#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azr n GLN 2 N 0.00 1.62 -1.89 0.00 7.27 -1.26 -3.04 117.38 120.08 1azr n GLN 2 Ca 0.00 0.39 -0.05 0.00 0.07 0.00 0.00 57.00 57.40 1azr n GLN 2 Cb 0.00 -3.14 -0.01 0.00 2.41 0.00 0.00 30.24 29.50 1azr n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1azr s SER 4 N -1.76 -0.11 0.03 0.00 1.04 -1.17 -1.92 113.70 109.82 1azr s SER 4 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1azr s SER 4 Cb 0.00 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1azr s SER 4 CO 0.00 -0.90 -0.04 0.54 0.98 0.00 0.00 173.24 173.82 1azr s VAL 5 N -3.88 0.26 -0.17 5.02 0.11 -0.28 0.12 120.40 121.57 1azr s VAL 5 Ca 0.09 -1.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.02 1azr s VAL 5 Cb 0.02 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1azr s VAL 5 CO -0.06 -0.55 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.22 1azr s ASP 6 N -1.74 3.76 0.09 3.54 1.01 -1.26 -0.76 116.67 121.31 1azr s ASP 6 Ca -0.10 -0.46 0.04 0.00 0.71 0.00 0.00 52.55 52.74 1azr s ASP 6 Cb -0.07 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 1azr s ASP 6 CO -0.02 0.06 -0.12 -0.51 0.21 0.00 0.00 175.17 174.79 1azr s ILE 7 N 0.99 1.02 0.03 0.77 2.07 0.73 -4.94 121.20 121.88 1azr s ILE 7 Ca -0.02 -1.51 0.07 0.00 -1.41 0.00 0.00 60.65 57.78 1azr s ILE 7 Cb -0.15 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 1azr s ILE 7 CO -0.02 -0.42 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.29 1azr s GLN 8 N -2.36 1.30 -0.16 3.50 -0.21 -1.26 -1.31 119.66 119.15 1azr s GLN 8 Ca 0.03 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1azr s GLN 8 Cb -0.06 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.58 1azr s GLN 8 CO 0.01 0.35 -0.13 0.20 -2.12 0.00 0.00 175.29 173.61 1azr s GLY 9 N -1.07 1.52 0.26 3.09 0.00 -0.78 -1.34 107.32 109.00 1azr s GLY 9 Ca 0.06 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1azr s GLY 9 CO 0.01 0.08 0.26 1.16 0.00 0.00 0.00 173.10 174.61 1azr n ASN 10 N 4.12 1.45 0.00 1.64 0.23 -0.37 -3.74 115.26 118.59 1azr n ASN 10 Ca -0.19 -1.79 0.02 0.00 -0.53 0.00 0.00 54.58 52.09 1azr n ASN 10 Cb 0.52 -0.09 0.12 0.00 -2.08 0.00 0.00 39.78 38.24 1azr n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1azr n ASP 11 N -2.25 0.00 -0.79 0.53 8.00 -1.26 -3.00 116.55 117.78 1azr n ASP 11 Ca 0.03 -1.78 0.07 0.00 0.71 0.00 0.00 54.79 53.82 1azr n ASP 11 Cb 0.28 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.59 1azr n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azr n GLN 12 N -0.56 2.93 -3.47 -1.24 3.00 -1.26 -4.97 117.38 111.81 1azr n GLN 12 Ca 0.03 -2.48 -0.21 0.00 -0.01 0.00 0.00 57.00 54.33 1azr n GLN 12 Cb 0.01 -1.59 0.06 0.00 0.00 0.00 0.00 30.24 28.73 1azr n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1azr n MET 13 N -0.02 -2.96 -4.14 -1.09 2.81 -1.16 -5.03 117.12 105.53 1azr n MET 13 Ca 0.17 0.71 -0.17 0.00 -1.81 0.00 0.00 57.70 56.60 1azr n MET 13 Cb 0.68 -5.27 -0.15 0.00 -0.71 0.00 0.00 33.22 27.78 1azr n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1azr s GLN 14 N -5.21 0.50 0.22 0.03 -0.21 -1.26 -4.51 119.66 109.22 1azr s GLN 14 Ca 0.33 -0.14 -0.02 0.00 0.02 0.00 0.00 55.36 55.55 1azr s GLN 14 Cb -0.07 -0.51 -0.04 0.00 1.00 0.00 0.00 33.01 33.39 1azr s GLN 14 CO 0.78 0.05 0.43 -0.06 -2.12 0.00 0.00 175.29 174.37 1azr s PHE 15 N 0.20 3.48 -2.37 0.91 0.08 -1.26 -1.24 117.98 117.79 1azr s PHE 15 Ca -0.02 0.41 0.23 0.00 0.12 0.00 0.00 56.93 57.67 1azr s PHE 15 Cb -0.06 -1.91 0.81 0.00 -0.57 0.00 0.00 43.02 41.29 1azr s PHE 15 CO -0.00 0.33 1.59 0.27 -0.10 0.00 0.00 175.22 177.31 1azr n ASN 16 N -0.74 1.73 -3.98 1.36 6.94 -0.45 -4.86 115.26 115.27 1azr n ASN 16 Ca -0.04 -1.67 -0.09 0.00 -0.02 0.00 0.00 54.58 52.76 1azr n ASN 16 Cb 0.54 -0.08 -0.11 0.00 -2.36 0.00 0.00 39.78 37.77 1azr n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1azr s THR 17 N -1.84 0.12 -0.05 5.53 -1.32 -1.26 -4.96 115.64 111.86 1azr s THR 17 Ca 0.34 -1.02 0.08 0.00 -1.21 0.00 0.00 61.69 59.88 1azr s THR 17 Cb 0.19 -0.51 0.14 0.00 -1.51 0.00 0.00 72.50 70.81 1azr s THR 17 CO 0.29 -0.56 1.07 -0.46 -2.21 0.00 0.00 174.62 172.74 1azr n ASN 18 N 1.31 0.86 -3.68 8.08 0.23 -1.26 -4.90 115.26 115.90 1azr n ASN 18 Ca -0.22 -2.41 -0.11 0.00 -0.53 0.00 0.00 54.58 51.31 1azr n ASN 18 Cb 0.56 -0.29 -0.09 0.00 -2.08 0.00 0.00 39.78 37.88 1azr n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1azr s ALA 19 N -1.00 -1.40 -0.04 -2.53 0.00 -1.26 -2.67 121.76 112.87 1azr s ALA 19 Ca 0.14 1.78 0.04 0.00 0.00 0.00 0.00 51.96 53.93 1azr s ALA 19 Cb 0.14 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1azr s ALA 19 CO -0.01 -0.29 -0.16 0.42 0.00 0.00 0.00 175.76 175.71 1azr s ILE 20 N 1.02 1.35 -0.10 0.00 1.01 0.52 -4.94 121.20 120.07 1azr s ILE 20 Ca -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1azr s ILE 20 Cb -0.06 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1azr s ILE 20 CO -0.09 0.39 -0.05 -0.89 0.00 0.00 0.00 174.94 174.30 1azr s THR 21 N 0.05 3.84 -0.17 2.92 2.01 -1.26 -1.24 115.64 121.78 1azr s THR 21 Ca -0.03 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1azr s THR 21 Cb -0.11 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1azr s THR 21 CO 0.02 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.66 1azr s VAL 22 N -0.36 2.52 0.18 3.82 1.01 0.58 -4.94 120.40 123.22 1azr s VAL 22 Ca 0.06 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1azr s VAL 22 Cb -0.12 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 1azr s VAL 22 CO 0.02 0.51 0.77 -0.62 0.00 0.00 0.00 175.10 175.79 1azr s ASP 23 N 1.02 7.32 0.65 3.32 2.15 -1.26 -0.72 116.67 129.16 1azr s ASP 23 Ca -0.02 1.61 0.40 0.00 0.43 0.00 0.00 52.55 54.97 1azr s ASP 23 Cb -0.15 -2.49 2.23 0.00 -0.30 0.00 0.00 42.92 42.22 1azr s ASP 23 CO -0.04 0.17 2.31 0.11 -0.17 0.00 0.00 175.17 177.56 1azr h LYS 24 N 4.12 0.00 -0.05 4.34 1.57 -1.43 -2.20 116.57 122.93 1azr h LYS 24 Ca -0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1azr h LYS 24 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1azr h LYS 24 CO 0.66 0.00 -0.21 0.77 -0.57 0.00 0.00 179.45 180.09 1azr h SER 25 N 0.00 0.08 -2.87 0.86 0.02 -1.93 -3.44 113.55 106.27 1azr h SER 25 Ca 0.00 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1azr h SER 25 Cb 0.06 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.61 1azr h SER 25 CO -0.00 0.30 0.84 0.00 -1.14 0.00 0.00 176.83 176.83 1azr h LYS 27 N 6.96 0.14 -4.69 0.00 6.56 -1.89 -3.43 116.57 120.22 1azr h LYS 27 Ca -0.42 -0.24 -0.25 0.00 -1.06 0.00 0.00 60.65 58.68 1azr h LYS 27 Cb 1.20 0.09 -0.15 0.00 -0.57 0.00 0.00 32.23 32.81 1azr h LYS 27 CO 0.90 1.03 -0.67 -0.65 -2.06 0.00 0.00 179.45 178.00 1azr s GLN 28 N -2.66 0.98 0.01 3.15 -0.21 -1.26 -1.49 119.66 118.17 1azr s GLN 28 Ca -0.04 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 53.90 1azr s GLN 28 Cb 0.08 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.90 1azr s GLN 28 CO 0.85 -0.10 -0.02 0.12 -2.12 0.00 0.00 175.29 174.01 1azr s PHE 29 N -3.69 0.19 -0.02 0.91 5.36 -0.76 -4.83 117.98 115.14 1azr s PHE 29 Ca 0.19 -0.26 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 1azr s PHE 29 Cb 0.06 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1azr s PHE 29 CO 0.00 -0.08 -0.24 0.99 -1.46 0.00 0.00 175.22 174.43 1azr s THR 30 N -0.71 1.91 -0.08 0.12 2.01 -0.81 -1.49 115.64 116.60 1azr s THR 30 Ca -0.07 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 60.94 1azr s THR 30 Cb -0.05 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1azr s THR 30 CO -0.00 0.54 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.55 1azr s VAL 31 N -0.54 1.91 -0.21 3.82 1.01 -0.11 -1.13 120.40 125.14 1azr s VAL 31 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1azr s VAL 31 Cb -0.10 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1azr s VAL 31 CO -0.01 0.53 -0.15 0.20 0.00 0.00 0.00 175.10 175.67 1azr s ASN 32 N 0.16 3.71 -0.15 3.32 0.01 0.06 -1.51 114.94 120.54 1azr s ASN 32 Ca -0.12 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.07 1azr s ASN 32 Cb -0.16 -1.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 1azr s ASN 32 CO 0.06 -0.08 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.35 1azr s LEU 33 N 1.23 3.48 0.25 0.60 2.96 0.36 -0.19 118.68 127.37 1azr s LEU 33 Ca -0.00 -0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1azr s LEU 33 Cb -0.16 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1azr s LEU 33 CO -0.09 0.20 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.09 1azr s SER 34 N 0.17 2.82 -0.42 3.68 1.04 -0.43 -2.20 113.70 118.38 1azr s SER 34 Ca 0.01 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1azr s SER 34 Cb -0.13 -0.18 0.13 0.00 0.10 0.00 0.00 66.02 65.94 1azr s SER 34 CO 0.02 -0.23 0.23 -2.28 0.98 0.00 0.00 173.24 171.96 1azr s HIS 35 N -2.92 1.77 1.18 5.02 2.46 -1.20 -1.86 115.29 119.74 1azr s HIS 35 Ca 0.27 -2.27 -0.15 0.00 0.47 0.00 0.00 55.06 53.38 1azr s HIS 35 Cb 0.01 -1.73 0.24 0.00 -0.13 0.00 0.00 32.58 30.97 1azr s HIS 35 CO 0.10 -0.79 0.66 -0.35 -2.47 0.00 0.00 174.74 171.89 1azr n PRO 36 N 3.69 -2.35 0.00 2.88 -0.04 -1.25 -1.76 135.00 136.17 1azr n PRO 36 Ca 0.09 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1azr n PRO 36 Cb 0.35 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1azr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1azr n GLY 37 N 1.42 -1.54 0.00 0.55 0.00 -1.26 -4.29 105.19 100.07 1azr n GLY 37 Ca 0.01 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1azr n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1azr n ASN 38 N 0.00 0.58 -4.76 1.61 4.13 -1.26 -4.53 115.26 111.02 1azr n ASN 38 Ca 0.00 -0.97 -0.39 0.00 1.68 0.00 0.00 54.58 54.90 1azr n ASN 38 Cb 0.00 0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 1azr n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1azr s LEU 39 N -0.05 4.52 0.99 3.41 1.43 -1.26 -4.80 118.68 122.93 1azr s LEU 39 Ca 0.00 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 1azr s LEU 39 Cb 0.00 -3.75 0.18 0.00 0.03 0.00 0.00 46.19 42.65 1azr s LEU 39 CO 0.00 0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.54 1azr s PRO 40 N -1.52 0.50 0.23 1.29 0.04 -1.26 -1.51 135.00 132.76 1azr s PRO 40 Ca 0.45 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1azr s PRO 40 Cb -0.25 -1.75 0.20 0.00 0.04 0.00 0.00 34.50 32.74 1azr s PRO 40 CO 0.31 -2.67 1.84 -0.22 0.04 0.00 0.00 177.00 176.30 1azr h LYS 41 N -1.84 1.25 0.00 4.56 3.64 -1.87 -0.32 116.57 121.98 1azr h LYS 41 Ca -0.54 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 58.62 1azr h LYS 41 Cb 1.33 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1azr h LYS 41 CO 0.59 0.93 -0.30 -2.95 -2.27 0.00 0.00 179.45 175.44 1azr h ASN 42 N 1.24 0.00 0.05 4.20 -1.07 -1.96 0.12 115.58 118.17 1azr h ASN 42 Ca 0.31 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.30 1azr h ASN 42 Cb 0.06 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.27 1azr h ASN 42 CO -0.05 0.30 -2.18 0.52 0.07 0.00 0.00 177.43 176.09 1azr n VAL 43 N -3.74 1.62 -2.53 6.14 0.31 -0.97 -4.72 118.33 114.43 1azr n VAL 43 Ca -0.01 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.68 1azr n VAL 43 Cb 0.40 -1.65 0.04 0.00 -0.91 0.00 0.00 33.84 31.72 1azr n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1azr n MET 44 N -3.54 2.45 -1.79 5.55 0.00 -0.17 -5.03 117.12 114.58 1azr n MET 44 Ca -0.40 -3.76 -0.35 0.00 -0.00 0.00 0.00 57.70 53.19 1azr n MET 44 Cb 0.98 -1.86 0.06 0.00 0.00 0.00 0.00 33.22 32.39 1azr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1azr s GLY 45 N -3.73 2.57 -0.02 -5.12 0.00 0.40 -4.82 107.32 96.61 1azr s GLY 45 Ca 0.36 0.94 -0.08 0.00 0.00 0.00 0.00 44.72 45.94 1azr s GLY 45 CO -0.01 1.34 0.18 0.30 0.00 0.00 0.00 173.10 174.90 1azr s HIS 46 N -1.77 -0.05 0.20 1.90 3.76 -0.69 -4.75 115.29 113.89 1azr s HIS 46 Ca 0.76 0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 55.67 1azr s HIS 46 Cb -0.30 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 1azr s HIS 46 CO 0.38 -0.26 0.30 0.16 -0.85 0.00 0.00 174.74 174.46 1azr s ASP 47 N -1.05 0.04 -0.18 1.40 -4.77 -1.26 -0.77 116.67 110.08 1azr s ASP 47 Ca -0.11 -1.06 0.01 0.00 -3.30 0.00 0.00 52.55 48.09 1azr s ASP 47 Cb -0.06 0.47 0.02 0.00 -1.09 0.00 0.00 42.92 42.26 1azr s ASP 47 CO 0.02 -0.96 -0.19 0.86 0.70 0.00 0.00 175.17 175.60 1azr s TRP 48 N -4.05 2.79 0.07 2.11 -0.00 -1.26 -3.78 118.94 114.82 1azr s TRP 48 Ca 0.26 -1.60 0.07 0.00 -0.00 0.00 0.00 56.10 54.83 1azr s TRP 48 Cb 0.03 -1.93 -0.03 0.00 -0.00 0.00 0.00 33.47 31.55 1azr s TRP 48 CO 0.07 -0.79 -0.20 0.08 -0.00 0.00 0.00 176.95 176.10 1azr s VAL 49 N 1.29 1.65 -0.03 5.86 1.01 0.01 -2.19 120.40 127.99 1azr s VAL 49 Ca 0.05 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1azr s VAL 49 Cb -0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1azr s VAL 49 CO -0.12 0.09 -0.17 -0.22 0.00 0.00 0.00 175.10 174.69 1azr s LEU 50 N -1.45 1.97 0.34 3.92 2.96 -0.81 -1.90 118.68 123.72 1azr s LEU 50 Ca 0.07 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1azr s LEU 50 Cb -0.09 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1azr s LEU 50 CO 0.03 0.18 0.58 -0.94 -1.32 0.00 0.00 176.35 174.88 1azr s SER 51 N -0.18 0.48 0.85 3.68 1.04 -1.02 -0.76 113.70 117.78 1azr s SER 51 Ca 0.02 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 55.04 1azr s SER 51 Cb -0.09 0.72 0.10 0.00 0.10 0.00 0.00 66.02 66.85 1azr s SER 51 CO 0.01 -1.41 1.09 0.42 0.98 0.00 0.00 173.24 174.33 1azr s THR 52 N -2.94 2.88 0.37 2.02 -4.23 -1.26 -1.16 115.64 111.31 1azr s THR 52 Ca 0.24 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1azr s THR 52 Cb -0.02 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 71.20 1azr s THR 52 CO 0.16 -0.37 1.95 0.00 -0.54 0.00 0.00 174.62 175.81 1azr h ALA 53 N -1.38 1.52 -0.82 3.99 0.00 -1.47 -2.71 119.26 118.38 1azr h ALA 53 Ca -0.48 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1azr h ALA 53 Cb 1.27 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1azr h ALA 53 CO 0.55 0.36 0.54 0.00 0.00 0.00 0.00 179.25 180.69 1azr h ALA 54 N 1.62 1.50 -0.01 0.00 0.00 -1.91 -3.08 119.26 117.39 1azr h ALA 54 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1azr h ALA 54 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1azr h ALA 54 CO -0.00 0.41 -0.33 -0.25 0.00 0.00 0.00 179.25 179.09 1azr n ASP 55 N -4.45 0.98 -0.06 0.00 8.00 -1.03 -4.46 116.55 115.53 1azr n ASP 55 Ca 0.11 -0.80 -0.08 0.00 0.71 0.00 0.00 54.79 54.72 1azr n ASP 55 Cb 0.12 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1azr n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1azr h MET 56 N 1.02 -0.23 -0.67 -1.24 4.05 -1.52 -0.86 114.93 115.48 1azr h MET 56 Ca 0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1azr h MET 56 Cb 0.52 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 1azr h MET 56 CO 0.00 -0.16 0.35 0.37 0.23 0.00 0.00 176.91 177.70 1azr h GLN 57 N -0.24 0.95 -0.72 0.39 5.75 -1.81 0.31 115.11 119.74 1azr h GLN 57 Ca 0.15 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1azr h GLN 57 Cb 0.47 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1azr h GLN 57 CO -0.42 0.73 0.35 0.78 -2.65 0.00 0.00 178.83 177.63 1azr h GLY 58 N 0.92 1.09 1.13 2.39 0.00 -1.66 0.14 103.07 107.09 1azr h GLY 58 Ca 0.23 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1azr h GLY 58 CO -0.03 0.50 -0.64 -2.08 0.00 0.00 0.00 176.54 174.28 1azr h VAL 59 N 1.02 1.28 -0.37 4.60 2.07 -0.77 -2.02 116.25 122.06 1azr h VAL 59 Ca 0.25 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 1azr h VAL 59 Cb 0.09 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1azr h VAL 59 CO -0.03 0.59 -0.17 0.58 0.02 0.00 0.00 177.57 178.55 1azr h VAL 60 N 0.56 1.26 -0.07 2.57 2.07 0.31 -2.42 116.25 120.52 1azr h VAL 60 Ca -0.02 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1azr h VAL 60 Cb 1.26 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1azr h VAL 60 CO 0.14 0.41 -0.25 0.74 0.02 0.00 0.00 177.57 178.62 1azr h THR 61 N 0.61 1.43 -0.21 2.57 2.02 -0.76 -3.06 112.91 115.51 1azr h THR 61 Ca 0.10 -1.63 -0.11 0.00 0.77 0.00 0.00 66.41 65.53 1azr h THR 61 Cb 0.63 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1azr h THR 61 CO 0.04 0.47 -0.34 0.44 0.37 0.00 0.00 175.52 176.50 1azr h ASP 62 N -0.20 0.46 -0.77 4.18 3.32 -1.34 -2.68 116.42 119.38 1azr h ASP 62 Ca -0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1azr h ASP 62 Cb 0.88 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1azr h ASP 62 CO 0.05 0.77 0.35 1.23 -1.72 0.00 0.00 179.24 179.92 1azr h GLY 63 N 1.08 1.21 1.03 2.75 0.00 -1.54 -2.50 103.07 105.10 1azr h GLY 63 Ca 0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1azr h GLY 63 CO 0.06 0.59 0.39 1.98 0.00 0.00 0.00 176.54 179.56 1azr h MET 64 N 1.10 1.14 0.00 4.80 1.85 -1.37 -0.70 114.93 121.75 1azr h MET 64 Ca 0.26 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1azr h MET 64 Cb 0.15 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1azr h MET 64 CO -0.03 0.88 0.00 0.00 -0.40 0.00 0.00 176.91 177.36 1azr n ALA 65 N -2.40 2.13 0.09 0.39 0.00 -0.98 -3.58 120.51 116.16 1azr n ALA 65 Ca 0.07 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1azr n ALA 65 Cb 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1azr n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1azr n SER 66 N -1.17 0.84 0.00 0.00 7.64 -0.27 -5.07 113.62 115.58 1azr n SER 66 Ca 0.12 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1azr n SER 66 Cb 0.12 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1azr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1azr n GLY 67 N 1.23 1.48 0.34 0.23 0.00 -1.23 -4.14 105.19 103.10 1azr n GLY 67 Ca -0.02 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.29 1azr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azr h LEU 68 N 0.00 0.59 -1.82 0.99 5.85 -1.92 -1.33 115.31 117.68 1azr h LEU 68 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1azr h LEU 68 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1azr h LEU 68 CO 0.00 0.39 -0.05 -2.24 -0.34 0.00 0.00 178.44 176.20 1azr h ASP 69 N 0.68 0.00 -0.57 1.25 2.03 -2.02 -1.92 116.42 115.87 1azr h ASP 69 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1azr h ASP 69 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1azr h ASP 69 CO -0.08 0.05 0.00 0.29 -1.03 0.00 0.00 179.24 178.47 1azr n LYS 70 N -3.23 4.25 -3.58 4.15 4.76 -0.57 -4.94 118.16 118.99 1azr n LYS 70 Ca -0.01 -3.02 -0.27 0.00 -2.87 0.00 0.00 58.31 52.15 1azr n LYS 70 Cb 0.26 -2.07 0.02 0.00 -1.84 0.00 0.00 35.03 31.40 1azr n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1azr n ASP 71 N 0.70 -4.94 -4.38 4.39 9.92 -0.72 -2.40 116.55 119.12 1azr n ASP 71 Ca 0.26 -0.57 -0.38 0.00 -0.53 0.00 0.00 54.79 53.57 1azr n ASP 71 Cb 1.04 -3.98 -0.06 0.00 -0.64 0.00 0.00 41.12 37.49 1azr n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1azr n TYR 72 N -4.50 -1.40 -3.94 1.24 4.01 -0.77 -4.75 117.16 107.05 1azr n TYR 72 Ca -0.00 0.72 -0.16 0.00 -0.16 0.00 0.00 57.90 58.30 1azr n TYR 72 Cb 0.55 -2.45 -0.16 0.00 -0.31 0.00 0.00 39.34 36.97 1azr n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1azr s LEU 73 N -7.26 1.37 0.25 7.72 1.43 -1.01 -4.24 118.68 116.95 1azr s LEU 73 Ca 0.66 -0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 1azr s LEU 73 Cb -0.38 -0.18 -0.11 0.00 0.03 0.00 0.00 46.19 45.55 1azr s LEU 73 CO 0.98 -0.07 1.61 -0.75 0.23 0.00 0.00 176.35 178.35 1azr s LYS 74 N 0.75 4.15 0.18 1.70 2.20 -1.26 -4.89 119.74 122.57 1azr s LYS 74 Ca -0.07 2.54 -0.30 0.00 -0.36 0.00 0.00 55.97 57.77 1azr s LYS 74 Cb -0.10 -3.06 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 1azr s LYS 74 CO -0.01 -0.64 1.27 -2.14 -0.36 0.00 0.00 175.35 173.47 1azr s PRO 75 N 0.13 4.42 -1.49 4.03 0.02 -1.26 -2.98 135.00 137.86 1azr s PRO 75 Ca 0.67 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.60 1azr s PRO 75 Cb -0.47 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 30.84 1azr s PRO 75 CO 0.41 -0.21 0.78 -0.25 -0.33 0.00 0.00 177.00 177.41 1azr n ASP 76 N 2.70 -6.03 -4.60 2.53 8.00 -1.26 -4.92 116.55 112.96 1azr n ASP 76 Ca 0.06 -0.39 -0.43 0.00 0.71 0.00 0.00 54.79 54.74 1azr n ASP 76 Cb 0.44 -4.83 -0.03 0.00 -0.02 0.00 0.00 41.12 36.67 1azr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1azr s ASP 77 N -2.90 5.89 0.00 -2.24 -1.08 -1.16 -4.85 116.67 110.33 1azr s ASP 77 Ca 0.41 1.42 0.08 0.00 -0.52 0.00 0.00 52.55 53.94 1azr s ASP 77 Cb -0.18 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.22 1azr s ASP 77 CO 0.50 -1.69 1.04 -1.54 0.52 0.00 0.00 175.17 174.00 1azr n SER 78 N 10.26 0.00 0.00 -0.34 3.41 -1.26 -1.80 113.62 123.89 1azr n SER 78 Ca 0.23 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1azr n SER 78 Cb 0.46 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 1azr n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1azr n ARG 79 N -1.13 0.15 -3.06 4.33 1.74 -1.26 -4.83 116.66 112.61 1azr n ARG 79 Ca 0.05 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1azr n ARG 79 Cb 0.05 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 1azr n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1azr s VAL 80 N -3.12 4.97 0.06 1.55 1.01 -0.74 -4.43 120.40 119.69 1azr s VAL 80 Ca 0.05 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 1azr s VAL 80 Cb 0.16 -3.99 -0.28 0.00 0.00 0.00 0.00 36.38 32.27 1azr s VAL 80 CO 0.85 0.05 1.07 0.40 0.00 0.00 0.00 175.10 177.48 1azr h ILE 81 N 5.27 1.42 -1.90 2.22 2.04 -1.27 -3.49 117.51 121.81 1azr h ILE 81 Ca -0.29 -3.01 0.08 0.00 1.00 0.00 0.00 64.86 62.64 1azr h ILE 81 Cb 1.13 2.89 -0.19 0.00 -0.74 0.00 0.00 36.82 39.91 1azr h ILE 81 CO 0.79 0.87 0.50 0.00 0.00 0.00 0.00 178.15 180.32 1azr s ALA 82 N -2.65 -1.88 0.19 1.87 0.00 -1.25 -5.01 121.76 113.04 1azr s ALA 82 Ca -0.05 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.00 1azr s ALA 82 Cb 0.07 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1azr s ALA 82 CO 0.87 -0.48 0.76 -3.38 0.00 0.00 0.00 175.76 173.54 1azr s HIS 83 N -1.98 -0.28 0.28 0.00 -3.43 -1.26 -1.92 115.29 106.69 1azr s HIS 83 Ca 0.00 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.25 1azr s HIS 83 Cb -0.01 0.64 0.03 0.00 -1.43 0.00 0.00 32.58 31.81 1azr s HIS 83 CO -0.02 -0.97 0.23 0.25 -2.00 0.00 0.00 174.74 172.23 1azr n THR 84 N -0.42 0.00 -1.92 -5.38 -2.24 -0.93 -4.82 114.28 98.57 1azr n THR 84 Ca -0.08 -1.07 -0.13 0.00 -2.27 0.00 0.00 64.05 60.49 1azr n THR 84 Cb 0.61 -0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.59 1azr n THR 84 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1azr n LYS 85 N -1.22 -0.23 -3.78 -0.78 4.76 -1.26 -4.76 118.16 110.90 1azr n LYS 85 Ca 0.00 -1.20 -0.36 0.00 -2.87 0.00 0.00 58.31 53.88 1azr n LYS 85 Cb 0.31 -0.52 -0.13 0.00 -1.84 0.00 0.00 35.03 32.85 1azr n LYS 85 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1azr s LEU 86 N 0.00 3.42 0.17 -0.35 2.96 -1.26 -4.34 118.68 119.29 1azr s LEU 86 Ca 0.36 -0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 1azr s LEU 86 Cb -0.01 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1azr s LEU 86 CO 0.25 -0.03 -0.09 0.27 -1.32 0.00 0.00 176.35 175.43 1azr s ILE 87 N 1.56 3.21 0.00 6.68 -4.36 0.05 -4.85 121.20 123.50 1azr s ILE 87 Ca 0.06 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1azr s ILE 87 Cb -0.15 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1azr s ILE 87 CO 0.03 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1azr n GLY 88 N 0.09 2.49 3.77 6.27 0.00 -1.26 -1.71 105.19 114.84 1azr n GLY 88 Ca -0.11 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 1azr n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1azr s SER 89 N -0.96 5.54 0.00 1.61 1.04 -0.57 -2.93 113.70 117.43 1azr s SER 89 Ca 0.00 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1azr s SER 89 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1azr s SER 89 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1azr n GLY 90 N 0.22 2.86 3.12 7.32 0.00 -0.72 -4.96 105.19 113.02 1azr n GLY 90 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1azr n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1azr n GLU 91 N -0.72 -0.53 -3.51 1.61 1.02 -1.15 -4.89 120.64 112.46 1azr n GLU 91 Ca 0.00 -1.91 -0.17 0.00 -0.02 0.00 0.00 57.16 55.06 1azr n GLU 91 Cb 0.00 -0.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 1azr n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1azr s LYS 92 N -4.98 1.08 0.18 3.49 2.47 -1.26 -3.25 119.74 117.48 1azr s LYS 92 Ca 0.57 0.13 -0.23 0.00 -1.56 0.00 0.00 55.97 54.88 1azr s LYS 92 Cb -0.02 0.51 0.06 0.00 -1.46 0.00 0.00 37.83 36.91 1azr s LYS 92 CO 0.39 -0.36 0.64 0.34 0.16 0.00 0.00 175.35 176.52 1azr s ASP 93 N -1.44 -0.49 0.09 1.43 2.15 -0.93 -5.03 116.67 112.44 1azr s ASP 93 Ca -0.09 -0.15 -0.03 0.00 0.43 0.00 0.00 52.55 52.72 1azr s ASP 93 Cb -0.00 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.21 1azr s ASP 93 CO 0.06 -1.05 0.05 -0.44 -0.17 0.00 0.00 175.17 173.62 1azr s SER 94 N -2.79 0.36 -0.10 -0.34 0.01 -1.26 -0.49 113.70 109.08 1azr s SER 94 Ca 0.04 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.11 1azr s SER 94 Cb -0.02 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.51 1azr s SER 94 CO -0.08 -0.68 0.44 0.54 0.41 0.00 0.00 173.24 173.87 1azr s VAL 95 N -3.96 0.02 -0.10 3.43 0.11 -0.57 -4.88 120.40 114.45 1azr s VAL 95 Ca 0.13 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1azr s VAL 95 Cb 0.07 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1azr s VAL 95 CO -0.06 -0.08 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.58 1azr s THR 96 N -0.46 1.54 0.20 5.04 2.01 -1.26 -0.94 115.64 121.78 1azr s THR 96 Ca -0.06 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1azr s THR 96 Cb -0.03 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1azr s THR 96 CO 0.03 0.45 -0.09 0.72 -0.69 0.00 0.00 174.62 175.04 1azr s PHE 97 N 0.83 1.56 0.15 4.92 -0.71 -0.56 -4.95 117.98 119.22 1azr s PHE 97 Ca -0.10 -0.73 -0.29 0.00 -1.04 0.00 0.00 56.93 54.77 1azr s PHE 97 Cb -0.16 -0.82 -0.07 0.00 -1.21 0.00 0.00 43.02 40.77 1azr s PHE 97 CO 0.01 0.17 0.91 -0.51 -1.34 0.00 0.00 175.22 174.46 1azr s ASP 98 N -3.28 7.51 0.35 1.98 1.01 -1.26 -1.82 116.67 121.15 1azr s ASP 98 Ca 0.23 1.79 0.27 0.00 0.71 0.00 0.00 52.55 55.55 1azr s ASP 98 Cb 0.02 -2.57 0.98 0.00 1.01 0.00 0.00 42.92 42.36 1azr s ASP 98 CO 0.06 0.05 1.79 0.58 0.21 0.00 0.00 175.17 177.85 1azr h VAL 99 N 3.67 0.00 0.00 -1.27 2.07 -1.54 -2.71 116.25 116.48 1azr h VAL 99 Ca -0.44 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1azr h VAL 99 Cb 1.21 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1azr h VAL 99 CO 0.70 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.75 1azr n SER 100 N -2.56 0.00 -0.20 0.57 3.41 -1.26 -1.73 113.62 111.84 1azr n SER 100 Ca 0.03 -0.28 0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1azr n SER 100 Cb 0.32 -0.14 0.44 0.00 -0.26 0.00 0.00 64.21 64.57 1azr n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1azr n LYS 101 N -1.14 0.78 -3.96 4.33 5.02 -1.02 -4.83 118.16 117.33 1azr n LYS 101 Ca 0.11 -0.41 -0.28 0.00 -2.02 0.00 0.00 58.31 55.71 1azr n LYS 101 Cb 0.10 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1azr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1azr s LEU 102 N -2.51 4.26 0.05 -0.35 1.43 -0.71 -5.12 118.68 115.73 1azr s LEU 102 Ca 0.25 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1azr s LEU 102 Cb 0.19 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1azr s LEU 102 CO 0.51 0.11 -0.12 -1.59 0.23 0.00 0.00 176.35 175.49 1azr s LYS 103 N -2.86 0.75 0.22 1.70 -2.85 -1.26 -5.05 119.74 110.38 1azr s LYS 103 Ca 0.34 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 1azr s LYS 103 Cb -0.12 -0.69 -0.10 0.00 -2.06 0.00 0.00 37.83 34.86 1azr s LYS 103 CO 0.27 0.16 1.43 -2.00 0.10 0.00 0.00 175.35 175.31 1azr s GLU 104 N -1.42 4.29 0.00 1.78 2.56 -1.26 -3.25 118.70 121.39 1azr s GLU 104 Ca -0.03 2.25 0.00 0.00 0.00 0.00 0.00 54.97 57.19 1azr s GLU 104 Cb -0.09 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.90 1azr s GLU 104 CO 0.01 -0.42 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 1azr n GLY 105 N 2.56 0.77 3.54 -1.50 0.00 -1.26 -5.07 105.19 104.23 1azr n GLY 105 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1azr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1azr s GLU 106 N -0.54 1.97 -0.20 1.61 2.12 -1.20 -5.11 118.70 117.34 1azr s GLU 106 Ca 0.00 -1.19 -0.08 0.00 0.36 0.00 0.00 54.97 54.06 1azr s GLU 106 Cb 0.00 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 1azr s GLU 106 CO 0.00 0.47 0.08 -0.65 -0.54 0.00 0.00 175.26 174.62 1azr s GLN 107 N -2.44 3.96 0.26 4.30 -0.21 -1.26 -4.88 119.66 119.38 1azr s GLN 107 Ca 0.22 -0.34 0.10 0.00 0.02 0.00 0.00 55.36 55.35 1azr s GLN 107 Cb -0.10 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1azr s GLN 107 CO 0.13 0.18 -0.05 0.71 -2.12 0.00 0.00 175.29 174.14 1azr s TYR 108 N 0.65 2.63 -0.01 0.91 2.02 -1.23 -1.30 117.35 121.02 1azr s TYR 108 Ca 0.04 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1azr s TYR 108 Cb -0.13 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1azr s TYR 108 CO 0.01 0.62 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.90 1azr s MET 109 N -3.54 0.67 0.07 -0.62 -1.94 -0.31 -2.25 119.30 111.38 1azr s MET 109 Ca 0.30 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.04 1azr s MET 109 Cb -0.06 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 36.09 1azr s MET 109 CO 0.19 0.15 0.08 -0.59 -0.01 0.00 0.00 175.02 174.84 1azr s PHE 110 N -0.09 3.22 0.16 -0.03 -0.12 -0.61 -2.44 117.98 118.06 1azr s PHE 110 Ca 0.02 0.10 -0.24 0.00 -0.05 0.00 0.00 56.93 56.76 1azr s PHE 110 Cb -0.04 -1.64 0.06 0.00 -0.63 0.00 0.00 43.02 40.77 1azr s PHE 110 CO -0.00 0.53 0.74 -0.59 -0.05 0.00 0.00 175.22 175.84 1azr s PHE 111 N -1.37 -0.35 -0.08 3.49 -0.71 -0.80 -1.85 117.98 116.32 1azr s PHE 111 Ca 0.29 0.08 -0.17 0.00 -1.04 0.00 0.00 56.93 56.08 1azr s PHE 111 Cb -0.12 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 1azr s PHE 111 CO 0.21 -0.89 0.46 0.00 -1.34 0.00 0.00 175.22 173.66 1azr n THR 113 N 3.06 0.30 -1.70 0.00 -2.24 -1.26 -3.37 114.28 109.07 1azr n THR 113 Ca -0.09 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1azr n THR 113 Cb 0.52 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1azr n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1azr n PHE 114 N 0.91 2.48 -1.67 4.78 -0.00 -1.26 -4.57 117.46 118.12 1azr n PHE 114 Ca 0.17 0.34 -0.49 0.00 -0.00 0.00 0.00 57.45 57.47 1azr n PHE 114 Cb 0.47 -2.53 -0.05 0.00 -0.00 0.00 0.00 39.48 37.37 1azr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1azr n PRO 115 N 2.22 1.91 0.00 -7.13 -0.02 -1.26 -1.63 135.00 129.08 1azr n PRO 115 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1azr n PRO 115 Cb 0.34 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1azr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azr n GLY 116 N 3.74 2.88 0.16 -1.23 0.00 -1.26 -4.88 105.19 104.60 1azr n GLY 116 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1azr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1azr h HIS 117 N 0.00 0.52 0.00 1.61 3.86 -1.62 -3.33 115.15 116.19 1azr h HIS 117 Ca 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1azr h HIS 117 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1azr h HIS 117 CO 0.00 1.03 0.00 -1.13 0.86 0.00 0.00 177.93 178.69 1azr n SER 118 N -3.79 0.00 0.09 2.45 3.41 -1.22 -0.93 113.62 113.62 1azr n SER 118 Ca -0.05 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1azr n SER 118 Cb 0.75 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1azr n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1azr h ALA 119 N 2.12 0.31 0.00 7.33 0.00 -1.91 -3.36 119.26 123.76 1azr h ALA 119 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 54.91 53.71 1azr h ALA 119 Cb 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1azr h ALA 119 CO 0.00 1.03 -2.33 1.28 0.00 0.00 0.00 179.25 179.22 1azr n LEU 120 N -3.53 0.44 -4.23 0.00 4.77 -0.33 -4.78 117.00 109.34 1azr n LEU 120 Ca -0.04 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1azr n LEU 120 Cb 0.92 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 42.27 1azr n LEU 120 CO 0.50 0.54 0.45 -0.04 -1.33 0.00 0.00 177.39 177.51 1azr s MET 121 N -2.50 3.53 0.22 3.23 -1.94 -0.11 -4.83 119.30 116.90 1azr s MET 121 Ca -0.12 -2.92 -0.18 0.00 -1.71 0.00 0.00 55.69 50.75 1azr s MET 121 Cb 0.07 -4.23 0.02 0.00 2.01 0.00 0.00 34.83 32.70 1azr s MET 121 CO 0.80 -1.25 0.58 -1.59 -0.01 0.00 0.00 175.02 173.55 1azr s LYS 122 N -0.71 1.50 0.18 2.03 0.00 -1.26 -2.73 119.74 118.74 1azr s LYS 122 Ca 0.24 -0.92 -0.23 0.00 0.00 0.00 0.00 55.97 55.06 1azr s LYS 122 Cb -0.11 0.54 0.07 0.00 0.00 0.00 0.00 37.83 38.33 1azr s LYS 122 CO -0.09 -0.65 1.00 0.20 0.00 0.00 0.00 175.35 175.81 1azr s GLY 123 N -2.90 -0.02 0.10 0.59 0.00 -0.77 -4.89 107.32 99.44 1azr s GLY 123 Ca 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 44.72 44.58 1azr s GLY 123 CO 0.01 1.27 0.41 -0.51 0.00 0.00 0.00 173.10 174.28 1azr s THR 124 N -2.61 5.08 -0.09 0.90 -4.23 -1.09 -1.57 115.64 112.03 1azr s THR 124 Ca 0.18 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1azr s THR 124 Cb -0.02 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1azr s THR 124 CO 0.04 0.22 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.94 1azr s LEU 125 N -2.10 1.87 -0.02 4.79 0.20 -0.95 -0.35 118.68 122.11 1azr s LEU 125 Ca 0.36 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.78 1azr s LEU 125 Cb -0.13 -1.14 -0.01 0.00 -0.43 0.00 0.00 46.19 44.48 1azr s LEU 125 CO 0.19 0.09 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.29 1azr s THR 126 N 0.57 1.33 -0.36 3.68 2.01 -0.38 -3.51 115.64 118.98 1azr s THR 126 Ca -0.15 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 1azr s THR 126 Cb -0.17 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1azr s THR 126 CO 0.05 0.38 0.51 -0.22 -0.69 0.00 0.00 174.62 174.65 1azr s LEU 127 N -0.31 4.41 0.00 4.42 1.98 -1.26 -0.31 118.68 127.61 1azr s LEU 127 Ca 0.05 -0.12 0.03 0.00 -2.89 0.00 0.00 54.13 51.19 1azr s LEU 127 Cb -0.07 -2.57 0.03 0.00 0.66 0.00 0.00 46.19 44.23 1azr s LEU 127 CO -0.00 -0.51 0.60 2.29 -1.89 0.00 0.00 176.35 176.84