.03 -0.99 119.66 118.64 1bwu s GLN 58 Ca 0.56 -2.15 0.04 0.00 0.02 0.00 0.00 55.36 53.84 1bwu s GLN 58 Cb -0.10 -0.43 0.45 0.00 1.00 0.00 0.00 33.01 33.92 1bwu s GLN 58 CO 0.16 -0.51 1.73 0.77 -2.12 0.00 0.00 175.29 175.32 1bwu h SER 59 N 1.85 0.40 0.00 5.90 0.02 -1.88 -2.54 113.55 117.30 1bwu h SER 59 Ca -0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1bwu h SER 59 Cb 1.27 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1bwu h SER 59 CO 0.53 0.68 0.00 -0.90 -1.14 0.00 0.00 176.83 176.00 1bwu n ASP 60 N -4.10 0.00 0.00 3.07 5.68 -1.26 -1.80 116.55 118.14 1bwu n ASP 60 Ca -0.01 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1bwu n ASP 60 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1bwu n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwu n GLY 61 N 0.81 0.81 3.72 6.12 0.00 -0.96 -1.39 105.19 114.31 1bwu n GLY 61 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.72 6.91 -0.43 1.61 2.47 -1.26 -4.30 114.94 117.23 1bwu s ASN 62 Ca 0.00 1.09 -0.17 0.00 0.42 0.00 0.00 52.86 54.20 1bwu s ASN 62 Cb 0.00 -2.38 0.03 0.00 -1.45 0.00 0.00 41.25 37.45 1bwu s ASN 62 CO 0.00 -0.07 0.44 0.12 -3.72 0.00 0.00 177.10 173.86 1bwu s PHE 63 N 0.69 3.17 0.33 0.43 5.36 -1.26 -2.47 117.98 124.23 1bwu s PHE 63 Ca 0.34 -0.42 0.09 0.00 -0.96 0.00 0.00 56.93 55.98 1bwu s PHE 63 Cb -0.17 -2.92 -0.05 0.00 -0.34 0.00 0.00 43.02 39.54 1bwu s PHE 63 CO 0.16 -0.71 0.02 0.08 -1.46 0.00 0.00 175.22 173.31 1bwu s VAL 64 N 2.11 2.79 0.07 3.12 1.01 -0.68 -1.29 120.40 127.53 1bwu s VAL 64 Ca 0.11 -1.94 0.07 0.00 0.00 0.00 0.00 61.98 60.22 1bwu s VAL 64 Cb -0.18 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1bwu s VAL 64 CO 0.13 -0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.12 1bwu s VAL 65 N -2.48 1.49 0.11 2.92 1.01 -0.93 -0.43 120.40 122.10 1bwu s VAL 65 Ca 0.34 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1bwu s VAL 65 Cb -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1bwu s VAL 65 CO 0.20 0.02 0.11 -0.31 0.00 0.00 0.00 175.10 175.12 1bwu s TYR 66 N -0.99 0.53 0.00 5.22 1.51 -0.69 -2.15 117.35 120.78 1bwu s TYR 66 Ca 0.05 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 1bwu s TYR 66 Cb -0.09 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.48 1bwu s TYR 66 CO 0.03 -0.54 0.00 -0.40 -1.11 0.00 0.00 175.55 173.53 1bwu n ASP 67 N -0.06 0.00 -4.55 2.29 5.75 -1.18 -1.69 116.55 117.11 1bwu n ASP 67 Ca -0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.35 1bwu n ASP 67 Cb 0.63 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.68 1bwu n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bwu s ALA 68 N -2.00 1.79 -0.28 2.12 0.00 -1.26 -4.18 121.76 117.95 1bwu s ALA 68 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1bwu s ALA 68 Cb 0.00 -4.39 0.01 0.00 0.00 0.00 0.00 23.12 18.74 1bwu s ALA 68 CO 0.00 -4.42 0.17 -1.91 0.00 0.00 0.00 175.76 169.60 1bwu n GLU 69 N 9.05 -2.47 0.00 0.00 2.13 -1.26 -4.84 120.64 123.25 1bwu n GLU 69 Ca 0.31 2.13 0.00 0.00 0.66 0.00 0.00 57.16 60.26 1bwu n GLU 69 Cb 0.51 -4.59 0.00 0.00 0.27 0.00 0.00 31.44 27.63 1bwu n GLU 69 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bwu n GLY 70 N 0.24 0.83 2.70 8.31 0.00 -1.26 -5.02 105.19 111.00 1bwu n GLY 70 Ca 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 1bwu n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwu n ALA 71 N 6.20 -3.43 -2.48 4.61 0.00 -1.26 -3.09 120.51 121.06 1bwu n ALA 71 Ca 0.00 1.47 -0.42 0.00 0.00 0.00 0.00 53.44 54.49 1bwu n ALA 71 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1bwu n ALA 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bwu s SER 72 N -1.04 7.20 -0.18 0.00 1.04 -1.26 -3.33 113.70 116.12 1bwu s SER 72 Ca -0.15 1.90 -0.23 0.00 0.48 0.00 0.00 55.95 57.95 1bwu s SER 72 Cb 0.01 -2.58 -0.20 0.00 0.10 0.00 0.00 66.02 63.35 1bwu s SER 72 CO 0.73 -0.37 0.36 -0.07 0.98 0.00 0.00 173.24 174.87 1bwu h LEU 73 N 6.61 0.00 -9.13 2.42 4.07 -1.78 -3.49 115.31 114.02 1bwu h LEU 73 Ca -0.42 -0.62 -0.45 0.00 0.08 0.00 0.00 57.88 56.47 1bwu h LEU 73 Cb 1.22 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.82 1bwu h LEU 73 CO 0.78 1.28 -0.63 0.86 -1.08 0.00 0.00 178.44 179.65 1bwu s TRP 74 N -2.29 1.87 -0.35 1.13 -0.00 -1.26 -5.02 118.94 113.01 1bwu s TRP 74 Ca -0.24 -0.89 -0.06 0.00 -0.00 0.00 0.00 56.10 54.90 1bwu s TRP 74 Cb 0.03 -1.16 0.21 0.00 -0.00 0.00 0.00 33.47 32.55 1bwu s TRP 74 CO 0.59 0.06 1.08 0.00 -0.00 0.00 0.00 176.95 178.67 1bwu s ALA 75 N -3.27 -4.39 0.00 5.86 0.00 -1.26 -2.18 121.76 116.53 1bwu s ALA 75 Ca 0.33 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1bwu s ALA 75 Cb 0.07 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1bwu s ALA 75 CO 0.13 -2.51 0.00 -1.13 0.00 0.00 0.00 175.76 172.25 1bwu n SER 76 N 2.69 0.00 0.00 0.00 3.41 -0.41 -4.58 113.62 114.73 1bwu n SER 76 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1bwu n SER 76 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1bwu n SER 76 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bwu n HIS 77 N -0.44 0.00 0.47 7.33 8.25 -1.26 -4.97 115.22 124.60 1bwu n HIS 77 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1bwu n HIS 77 Cb 0.00 -0.15 0.07 0.00 1.12 0.00 0.00 29.99 31.03 1bwu n HIS 77 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bwu n SER 78 N 0.61 2.76 -4.46 0.41 3.41 -1.26 -4.81 113.62 110.28 1bwu n SER 78 Ca 0.00 -2.33 -0.21 0.00 -0.26 0.00 0.00 58.87 56.06 1bwu n SER 78 Cb 0.00 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 1bwu n SER 78 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1bwu n VAL 79 N 0.12 0.62 0.08 -3.33 0.31 -1.26 -4.18 118.33 110.69 1bwu n VAL 79 Ca 0.12 -0.63 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 1bwu n VAL 79 Cb 0.67 -2.06 -0.14 0.00 -0.91 0.00 0.00 33.84 31.40 1bwu n VAL 79 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1bwu h ARG 80 N 10.86 0.51 0.00 5.55 9.65 -1.53 -3.49 114.38 135.94 1bwu h ARG 80 Ca 0.10 -0.73 0.00 0.00 -1.10 0.00 0.00 59.98 58.25 1bwu h ARG 80 Cb 0.95 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1bwu h ARG 80 CO 1.18 1.33 0.00 0.41 2.80 0.00 0.00 179.97 185.69 1bwu n GLY 81 N 1.46 1.67 3.63 2.80 0.00 -1.07 -5.07 105.19 108.62 1bwu n GLY 81 Ca -0.14 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 6.44 0.00 1.61 2.47 -1.26 -3.98 114.94 120.22 1bwu s ASN 82 Ca 0.00 1.69 0.00 0.00 0.42 0.00 0.00 52.86 54.97 1bwu s ASN 82 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1bwu s ASN 82 CO 0.00 -1.20 0.00 0.61 -3.72 0.00 0.00 177.10 172.79 1bwu n GLY 83 N 4.55 3.41 2.96 1.21 0.00 -0.74 -4.99 105.19 111.59 1bwu n GLY 83 Ca 0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 2.00 3.41 0.26 1.61 0.01 -1.26 -4.84 114.94 116.12 1bwu s ASN 84 Ca 0.00 -0.92 0.09 0.00 -0.71 0.00 0.00 52.86 51.32 1bwu s ASN 84 Cb 0.00 -1.15 -0.05 0.00 0.41 0.00 0.00 41.25 40.46 1bwu s ASN 84 CO 0.00 -0.18 -0.15 -0.31 -1.51 0.00 0.00 177.10 174.95 1bwu s TYR 85 N 1.45 2.03 -0.06 2.20 2.02 -1.26 -1.69 117.35 122.03 1bwu s TYR 85 Ca -0.02 -0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1bwu s TYR 85 Cb -0.17 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1bwu s TYR 85 CO -0.07 0.51 0.17 0.14 -1.57 0.00 0.00 175.55 174.72 1bwu s VAL 86 N -2.77 -0.00 -0.19 0.71 -7.23 -1.23 -0.43 120.40 109.25 1bwu s VAL 86 Ca 0.27 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1bwu s VAL 86 Cb -0.01 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.67 1bwu s VAL 86 CO 0.11 0.00 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.65 1bwu s LEU 87 N 0.10 3.07 -0.02 1.32 2.96 -0.13 -1.36 118.68 124.63 1bwu s LEU 87 Ca -0.00 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1bwu s LEU 87 Cb -0.01 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1bwu s LEU 87 CO 0.00 0.06 -0.12 0.54 -1.32 0.00 0.00 176.35 175.50 1bwu s VAL 88 N 1.03 1.02 -0.59 1.68 0.11 -0.70 -0.65 120.40 122.29 1bwu s VAL 88 Ca 0.01 -0.52 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 1bwu s VAL 88 Cb -0.15 -0.86 0.09 0.00 -1.53 0.00 0.00 36.38 33.93 1bwu s VAL 88 CO 0.01 0.29 0.76 -0.22 -3.33 0.00 0.00 175.10 172.61 1bwu s LEU 89 N -0.12 5.04 1.19 2.54 0.20 -1.00 -2.23 118.68 124.29 1bwu s LEU 89 Ca 0.02 -1.20 -0.15 0.00 0.69 0.00 0.00 54.13 53.49 1bwu s LEU 89 Cb -0.07 -2.38 0.28 0.00 -0.43 0.00 0.00 46.19 43.60 1bwu s LEU 89 CO 0.00 -1.15 1.03 -1.10 -0.29 0.00 0.00 176.35 174.84 1bwu s GLN 90 N 3.04 -1.09 0.20 1.98 -0.21 -1.12 -4.83 119.66 117.63 1bwu s GLN 90 Ca 0.15 0.52 0.01 0.00 0.02 0.00 0.00 55.36 56.05 1bwu s GLN 90 Cb -0.21 -1.56 0.12 0.00 1.00 0.00 0.00 33.01 32.36 1bwu s GLN 90 CO 0.09 -3.75 1.48 1.49 -2.12 0.00 0.00 175.29 172.48 1bwu h GLU 91 N -2.63 0.36 0.00 2.91 4.57 -1.94 -3.07 114.58 114.78 1bwu h GLU 91 Ca -0.56 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.27 1bwu h GLU 91 Cb 1.33 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1bwu h GLU 91 CO 0.47 0.90 -0.39 0.38 -1.18 0.00 0.00 179.01 179.19 1bwu h ASP 92 N 0.25 0.00 0.00 1.04 3.04 -1.98 -3.48 116.42 115.29 1bwu h ASP 92 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1bwu h ASP 92 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1bwu h ASP 92 CO 0.11 0.39 0.00 0.61 -2.04 0.00 0.00 179.24 178.31 1bwu n GLY 93 N 0.43 3.60 3.67 7.15 0.00 -1.16 -5.10 105.19 113.78 1bwu n GLY 93 Ca 0.00 -0.80 -0.56 0.00 0.00 0.00 0.00 46.02 44.66 1bwu n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bwu n ASN 94 N 0.00 2.09 -4.51 1.61 5.15 -1.26 -4.24 115.26 114.10 1bwu n ASN 94 Ca 0.00 1.09 -0.43 0.00 -0.60 0.00 0.00 54.58 54.64 1bwu n ASN 94 Cb 0.00 -1.15 -0.05 0.00 -0.53 0.00 0.00 39.78 38.05 1bwu n ASN 94 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bwu s VAL 95 N 2.46 4.50 0.31 3.44 1.01 -1.26 -2.78 120.40 128.08 1bwu s VAL 95 Ca 0.94 0.12 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1bwu s VAL 95 Cb -1.04 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 30.83 1bwu s VAL 95 CO 0.59 -1.03 0.23 -0.69 0.00 0.00 0.00 175.10 174.20 1bwu s VAL 96 N 3.64 3.67 -0.08 2.92 1.01 -0.95 -4.96 120.40 125.66 1bwu s VAL 96 Ca 0.27 -1.46 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1bwu s VAL 96 Cb -0.14 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1bwu s VAL 96 CO 0.18 -0.23 -0.14 -0.63 0.00 0.00 0.00 175.10 174.27 1bwu s ILE 97 N -2.28 1.33 -0.20 2.22 1.01 -1.26 -1.72 121.20 120.30 1bwu s ILE 97 Ca 0.38 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1bwu s ILE 97 Cb -0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1bwu s ILE 97 CO 0.25 0.40 0.03 -0.31 0.00 0.00 0.00 174.94 175.31 1bwu s TYR 98 N 0.71 3.10 -0.49 3.97 2.02 -0.46 -4.97 117.35 121.23 1bwu s TYR 98 Ca -0.13 -0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 1bwu s TYR 98 Cb -0.16 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1bwu s TYR 98 CO 0.03 -0.13 1.15 0.20 -1.57 0.00 0.00 175.55 175.23 1bwu s GLY 99 N 0.90 1.26 0.19 0.71 0.00 -1.26 -3.54 107.32 105.58 1bwu s GLY 99 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1bwu s GLY 99 CO 0.02 2.44 0.00 1.44 0.00 0.00 0.00 173.10 177.00 1bwu n SER 100 N 7.96 -2.71 -4.78 1.64 7.64 -0.68 -4.87 113.62 117.83 1bwu n SER 100 Ca 0.12 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.19 1bwu n SER 100 Cb 0.49 -2.67 -0.01 0.00 -1.01 0.00 0.00 64.21 61.01 1bwu n SER 100 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1bwu s ASP 101 N -4.45 6.44 -0.11 6.43 1.47 -1.25 -4.92 116.67 120.28 1bwu s ASP 101 Ca 0.00 2.96 0.08 0.00 1.18 0.00 0.00 52.55 56.77 1bwu s ASP 101 Cb 0.00 -2.66 -0.13 0.00 -0.34 0.00 0.00 42.92 39.79 1bwu s ASP 101 CO 0.00 -0.80 0.01 -0.38 0.68 0.00 0.00 175.17 174.69 1bwu n ILE 102 N 0.62 0.75 -3.54 2.11 2.08 -1.26 -5.05 119.36 115.07 1bwu n ILE 102 Ca 0.01 -0.43 -0.15 0.00 0.56 0.00 0.00 62.75 62.74 1bwu n ILE 102 Cb 0.40 -0.76 -0.05 0.00 -0.75 0.00 0.00 39.64 38.48 1bwu n ILE 102 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 1bwu s TRP 103 N -2.26 -0.53 0.29 1.39 -0.00 -1.26 -5.19 118.94 111.38 1bwu s TRP 103 Ca -0.07 0.89 -0.14 0.00 -0.00 0.00 0.00 56.10 56.78 1bwu s TRP 103 Cb 0.03 0.43 0.01 0.00 -0.00 0.00 0.00 33.47 33.95 1bwu s TRP 103 CO 0.42 -0.50 0.57 -1.54 -0.00 0.00 0.00 176.95 175.91 1bwu s SER 104 N -1.21 0.02 0.00 5.86 1.04 -1.26 -5.04 113.70 113.11 1bwu s SER 104 Ca -0.07 -0.96 0.22 0.00 0.48 0.00 0.00 55.95 55.62 1bwu s SER 104 Cb -0.00 0.66 -0.16 0.00 0.10 0.00 0.00 66.02 66.62 1bwu s SER 104 CO 0.06 -1.28 0.88 0.35 0.98 0.00 0.00 173.24 174.22 1bwu n THR 105 N -0.44 0.02 -3.79 2.02 -2.24 -1.26 -4.99 114.28 103.60 1bwu n THR 105 Ca -0.03 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 1bwu n THR 105 Cb 0.61 0.66 0.04 0.00 -2.10 0.00 0.00 70.33 69.54 1bwu n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bwu n ASN 106 N -1.70 -4.09 -2.57 3.42 3.02 -1.26 -4.91 115.26 107.18 1bwu n ASN 106 Ca 0.02 -0.74 -0.32 0.00 -0.03 0.00 0.00 54.58 53.51 1bwu n ASN 106 Cb 0.39 -4.17 0.03 0.00 -0.61 0.00 0.00 39.78 35.41 1bwu n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bwu n THR 107 N -4.62 2.99 -1.91 3.41 -2.24 -1.26 -5.05 114.28 105.59 1bwu n THR 107 Ca -0.06 -4.39 -0.31 0.00 -2.27 0.00 0.00 64.05 57.02 1bwu n THR 107 Cb 0.57 -1.23 0.02 0.00 -2.10 0.00 0.00 70.33 67.59 1bwu n THR 107 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1bwu s TYR 108 N -3.78 3.56 -1.80 4.78 1.13 -1.26 -5.31 117.35 114.67 1bwu s TYR 108 Ca 0.52 1.21 0.14 0.00 -1.41 0.00 0.00 57.07 57.53 1bwu s TYR 108 Cb 0.43 -2.77 0.11 0.00 -1.10 0.00 0.00 41.96 38.63 1bwu s TYR 108 CO -0.23 -0.77 0.96 1.63 -2.51 0.00 0.00 175.55 174.63