#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azu s SER 4 N 0.00 2.91 0.13 0.00 0.01 -1.26 -2.94 113.70 112.55 1azu s SER 4 Ca 0.00 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1azu s SER 4 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1azu s SER 4 CO 0.00 0.03 -0.14 0.54 0.41 0.00 0.00 173.24 174.08 1azu s VAL 5 N -1.77 1.39 -0.25 3.43 0.11 -0.79 -5.03 120.40 117.49 1azu s VAL 5 Ca 0.16 -1.77 -0.03 0.00 -2.93 0.00 0.00 61.98 57.40 1azu s VAL 5 Cb -0.07 -1.60 0.10 0.00 -1.53 0.00 0.00 36.38 33.28 1azu s VAL 5 CO 0.07 -0.43 0.18 -1.81 -3.33 0.00 0.00 175.10 169.79 1azu s ASP 6 N -2.54 2.43 0.12 3.54 1.01 -1.26 -2.77 116.67 117.20 1azu s ASP 6 Ca 0.10 -0.83 0.10 0.00 0.71 0.00 0.00 52.55 52.64 1azu s ASP 6 Cb -0.04 0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 1azu s ASP 6 CO 0.03 -0.39 -0.24 0.27 0.21 0.00 0.00 175.17 175.05 1azu s ILE 7 N 2.22 2.42 -0.21 0.77 -4.36 -1.15 -5.00 121.20 115.89 1azu s ILE 7 Ca 0.08 -1.66 -0.19 0.00 -0.26 0.00 0.00 60.65 58.61 1azu s ILE 7 Cb -0.15 -2.07 0.05 0.00 1.25 0.00 0.00 42.46 41.54 1azu s ILE 7 CO -0.26 0.11 0.56 0.00 0.24 0.00 0.00 174.94 175.59 1azu s GLN 8 N -2.03 0.65 0.29 0.37 -2.07 -1.26 -2.48 119.66 113.13 1azu s GLN 8 Ca 0.15 0.78 0.08 0.00 -1.82 0.00 0.00 55.36 54.55 1azu s GLN 8 Cb -0.10 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1azu s GLN 8 CO 0.07 -0.08 0.15 0.20 -1.32 0.00 0.00 175.29 174.31 1azu s GLY 9 N 0.32 1.65 0.00 2.60 0.00 -1.25 -3.48 107.32 107.16 1azu s GLY 9 Ca -0.00 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1azu s GLY 9 CO 0.00 -1.61 0.00 -2.01 0.00 0.00 0.00 173.10 169.49 1azu n ASN 10 N -1.14 0.00 -0.60 1.64 4.05 -1.25 -4.13 115.26 113.83 1azu n ASN 10 Ca -0.05 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.03 1azu n ASN 10 Cb 0.59 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.75 1azu n ASN 10 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1azu n ASP 11 N 0.00 2.96 0.01 1.20 9.92 -1.26 -4.56 116.55 124.82 1azu n ASP 11 Ca 0.00 -2.17 0.11 0.00 -0.53 0.00 0.00 54.79 52.20 1azu n ASP 11 Cb 0.00 -0.26 -0.11 0.00 -0.64 0.00 0.00 41.12 40.12 1azu n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1azu n GLN 12 N 0.23 0.44 -0.33 -1.24 1.13 -1.26 -4.91 117.38 111.43 1azu n GLN 12 Ca 0.12 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1azu n GLN 12 Cb 0.48 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1azu n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1azu n MET 13 N -2.06 0.00 -0.24 -1.09 2.81 -1.26 -5.09 117.12 110.18 1azu n MET 13 Ca -0.01 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1azu n MET 13 Cb 0.49 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1azu n MET 13 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1azu n GLN 14 N -2.33 2.28 -1.83 0.03 3.00 -1.26 -4.06 117.38 113.21 1azu n GLN 14 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1azu n GLN 14 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 1azu n GLN 14 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1azu n PHE 15 N -0.30 -0.78 -3.31 1.08 0.99 -1.26 -3.94 117.46 109.94 1azu n PHE 15 Ca 0.00 -0.37 0.03 0.00 -0.00 0.00 0.00 57.45 57.11 1azu n PHE 15 Cb 0.00 0.11 -0.02 0.00 -1.00 0.00 0.00 39.48 38.56 1azu n PHE 15 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1azu s ASN 16 N -1.36 -0.95 0.00 4.37 2.20 -1.23 -4.90 114.94 113.08 1azu s ASN 16 Ca 0.04 0.88 0.00 0.00 -0.94 0.00 0.00 52.86 52.84 1azu s ASN 16 Cb -0.00 1.91 0.00 0.00 -2.00 0.00 0.00 41.25 41.16 1azu s ASN 16 CO 0.03 -0.18 0.00 0.35 -2.94 0.00 0.00 177.10 174.36 1azu n THR 17 N 5.34 0.00 -1.94 0.54 -2.24 -1.26 -4.25 114.28 110.48 1azu n THR 17 Ca -0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 1azu n THR 17 Cb 0.52 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1azu n THR 17 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1azu n ASN 18 N 0.00 7.37 0.00 3.42 2.04 -1.26 -4.68 115.26 122.15 1azu n ASN 18 Ca 0.00 -3.72 0.00 0.00 -0.44 0.00 0.00 54.58 50.42 1azu n ASN 18 Cb 0.00 -1.11 0.00 0.00 -2.53 0.00 0.00 39.78 36.14 1azu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1azu n ALA 19 N -0.23 0.00 -2.81 -2.53 0.00 -1.26 -3.75 120.51 109.93 1azu n ALA 19 Ca 0.53 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1azu n ALA 19 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 1azu n ALA 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1azu s ILE 20 N 0.00 5.34 -0.16 0.00 -1.09 0.19 -4.82 121.20 120.65 1azu s ILE 20 Ca 0.00 0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1azu s ILE 20 Cb 0.00 -3.57 0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1azu s ILE 20 CO 0.00 0.32 0.01 -0.89 -1.23 0.00 0.00 174.94 173.14 1azu s THR 21 N -1.35 0.63 -0.13 2.92 2.01 -1.26 -0.41 115.64 118.05 1azu s THR 21 Ca 0.29 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 1azu s THR 21 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1azu s THR 21 CO 0.18 -0.02 0.08 0.54 -0.69 0.00 0.00 174.62 174.71 1azu s VAL 22 N 1.83 4.94 0.47 3.82 0.11 -1.07 -5.01 120.40 125.48 1azu s VAL 22 Ca 0.01 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 1azu s VAL 22 Cb -0.16 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1azu s VAL 22 CO -0.07 0.56 0.98 -0.62 -3.33 0.00 0.00 175.10 172.61 1azu s ASP 23 N -0.48 6.72 0.12 3.54 3.68 -1.26 -0.62 116.67 128.37 1azu s ASP 23 Ca 0.10 1.67 0.15 0.00 2.13 0.00 0.00 52.55 56.61 1azu s ASP 23 Cb -0.12 -2.53 -0.09 0.00 -1.45 0.00 0.00 42.92 38.73 1azu s ASP 23 CO 0.02 -0.51 1.02 0.11 0.13 0.00 0.00 175.17 175.94 1azu h LYS 24 N 1.46 0.00 -3.27 4.34 1.57 -1.98 -3.35 116.57 115.32 1azu h LYS 24 Ca -0.48 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.60 1azu h LYS 24 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1azu h LYS 24 CO 0.61 0.42 3.39 0.45 -0.57 0.00 0.00 179.45 183.74 1azu n SER 25 N -3.03 7.07 -2.71 0.86 2.88 -1.26 -4.45 113.62 112.99 1azu n SER 25 Ca -0.06 -2.74 -0.03 0.00 -1.33 0.00 0.00 58.87 54.70 1azu n SER 25 Cb 0.83 -1.56 0.03 0.00 -0.75 0.00 0.00 64.21 62.76 1azu n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1azu n LYS 27 N 2.74 0.00 -4.11 0.00 4.01 -1.26 -4.66 118.16 114.89 1azu n LYS 27 Ca 0.13 0.49 -0.13 0.00 -0.51 0.00 0.00 58.31 58.30 1azu n LYS 27 Cb 0.62 -1.16 -0.06 0.00 -0.51 0.00 0.00 35.03 33.92 1azu n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1azu s GLN 28 N -3.60 1.61 0.02 1.97 -0.21 -1.26 -3.54 119.66 114.64 1azu s GLN 28 Ca -0.02 -1.60 0.02 0.00 0.02 0.00 0.00 55.36 53.78 1azu s GLN 28 Cb 0.10 0.40 -0.01 0.00 1.00 0.00 0.00 33.01 34.49 1azu s GLN 28 CO 0.34 -0.63 -0.06 0.12 -2.12 0.00 0.00 175.29 172.94 1azu s PHE 29 N -3.66 0.50 -0.01 0.91 5.99 0.20 -4.89 117.98 117.01 1azu s PHE 29 Ca 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 56.93 56.91 1azu s PHE 29 Cb 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 43.02 42.73 1azu s PHE 29 CO 0.15 -0.06 0.04 -0.08 -0.00 0.00 0.00 175.22 175.27 1azu s THR 30 N -0.85 -0.01 -0.03 0.12 -1.32 -1.15 -0.92 115.64 111.49 1azu s THR 30 Ca -0.06 0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.51 1azu s THR 30 Cb -0.06 -0.06 -0.03 0.00 -1.51 0.00 0.00 72.50 70.84 1azu s THR 30 CO 0.00 0.01 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.57 1azu s VAL 31 N 0.20 2.91 -0.09 5.08 1.01 -0.73 -1.88 120.40 126.90 1azu s VAL 31 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1azu s VAL 31 Cb -0.02 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1azu s VAL 31 CO -0.01 0.53 -0.07 0.20 0.00 0.00 0.00 175.10 175.76 1azu s ASN 32 N -0.88 1.82 -0.02 3.32 0.02 -1.11 -0.55 114.94 117.54 1azu s ASN 32 Ca 0.12 -0.24 -0.01 0.00 -1.02 0.00 0.00 52.86 51.72 1azu s ASN 32 Cb -0.11 -0.71 -0.04 0.00 0.02 0.00 0.00 41.25 40.41 1azu s ASN 32 CO 0.02 -0.09 0.06 -0.76 0.02 0.00 0.00 177.10 176.35 1azu s LEU 33 N 1.43 3.84 0.00 0.60 1.43 0.11 -2.93 118.68 123.16 1azu s LEU 33 Ca -0.01 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1azu s LEU 33 Cb -0.13 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1azu s LEU 33 CO -0.04 0.29 0.00 -0.24 0.23 0.00 0.00 176.35 176.59 1azu n SER 34 N 1.35 1.43 -3.22 2.29 2.88 -1.04 -1.89 113.62 115.43 1azu n SER 34 Ca -0.14 -0.36 0.04 0.00 -1.33 0.00 0.00 58.87 57.07 1azu n SER 34 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1azu n SER 34 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1azu s HIS 35 N -0.19 -0.24 -0.03 0.66 2.46 -1.05 -3.82 115.29 113.09 1azu s HIS 35 Ca 0.00 0.38 -0.08 0.00 0.47 0.00 0.00 55.06 55.82 1azu s HIS 35 Cb 0.00 0.13 -0.05 0.00 -0.13 0.00 0.00 32.58 32.53 1azu s HIS 35 CO 0.00 -0.12 0.45 -1.35 -2.47 0.00 0.00 174.74 171.25 1azu h PRO 36 N 7.32 -0.29 0.00 2.88 0.11 -1.88 0.56 132.00 140.69 1azu h PRO 36 Ca -0.13 0.02 -0.39 0.00 0.11 0.00 0.00 66.00 65.61 1azu h PRO 36 Cb 1.13 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1azu h PRO 36 CO 0.02 -0.20 -0.17 0.41 -0.21 0.00 0.00 178.00 177.85 1azu n GLY 37 N 0.77 2.78 3.40 -0.55 0.00 -1.26 -4.79 105.19 105.53 1azu n GLY 37 Ca -0.04 -2.25 -0.45 0.00 0.00 0.00 0.00 46.02 43.28 1azu n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1azu s ASN 38 N -3.20 6.92 -0.32 1.61 0.01 -1.26 -4.31 114.94 114.38 1azu s ASN 38 Ca 0.23 -2.75 0.01 0.00 -0.71 0.00 0.00 52.86 49.63 1azu s ASN 38 Cb -0.02 -2.32 0.14 0.00 0.41 0.00 0.00 41.25 39.47 1azu s ASN 38 CO 0.14 -0.71 0.33 -0.76 -1.51 0.00 0.00 177.10 174.59 1azu s LEU 39 N 1.02 -0.15 0.00 0.60 2.01 -1.26 -5.09 118.68 115.81 1azu s LEU 39 Ca 0.31 -1.12 -0.04 0.00 0.01 0.00 0.00 54.13 53.30 1azu s LEU 39 Cb -0.07 0.52 0.05 0.00 0.01 0.00 0.00 46.19 46.71 1azu s LEU 39 CO -0.07 -0.33 0.12 -2.65 1.01 0.00 0.00 176.35 174.43 1azu n PRO 40 N 4.84 1.01 -0.54 1.29 -0.01 -1.26 -3.89 135.00 136.44 1azu n PRO 40 Ca 0.04 -0.21 -0.05 0.00 -0.01 0.00 0.00 63.50 63.27 1azu n PRO 40 Cb 0.46 -1.11 0.14 0.00 -0.01 0.00 0.00 33.50 32.98 1azu n PRO 40 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 1azu n LYS 41 N 1.69 2.26 0.00 -0.52 0.00 -1.26 -0.99 118.16 119.34 1azu n LYS 41 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 58.31 56.79 1azu n LYS 41 Cb 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1azu n LYS 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1azu n ASN 42 N -0.02 0.01 -0.01 3.14 0.23 -1.26 -4.49 115.26 112.86 1azu n ASN 42 Ca 0.22 -0.33 -0.01 0.00 -0.53 0.00 0.00 54.58 53.94 1azu n ASN 42 Cb 0.92 0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 39.24 1azu n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1azu n VAL 43 N -0.63 0.11 -2.89 3.53 0.31 -1.20 -4.92 118.33 112.63 1azu n VAL 43 Ca 0.00 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1azu n VAL 43 Cb 0.00 -0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1azu n VAL 43 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1azu n MET 44 N -2.03 0.58 -3.27 5.55 2.81 -0.16 -4.93 117.12 115.66 1azu n MET 44 Ca -0.03 -2.22 -0.21 0.00 -1.81 0.00 0.00 57.70 53.43 1azu n MET 44 Cb 0.52 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1azu n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1azu s GLY 45 N -0.27 1.58 -0.03 3.03 0.00 -1.25 -4.54 107.32 105.84 1azu s GLY 45 Ca 0.32 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1azu s GLY 45 CO -0.14 -1.18 -0.05 0.30 0.00 0.00 0.00 173.10 172.03 1azu s HIS 46 N -2.33 0.67 0.14 1.90 3.76 -0.83 -4.78 115.29 113.82 1azu s HIS 46 Ca 0.46 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1azu s HIS 46 Cb -0.10 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1azu s HIS 46 CO 0.34 -0.11 0.27 -0.80 -0.85 0.00 0.00 174.74 173.59 1azu s ASN 47 N 0.47 6.34 -0.58 1.40 0.01 -1.26 -2.35 114.94 118.96 1azu s ASN 47 Ca -0.06 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.32 1azu s ASN 47 Cb -0.10 -1.92 0.16 0.00 0.41 0.00 0.00 41.25 39.80 1azu s ASN 47 CO 0.00 0.07 0.38 0.86 -1.51 0.00 0.00 177.10 176.90 1azu s TRP 48 N -1.71 2.88 0.09 2.20 -0.00 -1.25 -3.96 118.94 117.19 1azu s TRP 48 Ca 0.35 -3.01 0.02 0.00 -0.00 0.00 0.00 56.10 53.46 1azu s TRP 48 Cb -0.11 -2.34 -0.04 0.00 -0.00 0.00 0.00 33.47 30.97 1azu s TRP 48 CO 0.28 -0.66 0.12 0.54 -0.00 0.00 0.00 176.95 177.23 1azu s VAL 49 N -0.70 4.76 0.08 5.86 0.11 0.18 -3.61 120.40 127.08 1azu s VAL 49 Ca 0.23 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1azu s VAL 49 Cb -0.11 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1azu s VAL 49 CO -0.11 0.10 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.44 1azu s LEU 50 N -2.52 3.04 0.00 2.54 0.20 0.14 -0.21 118.68 121.87 1azu s LEU 50 Ca 0.31 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.79 1azu s LEU 50 Cb -0.12 -1.82 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1azu s LEU 50 CO 0.24 0.20 0.00 -0.24 -0.29 0.00 0.00 176.35 176.26 1azu n SER 51 N 0.93 0.00 -4.63 3.68 2.88 -0.74 -3.35 113.62 112.39 1azu n SER 51 Ca -0.14 -0.74 -0.28 0.00 -1.33 0.00 0.00 58.87 56.39 1azu n SER 51 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1azu n SER 51 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1azu s THR 52 N -2.43 3.56 -1.12 2.46 -4.23 -1.26 -1.46 115.64 111.15 1azu s THR 52 Ca 0.00 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1azu s THR 52 Cb 0.00 -2.74 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 1azu s THR 52 CO 0.00 -0.03 2.31 0.00 -0.54 0.00 0.00 174.62 176.35 1azu n ALA 53 N 0.19 5.29 -0.69 3.99 0.00 -1.19 0.01 120.51 128.10 1azu n ALA 53 Ca -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1azu n ALA 53 Cb 0.54 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.77 1azu n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1azu n ALA 54 N 4.66 0.00 0.00 0.00 0.00 -1.26 -4.96 120.51 118.95 1azu n ALA 54 Ca 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.98 1azu n ALA 54 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 1azu n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1azu n ASP 55 N 0.00 0.15 0.00 0.00 8.00 0.10 -4.78 116.55 120.02 1azu n ASP 55 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1azu n ASP 55 Cb 0.04 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1azu n ASP 55 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1azu n MET 56 N -3.07 0.00 0.30 -1.24 2.81 -1.13 0.12 117.12 114.90 1azu n MET 56 Ca -0.01 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.03 1azu n MET 56 Cb 0.46 0.00 0.77 0.00 -0.71 0.00 0.00 33.22 33.74 1azu n MET 56 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1azu h GLN 57 N 0.00 0.00 0.00 0.03 -0.00 -1.91 0.45 115.11 113.68 1azu h GLN 57 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1azu h GLN 57 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.48 1azu h GLN 57 CO 0.00 0.00 -0.02 0.78 0.00 0.00 0.00 178.83 179.59 1azu h GLY 58 N 0.00 0.00 0.43 2.39 0.00 0.59 -2.96 103.07 103.51 1azu h GLY 58 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1azu h GLY 58 CO -0.00 0.00 -0.07 -0.24 0.00 0.00 0.00 176.54 176.23 1azu h VAL 59 N -1.00 0.96 0.00 4.60 3.04 -0.96 0.22 116.25 123.12 1azu h VAL 59 Ca -0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1azu h VAL 59 Cb 0.34 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1azu h VAL 59 CO -0.00 0.23 0.00 1.33 -1.01 0.00 0.00 177.57 178.12 1azu n VAL 60 N -4.93 0.00 -0.15 1.51 0.24 0.13 0.11 118.33 115.24 1azu n VAL 60 Ca -0.08 1.13 -0.06 0.00 -2.04 0.00 0.00 64.34 63.29 1azu n VAL 60 Cb 0.27 -1.78 -0.05 0.00 -1.47 0.00 0.00 33.84 30.81 1azu n VAL 60 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1azu h THR 61 N 0.00 0.00 -0.62 3.34 2.02 -1.50 0.25 112.91 116.41 1azu h THR 61 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1azu h THR 61 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1azu h THR 61 CO 0.00 0.00 0.36 0.44 0.37 0.00 0.00 175.52 176.69 1azu h ASP 62 N -0.06 0.74 0.93 4.18 3.45 -0.59 0.66 116.42 125.73 1azu h ASP 62 Ca 0.06 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1azu h ASP 62 Cb 0.22 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1azu h ASP 62 CO -0.39 0.58 0.00 1.23 -1.57 0.00 0.00 179.24 179.09 1azu h GLY 63 N 0.89 0.00 0.97 2.75 0.00 0.70 -1.90 103.07 106.49 1azu h GLY 63 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 1azu h GLY 63 CO -0.04 0.00 -1.25 1.03 0.00 0.00 0.00 176.54 176.28 1azu n MET 64 N -2.67 0.61 0.13 4.80 2.81 0.21 -3.87 117.12 119.14 1azu n MET 64 Ca 0.02 0.17 -0.14 0.00 -1.81 0.00 0.00 57.70 55.94 1azu n MET 64 Cb 0.28 -1.81 -0.07 0.00 -0.71 0.00 0.00 33.22 30.91 1azu n MET 64 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1azu h ALA 65 N 1.68 -0.66 -0.95 3.04 0.00 -0.45 -2.75 119.26 119.17 1azu h ALA 65 Ca -0.09 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 54.94 1azu h ALA 65 Cb 1.33 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 19.54 1azu h ALA 65 CO 0.03 -0.93 -0.25 0.66 0.00 0.00 0.00 179.25 178.75 1azu h SER 66 N -0.62 -0.93 0.00 0.00 4.64 -1.47 -3.47 113.55 111.70 1azu h SER 66 Ca 0.02 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1azu h SER 66 Cb 0.64 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1azu h SER 66 CO -0.20 -0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.06 1azu n GLY 67 N -1.59 -1.91 0.00 -0.77 0.00 -1.04 -4.44 105.19 95.44 1azu n GLY 67 Ca 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1azu n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1azu n LEU 68 N 0.00 1.00 -0.27 0.99 7.94 -1.26 -1.03 117.00 124.38 1azu n LEU 68 Ca 0.00 0.41 0.18 0.00 -1.11 0.00 0.00 56.01 55.49 1azu n LEU 68 Cb 0.00 -0.26 0.34 0.00 0.53 0.00 0.00 43.42 44.03 1azu n LEU 68 CO 0.00 -0.26 0.73 -0.67 -1.11 0.00 0.00 177.39 176.08 1azu n ASP 69 N -1.28 0.07 0.28 1.96 4.64 -1.26 0.30 116.55 121.26 1azu n ASP 69 Ca 0.00 1.35 0.13 0.00 -1.38 0.00 0.00 54.79 54.89 1azu n ASP 69 Cb 0.00 -0.56 0.80 0.00 -1.04 0.00 0.00 41.12 40.32 1azu n ASP 69 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1azu h LYS 70 N 0.00 0.00 0.00 -0.67 6.56 -1.78 -3.46 116.57 117.23 1azu h LYS 70 Ca 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.16 1azu h LYS 70 Cb 1.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 1azu h LYS 70 CO -0.69 0.06 0.00 -3.47 -2.06 0.00 0.00 179.45 173.29 1azu n ASP 71 N -3.80 0.00 -0.44 0.86 -0.08 0.15 -4.52 116.55 108.72 1azu n ASP 71 Ca -0.02 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.24 1azu n ASP 71 Cb 0.16 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.61 1azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1azu n TYR 72 N -0.12 -0.34 -3.71 -0.67 4.01 -0.20 -4.75 117.16 111.38 1azu n TYR 72 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1azu n TYR 72 Cb 0.00 -0.99 -0.17 0.00 -0.31 0.00 0.00 39.34 37.87 1azu n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1azu s LEU 73 N -0.97 0.69 0.00 7.72 2.96 -1.25 -4.15 118.68 123.68 1azu s LEU 73 Ca 0.00 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 1azu s LEU 73 Cb 0.00 -0.42 0.14 0.00 0.50 0.00 0.00 46.19 46.42 1azu s LEU 73 CO 0.00 -0.27 0.33 2.29 -1.32 0.00 0.00 176.35 177.37 1azu n LYS 74 N 5.16 -1.32 -3.15 1.98 2.85 -1.26 -4.89 118.16 117.53 1azu n LYS 74 Ca -0.07 -0.55 -0.35 0.00 -1.05 0.00 0.00 58.31 56.29 1azu n LYS 74 Cb 0.49 -1.02 -0.06 0.00 -0.65 0.00 0.00 35.03 33.79 1azu n LYS 74 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1azu s PRO 75 N -3.04 4.13 0.00 -1.58 0.02 -1.26 -4.50 135.00 128.77 1azu s PRO 75 Ca 0.25 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1azu s PRO 75 Cb -0.04 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1azu s PRO 75 CO 0.21 0.33 0.00 -3.47 -0.33 0.00 0.00 177.00 173.74 1azu n ASP 76 N 0.39 0.00 0.00 2.53 4.64 -1.26 -4.89 116.55 117.96 1azu n ASP 76 Ca -0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 1azu n ASP 76 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 1azu n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1azu n ASP 77 N 1.75 0.00 -4.04 1.67 -0.08 -1.26 -4.79 116.55 109.79 1azu n ASP 77 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1azu n ASP 77 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1azu n ASP 77 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1azu n SER 78 N 0.00 5.84 0.00 1.67 7.64 -1.26 -2.69 113.62 124.82 1azu n SER 78 Ca 0.00 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1azu n SER 78 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1azu n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1azu n ARG 79 N 2.55 0.00 -4.40 1.43 1.74 -1.26 -5.08 116.66 111.64 1azu n ARG 79 Ca 0.30 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.19 1azu n ARG 79 Cb 0.36 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.65 1azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1azu s VAL 80 N 0.00 0.80 0.00 1.55 1.01 -1.10 -4.36 120.40 118.31 1azu s VAL 80 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1azu s VAL 80 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1azu s VAL 80 CO 0.00 0.19 0.00 -0.38 0.00 0.00 0.00 175.10 174.91 1azu n ILE 81 N 2.72 0.00 -3.45 2.22 5.41 -1.21 -5.00 119.36 120.05 1azu n ILE 81 Ca -0.14 -0.14 0.01 0.00 1.00 0.00 0.00 62.75 63.48 1azu n ILE 81 Cb 0.56 0.61 -0.05 0.00 -0.71 0.00 0.00 39.64 40.05 1azu n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1azu s ALA 82 N -1.14 -2.72 -0.01 -1.39 0.00 -1.26 -4.95 121.76 110.28 1azu s ALA 82 Ca 0.00 2.03 0.03 0.00 0.00 0.00 0.00 51.96 54.02 1azu s ALA 82 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 1azu s ALA 82 CO 0.00 -0.74 -0.11 -3.38 0.00 0.00 0.00 175.76 171.54 1azu s HIS 83 N 1.93 0.99 0.00 0.00 -3.43 -1.26 0.27 115.29 113.80 1azu s HIS 83 Ca -0.04 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 1azu s HIS 83 Cb -0.04 -0.65 0.00 0.00 -1.43 0.00 0.00 32.58 30.46 1azu s HIS 83 CO -0.16 -0.04 0.00 0.25 -2.00 0.00 0.00 174.74 172.79 1azu n THR 84 N 2.94 0.00 -4.17 -5.38 -2.24 -1.24 -4.89 114.28 99.30 1azu n THR 84 Ca -0.15 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1azu n THR 84 Cb 0.56 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1azu n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1azu s LYS 85 N 2.77 1.65 -0.42 -0.78 0.00 -1.26 -4.85 119.74 116.84 1azu s LYS 85 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 55.97 53.92 1azu s LYS 85 Cb 0.00 0.36 0.02 0.00 0.00 0.00 0.00 37.83 38.22 1azu s LYS 85 CO 0.00 -0.63 1.16 -1.17 0.00 0.00 0.00 175.35 174.71 1azu s LEU 86 N -3.24 3.72 0.53 2.77 2.96 -1.26 -4.35 118.68 119.81 1azu s LEU 86 Ca 0.35 0.70 0.09 0.00 -0.22 0.00 0.00 54.13 55.05 1azu s LEU 86 Cb 0.02 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.23 1azu s LEU 86 CO 0.20 -1.17 0.71 0.27 -1.32 0.00 0.00 176.35 175.04 1azu s ILE 87 N 4.34 2.37 0.28 6.68 -4.36 -0.99 -4.90 121.20 124.62 1azu s ILE 87 Ca 0.49 -1.02 -0.13 0.00 -0.26 0.00 0.00 60.65 59.72 1azu s ILE 87 Cb -0.10 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.23 1azu s ILE 87 CO 0.27 0.00 0.56 -0.83 0.24 0.00 0.00 174.94 175.18 1azu s GLY 88 N -4.56 0.53 0.00 6.27 0.00 -1.26 -1.97 107.32 106.33 1azu s GLY 88 Ca 0.59 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1azu s GLY 88 CO 0.37 -0.54 0.00 1.44 0.00 0.00 0.00 173.10 174.37 1azu n SER 89 N -0.67 0.00 0.00 1.64 7.64 -1.25 -0.02 113.62 120.96 1azu n SER 89 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1azu n SER 89 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1azu n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1azu n GLY 90 N 0.00 2.77 3.96 0.23 0.00 0.20 -4.99 105.19 107.36 1azu n GLY 90 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1azu s GLU 91 N -0.97 1.54 0.04 1.61 2.02 0.97 -4.90 118.70 119.00 1azu s GLU 91 Ca 0.00 -0.73 -0.16 0.00 0.02 0.00 0.00 54.97 54.10 1azu s GLU 91 Cb 0.00 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1azu s GLU 91 CO 0.00 -1.63 0.35 0.15 0.02 0.00 0.00 175.26 174.15 1azu s LYS 92 N -5.35 0.84 0.34 1.61 3.01 -1.26 -2.52 119.74 116.41 1azu s LYS 92 Ca 0.67 -0.41 -0.16 0.00 -1.01 0.00 0.00 55.97 55.06 1azu s LYS 92 Cb -0.06 0.37 0.03 0.00 -1.01 0.00 0.00 37.83 37.16 1azu s LYS 92 CO 0.46 -0.27 0.71 0.34 0.51 0.00 0.00 175.35 177.10 1azu s ASP 93 N -1.94 0.01 -0.00 2.83 2.15 -0.79 -4.96 116.67 113.96 1azu s ASP 93 Ca -0.06 -0.99 -0.18 0.00 0.43 0.00 0.00 52.55 51.75 1azu s ASP 93 Cb -0.01 0.77 0.03 0.00 -0.30 0.00 0.00 42.92 43.41 1azu s ASP 93 CO -0.02 -1.49 0.39 -0.44 -0.17 0.00 0.00 175.17 173.43 1azu s SER 94 N -3.04 -0.27 -0.11 -0.34 0.01 -1.26 0.09 113.70 108.78 1azu s SER 94 Ca 0.16 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.57 1azu s SER 94 Cb -0.04 0.38 0.01 0.00 0.21 0.00 0.00 66.02 66.57 1azu s SER 94 CO 0.11 -0.54 -0.15 -0.69 0.41 0.00 0.00 173.24 172.38 1azu s VAL 95 N -1.70 1.47 -0.57 3.43 1.01 0.29 -4.91 120.40 119.42 1azu s VAL 95 Ca -0.10 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1azu s VAL 95 Cb -0.03 -1.35 0.15 0.00 0.00 0.00 0.00 36.38 35.16 1azu s VAL 95 CO 0.03 0.44 0.36 -0.89 0.00 0.00 0.00 175.10 175.03 1azu s THR 96 N 0.97 2.29 0.35 3.92 2.01 -1.26 -1.77 115.64 122.15 1azu s THR 96 Ca -0.07 -3.51 0.07 0.00 0.31 0.00 0.00 61.69 58.49 1azu s THR 96 Cb -0.15 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1azu s THR 96 CO -0.01 -0.94 0.49 0.72 -0.69 0.00 0.00 174.62 174.19 1azu s PHE 97 N -0.61 3.08 0.92 4.92 -0.12 -0.10 -4.88 117.98 121.19 1azu s PHE 97 Ca 0.22 -0.23 -0.12 0.00 -0.05 0.00 0.00 56.93 56.74 1azu s PHE 97 Cb -0.14 -2.05 0.14 0.00 -0.63 0.00 0.00 43.02 40.34 1azu s PHE 97 CO -0.08 -0.07 1.09 0.34 -0.05 0.00 0.00 175.22 176.45 1azu s ASP 98 N -4.20 3.28 -0.04 1.98 -1.08 -1.26 0.58 116.67 115.93 1azu s ASP 98 Ca 0.46 1.35 0.06 0.00 -0.52 0.00 0.00 52.55 53.91 1azu s ASP 98 Cb -0.10 -2.03 0.10 0.00 -1.46 0.00 0.00 42.92 39.43 1azu s ASP 98 CO 0.31 -2.74 0.98 0.55 0.52 0.00 0.00 175.17 174.79 1azu n VAL 99 N -3.94 1.03 -0.04 1.11 3.14 -1.23 -4.56 118.33 113.85 1azu n VAL 99 Ca 0.06 -1.16 -0.16 0.00 -2.96 0.00 0.00 64.34 60.12 1azu n VAL 99 Cb 0.56 0.33 -0.13 0.00 -1.06 0.00 0.00 33.84 33.53 1azu n VAL 99 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1azu h SER 100 N 0.00 0.13 0.00 6.55 4.64 -1.94 -3.35 113.55 119.57 1azu h SER 100 Ca 0.00 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 1azu h SER 100 Cb 0.84 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1azu h SER 100 CO 0.00 1.14 0.30 0.11 -0.87 0.00 0.00 176.83 177.52 1azu h LYS 101 N -0.82 0.00 -5.38 4.77 1.57 -1.99 -3.39 116.57 111.33 1azu h LYS 101 Ca -0.06 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.08 1azu h LYS 101 Cb 1.20 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.19 1azu h LYS 101 CO 0.03 0.00 -0.87 -0.51 -0.57 0.00 0.00 179.45 177.54 1azu s LEU 102 N -4.28 1.99 0.00 2.94 1.02 -1.26 -5.07 118.68 114.03 1azu s LEU 102 Ca -0.02 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.65 1azu s LEU 102 Cb 0.04 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 45.00 1azu s LEU 102 CO 0.13 0.16 0.00 0.29 0.02 0.00 0.00 176.35 176.96 1azu n LYS 103 N 3.37 2.18 -3.98 1.70 5.02 -1.26 -4.98 118.16 120.20 1azu n LYS 103 Ca -0.19 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.90 1azu n LYS 103 Cb 0.53 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.37 1azu n LYS 103 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1azu s GLU 104 N 1.57 0.61 0.00 1.97 -1.05 -1.26 -4.71 118.70 115.83 1azu s GLU 104 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 1azu s GLU 104 Cb 0.00 -0.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.91 1azu s GLU 104 CO 0.00 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.46 1azu n GLY 105 N 4.40 1.33 3.48 -3.83 0.00 -1.26 -5.09 105.19 104.21 1azu n GLY 105 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1azu s GLU 106 N -0.05 1.68 -0.09 1.61 2.12 -1.26 -5.14 118.70 117.57 1azu s GLU 106 Ca 0.00 -1.81 0.02 0.00 0.36 0.00 0.00 54.97 53.54 1azu s GLU 106 Cb 0.00 -1.63 0.01 0.00 0.26 0.00 0.00 34.13 32.78 1azu s GLU 106 CO 0.00 0.23 -0.14 -0.65 -0.54 0.00 0.00 175.26 174.16 1azu s GLN 107 N -3.58 1.97 -0.03 4.30 -0.21 -1.26 -4.82 119.66 116.03 1azu s GLN 107 Ca 0.30 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 55.24 1azu s GLN 107 Cb -0.01 -1.67 -0.00 0.00 1.00 0.00 0.00 33.01 32.32 1azu s GLN 107 CO 0.14 -0.03 -0.16 0.71 -2.12 0.00 0.00 175.29 173.83 1azu s TYR 108 N 0.89 1.58 0.14 0.91 2.02 -1.22 -3.19 117.35 118.48 1azu s TYR 108 Ca -0.09 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.28 1azu s TYR 108 Cb -0.15 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1azu s TYR 108 CO 0.01 -0.13 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.09 1azu s MET 109 N -0.04 1.95 0.42 -0.62 -1.94 -0.54 0.88 119.30 119.42 1azu s MET 109 Ca -0.01 -1.20 0.06 0.00 -1.71 0.00 0.00 55.69 52.83 1azu s MET 109 Cb -0.10 -2.16 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 1azu s MET 109 CO 0.01 0.46 0.02 -0.59 -0.01 0.00 0.00 175.02 174.92 1azu s PHE 110 N -1.40 2.44 0.01 -0.03 -0.71 -1.14 -1.79 117.98 115.36 1azu s PHE 110 Ca 0.21 -0.70 -0.28 0.00 -1.04 0.00 0.00 56.93 55.13 1azu s PHE 110 Cb -0.10 -1.77 0.09 0.00 -1.21 0.00 0.00 43.02 40.03 1azu s PHE 110 CO 0.13 0.40 1.25 -0.59 -1.34 0.00 0.00 175.22 175.07 1azu s PHE 111 N -2.72 0.03 -0.13 3.49 -0.71 0.71 -2.54 117.98 116.12 1azu s PHE 111 Ca 0.32 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 56.03 1azu s PHE 111 Cb 0.08 0.58 0.02 0.00 -1.21 0.00 0.00 43.02 42.49 1azu s PHE 111 CO 0.16 -0.36 -0.15 0.00 -1.34 0.00 0.00 175.22 173.54 1azu n THR 113 N 4.50 0.07 -1.88 0.00 -2.24 -1.26 -3.34 114.28 110.13 1azu n THR 113 Ca -0.18 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1azu n THR 113 Cb 0.51 -0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1azu s PHE 114 N -1.93 2.31 0.00 4.78 5.36 -1.26 -4.64 117.98 122.60 1azu s PHE 114 Ca 0.31 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1azu s PHE 114 Cb 0.15 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 1azu s PHE 114 CO 0.24 -2.59 0.00 -2.30 -1.46 0.00 0.00 175.22 169.11 1azu n PRO 115 N -1.38 0.00 0.00 10.12 -0.02 -1.26 -1.99 135.00 140.47 1azu n PRO 115 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1azu n PRO 115 Cb 0.47 -0.61 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 1azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azu n GLY 116 N 1.62 0.73 1.32 -1.23 0.00 -1.26 -4.97 105.19 101.39 1azu n GLY 116 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1azu n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1azu n HIS 117 N 0.00 1.23 0.37 1.61 8.25 -0.84 -4.05 115.22 121.79 1azu n HIS 117 Ca 0.00 -0.44 0.07 0.00 -0.26 0.00 0.00 57.72 57.09 1azu n HIS 117 Cb 0.00 -0.32 0.22 0.00 1.12 0.00 0.00 29.99 31.01 1azu n HIS 117 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1azu n SER 118 N 0.46 2.81 -0.13 0.41 7.64 -1.21 -2.56 113.62 121.03 1azu n SER 118 Ca 0.17 -2.12 -0.27 0.00 1.01 0.00 0.00 58.87 57.67 1azu n SER 118 Cb 0.79 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 1azu n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1azu n ALA 119 N 0.78 1.12 0.06 -0.43 0.00 -1.26 -4.53 120.51 116.25 1azu n ALA 119 Ca 0.16 -1.01 0.05 0.00 0.00 0.00 0.00 53.44 52.64 1azu n ALA 119 Cb 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1azu n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1azu n LEU 120 N -4.29 0.77 -4.21 0.00 4.77 -1.26 -4.56 117.00 108.20 1azu n LEU 120 Ca -0.48 0.32 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 1azu n LEU 120 Cb 0.82 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 1azu n LEU 120 CO 0.06 0.00 0.58 0.23 -1.33 0.00 0.00 177.39 176.94 1azu n MET 121 N -2.75 3.13 -4.04 3.23 2.81 -1.06 -4.63 117.12 113.82 1azu n MET 121 Ca -0.06 -4.47 -0.08 0.00 -1.81 0.00 0.00 57.70 51.28 1azu n MET 121 Cb 0.70 -2.48 -0.10 0.00 -0.71 0.00 0.00 33.22 30.64 1azu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1azu s LYS 122 N -1.39 0.62 0.00 0.03 0.00 -1.26 -3.80 119.74 113.94 1azu s LYS 122 Ca 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 55.97 55.17 1azu s LYS 122 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 37.83 37.97 1azu s LYS 122 CO -0.10 -0.13 0.00 0.41 0.00 0.00 0.00 175.35 175.53 1azu n GLY 123 N 0.26 2.65 3.14 0.59 0.00 -1.05 -4.72 105.19 106.07 1azu n GLY 123 Ca -0.15 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1azu n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1azu s THR 124 N -2.74 0.78 -0.24 2.61 -4.23 -1.25 -2.87 115.64 107.71 1azu s THR 124 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1azu s THR 124 Cb 0.00 -1.20 0.06 0.00 1.34 0.00 0.00 72.50 72.71 1azu s THR 124 CO 0.00 -0.56 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.28 1azu s LEU 125 N -2.28 2.45 0.31 4.79 1.98 0.25 0.53 118.68 126.71 1azu s LEU 125 Ca 0.02 -1.21 0.08 0.00 -2.89 0.00 0.00 54.13 50.13 1azu s LEU 125 Cb -0.04 -1.09 -0.04 0.00 0.66 0.00 0.00 46.19 45.68 1azu s LEU 125 CO -0.01 -0.27 0.18 0.42 -1.89 0.00 0.00 176.35 174.79 1azu s THR 126 N 1.45 3.59 -0.06 3.68 -4.23 0.45 -3.39 115.64 117.13 1azu s THR 126 Ca -0.03 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1azu s THR 126 Cb -0.18 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1azu s THR 126 CO -0.08 -0.25 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.38 1azu s LEU 127 N -3.87 1.80 0.00 4.79 0.20 -1.26 -2.61 118.68 117.73 1azu s LEU 127 Ca 0.37 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.84 1azu s LEU 127 Cb -0.05 -0.94 0.00 0.00 -0.43 0.00 0.00 46.19 44.77 1azu s LEU 127 CO 0.24 0.09 0.00 0.29 -0.29 0.00 0.00 176.35 176.68