#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azu s GLN 2 N 0.00 1.17 -1.50 0.00 2.00 -1.26 -4.78 119.66 115.29 2azu s GLN 2 Ca 0.00 -0.81 -0.03 0.00 -2.00 0.00 0.00 55.36 52.53 2azu s GLN 2 Cb 0.00 -2.37 0.01 0.00 0.80 0.00 0.00 33.01 31.45 2azu s GLN 2 CO 0.00 -0.66 0.26 0.00 -0.50 0.00 0.00 175.29 174.39 2azu s SER 4 N -2.34 -0.51 -0.10 0.00 0.15 -1.26 -1.44 113.70 108.20 2azu s SER 4 Ca 0.15 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 2azu s SER 4 Cb -0.07 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2azu s SER 4 CO 0.19 -0.59 0.37 0.54 1.20 0.00 0.00 173.24 174.95 2azu s VAL 5 N -1.90 0.02 -0.19 4.45 0.11 -0.41 -2.77 120.40 119.72 2azu s VAL 5 Ca -0.04 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 2azu s VAL 5 Cb -0.00 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2azu s VAL 5 CO 0.01 -0.09 -0.02 -1.81 -3.33 0.00 0.00 175.10 169.86 2azu s ASP 6 N -0.38 4.79 0.05 3.54 1.11 -1.26 -0.28 116.67 124.25 2azu s ASP 6 Ca -0.05 -0.19 0.03 0.00 0.18 0.00 0.00 52.55 52.52 2azu s ASP 6 Cb -0.03 -1.81 -0.03 0.00 1.07 0.00 0.00 42.92 42.12 2azu s ASP 6 CO 0.02 0.10 -0.10 -0.51 1.18 0.00 0.00 175.17 175.86 2azu s ILE 7 N 0.80 0.71 0.06 0.77 2.07 0.03 -4.95 121.20 120.70 2azu s ILE 7 Ca -0.00 -1.15 0.07 0.00 -1.41 0.00 0.00 60.65 58.16 2azu s ILE 7 Cb -0.14 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 2azu s ILE 7 CO 0.02 -0.34 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.42 2azu s GLN 8 N -1.64 1.20 -0.07 3.50 -0.21 -1.26 -1.45 119.66 119.74 2azu s GLN 8 Ca -0.08 -0.95 0.06 0.00 0.02 0.00 0.00 55.36 54.41 2azu s GLN 8 Cb -0.10 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.58 2azu s GLN 8 CO 0.01 0.33 -0.25 0.20 -2.12 0.00 0.00 175.29 173.46 2azu s GLY 9 N -1.35 1.29 0.13 3.09 0.00 -1.11 -0.71 107.32 108.66 2azu s GLY 9 Ca 0.05 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.77 2azu s GLY 9 CO 0.02 -0.57 0.09 1.16 0.00 0.00 0.00 173.10 173.80 2azu n ASN 10 N 3.07 1.49 -0.15 1.64 0.23 -0.21 -4.28 115.26 117.05 2azu n ASN 10 Ca -0.18 -1.47 0.13 0.00 -0.53 0.00 0.00 54.58 52.53 2azu n ASN 10 Cb 0.52 -0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.90 2azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2azu n ASP 11 N -1.91 0.47 -1.25 0.53 8.00 -1.26 -2.73 116.55 118.40 2azu n ASP 11 Ca -0.01 -1.30 0.08 0.00 0.71 0.00 0.00 54.79 54.27 2azu n ASP 11 Cb 0.15 -0.01 0.31 0.00 -0.02 0.00 0.00 41.12 41.55 2azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2azu n GLN 12 N -0.57 3.60 -3.58 -1.24 1.13 -1.26 -4.95 117.38 110.50 2azu n GLN 12 Ca 0.19 -2.86 -0.20 0.00 -1.94 0.00 0.00 57.00 52.19 2azu n GLN 12 Cb 0.17 -1.91 0.06 0.00 0.11 0.00 0.00 30.24 28.67 2azu n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2azu n MET 13 N 0.16 -5.95 -4.29 -1.09 2.81 -1.11 -5.01 117.12 102.64 2azu n MET 13 Ca 0.23 0.74 -0.19 0.00 -1.81 0.00 0.00 57.70 56.66 2azu n MET 13 Cb 0.93 -5.56 -0.13 0.00 -0.71 0.00 0.00 33.22 27.75 2azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2azu s GLN 14 N -5.76 0.88 0.33 0.03 -0.21 -1.26 -3.75 119.66 109.92 2azu s GLN 14 Ca 0.08 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.67 2azu s GLN 14 Cb -0.04 -0.89 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 2azu s GLN 14 CO 0.77 0.21 0.52 -0.06 -2.12 0.00 0.00 175.29 174.62 2azu s PHE 15 N -0.97 3.49 -2.01 0.91 0.08 -1.26 -1.04 117.98 117.19 2azu s PHE 15 Ca 0.00 0.34 0.14 0.00 0.12 0.00 0.00 56.93 57.53 2azu s PHE 15 Cb -0.08 -1.88 0.40 0.00 -0.57 0.00 0.00 43.02 40.88 2azu s PHE 15 CO 0.01 0.16 1.33 0.27 -0.10 0.00 0.00 175.22 176.90 2azu n ASN 16 N -1.63 2.37 -3.74 1.36 6.94 0.11 -4.83 115.26 115.84 2azu n ASN 16 Ca -0.05 -2.00 -0.13 0.00 -0.02 0.00 0.00 54.58 52.38 2azu n ASN 16 Cb 0.56 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 2azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2azu s THR 17 N -1.41 0.02 -1.56 5.53 -1.32 -1.26 -4.96 115.64 110.68 2azu s THR 17 Ca 0.30 -0.18 0.18 0.00 -1.21 0.00 0.00 61.69 60.78 2azu s THR 17 Cb 0.15 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2azu s THR 17 CO 0.20 -0.10 0.91 0.59 -2.21 0.00 0.00 174.62 174.01 2azu n ASN 18 N 2.16 1.65 -3.69 8.08 5.03 -1.26 -4.84 115.26 122.38 2azu n ASN 18 Ca -0.17 -1.32 -0.10 0.00 0.87 0.00 0.00 54.58 53.86 2azu n ASN 18 Cb 0.57 0.54 -0.10 0.00 -1.02 0.00 0.00 39.78 39.76 2azu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2azu s ALA 19 N -2.15 -1.15 -0.02 5.41 0.00 -1.26 -1.48 121.76 121.11 2azu s ALA 19 Ca 0.14 1.64 0.08 0.00 0.00 0.00 0.00 51.96 53.82 2azu s ALA 19 Cb 0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2azu s ALA 19 CO 0.49 -0.28 -0.26 0.42 0.00 0.00 0.00 175.76 176.14 2azu s ILE 20 N 1.43 2.01 -0.08 0.00 1.01 -0.48 -4.99 121.20 120.10 2azu s ILE 20 Ca -0.10 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.50 2azu s ILE 20 Cb -0.08 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2azu s ILE 20 CO -0.14 0.56 -0.21 0.42 0.00 0.00 0.00 174.94 175.58 2azu s THR 21 N -0.60 2.39 -0.16 2.92 -4.23 -1.26 -2.11 115.64 112.59 2azu s THR 21 Ca 0.10 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 2azu s THR 21 Cb -0.10 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2azu s THR 21 CO -0.01 0.56 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.92 2azu s VAL 22 N 0.02 4.03 0.01 2.29 1.01 -0.04 -4.95 120.40 122.77 2azu s VAL 22 Ca -0.08 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2azu s VAL 22 Cb -0.15 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2azu s VAL 22 CO 0.05 0.49 1.46 -0.62 0.00 0.00 0.00 175.10 176.48 2azu s ASP 23 N 0.37 6.79 0.48 3.32 -1.08 -1.26 -0.19 116.67 125.11 2azu s ASP 23 Ca -0.03 2.19 0.19 0.00 -0.52 0.00 0.00 52.55 54.38 2azu s ASP 23 Cb -0.14 -2.56 1.20 0.00 -1.46 0.00 0.00 42.92 39.97 2azu s ASP 23 CO 0.03 -0.77 2.00 0.50 0.52 0.00 0.00 175.17 177.45 2azu h LYS 24 N 8.01 0.20 -0.03 4.34 3.64 -1.94 -1.24 116.57 129.54 2azu h LYS 24 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2azu h LYS 24 Cb 1.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2azu h LYS 24 CO 0.91 0.13 0.00 -1.13 -2.27 0.00 0.00 179.45 177.09 2azu n SER 25 N -4.44 0.22 -4.70 4.20 3.41 -1.26 -4.75 113.62 106.30 2azu n SER 25 Ca 0.09 -1.68 -0.39 0.00 -0.26 0.00 0.00 58.87 56.63 2azu n SER 25 Cb 0.46 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 2azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2azu h LYS 27 N 6.95 0.76 -4.68 0.00 3.64 -1.88 -3.42 116.57 117.94 2azu h LYS 27 Ca -0.38 -0.55 -0.25 0.00 -1.27 0.00 0.00 60.65 58.21 2azu h LYS 27 Cb 1.18 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 2azu h LYS 27 CO 0.76 1.17 -0.67 -0.65 -2.27 0.00 0.00 179.45 177.79 2azu s GLN 28 N -3.91 0.97 -0.00 1.90 -0.21 -1.26 -2.28 119.66 114.87 2azu s GLN 28 Ca -0.10 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 53.85 2azu s GLN 28 Cb 0.10 -0.16 -0.00 0.00 1.00 0.00 0.00 33.01 33.95 2azu s GLN 28 CO 0.89 -0.11 -0.02 0.12 -2.12 0.00 0.00 175.29 174.05 2azu s PHE 29 N -3.71 0.16 -0.03 0.91 5.36 -0.54 -4.81 117.98 115.31 2azu s PHE 29 Ca 0.19 -0.03 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 2azu s PHE 29 Cb 0.06 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 2azu s PHE 29 CO 0.00 -0.00 -0.22 0.99 -1.46 0.00 0.00 175.22 174.53 2azu s THR 30 N -0.05 2.37 -0.13 0.12 2.01 -0.52 -1.45 115.64 117.98 2azu s THR 30 Ca 0.01 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2azu s THR 30 Cb -0.01 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2azu s THR 30 CO -0.00 0.58 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 2azu s VAL 31 N -0.61 2.52 -0.24 3.82 1.01 -0.11 -1.29 120.40 125.49 2azu s VAL 31 Ca 0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2azu s VAL 31 Cb -0.10 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.27 2azu s VAL 31 CO -0.00 0.54 -0.07 0.20 0.00 0.00 0.00 175.10 175.76 2azu s ASN 32 N 0.53 4.26 -0.19 3.32 0.01 0.62 -1.59 114.94 121.90 2azu s ASN 32 Ca -0.11 -0.88 -0.07 0.00 -0.71 0.00 0.00 52.86 51.09 2azu s ASN 32 Cb -0.16 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 2azu s ASN 32 CO 0.04 -0.12 0.05 -0.22 -1.51 0.00 0.00 177.10 175.34 2azu s LEU 33 N 1.31 3.70 0.09 0.60 2.96 0.20 -0.79 118.68 126.75 2azu s LEU 33 Ca 0.00 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 2azu s LEU 33 Cb -0.17 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2azu s LEU 33 CO -0.05 0.14 -0.18 -0.94 -1.32 0.00 0.00 176.35 174.01 2azu s SER 34 N 0.55 2.13 -0.41 3.68 1.04 -0.53 -1.46 113.70 118.70 2azu s SER 34 Ca 0.02 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2azu s SER 34 Cb -0.13 -0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.00 2azu s SER 34 CO 0.01 0.00 0.17 -0.76 0.98 0.00 0.00 173.24 173.64 2azu s LEU 35 N -1.79 5.01 0.00 2.42 1.02 -0.98 -2.74 118.68 121.61 2azu s LEU 35 Ca 0.03 -2.21 0.31 0.00 0.02 0.00 0.00 54.13 52.27 2azu s LEU 35 Cb -0.10 -1.74 1.75 0.00 0.02 0.00 0.00 46.19 46.11 2azu s LEU 35 CO 0.03 -0.45 2.15 -0.81 0.02 0.00 0.00 176.35 177.30 2azu n PRO 36 N 4.27 0.85 0.00 1.29 -0.04 -1.26 -0.81 135.00 139.31 2azu n PRO 36 Ca 0.01 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2azu n PRO 36 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2azu n GLY 37 N 1.10 -0.80 0.00 0.55 0.00 -1.26 -4.86 105.19 99.91 2azu n GLY 37 Ca 0.21 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2azu n ASN 38 N 0.00 0.15 -4.76 1.61 4.13 -1.26 -4.31 115.26 110.82 2azu n ASN 38 Ca 0.00 -0.17 -0.39 0.00 1.68 0.00 0.00 54.58 55.70 2azu n ASN 38 Cb 0.00 0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 38.54 2azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2azu s LEU 39 N -0.75 4.54 0.83 3.41 1.43 -1.26 -4.90 118.68 121.98 2azu s LEU 39 Ca 0.00 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 2azu s LEU 39 Cb 0.00 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.59 2azu s LEU 39 CO 0.00 0.09 1.13 -2.16 0.23 0.00 0.00 176.35 175.63 2azu s PRO 40 N -1.47 1.70 0.30 1.29 0.04 -1.26 -3.18 135.00 132.42 2azu s PRO 40 Ca 0.44 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 2azu s PRO 40 Cb -0.23 -1.82 0.46 0.00 0.04 0.00 0.00 34.50 32.95 2azu s PRO 40 CO 0.29 -2.10 1.96 -0.22 0.04 0.00 0.00 177.00 176.98 2azu h LYS 41 N -1.35 1.03 0.00 4.56 3.64 -1.87 -0.28 116.57 122.30 2azu h LYS 41 Ca -0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2azu h LYS 41 Cb 1.25 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2azu h LYS 41 CO 0.47 0.70 0.00 -2.95 -2.27 0.00 0.00 179.45 175.40 2azu h ASN 42 N 1.06 0.00 0.00 4.20 -1.07 -1.95 0.19 115.58 118.01 2azu h ASN 42 Ca 0.28 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.34 2azu h ASN 42 Cb -0.09 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.11 2azu h ASN 42 CO -0.06 0.00 -2.16 0.52 0.07 0.00 0.00 177.43 175.80 2azu n VAL 43 N -3.07 1.16 -2.74 6.14 0.31 -0.89 -4.74 118.33 114.51 2azu n VAL 43 Ca 0.00 -0.68 -0.02 0.00 -0.01 0.00 0.00 64.34 63.63 2azu n VAL 43 Cb 0.27 -0.64 0.09 0.00 -0.91 0.00 0.00 33.84 32.65 2azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2azu n MET 44 N -2.69 1.48 -1.66 5.55 0.00 -0.17 -5.03 117.12 114.61 2azu n MET 44 Ca -0.29 -2.27 -0.36 0.00 0.00 0.00 0.00 57.70 54.78 2azu n MET 44 Cb 1.03 -0.50 0.08 0.00 0.00 0.00 0.00 33.22 33.83 2azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2azu s GLY 45 N -2.30 2.75 0.02 -5.12 0.00 0.67 -4.74 107.32 98.60 2azu s GLY 45 Ca 0.18 1.15 0.01 0.00 0.00 0.00 0.00 44.72 46.06 2azu s GLY 45 CO -0.08 1.58 -0.04 0.30 0.00 0.00 0.00 173.10 174.85 2azu s HIS 46 N -1.51 0.38 0.15 1.90 3.76 -0.46 -4.72 115.29 114.78 2azu s HIS 46 Ca 0.81 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 55.38 2azu s HIS 46 Cb -0.36 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 2azu s HIS 46 CO 0.41 -0.09 0.05 0.54 -0.85 0.00 0.00 174.74 174.81 2azu s ASN 47 N -0.96 0.56 -0.19 1.40 2.20 -1.26 -1.27 114.94 115.42 2azu s ASN 47 Ca -0.08 -1.22 -0.00 0.00 -0.94 0.00 0.00 52.86 50.62 2azu s ASN 47 Cb -0.07 0.25 0.01 0.00 -2.00 0.00 0.00 41.25 39.45 2azu s ASN 47 CO -0.00 -0.70 -0.17 0.86 -2.94 0.00 0.00 177.10 174.15 2azu s TRP 48 N -3.95 2.81 0.04 1.54 -0.00 -1.26 -4.07 118.94 114.05 2azu s TRP 48 Ca 0.26 -1.46 0.08 0.00 -0.00 0.00 0.00 56.10 54.97 2azu s TRP 48 Cb 0.07 -1.95 -0.03 0.00 -0.00 0.00 0.00 33.47 31.56 2azu s TRP 48 CO 0.04 -0.73 -0.22 0.08 -0.00 0.00 0.00 176.95 176.12 2azu s VAL 49 N 1.29 1.75 -0.08 5.86 1.01 -0.23 -1.31 120.40 128.69 2azu s VAL 49 Ca 0.04 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.86 2azu s VAL 49 Cb -0.13 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 2azu s VAL 49 CO -0.10 0.26 -0.24 -0.22 0.00 0.00 0.00 175.10 174.79 2azu s LEU 50 N -1.13 2.08 0.30 3.92 2.96 -0.18 -1.93 118.68 124.71 2azu s LEU 50 Ca 0.08 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2azu s LEU 50 Cb -0.09 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 2azu s LEU 50 CO 0.02 0.19 0.46 -0.94 -1.32 0.00 0.00 176.35 174.76 2azu s SER 51 N 0.15 0.47 0.76 3.68 1.04 -0.81 -0.84 113.70 118.16 2azu s SER 51 Ca -0.13 -1.28 -0.11 0.00 0.48 0.00 0.00 55.95 54.91 2azu s SER 51 Cb -0.16 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.63 2azu s SER 51 CO 0.07 -1.23 1.10 0.42 0.98 0.00 0.00 173.24 174.58 2azu s THR 52 N -3.42 3.23 0.33 2.02 -4.23 -1.26 -1.16 115.64 111.15 2azu s THR 52 Ca 0.28 0.43 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 2azu s THR 52 Cb -0.00 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.22 2azu s THR 52 CO 0.15 -0.49 1.94 0.00 -0.54 0.00 0.00 174.62 175.68 2azu h ALA 53 N -0.96 1.59 0.00 3.99 0.00 -1.25 -1.96 119.26 120.67 2azu h ALA 53 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2azu h ALA 53 Cb 1.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2azu h ALA 53 CO 0.51 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.92 2azu h ALA 54 N 1.55 1.07 -0.00 0.00 0.00 -1.92 -3.13 119.26 116.84 2azu h ALA 54 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2azu h ALA 54 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2azu h ALA 54 CO -0.12 0.17 -0.68 -0.25 0.00 0.00 0.00 179.25 178.36 2azu n ASP 55 N -3.36 0.73 -0.04 0.00 8.00 -0.75 -4.59 116.55 116.56 2azu n ASP 55 Ca -0.00 -0.58 -0.09 0.00 0.71 0.00 0.00 54.79 54.83 2azu n ASP 55 Cb 0.34 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 2azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2azu h MET 56 N 0.08 0.01 -0.73 -1.24 4.05 -1.47 -1.94 114.93 113.69 2azu h MET 56 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2azu h MET 56 Cb 0.50 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 2azu h MET 56 CO 0.00 0.01 0.45 0.37 0.23 0.00 0.00 176.91 177.97 2azu h GLN 57 N 0.01 0.99 -0.67 0.39 5.75 -1.81 0.17 115.11 119.94 2azu h GLN 57 Ca 0.09 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2azu h GLN 57 Cb 0.13 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 2azu h GLN 57 CO -0.18 0.69 0.23 0.78 -2.65 0.00 0.00 178.83 177.69 2azu h GLY 58 N 0.99 1.10 0.98 2.39 0.00 -1.79 -0.56 103.07 106.18 2azu h GLY 58 Ca 0.26 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2azu h GLY 58 CO -0.05 0.59 0.24 -2.08 0.00 0.00 0.00 176.54 175.24 2azu h VAL 59 N 0.96 1.20 -0.03 4.60 2.07 -0.80 -0.08 116.25 124.18 2azu h VAL 59 Ca 0.22 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2azu h VAL 59 Cb 0.27 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2azu h VAL 59 CO -0.01 0.23 0.01 0.58 0.02 0.00 0.00 177.57 178.40 2azu h VAL 60 N 0.71 1.15 -0.19 2.57 2.07 -0.76 0.46 116.25 122.25 2azu h VAL 60 Ca 0.18 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2azu h VAL 60 Cb 0.14 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2azu h VAL 60 CO -0.02 0.12 0.12 0.74 0.02 0.00 0.00 177.57 178.55 2azu h THR 61 N -0.14 1.03 0.00 2.57 2.02 -1.02 -1.49 112.91 115.88 2azu h THR 61 Ca 0.01 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2azu h THR 61 Cb 0.19 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2azu h THR 61 CO -0.00 0.04 -0.41 0.44 0.37 0.00 0.00 175.52 175.96 2azu h ASP 62 N 0.24 0.00 -0.66 4.18 3.32 -1.00 -2.42 116.42 120.09 2azu h ASP 62 Ca 0.07 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2azu h ASP 62 Cb -0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2azu h ASP 62 CO -0.03 0.41 0.08 1.23 -1.72 0.00 0.00 179.24 179.22 2azu h GLY 63 N 1.90 1.19 0.71 2.75 0.00 -0.49 -0.69 103.07 108.44 2azu h GLY 63 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 2azu h GLY 63 CO 0.05 0.76 -0.02 1.98 0.00 0.00 0.00 176.54 179.31 2azu h MET 64 N 1.02 -0.04 -0.78 4.80 1.85 -1.08 -2.39 114.93 118.31 2azu h MET 64 Ca 0.20 0.00 0.19 0.00 -0.61 0.00 0.00 59.70 59.48 2azu h MET 64 Cb 0.48 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.47 2azu h MET 64 CO 0.02 0.25 0.54 0.00 -0.40 0.00 0.00 176.91 177.32 2azu h ALA 65 N 0.61 2.37 -0.12 0.39 0.00 -1.30 0.31 119.26 121.53 2azu h ALA 65 Ca -0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2azu h ALA 65 Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2azu h ALA 65 CO 0.01 -0.60 -0.48 0.77 0.00 0.00 0.00 179.25 178.94 2azu h SER 66 N 0.24 0.32 -3.18 0.00 0.02 -0.94 -3.49 113.55 106.53 2azu h SER 66 Ca 0.39 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.26 2azu h SER 66 Cb 1.16 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2azu h SER 66 CO -0.09 0.75 -0.10 0.61 -1.14 0.00 0.00 176.83 176.87 2azu n GLY 67 N 0.01 -1.84 0.37 -3.77 0.00 0.11 -4.11 105.19 95.96 2azu n GLY 67 Ca -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 2azu n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2azu n LEU 68 N 0.00 -0.69 -0.08 0.99 7.94 -1.26 -1.02 117.00 122.89 2azu n LEU 68 Ca 0.00 1.64 -0.01 0.00 -1.11 0.00 0.00 56.01 56.53 2azu n LEU 68 Cb 0.12 -0.34 0.27 0.00 0.53 0.00 0.00 43.42 44.00 2azu n LEU 68 CO 0.00 -1.44 1.02 -2.24 -1.11 0.00 0.00 177.39 173.62 2azu h ASP 69 N 0.00 0.64 -0.36 1.96 3.04 -2.01 -1.54 116.42 118.16 2azu h ASP 69 Ca 0.29 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.99 2azu h ASP 69 Cb 0.52 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 2azu h ASP 69 CO -0.92 0.62 0.00 0.29 -2.04 0.00 0.00 179.24 177.19 2azu n LYS 70 N -4.32 2.62 -2.85 4.15 5.02 -0.19 -4.88 118.16 117.72 2azu n LYS 70 Ca 0.03 -1.62 -0.21 0.00 -2.02 0.00 0.00 58.31 54.49 2azu n LYS 70 Cb 0.19 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2azu n ASP 71 N 0.50 -5.72 -3.59 4.39 9.92 -0.58 -2.07 116.55 119.40 2azu n ASP 71 Ca 0.15 -0.19 -0.27 0.00 -0.53 0.00 0.00 54.79 53.95 2azu n ASP 71 Cb 0.58 -4.68 0.03 0.00 -0.64 0.00 0.00 41.12 36.42 2azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2azu n TYR 72 N -4.26 -2.22 -4.17 1.24 4.01 -0.48 -4.83 117.16 106.44 2azu n TYR 72 Ca -0.14 0.76 -0.17 0.00 -0.16 0.00 0.00 57.90 58.19 2azu n TYR 72 Cb 0.63 -4.02 -0.15 0.00 -0.31 0.00 0.00 39.34 35.49 2azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2azu s LEU 73 N -7.02 1.76 0.06 7.72 1.43 -0.88 -4.28 118.68 117.47 2azu s LEU 73 Ca 0.54 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.22 2azu s LEU 73 Cb -0.26 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.55 2azu s LEU 73 CO 0.66 0.03 1.47 -0.75 0.23 0.00 0.00 176.35 177.99 2azu s LYS 74 N 0.23 4.27 0.35 1.70 2.20 -1.26 -4.80 119.74 122.43 2azu s LYS 74 Ca -0.02 2.11 -0.29 0.00 -0.36 0.00 0.00 55.97 57.41 2azu s LYS 74 Cb -0.06 -3.47 -0.11 0.00 -1.51 0.00 0.00 37.83 32.67 2azu s LYS 74 CO -0.00 -0.58 1.53 -2.14 -0.36 0.00 0.00 175.35 173.80 2azu s PRO 75 N 2.04 4.10 -1.37 4.03 0.02 -1.26 -2.49 135.00 140.07 2azu s PRO 75 Ca 0.67 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 64.22 2azu s PRO 75 Cb -0.36 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.23 2azu s PRO 75 CO 0.29 -0.59 0.50 -0.25 -0.33 0.00 0.00 177.00 176.63 2azu n ASP 76 N 0.98 -4.57 -4.66 2.53 8.00 -1.26 -4.88 116.55 112.70 2azu n ASP 76 Ca 0.03 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.79 2azu n ASP 76 Cb 0.38 -3.74 -0.03 0.00 -0.02 0.00 0.00 41.12 37.72 2azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2azu s ASP 77 N -2.68 6.70 0.43 -2.24 -1.08 -1.04 -4.86 116.67 111.90 2azu s ASP 77 Ca 0.34 2.19 0.19 0.00 -0.52 0.00 0.00 52.55 54.75 2azu s ASP 77 Cb -0.17 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.75 2azu s ASP 77 CO 0.42 -0.90 1.92 0.77 0.52 0.00 0.00 175.17 177.90 2azu h SER 78 N 9.33 0.00 0.86 -0.34 4.64 -1.92 -2.42 113.55 123.71 2azu h SER 78 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2azu h SER 78 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2azu h SER 78 CO 0.95 0.26 0.00 0.54 -0.87 0.00 0.00 176.83 177.71 2azu n ARG 79 N -3.89 0.03 -2.86 4.77 1.74 -1.26 -4.72 116.66 110.47 2azu n ARG 79 Ca -0.02 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 2azu n ARG 79 Cb 0.34 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 2azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2azu s VAL 80 N -3.02 4.45 0.13 1.55 1.01 -0.91 -4.52 120.40 119.09 2azu s VAL 80 Ca 0.11 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 2azu s VAL 80 Cb 0.15 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2azu s VAL 80 CO 0.44 -1.01 1.52 0.40 0.00 0.00 0.00 175.10 176.46 2azu h ILE 81 N 6.02 1.28 -1.97 2.22 2.04 -1.27 -3.47 117.51 122.35 2azu h ILE 81 Ca -0.26 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.36 2azu h ILE 81 Cb 1.08 1.23 -0.19 0.00 -0.74 0.00 0.00 36.82 38.20 2azu h ILE 81 CO 1.06 0.44 0.43 0.00 0.00 0.00 0.00 178.15 180.07 2azu s ALA 82 N -4.69 -1.84 -0.02 1.87 0.00 -1.24 -4.99 121.76 110.85 2azu s ALA 82 Ca -0.12 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 2azu s ALA 82 Cb 0.11 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.20 2azu s ALA 82 CO 0.84 -0.47 0.70 -3.38 0.00 0.00 0.00 175.76 173.45 2azu s HIS 83 N -1.92 -0.60 0.67 0.00 -3.43 -1.26 -1.00 115.29 107.74 2azu s HIS 83 Ca -0.01 0.91 -0.03 0.00 -0.80 0.00 0.00 55.06 55.12 2azu s HIS 83 Cb -0.01 0.44 0.14 0.00 -1.43 0.00 0.00 32.58 31.73 2azu s HIS 83 CO -0.01 -0.63 0.91 0.25 -2.00 0.00 0.00 174.74 173.27 2azu n THR 84 N 0.63 0.00 -1.61 -5.38 -2.24 -0.43 -4.85 114.28 100.40 2azu n THR 84 Ca -0.18 -1.21 -0.30 0.00 -2.27 0.00 0.00 64.05 60.10 2azu n THR 84 Cb 0.59 -1.12 0.10 0.00 -2.10 0.00 0.00 70.33 67.80 2azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2azu s LYS 85 N -4.87 1.95 -0.28 -0.78 1.02 -1.26 -4.70 119.74 110.82 2azu s LYS 85 Ca 0.58 0.51 -0.20 0.00 0.02 0.00 0.00 55.97 56.88 2azu s LYS 85 Cb -0.03 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2azu s LYS 85 CO 0.39 -1.69 0.60 -1.17 -0.92 0.00 0.00 175.35 172.56 2azu s LEU 86 N -5.78 4.09 0.41 3.17 2.96 -1.26 -4.43 118.68 117.84 2azu s LEU 86 Ca 0.61 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 2azu s LEU 86 Cb -0.14 -2.79 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2azu s LEU 86 CO 0.53 -0.39 0.03 0.27 -1.32 0.00 0.00 176.35 175.47 2azu s ILE 87 N 2.49 1.53 0.44 6.68 -4.36 -0.39 -4.90 121.20 122.68 2azu s ILE 87 Ca 0.24 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.66 2azu s ILE 87 Cb -0.15 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.80 2azu s ILE 87 CO 0.10 0.00 0.09 -0.83 0.24 0.00 0.00 174.94 174.54 2azu s GLY 88 N -3.68 2.74 -0.17 6.27 0.00 -1.26 -1.36 107.32 109.87 2azu s GLY 88 Ca 0.29 -0.99 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 2azu s GLY 88 CO 0.14 -1.94 0.74 -1.26 0.00 0.00 0.00 173.10 170.79 2azu n SER 89 N -1.31 0.40 0.00 1.64 2.88 -1.19 -1.42 113.62 114.61 2azu n SER 89 Ca -0.10 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2azu n SER 89 Cb 0.65 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2azu n GLY 90 N 1.63 1.92 3.99 0.46 0.00 0.01 -4.98 105.19 108.23 2azu n GLY 90 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2azu s GLU 91 N -0.39 2.73 -0.05 1.61 2.02 -0.51 -4.92 118.70 119.18 2azu s GLU 91 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 54.97 53.82 2azu s GLU 91 Cb 0.00 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.61 2azu s GLU 91 CO 0.00 -0.44 0.32 0.21 0.02 0.00 0.00 175.26 175.37 2azu s LYS 92 N -4.52 0.58 0.01 1.61 2.47 -1.26 -2.33 119.74 116.31 2azu s LYS 92 Ca 0.55 0.04 -0.23 0.00 -1.56 0.00 0.00 55.97 54.78 2azu s LYS 92 Cb -0.10 0.26 0.05 0.00 -1.46 0.00 0.00 37.83 36.58 2azu s LYS 92 CO 0.35 -0.14 0.52 0.34 0.16 0.00 0.00 175.35 176.58 2azu s ASP 93 N -0.80 -0.44 0.11 1.43 2.15 -0.53 -5.01 116.67 113.57 2azu s ASP 93 Ca -0.09 0.29 0.05 0.00 0.43 0.00 0.00 52.55 53.23 2azu s ASP 93 Cb -0.04 0.47 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 2azu s ASP 93 CO 0.03 -0.64 -0.12 -0.44 -0.17 0.00 0.00 175.17 173.83 2azu s SER 94 N -1.67 1.77 -0.02 -0.34 0.01 -1.26 -0.63 113.70 111.56 2azu s SER 94 Ca -0.08 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.37 2azu s SER 94 Cb -0.01 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2azu s SER 94 CO 0.02 -0.20 -0.03 0.54 0.41 0.00 0.00 173.24 173.98 2azu s VAL 95 N -2.31 0.37 -0.11 3.43 0.11 -0.62 -4.91 120.40 116.35 2azu s VAL 95 Ca 0.08 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2azu s VAL 95 Cb -0.04 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2azu s VAL 95 CO 0.02 0.15 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.91 2azu s THR 96 N 0.46 2.98 0.15 5.04 2.01 -1.26 -0.94 115.64 124.09 2azu s THR 96 Ca -0.05 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2azu s THR 96 Cb -0.09 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2azu s THR 96 CO -0.00 0.54 -0.11 0.72 -0.69 0.00 0.00 174.62 175.08 2azu s PHE 97 N 0.13 1.32 -0.02 4.92 -0.71 -0.53 -4.94 117.98 118.15 2azu s PHE 97 Ca -0.07 -0.72 -0.29 0.00 -1.04 0.00 0.00 56.93 54.81 2azu s PHE 97 Cb -0.15 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.97 2azu s PHE 97 CO 0.05 0.12 0.92 -0.51 -1.34 0.00 0.00 175.22 174.46 2azu s ASP 98 N -3.11 7.29 0.58 1.98 1.01 -1.26 -1.47 116.67 121.69 2azu s ASP 98 Ca 0.16 1.56 0.37 0.00 0.71 0.00 0.00 52.55 55.35 2azu s ASP 98 Cb 0.01 -2.54 1.68 0.00 1.01 0.00 0.00 42.92 43.09 2azu s ASP 98 CO 0.01 -0.23 2.10 0.58 0.21 0.00 0.00 175.17 177.84 2azu h VAL 99 N 4.80 0.00 0.00 -1.27 2.07 -1.71 -2.27 116.25 117.87 2azu h VAL 99 Ca -0.41 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2azu h VAL 99 Cb 1.21 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2azu h VAL 99 CO 0.75 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.80 2azu n SER 100 N -3.07 0.21 -0.09 0.57 3.41 -1.26 -1.33 113.62 112.05 2azu n SER 100 Ca -0.00 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 2azu n SER 100 Cb 0.24 -0.60 0.81 0.00 -0.26 0.00 0.00 64.21 64.39 2azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2azu n LYS 101 N -1.75 1.13 -5.05 4.33 5.02 -0.85 -4.77 118.16 116.22 2azu n LYS 101 Ca 0.02 -0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 2azu n LYS 101 Cb 0.14 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 2azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2azu s LEU 102 N -1.93 2.39 0.01 -0.35 1.43 -0.44 -5.11 118.68 114.68 2azu s LEU 102 Ca 0.43 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2azu s LEU 102 Cb 0.20 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 2azu s LEU 102 CO 0.34 0.24 0.27 -0.54 0.23 0.00 0.00 176.35 176.88 2azu s LYS 103 N -0.09 3.58 0.26 1.70 1.02 -1.26 -5.04 119.74 119.91 2azu s LYS 103 Ca -0.04 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 2azu s LYS 103 Cb -0.14 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 2azu s LYS 103 CO 0.04 0.65 0.95 -1.83 -0.92 0.00 0.00 175.35 174.24 2azu s GLU 104 N -1.77 4.78 0.00 1.68 -1.05 -1.26 -3.50 118.70 117.58 2azu s GLU 104 Ca 0.28 1.48 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 2azu s GLU 104 Cb -0.13 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 2azu s GLU 104 CO 0.16 0.44 0.00 0.41 0.95 0.00 0.00 175.26 177.23 2azu n GLY 105 N 1.27 0.74 3.68 -3.83 0.00 -1.26 -5.05 105.19 100.74 2azu n GLY 105 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2azu s GLU 106 N -0.47 2.51 -0.23 1.61 2.12 -1.23 -5.11 118.70 117.90 2azu s GLU 106 Ca 0.00 -0.89 -0.10 0.00 0.36 0.00 0.00 54.97 54.34 2azu s GLU 106 Cb 0.00 -2.50 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 2azu s GLU 106 CO 0.00 0.52 0.14 -0.65 -0.54 0.00 0.00 175.26 174.74 2azu s GLN 107 N -2.43 4.06 0.23 4.30 -1.52 -1.26 -4.81 119.66 118.22 2azu s GLN 107 Ca 0.26 -0.28 0.11 0.00 -1.95 0.00 0.00 55.36 53.50 2azu s GLN 107 Cb -0.11 -3.49 -0.05 0.00 -0.22 0.00 0.00 33.01 29.14 2azu s GLN 107 CO 0.18 0.09 -0.20 0.71 -0.25 0.00 0.00 175.29 175.83 2azu s TYR 108 N 0.95 2.36 0.01 0.91 2.02 -1.14 -0.83 117.35 121.63 2azu s TYR 108 Ca 0.07 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 2azu s TYR 108 Cb -0.13 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 2azu s TYR 108 CO 0.03 0.59 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.83 2azu s MET 109 N -3.08 0.99 0.15 -0.62 -1.94 -0.31 -1.47 119.30 113.02 2azu s MET 109 Ca 0.25 -0.61 0.09 0.00 -1.71 0.00 0.00 55.69 53.72 2azu s MET 109 Cb -0.07 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 2azu s MET 109 CO 0.13 0.25 -0.16 -0.59 -0.01 0.00 0.00 175.02 174.64 2azu s PHE 110 N -0.58 2.54 0.14 -0.03 -0.71 -0.31 -1.92 117.98 117.11 2azu s PHE 110 Ca 0.03 -0.26 -0.26 0.00 -1.04 0.00 0.00 56.93 55.41 2azu s PHE 110 Cb -0.06 -1.30 0.07 0.00 -1.21 0.00 0.00 43.02 40.52 2azu s PHE 110 CO 0.00 0.44 1.00 -0.59 -1.34 0.00 0.00 175.22 174.74 2azu s PHE 111 N -1.38 -0.11 -0.14 3.49 -0.71 -0.81 -0.90 117.98 117.42 2azu s PHE 111 Ca 0.20 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 55.87 2azu s PHE 111 Cb -0.10 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 2azu s PHE 111 CO 0.12 -0.77 0.01 0.00 -1.34 0.00 0.00 175.22 173.24 2azu n THR 113 N 3.06 0.83 -1.92 0.00 -2.24 -1.26 -3.51 114.28 109.24 2azu n THR 113 Ca -0.18 -0.90 -0.41 0.00 -2.27 0.00 0.00 64.05 60.29 2azu n THR 113 Cb 0.53 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2azu s PHE 114 N -1.17 2.89 -0.15 4.78 2.19 -1.26 -4.59 117.98 120.68 2azu s PHE 114 Ca 0.45 0.96 -0.40 0.00 0.33 0.00 0.00 56.93 58.28 2azu s PHE 114 Cb 0.24 -3.92 -0.17 0.00 -1.31 0.00 0.00 43.02 37.86 2azu s PHE 114 CO 0.32 -2.99 1.49 -2.30 1.83 0.00 0.00 175.22 173.57 2azu n PRO 115 N 2.08 0.81 0.00 10.12 -0.02 -1.26 -1.46 135.00 145.26 2azu n PRO 115 Ca 0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2azu n PRO 115 Cb 0.39 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2azu n GLY 116 N 3.20 3.13 0.20 -1.23 0.00 -1.26 -4.89 105.19 104.34 2azu n GLY 116 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.52 -3.24 115.15 115.86 2azu h HIS 117 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2azu h HIS 117 CO 0.00 0.30 -0.01 0.66 0.86 0.00 0.00 177.93 179.75 2azu h SER 118 N 0.00 0.00 0.09 2.45 4.64 -1.76 0.16 113.55 119.13 2azu h SER 118 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2azu h SER 118 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2azu h SER 118 CO 0.04 0.01 -0.04 0.00 -0.87 0.00 0.00 176.83 175.97 2azu h ALA 119 N 1.99 1.54 0.00 5.18 0.00 -1.92 -3.34 119.26 122.72 2azu h ALA 119 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2azu h ALA 119 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2azu h ALA 119 CO 0.00 0.05 -1.06 1.28 0.00 0.00 0.00 179.25 179.52 2azu n LEU 120 N -3.92 1.88 -4.57 0.00 4.77 -0.76 -4.91 117.00 109.50 2azu n LEU 120 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 2azu n LEU 120 Cb 0.13 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2azu n LEU 120 CO 0.29 0.33 1.84 -0.04 -1.33 0.00 0.00 177.39 178.48 2azu s MET 121 N -2.02 3.93 0.12 3.23 -1.94 0.49 -4.76 119.30 118.35 2azu s MET 121 Ca -0.01 -1.90 -0.24 0.00 -1.71 0.00 0.00 55.69 51.82 2azu s MET 121 Cb 0.00 -5.46 0.07 0.00 2.01 0.00 0.00 34.83 31.45 2azu s MET 121 CO 0.02 -2.21 0.64 -1.59 -0.01 0.00 0.00 175.02 171.87 2azu s LYS 122 N 4.11 1.21 0.21 2.03 0.00 -1.26 -2.41 119.74 123.64 2azu s LYS 122 Ca 0.51 -0.37 -0.22 0.00 0.00 0.00 0.00 55.97 55.90 2azu s LYS 122 Cb 0.03 0.56 0.07 0.00 0.00 0.00 0.00 37.83 38.49 2azu s LYS 122 CO 0.04 -0.51 0.98 0.20 0.00 0.00 0.00 175.35 176.06 2azu s GLY 123 N -2.53 0.09 0.07 0.59 0.00 -0.07 -4.87 107.32 100.60 2azu s GLY 123 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.41 2azu s GLY 123 CO -0.10 1.53 0.18 -0.51 0.00 0.00 0.00 173.10 174.20 2azu s THR 124 N -2.41 5.21 0.01 0.90 -4.23 -0.55 -1.16 115.64 113.41 2azu s THR 124 Ca 0.19 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2azu s THR 124 Cb -0.03 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 2azu s THR 124 CO 0.06 0.13 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.92 2azu s LEU 125 N -2.50 2.08 -0.01 4.79 0.20 -0.55 -1.39 118.68 121.31 2azu s LEU 125 Ca 0.34 -0.31 -0.12 0.00 0.69 0.00 0.00 54.13 54.73 2azu s LEU 125 Cb -0.13 -0.65 0.01 0.00 -0.43 0.00 0.00 46.19 45.00 2azu s LEU 125 CO 0.27 0.12 0.24 0.28 -0.29 0.00 0.00 176.35 176.97 2azu s THR 126 N -0.49 0.07 0.32 3.68 -1.32 -0.90 -2.89 115.64 114.10 2azu s THR 126 Ca 0.04 -0.55 -0.27 0.00 -1.21 0.00 0.00 61.69 59.70 2azu s THR 126 Cb -0.06 -0.54 -0.09 0.00 -1.51 0.00 0.00 72.50 70.30 2azu s THR 126 CO 0.00 -0.30 1.00 -0.76 -2.21 0.00 0.00 174.62 172.35 2azu s LEU 127 N -1.32 4.39 0.00 9.08 1.43 -1.26 -0.86 118.68 130.14 2azu s LEU 127 Ca -0.14 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 2azu s LEU 127 Cb -0.06 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2azu s LEU 127 CO 0.03 -0.14 0.05 1.17 0.23 0.00 0.00 176.35 177.69