#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azb n GLN 2 N 0.00 0.00 -0.75 0.00 0.00 -1.26 -4.25 117.38 111.12 1azb n GLN 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.91 1azb n GLN 2 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 30.24 29.36 1azb n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1azb s GLU 4 N -0.64 0.80 -0.09 0.00 2.02 -1.26 -0.65 118.70 118.88 1azb s GLU 4 Ca 0.22 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 1azb s GLU 4 Cb 0.14 0.32 0.05 0.00 0.10 0.00 0.00 34.13 34.74 1azb s GLU 4 CO -0.02 -0.24 0.53 0.00 0.02 0.00 0.00 175.26 175.55 1azb s ALA 5 N -3.74 -1.35 -0.15 5.21 0.00 -0.28 -4.94 121.76 116.50 1azb s ALA 5 Ca 0.04 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1azb s ALA 5 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1azb s ALA 5 CO -0.10 -0.30 -0.08 0.99 0.00 0.00 0.00 175.76 176.26 1azb s THR 6 N -0.73 3.41 0.00 0.00 2.01 -1.26 0.37 115.64 119.44 1azb s THR 6 Ca -0.08 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1azb s THR 6 Cb -0.03 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1azb s THR 6 CO 0.05 0.50 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.80 1azb s ILE 7 N 0.51 1.35 -0.05 1.82 2.07 0.51 -4.94 121.20 122.47 1azb s ILE 7 Ca -0.06 -0.83 -0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1azb s ILE 7 Cb -0.15 -1.14 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 1azb s ILE 7 CO 0.03 0.30 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.74 1azb s GLU 8 N -0.62 2.87 0.08 3.50 2.02 -1.26 -1.11 118.70 124.18 1azb s GLU 8 Ca 0.06 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.63 1azb s GLU 8 Cb -0.07 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1azb s GLU 8 CO 0.00 0.67 -0.23 -1.54 0.02 0.00 0.00 175.26 174.18 1azb s SER 9 N -1.16 2.76 0.02 -0.19 1.04 -0.09 -1.01 113.70 115.07 1azb s SER 9 Ca 0.16 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1azb s SER 9 Cb -0.11 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1azb s SER 9 CO 0.06 0.14 0.01 -0.46 0.98 0.00 0.00 173.24 173.97 1azb n ASN 10 N 1.39 0.26 0.00 7.02 0.23 -1.01 -0.81 115.26 122.34 1azb n ASN 10 Ca -0.18 -1.10 0.15 0.00 -0.53 0.00 0.00 54.58 52.92 1azb n ASN 10 Cb 0.53 0.07 0.81 0.00 -2.08 0.00 0.00 39.78 39.10 1azb n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1azb n ASP 11 N -2.68 0.00 -0.96 0.53 8.00 -1.26 -2.77 116.55 117.41 1azb n ASP 11 Ca 0.00 -0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.15 1azb n ASP 11 Cb 0.03 -0.17 0.25 0.00 -0.02 0.00 0.00 41.12 41.20 1azb n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azb n ALA 12 N -1.17 2.46 -3.04 2.24 0.00 -1.26 -4.96 120.51 114.77 1azb n ALA 12 Ca 0.18 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 1azb n ALA 12 Cb 0.18 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 18.77 1azb n ALA 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1azb n MET 13 N 1.16 -4.78 -4.13 0.00 1.56 -1.11 -5.03 117.12 104.78 1azb n MET 13 Ca 0.18 0.59 -0.10 0.00 -0.27 0.00 0.00 57.70 58.10 1azb n MET 13 Cb 0.53 -4.84 -0.10 0.00 2.15 0.00 0.00 33.22 30.96 1azb n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1azb s GLN 14 N -5.13 0.72 0.25 2.12 -0.21 -1.26 -4.46 119.66 111.69 1azb s GLN 14 Ca 0.08 -1.19 0.06 0.00 0.02 0.00 0.00 55.36 54.32 1azb s GLN 14 Cb -0.03 -0.11 -0.03 0.00 1.00 0.00 0.00 33.01 33.84 1azb s GLN 14 CO 0.51 -0.03 0.29 0.71 -2.12 0.00 0.00 175.29 174.64 1azb s TYR 15 N -3.28 3.27 -1.48 0.91 2.02 -1.26 -2.40 117.35 115.14 1azb s TYR 15 Ca 0.06 -0.07 0.24 0.00 -0.37 0.00 0.00 57.07 56.93 1azb s TYR 15 Cb 0.03 -1.51 0.22 0.00 -0.40 0.00 0.00 41.96 40.29 1azb s TYR 15 CO -0.05 0.46 1.22 0.27 -1.57 0.00 0.00 175.55 175.87 1azb n ASN 16 N -1.31 1.20 -4.26 2.29 6.94 -0.18 -4.87 115.26 115.07 1azb n ASN 16 Ca -0.08 -0.97 -0.31 0.00 -0.02 0.00 0.00 54.58 53.20 1azb n ASN 16 Cb 0.57 0.49 -0.17 0.00 -2.36 0.00 0.00 39.78 38.32 1azb n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1azb s LEU 17 N -2.73 2.06 -0.01 -4.53 1.43 -1.26 -4.98 118.68 108.66 1azb s LEU 17 Ca 0.15 -0.51 0.21 0.00 -1.03 0.00 0.00 54.13 52.96 1azb s LEU 17 Cb 0.18 -1.36 -0.28 0.00 0.03 0.00 0.00 46.19 44.76 1azb s LEU 17 CO 0.67 0.23 0.72 0.29 0.23 0.00 0.00 176.35 178.49 1azb n LYS 18 N 3.04 0.29 -3.83 1.70 4.76 -1.26 -4.79 118.16 118.06 1azb n LYS 18 Ca -0.18 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.06 1azb n LYS 18 Cb 0.52 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 1azb n LYS 18 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1azb s GLU 19 N -3.22 0.42 -0.00 1.97 -1.05 -1.26 -0.51 118.70 115.05 1azb s GLU 19 Ca 0.01 -0.12 0.03 0.00 -0.15 0.00 0.00 54.97 54.74 1azb s GLU 19 Cb 0.15 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1azb s GLU 19 CO 0.89 -0.09 -0.11 -1.64 0.95 0.00 0.00 175.26 175.26 1azb s MET 20 N -0.83 0.84 -0.11 -4.83 -1.94 -0.38 -4.95 119.30 107.10 1azb s MET 20 Ca -0.09 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1azb s MET 20 Cb -0.05 -0.81 -0.01 0.00 2.01 0.00 0.00 34.83 35.98 1azb s MET 20 CO 0.01 0.22 -0.19 0.08 -0.01 0.00 0.00 175.02 175.13 1azb s VAL 21 N -0.31 2.53 -0.25 -6.03 1.01 -1.26 -1.80 120.40 114.29 1azb s VAL 21 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1azb s VAL 21 Cb -0.04 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1azb s VAL 21 CO -0.00 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.12 1azb s VAL 22 N 0.34 5.35 0.34 2.92 1.01 0.62 -4.95 120.40 126.02 1azb s VAL 22 Ca -0.15 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 1azb s VAL 22 Cb -0.17 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 1azb s VAL 22 CO 0.07 0.32 1.21 -0.62 0.00 0.00 0.00 175.10 176.09 1azb s ASP 23 N 1.20 6.84 0.32 3.32 2.15 -1.26 -1.48 116.67 127.75 1azb s ASP 23 Ca 0.08 2.48 0.22 0.00 0.43 0.00 0.00 52.55 55.76 1azb s ASP 23 Cb -0.14 -2.63 1.17 0.00 -0.30 0.00 0.00 42.92 41.01 1azb s ASP 23 CO 0.06 -0.47 1.67 0.29 -0.17 0.00 0.00 175.17 176.55 1azb n LYS 24 N 0.71 0.15 0.03 4.34 5.02 -0.72 -0.81 118.16 126.88 1azb n LYS 24 Ca 0.01 0.62 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 1azb n LYS 24 Cb 0.44 -1.96 0.54 0.00 -0.02 0.00 0.00 35.03 34.03 1azb n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1azb n SER 25 N -2.26 0.27 -4.74 4.39 3.41 -1.26 -4.86 113.62 108.56 1azb n SER 25 Ca -0.01 0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 58.70 1azb n SER 25 Cb 0.05 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 1azb n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1azb n LYS 27 N 2.55 0.67 -4.88 0.00 3.00 -1.26 -4.74 118.16 113.51 1azb n LYS 27 Ca -0.00 0.13 -0.31 0.00 -0.00 0.00 0.00 58.31 58.12 1azb n LYS 27 Cb 0.49 -1.62 -0.14 0.00 0.00 0.00 0.00 35.03 33.77 1azb n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1azb s GLN 28 N -2.53 2.17 -0.02 1.64 -0.21 -1.26 -0.51 119.66 118.93 1azb s GLN 28 Ca -0.13 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 54.37 1azb s GLN 28 Cb 0.07 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1azb s GLN 28 CO 0.79 0.56 -0.09 0.12 -2.12 0.00 0.00 175.29 174.56 1azb s PHE 29 N -0.80 0.95 -0.11 0.91 5.36 -0.48 -4.69 117.98 119.12 1azb s PHE 29 Ca 0.13 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.89 1azb s PHE 29 Cb -0.10 -0.67 -0.00 0.00 -0.34 0.00 0.00 43.02 41.90 1azb s PHE 29 CO 0.02 -0.09 -0.21 0.99 -1.46 0.00 0.00 175.22 174.47 1azb s THR 30 N 0.16 2.36 -0.16 0.12 2.01 0.18 -0.46 115.64 119.85 1azb s THR 30 Ca -0.03 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1azb s THR 30 Cb -0.08 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1azb s THR 30 CO 0.00 0.55 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 1azb s VAL 31 N 0.32 3.79 -0.33 3.82 1.01 0.38 -1.13 120.40 128.26 1azb s VAL 31 Ca -0.16 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1azb s VAL 31 Cb -0.17 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1azb s VAL 31 CO 0.08 0.49 0.17 -1.00 0.00 0.00 0.00 175.10 174.83 1azb s HIS 32 N 0.48 3.19 -0.18 5.22 3.76 0.16 -1.25 115.29 126.67 1azb s HIS 32 Ca -0.04 -0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 54.12 1azb s HIS 32 Cb -0.14 -2.38 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 1azb s HIS 32 CO 0.03 -0.50 0.16 -1.17 -0.85 0.00 0.00 174.74 172.41 1azb s LEU 33 N 1.60 4.24 -0.03 0.89 2.96 0.13 -0.36 118.68 128.11 1azb s LEU 33 Ca 0.04 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1azb s LEU 33 Cb -0.18 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1azb s LEU 33 CO 0.06 0.20 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.51 1azb s LYS 34 N 0.19 2.23 -0.46 1.98 1.02 -0.27 -0.48 119.74 123.95 1azb s LYS 34 Ca 0.10 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 1azb s LYS 34 Cb -0.12 -2.10 0.10 0.00 -0.52 0.00 0.00 37.83 35.19 1azb s LYS 34 CO -0.00 0.54 0.33 -1.58 -0.92 0.00 0.00 175.35 173.72 1azb s HIS 35 N -0.56 3.34 -2.08 3.18 2.46 -0.07 -0.91 115.29 120.65 1azb s HIS 35 Ca 0.08 -1.51 0.14 0.00 0.47 0.00 0.00 55.06 54.24 1azb s HIS 35 Cb -0.11 -3.25 0.45 0.00 -0.13 0.00 0.00 32.58 29.55 1azb s HIS 35 CO -0.00 -0.90 1.36 1.33 -2.47 0.00 0.00 174.74 174.05 1azb n VAL 36 N 5.00 0.43 -1.82 0.89 0.24 0.01 -1.00 118.33 122.08 1azb n VAL 36 Ca -0.10 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1azb n VAL 36 Cb 0.42 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1azb n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1azb n GLY 37 N 1.12 0.89 0.09 7.63 0.00 -1.26 -4.79 105.19 108.87 1azb n GLY 37 Ca 0.14 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.25 1azb n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1azb n LYS 38 N -0.54 1.44 -3.31 1.61 2.85 -1.26 -2.24 118.16 116.71 1azb n LYS 38 Ca 0.00 -1.43 -0.32 0.00 -1.05 0.00 0.00 58.31 55.51 1azb n LYS 38 Cb 0.00 -0.92 -0.05 0.00 -0.65 0.00 0.00 35.03 33.41 1azb n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1azb s MET 39 N -1.05 3.84 0.64 -1.58 -1.94 -1.26 -4.75 119.30 113.21 1azb s MET 39 Ca 0.07 0.37 -0.16 0.00 -1.71 0.00 0.00 55.69 54.26 1azb s MET 39 Cb 0.06 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.32 1azb s MET 39 CO 0.01 0.25 1.14 0.00 -0.01 0.00 0.00 175.02 176.41 1azb s ALA 40 N -1.90 2.46 0.55 3.03 0.00 -1.26 -1.04 121.76 123.60 1azb s ALA 40 Ca 0.49 0.72 0.21 0.00 0.00 0.00 0.00 51.96 53.39 1azb s ALA 40 Cb -0.11 -3.37 1.48 0.00 0.00 0.00 0.00 23.12 21.12 1azb s ALA 40 CO 0.21 -1.26 2.18 1.57 0.00 0.00 0.00 175.76 178.46 1azb h LYS 41 N 0.32 0.00 0.00 0.00 2.10 -1.86 0.49 116.57 117.63 1azb h LYS 41 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1azb h LYS 41 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1azb h LYS 41 CO 0.54 0.00 0.00 -0.39 -2.00 0.00 0.00 179.45 177.60 1azb h VAL 42 N 0.00 0.00 0.00 0.07 -1.51 -1.95 -0.98 116.25 111.88 1azb h VAL 42 Ca 0.01 -0.70 -0.32 0.00 -1.23 0.00 0.00 66.70 64.46 1azb h VAL 42 Cb 0.04 1.68 -0.06 0.00 -2.13 0.00 0.00 31.29 30.82 1azb h VAL 42 CO -0.00 0.00 -2.21 0.00 -1.23 0.00 0.00 177.57 174.13 1azb n ALA 43 N -2.05 1.56 -2.69 5.19 0.00 -0.39 -4.78 120.51 117.35 1azb n ALA 43 Ca 0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 1azb n ALA 43 Cb 0.40 -0.06 0.07 0.00 0.00 0.00 0.00 19.45 19.86 1azb n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1azb n MET 44 N -2.87 1.22 -1.64 0.00 0.00 0.03 -5.00 117.12 108.86 1azb n MET 44 Ca -0.33 -2.64 -0.31 0.00 -0.00 0.00 0.00 57.70 54.42 1azb n MET 44 Cb 0.99 -0.75 0.04 0.00 0.00 0.00 0.00 33.22 33.51 1azb n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1azb s GLY 45 N -2.38 1.71 0.03 -5.12 0.00 -0.37 -4.76 107.32 96.42 1azb s GLY 45 Ca 0.24 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.06 1azb s GLY 45 CO -0.02 0.40 -0.05 0.30 0.00 0.00 0.00 173.10 173.73 1azb s HIS 46 N -3.01 0.41 0.14 1.90 3.76 -0.59 -4.78 115.29 113.13 1azb s HIS 46 Ca 0.58 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1azb s HIS 46 Cb -0.14 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.28 1azb s HIS 46 CO 0.53 -0.13 0.09 0.27 -0.85 0.00 0.00 174.74 174.66 1azb n ASN 47 N 1.72 0.19 -3.67 1.40 0.23 -1.26 -0.49 115.26 113.38 1azb n ASN 47 Ca -0.22 -1.87 -0.17 0.00 -0.53 0.00 0.00 54.58 51.78 1azb n ASN 47 Cb 0.55 0.58 -0.16 0.00 -2.08 0.00 0.00 39.78 38.67 1azb n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1azb s TRP 48 N -2.40 -0.11 -0.03 -2.53 -0.00 -1.26 -4.32 118.94 108.28 1azb s TRP 48 Ca 0.13 0.50 0.05 0.00 -0.00 0.00 0.00 56.10 56.78 1azb s TRP 48 Cb 0.01 -0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.16 1azb s TRP 48 CO 0.09 -0.24 -0.18 0.08 -0.00 0.00 0.00 176.95 176.71 1azb s VAL 49 N 2.19 1.43 -0.17 5.86 1.01 -0.14 -1.34 120.40 129.24 1azb s VAL 49 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1azb s VAL 49 Cb -0.12 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1azb s VAL 49 CO -0.05 0.41 -0.19 -0.22 0.00 0.00 0.00 175.10 175.05 1azb s LEU 50 N -0.14 2.22 0.19 3.92 2.96 -0.46 -0.70 118.68 126.67 1azb s LEU 50 Ca 0.00 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1azb s LEU 50 Cb -0.10 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1azb s LEU 50 CO 0.01 0.03 0.19 0.42 -1.32 0.00 0.00 176.35 175.68 1azb s THR 51 N 1.11 0.03 0.61 3.68 -4.23 -0.55 0.61 115.64 116.91 1azb s THR 51 Ca 0.00 -1.82 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 1azb s THR 51 Cb -0.14 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1azb s THR 51 CO -0.08 -0.12 1.10 -0.54 -0.54 0.00 0.00 174.62 174.45 1azb s LYS 52 N -4.10 3.08 0.37 3.99 1.02 -1.26 0.16 119.74 123.00 1azb s LYS 52 Ca 0.31 1.41 0.13 0.00 0.02 0.00 0.00 55.97 57.85 1azb s LYS 52 Cb 0.05 -1.99 0.95 0.00 -0.52 0.00 0.00 37.83 36.33 1azb s LYS 52 CO 0.08 -1.03 1.81 1.49 -0.92 0.00 0.00 175.35 176.79 1azb h GLU 53 N 0.48 0.53 -0.13 1.68 4.81 -1.77 -0.35 114.58 119.83 1azb h GLU 53 Ca -0.48 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1azb h GLU 53 Cb 1.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1azb h GLU 53 CO 0.56 0.35 0.02 0.00 -0.73 0.00 0.00 179.01 179.20 1azb h ALA 54 N 1.62 0.12 0.00 2.92 0.00 -1.89 -3.11 119.26 118.93 1azb h ALA 54 Ca 0.53 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1azb h ALA 54 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1azb h ALA 54 CO -0.27 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.29 1azb n ASP 55 N -5.10 0.00 -0.20 0.00 8.00 -0.15 -4.39 116.55 114.71 1azb n ASP 55 Ca -0.04 0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 1azb n ASP 55 Cb 0.07 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.82 1azb n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1azb h LYS 56 N 0.00 -0.08 -0.48 -1.24 3.64 -1.54 -1.69 116.57 115.18 1azb h LYS 56 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1azb h LYS 56 Cb 0.16 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1azb h LYS 56 CO 0.00 -0.05 0.18 1.96 -2.27 0.00 0.00 179.45 179.27 1azb h GLN 57 N -0.08 0.35 -0.20 1.90 4.20 -1.86 -0.44 115.11 118.98 1azb h GLN 57 Ca 0.08 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1azb h GLN 57 Cb 0.29 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1azb h GLN 57 CO -0.51 0.23 -0.01 0.78 -0.67 0.00 0.00 178.83 178.66 1azb h GLY 58 N 0.36 0.39 1.21 3.46 0.00 -1.84 -0.83 103.07 105.82 1azb h GLY 58 Ca 0.23 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1azb h GLY 58 CO -0.22 0.27 -0.14 -2.08 0.00 0.00 0.00 176.54 174.37 1azb h VAL 59 N 0.11 1.27 -0.41 4.60 2.07 -1.14 -1.18 116.25 121.57 1azb h VAL 59 Ca 0.06 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1azb h VAL 59 Cb 0.41 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1azb h VAL 59 CO 0.01 0.44 0.23 0.00 0.02 0.00 0.00 177.57 178.27 1azb h ALA 60 N 1.02 0.51 0.57 1.67 0.00 -0.94 0.03 119.26 122.12 1azb h ALA 60 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1azb h ALA 60 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1azb h ALA 60 CO 0.05 -0.12 -0.28 1.15 0.00 0.00 0.00 179.25 180.06 1azb h THR 61 N 0.46 0.38 -0.38 0.00 2.02 -0.86 -1.08 112.91 113.44 1azb h THR 61 Ca 0.17 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1azb h THR 61 Cb 0.03 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1azb h THR 61 CO -0.09 0.03 0.21 0.44 0.37 0.00 0.00 175.52 176.48 1azb h ASP 62 N -0.92 0.46 -0.08 4.18 5.19 -1.22 -2.31 116.42 121.72 1azb h ASP 62 Ca -0.08 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1azb h ASP 62 Cb 0.64 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 1azb h ASP 62 CO 0.13 0.37 0.03 1.23 -3.12 0.00 0.00 179.24 177.88 1azb h GLY 63 N 0.60 0.13 0.31 2.75 0.00 -0.73 -1.64 103.07 104.49 1azb h GLY 63 Ca 0.14 -0.07 0.15 0.00 0.00 0.00 0.00 47.33 47.55 1azb h GLY 63 CO -0.02 0.07 0.61 1.98 0.00 0.00 0.00 176.54 179.17 1azb h MET 64 N -0.05 0.85 0.00 4.80 1.85 -0.92 0.31 114.93 121.77 1azb h MET 64 Ca 0.03 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1azb h MET 64 Cb 0.19 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1azb h MET 64 CO -0.00 0.56 0.00 0.09 -0.40 0.00 0.00 176.91 177.16 1azb n ASN 65 N -4.70 0.23 0.18 1.39 3.02 -0.89 -3.19 115.26 111.30 1azb n ASN 65 Ca 0.21 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.37 1azb n ASN 65 Cb 0.45 -0.60 0.10 0.00 -0.61 0.00 0.00 39.78 39.12 1azb n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1azb h ALA 66 N 2.59 0.84 0.00 5.41 0.00 0.57 -3.50 119.26 125.16 1azb h ALA 66 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1azb h ALA 66 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1azb h ALA 66 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1azb n GLY 67 N 1.16 -0.06 0.32 0.00 0.00 -1.19 -4.29 105.19 101.14 1azb n GLY 67 Ca 0.03 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.38 1azb n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azb h LEU 68 N 0.00 0.67 -1.93 0.99 5.85 -1.92 -1.29 115.31 117.68 1azb h LEU 68 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1azb h LEU 68 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1azb h LEU 68 CO 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 1azb h ALA 69 N 1.59 1.00 -0.61 1.25 0.00 -2.02 -0.46 119.26 120.01 1azb h ALA 69 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1azb h ALA 69 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1azb h ALA 69 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.25 1azb n GLN 70 N -2.93 3.59 -2.22 0.00 1.13 -0.85 -4.93 117.38 111.18 1azb n GLN 70 Ca -0.01 -2.83 -0.20 0.00 -1.94 0.00 0.00 57.00 52.03 1azb n GLN 70 Cb 0.19 -1.83 -0.03 0.00 0.11 0.00 0.00 30.24 28.68 1azb n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1azb n ASP 71 N 1.02 -5.55 -3.60 1.08 8.00 -0.18 -2.25 116.55 115.07 1azb n ASP 71 Ca 0.25 0.12 -0.26 0.00 0.71 0.00 0.00 54.79 55.60 1azb n ASP 71 Cb 0.85 -4.69 0.04 0.00 -0.02 0.00 0.00 41.12 37.30 1azb n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1azb n TYR 72 N -3.56 -2.42 -3.76 1.24 4.01 -0.55 -4.59 117.16 107.53 1azb n TYR 72 Ca -0.23 0.84 -0.20 0.00 -0.16 0.00 0.00 57.90 58.16 1azb n TYR 72 Cb 0.67 -4.37 -0.17 0.00 -0.31 0.00 0.00 39.34 35.16 1azb n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1azb s VAL 73 N -3.25 0.07 -0.02 -0.72 1.01 -0.95 -4.04 120.40 112.50 1azb s VAL 73 Ca 0.55 0.26 -0.34 0.00 0.00 0.00 0.00 61.98 62.46 1azb s VAL 73 Cb -0.26 -0.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.73 1azb s VAL 73 CO 0.68 0.18 1.81 1.17 0.00 0.00 0.00 175.10 178.95 1azb n LYS 74 N 4.91 2.22 -1.73 2.72 4.81 -1.26 -4.85 118.16 124.99 1azb n LYS 74 Ca -0.11 0.81 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 1azb n LYS 74 Cb 0.50 -2.65 -0.01 0.00 0.02 0.00 0.00 35.03 32.90 1azb n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1azb n ALA 75 N 5.90 1.76 -1.46 3.14 0.00 -1.26 -1.33 120.51 127.25 1azb n ALA 75 Ca 0.21 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.85 1azb n ALA 75 Cb 0.30 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 1azb n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1azb n GLY 76 N 0.81 1.60 3.67 0.00 0.00 -1.26 -4.91 105.19 105.10 1azb n GLY 76 Ca 0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1azb n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1azb n ASP 77 N -0.61 4.10 0.14 1.61 -0.08 -0.44 -4.81 116.55 116.45 1azb n ASP 77 Ca -0.16 0.94 0.13 0.00 -1.51 0.00 0.00 54.79 54.19 1azb n ASP 77 Cb 0.53 -1.53 0.28 0.00 2.34 0.00 0.00 41.12 42.74 1azb n ASP 77 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1azb h THR 78 N 5.21 0.00 0.00 5.18 1.35 -1.91 -2.90 112.91 119.84 1azb h THR 78 Ca -0.48 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1azb h THR 78 Cb 1.23 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1azb h THR 78 CO 0.94 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.75 1azb n ARG 79 N -2.55 0.49 -3.58 4.72 1.74 -1.26 -4.69 116.66 111.53 1azb n ARG 79 Ca 0.05 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 1azb n ARG 79 Cb 0.47 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 1azb n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1azb s VAL 80 N -2.39 5.10 -0.02 1.55 1.01 -1.10 -4.47 120.40 120.08 1azb s VAL 80 Ca 0.28 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1azb s VAL 80 Cb 0.17 -3.56 -0.19 0.00 0.00 0.00 0.00 36.38 32.80 1azb s VAL 80 CO 0.35 0.09 1.25 0.40 0.00 0.00 0.00 175.10 177.19 1azb h ILE 81 N 5.50 1.40 -2.93 2.22 2.04 -0.10 -3.48 117.51 122.16 1azb h ILE 81 Ca -0.33 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1azb h ILE 81 Cb 1.16 2.18 -0.13 0.00 -0.74 0.00 0.00 36.82 39.30 1azb h ILE 81 CO 0.61 0.34 0.18 0.00 0.00 0.00 0.00 178.15 179.27 1azb s ALA 82 N -4.14 -1.55 0.07 1.87 0.00 -1.21 -4.98 121.76 111.83 1azb s ALA 82 Ca -0.16 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1azb s ALA 82 Cb 0.02 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.98 1azb s ALA 82 CO 0.69 -0.71 0.64 -3.38 0.00 0.00 0.00 175.76 173.00 1azb s HIS 83 N -3.45 -0.59 0.67 0.00 -3.43 -1.26 -1.36 115.29 105.87 1azb s HIS 83 Ca -0.00 0.67 0.05 0.00 -0.80 0.00 0.00 55.06 54.97 1azb s HIS 83 Cb -0.01 0.50 0.12 0.00 -1.43 0.00 0.00 32.58 31.76 1azb s HIS 83 CO -0.10 -0.75 0.92 0.25 -2.00 0.00 0.00 174.74 173.07 1azb n THR 84 N 0.17 0.00 -2.03 -5.38 -2.24 -0.45 -4.85 114.28 99.51 1azb n THR 84 Ca -0.18 -1.79 -0.28 0.00 -2.27 0.00 0.00 64.05 59.53 1azb n THR 84 Cb 0.62 -0.70 0.10 0.00 -2.10 0.00 0.00 70.33 68.25 1azb n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1azb s LYS 85 N -4.93 1.76 -0.11 -0.78 1.02 -1.26 -4.66 119.74 110.78 1azb s LYS 85 Ca 0.65 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.25 1azb s LYS 85 Cb -0.04 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1azb s LYS 85 CO 0.42 -1.65 0.74 0.08 -0.92 0.00 0.00 175.35 174.03 1azb s VAL 86 N -3.52 4.99 0.28 3.17 1.01 -1.26 -4.42 120.40 120.65 1azb s VAL 86 Ca 0.64 1.49 0.12 0.00 0.00 0.00 0.00 61.98 64.23 1azb s VAL 86 Cb -0.09 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1azb s VAL 86 CO 0.48 0.17 -0.17 0.27 0.00 0.00 0.00 175.10 175.85 1azb s ILE 87 N 1.32 2.61 0.54 2.22 -4.36 0.36 -4.88 121.20 119.01 1azb s ILE 87 Ca 0.37 -2.34 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 1azb s ILE 87 Cb -0.17 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.20 1azb s ILE 87 CO 0.16 -0.39 0.46 -0.83 0.24 0.00 0.00 174.94 174.58 1azb s GLY 88 N -3.53 2.27 0.29 6.27 0.00 -1.26 -1.55 107.32 109.81 1azb s GLY 88 Ca 0.30 -1.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 1azb s GLY 88 CO 0.16 -1.89 1.25 0.61 0.00 0.00 0.00 173.10 173.22 1azb n GLY 89 N -1.82 0.41 1.67 0.20 0.00 -0.21 -2.13 105.19 103.32 1azb n GLY 89 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1azb n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azb n GLY 90 N 1.32 1.62 3.98 -0.02 0.00 -0.17 -4.83 105.19 107.08 1azb n GLY 90 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1azb n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1azb s GLU 91 N -0.44 2.39 0.14 1.61 2.02 -0.91 -4.94 118.70 118.57 1azb s GLU 91 Ca 0.00 -1.68 -0.18 0.00 0.02 0.00 0.00 54.97 53.13 1azb s GLU 91 Cb 0.00 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1azb s GLU 91 CO 0.00 -0.64 0.47 -1.54 0.02 0.00 0.00 175.26 173.57 1azb s SER 92 N -4.46 -0.35 0.09 -0.19 1.04 -1.26 -0.89 113.70 107.68 1azb s SER 92 Ca 0.52 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 1azb s SER 92 Cb -0.05 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1azb s SER 92 CO 0.32 -0.90 0.32 -0.62 0.98 0.00 0.00 173.24 173.34 1azb s ASP 93 N -2.79 -0.12 0.05 7.02 2.15 0.37 -4.99 116.67 118.37 1azb s ASP 93 Ca 0.03 -0.35 0.02 0.00 0.43 0.00 0.00 52.55 52.68 1azb s ASP 93 Cb 0.01 0.41 -0.03 0.00 -0.30 0.00 0.00 42.92 43.01 1azb s ASP 93 CO -0.12 -0.75 -0.08 -0.44 -0.17 0.00 0.00 175.17 173.61 1azb s SER 94 N -2.59 0.98 -0.00 -0.34 0.01 -1.26 0.19 113.70 110.69 1azb s SER 94 Ca 0.01 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1azb s SER 94 Cb 0.02 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 1azb s SER 94 CO -0.09 -0.22 -0.04 0.54 0.41 0.00 0.00 173.24 173.84 1azb s VAL 95 N -1.61 0.34 -0.08 3.43 0.11 -0.38 -4.93 120.40 117.28 1azb s VAL 95 Ca -0.07 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1azb s VAL 95 Cb -0.08 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1azb s VAL 95 CO 0.00 0.07 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.72 1azb s THR 96 N -0.15 2.15 0.18 5.04 2.01 -1.26 -0.47 115.64 123.14 1azb s THR 96 Ca 0.01 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.04 1azb s THR 96 Cb -0.02 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1azb s THR 96 CO -0.00 0.56 -0.04 0.72 -0.69 0.00 0.00 174.62 175.17 1azb s PHE 97 N 0.09 1.35 -0.19 4.92 -0.71 0.40 -4.94 117.98 118.90 1azb s PHE 97 Ca -0.11 -0.88 -0.23 0.00 -1.04 0.00 0.00 56.93 54.67 1azb s PHE 97 Cb -0.16 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 1azb s PHE 97 CO 0.06 -0.03 0.73 0.34 -1.34 0.00 0.00 175.22 174.98 1azb s ASP 98 N -3.22 6.81 0.57 1.98 -1.08 -1.26 -1.38 116.67 119.09 1azb s ASP 98 Ca 0.22 0.99 0.25 0.00 -0.52 0.00 0.00 52.55 53.49 1azb s ASP 98 Cb 0.05 -2.40 1.60 0.00 -1.46 0.00 0.00 42.92 40.71 1azb s ASP 98 CO 0.04 -0.34 2.18 0.58 0.52 0.00 0.00 175.17 178.15 1azb h VAL 99 N 5.20 0.67 0.00 1.11 2.07 -1.09 -2.07 116.25 122.14 1azb h VAL 99 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1azb h VAL 99 Cb 1.14 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1azb h VAL 99 CO 0.81 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.86 1azb n SER 100 N -4.07 0.39 0.23 0.57 3.41 -1.26 0.01 113.62 112.90 1azb n SER 100 Ca -0.01 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1azb n SER 100 Cb 0.17 -0.73 0.41 0.00 -0.26 0.00 0.00 64.21 63.80 1azb n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1azb h LYS 101 N 0.00 0.00 -6.09 4.33 1.57 -1.75 -3.44 116.57 111.19 1azb h LYS 101 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1azb h LYS 101 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1azb h LYS 101 CO 0.00 0.10 -0.32 -0.51 -0.57 0.00 0.00 179.45 178.16 1azb s LEU 102 N -6.36 4.31 -0.11 2.94 1.43 0.10 -5.09 118.68 115.91 1azb s LEU 102 Ca 0.03 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1azb s LEU 102 Cb 0.08 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1azb s LEU 102 CO 0.62 0.13 -0.11 0.42 0.23 0.00 0.00 176.35 177.64 1azb s THR 103 N -1.51 3.26 0.48 5.49 -4.23 -1.26 -5.03 115.64 112.84 1azb s THR 103 Ca 0.36 -0.61 -0.21 0.00 -1.18 0.00 0.00 61.69 60.05 1azb s THR 103 Cb -0.13 -2.35 -0.10 0.00 1.34 0.00 0.00 72.50 71.26 1azb s THR 103 CO 0.21 0.54 0.78 -2.65 -0.54 0.00 0.00 174.62 172.97 1azb n PRO 104 N 3.08 0.89 -0.69 3.99 -0.02 -1.26 -1.74 135.00 139.25 1azb n PRO 104 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1azb n PRO 104 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1azb n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azb n GLY 105 N 1.48 0.76 3.93 -1.23 0.00 -1.26 -4.99 105.19 103.87 1azb n GLY 105 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1azb n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1azb s GLU 106 N -0.35 3.53 -0.27 1.61 2.12 -0.71 -5.06 118.70 119.57 1azb s GLU 106 Ca 0.00 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 1azb s GLU 106 Cb 0.00 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 1azb s GLU 106 CO 0.00 0.32 0.23 0.00 -0.54 0.00 0.00 175.26 175.27 1azb s ALA 107 N -2.01 3.55 -0.04 6.30 0.00 -1.26 -4.61 121.76 123.69 1azb s ALA 107 Ca 0.40 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1azb s ALA 107 Cb -0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1azb s ALA 107 CO 0.31 -0.52 -0.15 0.71 0.00 0.00 0.00 175.76 176.10 1azb s TYR 108 N 1.72 2.66 -0.12 0.00 2.02 -1.15 -2.25 117.35 120.23 1azb s TYR 108 Ca 0.09 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1azb s TYR 108 Cb -0.16 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1azb s TYR 108 CO 0.10 0.17 0.02 0.00 -1.57 0.00 0.00 175.55 174.28 1azb s ALA 109 N -0.74 3.33 0.06 3.71 0.00 0.12 0.05 121.76 128.30 1azb s ALA 109 Ca 0.12 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1azb s ALA 109 Cb -0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1azb s ALA 109 CO 0.01 0.45 -0.24 1.52 0.00 0.00 0.00 175.76 177.50 1azb s TYR 110 N -0.46 2.10 0.24 0.00 -0.85 -0.69 -1.48 117.35 116.21 1azb s TYR 110 Ca 0.09 -0.40 -0.22 0.00 -0.52 0.00 0.00 57.07 56.02 1azb s TYR 110 Cb -0.12 -1.24 0.05 0.00 0.38 0.00 0.00 41.96 41.03 1azb s TYR 110 CO 0.02 0.14 0.88 -0.59 -1.52 0.00 0.00 175.55 174.48 1azb s PHE 111 N -0.85 -0.07 -0.24 -3.49 -0.71 0.13 -0.58 117.98 112.16 1azb s PHE 111 Ca 0.10 -0.36 -0.10 0.00 -1.04 0.00 0.00 56.93 55.53 1azb s PHE 111 Cb -0.10 0.71 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 1azb s PHE 111 CO 0.03 -1.09 0.14 0.00 -1.34 0.00 0.00 175.22 172.95 1azb n SER 113 N 4.44 1.39 -4.77 0.00 3.41 -1.26 -1.73 113.62 115.10 1azb n SER 113 Ca -0.15 -1.38 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 1azb n SER 113 Cb 0.52 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1azb n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1azb s PHE 114 N -2.09 2.54 -0.37 7.33 2.19 -1.26 -4.26 117.98 122.05 1azb s PHE 114 Ca 0.36 1.21 -0.41 0.00 0.33 0.00 0.00 56.93 58.42 1azb s PHE 114 Cb 0.21 -3.98 -0.18 0.00 -1.31 0.00 0.00 43.02 37.76 1azb s PHE 114 CO 0.37 -2.96 1.35 -2.30 1.83 0.00 0.00 175.22 173.51 1azb n PRO 115 N 0.19 0.00 -0.57 10.12 -0.02 -1.26 -0.72 135.00 142.74 1azb n PRO 115 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1azb n PRO 115 Cb 0.40 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1azb n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azb n GLY 116 N 3.19 1.13 0.12 -1.23 0.00 -1.26 -4.86 105.19 102.28 1azb n GLY 116 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1azb n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1azb h HIS 117 N 0.00 0.00 -0.30 1.61 3.86 -1.13 -3.35 115.15 115.84 1azb h HIS 117 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1azb h HIS 117 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1azb h HIS 117 CO 0.00 0.60 0.27 0.11 0.86 0.00 0.00 177.93 179.77 1azb h TRP 118 N 0.00 0.00 0.00 2.45 5.08 -1.51 -0.51 115.95 121.46 1azb h TRP 118 Ca -0.03 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.87 1azb h TRP 118 Cb 1.48 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.63 1azb h TRP 118 CO 0.00 0.00 -0.31 0.00 -1.28 0.00 0.00 178.44 176.85 1azb h ALA 119 N 1.74 1.15 0.00 0.11 0.00 -1.87 -3.28 119.26 117.11 1azb h ALA 119 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1azb h ALA 119 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1azb h ALA 119 CO -0.00 0.39 -1.06 -1.33 0.00 0.00 0.00 179.25 177.24 1azb n MET 120 N -3.69 1.61 -3.80 0.00 2.81 -0.58 -4.88 117.12 108.60 1azb n MET 120 Ca -0.01 -0.05 -0.34 0.00 -1.81 0.00 0.00 57.70 55.49 1azb n MET 120 Cb 0.42 -1.11 -0.11 0.00 -0.71 0.00 0.00 33.22 31.71 1azb n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1azb s MET 121 N -2.34 2.39 -0.03 0.03 -1.94 -0.30 -4.71 119.30 112.39 1azb s MET 121 Ca -0.01 -2.63 -0.20 0.00 -1.71 0.00 0.00 55.69 51.14 1azb s MET 121 Cb 0.06 -3.59 0.04 0.00 2.01 0.00 0.00 34.83 33.35 1azb s MET 121 CO 0.37 -1.16 0.42 0.21 -0.01 0.00 0.00 175.02 174.85 1azb s LYS 122 N -0.26 0.78 0.25 2.03 2.36 -1.26 -1.65 119.74 122.00 1azb s LYS 122 Ca 0.18 -0.03 -0.05 0.00 -2.55 0.00 0.00 55.97 53.51 1azb s LYS 122 Cb -0.21 0.36 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 1azb s LYS 122 CO -0.03 -0.22 0.43 0.41 1.55 0.00 0.00 175.35 177.49 1azb n GLY 123 N 1.22 1.91 3.28 5.54 0.00 0.25 -4.85 105.19 112.54 1azb n GLY 123 Ca -0.21 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1azb n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1azb s THR 124 N -2.56 1.89 0.00 2.61 2.01 0.34 -1.70 115.64 118.23 1azb s THR 124 Ca 0.16 -1.11 0.07 0.00 0.31 0.00 0.00 61.69 61.12 1azb s THR 124 Cb -0.02 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1azb s THR 124 CO 0.11 0.45 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.04 1azb s LEU 125 N -0.79 2.08 0.07 4.42 0.20 0.11 -1.25 118.68 123.53 1azb s LEU 125 Ca 0.09 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.37 1azb s LEU 125 Cb -0.09 -1.16 -0.00 0.00 -0.43 0.00 0.00 46.19 44.51 1azb s LEU 125 CO 0.00 0.26 0.19 -1.59 -0.29 0.00 0.00 176.35 174.92 1azb s LYS 126 N -0.73 0.79 -0.18 1.98 -2.85 -0.74 -2.96 119.74 115.05 1azb s LYS 126 Ca 0.09 -0.85 -0.17 0.00 -1.00 0.00 0.00 55.97 54.04 1azb s LYS 126 Cb -0.09 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1azb s LYS 126 CO -0.00 -0.24 0.43 -1.17 0.10 0.00 0.00 175.35 174.47 1azb s LEU 127 N -2.60 4.18 0.16 2.77 0.20 -1.26 -0.28 118.68 121.85 1azb s LEU 127 Ca 0.02 0.60 -0.14 0.00 0.69 0.00 0.00 54.13 55.30 1azb s LEU 127 Cb 0.03 -2.57 0.02 0.00 -0.43 0.00 0.00 46.19 43.23 1azb s LEU 127 CO -0.09 -0.07 0.40 -0.55 -0.29 0.00 0.00 176.35 175.76 1azb s SER 128 N 0.94 -0.14 0.00 3.68 0.15 -0.55 -4.38 113.70 113.41 1azb s SER 128 Ca 0.21 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1azb s SER 128 Cb -0.15 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1azb s SER 128 CO 0.08 -0.94 0.28 -0.46 1.20 0.00 0.00 173.24 173.40