#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3azu n GLN 2 N 0.00 0.00 -2.15 0.00 7.27 -1.26 -1.62 117.38 119.62 3azu n GLN 2 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 3azu n GLN 2 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 3azu n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3azu s SER 4 N -3.60 -0.02 0.02 0.00 1.04 -0.64 -0.76 113.70 109.75 3azu s SER 4 Ca 0.49 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3azu s SER 4 Cb 0.40 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3azu s SER 4 CO -0.00 -0.56 -0.03 0.54 0.98 0.00 0.00 173.24 174.17 3azu s VAL 5 N -2.46 0.15 -0.15 5.02 0.11 -0.54 0.33 120.40 122.87 3azu s VAL 5 Ca -0.06 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3azu s VAL 5 Cb -0.01 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3azu s VAL 5 CO -0.03 -0.34 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.51 3azu s ASP 6 N -1.08 4.40 0.06 3.54 1.01 -1.26 -1.35 116.67 121.99 3azu s ASP 6 Ca -0.11 -0.23 0.10 0.00 0.71 0.00 0.00 52.55 53.01 3azu s ASP 6 Cb -0.07 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.13 3azu s ASP 6 CO -0.01 0.16 -0.26 -0.63 0.21 0.00 0.00 175.17 174.64 3azu s ILE 7 N 0.41 2.15 0.00 0.77 1.01 -0.08 -4.96 121.20 120.50 3azu s ILE 7 Ca -0.07 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.18 3azu s ILE 7 Cb -0.15 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3azu s ILE 7 CO 0.04 0.31 -0.18 -1.10 0.00 0.00 0.00 174.94 174.01 3azu s GLN 8 N -1.39 1.41 -0.10 2.79 -0.21 -1.26 -2.34 119.66 118.56 3azu s GLN 8 Ca 0.12 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.82 3azu s GLN 8 Cb -0.10 -1.40 -0.01 0.00 1.00 0.00 0.00 33.01 32.50 3azu s GLN 8 CO 0.03 0.38 -0.21 0.20 -2.12 0.00 0.00 175.29 173.57 3azu s GLY 9 N -0.64 1.39 0.39 3.09 0.00 -1.14 -1.23 107.32 109.18 3azu s GLY 9 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3azu s GLY 9 CO -0.00 -0.39 0.06 1.16 0.00 0.00 0.00 173.10 173.93 3azu n ASN 10 N 3.31 2.89 0.00 1.64 0.23 -0.15 -3.99 115.26 119.19 3azu n ASN 10 Ca -0.18 -2.61 0.08 0.00 -0.53 0.00 0.00 54.58 51.34 3azu n ASN 10 Cb 0.53 0.20 0.37 0.00 -2.08 0.00 0.00 39.78 38.80 3azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3azu n ASP 11 N -1.37 0.00 -1.83 0.53 8.00 -1.26 -2.04 116.55 118.58 3azu n ASP 11 Ca -0.13 0.36 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 3azu n ASP 11 Cb 0.48 -0.43 0.26 0.00 -0.02 0.00 0.00 41.12 41.40 3azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3azu n GLN 12 N -1.43 3.05 -3.54 -1.24 3.00 -1.26 -4.91 117.38 111.04 3azu n GLN 12 Ca 0.05 -3.07 -0.23 0.00 -0.01 0.00 0.00 57.00 53.75 3azu n GLN 12 Cb 0.17 -2.12 0.08 0.00 0.00 0.00 0.00 30.24 28.37 3azu n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3azu n MET 13 N -0.56 -7.61 -4.35 -1.09 1.56 -0.87 -5.00 117.12 99.21 3azu n MET 13 Ca 0.42 0.79 -0.19 0.00 -0.27 0.00 0.00 57.70 58.46 3azu n MET 13 Cb 1.36 -5.74 -0.14 0.00 2.15 0.00 0.00 33.22 30.85 3azu n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3azu s GLN 14 N -6.23 0.81 0.53 2.12 -0.21 -1.25 -4.23 119.66 111.19 3azu s GLN 14 Ca 0.54 -0.54 -0.07 0.00 0.02 0.00 0.00 55.36 55.32 3azu s GLN 14 Cb -0.24 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 3azu s GLN 14 CO 0.70 0.20 0.86 -0.06 -2.12 0.00 0.00 175.29 174.86 3azu s PHE 15 N -0.58 3.55 -2.37 0.91 0.08 -1.26 -0.98 117.98 117.34 3azu s PHE 15 Ca 0.01 0.92 0.27 0.00 0.12 0.00 0.00 56.93 58.26 3azu s PHE 15 Cb -0.06 -2.45 0.90 0.00 -0.57 0.00 0.00 43.02 40.84 3azu s PHE 15 CO 0.00 -0.43 1.66 0.27 -0.10 0.00 0.00 175.22 176.62 3azu n ASN 16 N -2.42 1.52 -3.74 1.36 6.94 -0.36 -4.86 115.26 113.71 3azu n ASN 16 Ca 0.02 -1.41 -0.13 0.00 -0.02 0.00 0.00 54.58 53.04 3azu n ASN 16 Cb 0.55 0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.91 3azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3azu s THR 17 N -2.12 0.01 -0.11 5.53 -1.32 -1.26 -4.99 115.64 111.38 3azu s THR 17 Ca 0.34 -0.06 0.09 0.00 -1.21 0.00 0.00 61.69 60.86 3azu s THR 17 Cb 0.20 -0.57 0.16 0.00 -1.51 0.00 0.00 72.50 70.79 3azu s THR 17 CO 0.38 -0.03 1.09 0.59 -2.21 0.00 0.00 174.62 174.44 3azu n ASN 18 N 2.65 2.28 -3.70 8.08 4.13 -1.26 -4.83 115.26 122.59 3azu n ASN 18 Ca -0.14 -2.50 -0.12 0.00 1.68 0.00 0.00 54.58 53.50 3azu n ASN 18 Cb 0.57 -0.22 -0.10 0.00 -1.54 0.00 0.00 39.78 38.50 3azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3azu s ALA 19 N -1.87 -1.16 -0.01 5.41 0.00 -1.26 -0.59 121.76 122.28 3azu s ALA 19 Ca 0.16 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3azu s ALA 19 Cb 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3azu s ALA 19 CO 0.02 -0.24 -0.06 0.42 0.00 0.00 0.00 175.76 175.90 3azu s ILE 20 N 0.68 0.53 -0.12 0.00 1.01 0.72 -4.93 121.20 119.09 3azu s ILE 20 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3azu s ILE 20 Cb -0.05 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3azu s ILE 20 CO -0.05 0.17 -0.17 -0.89 0.00 0.00 0.00 174.94 174.00 3azu s THR 21 N 0.08 2.72 -0.25 2.92 2.01 -1.26 -2.06 115.64 119.80 3azu s THR 21 Ca -0.01 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 3azu s THR 21 Cb -0.05 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3azu s THR 21 CO -0.00 0.54 0.02 -0.69 -0.69 0.00 0.00 174.62 173.80 3azu s VAL 22 N 0.36 3.80 0.19 3.82 1.01 -0.79 -4.94 120.40 123.85 3azu s VAL 22 Ca -0.13 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3azu s VAL 22 Cb -0.17 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3azu s VAL 22 CO 0.07 0.31 1.33 -0.62 0.00 0.00 0.00 175.10 176.19 3azu s ASP 23 N 1.52 6.87 0.64 3.32 -1.08 -1.26 -1.22 116.67 125.46 3azu s ASP 23 Ca 0.05 2.41 0.42 0.00 -0.52 0.00 0.00 52.55 54.91 3azu s ASP 23 Cb -0.15 -2.61 2.29 0.00 -1.46 0.00 0.00 42.92 40.99 3azu s ASP 23 CO 0.00 -0.56 2.29 0.50 0.52 0.00 0.00 175.17 177.92 3azu h LYS 24 N 5.57 0.00 0.00 4.34 3.64 -1.94 -0.33 116.57 127.84 3azu h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3azu h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3azu h LYS 24 CO 0.79 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.84 3azu n SER 25 N -3.00 0.00 -4.70 4.20 3.41 -1.26 -4.73 113.62 107.54 3azu n SER 25 Ca -0.03 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 3azu n SER 25 Cb 0.08 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 3azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3azu h LYS 27 N 7.05 0.49 -5.42 0.00 1.57 -1.87 -3.42 116.57 114.97 3azu h LYS 27 Ca -0.37 -0.85 -0.46 0.00 -1.87 0.00 0.00 60.65 57.10 3azu h LYS 27 Cb 1.19 0.31 -0.25 0.00 0.08 0.00 0.00 32.23 33.57 3azu h LYS 27 CO 0.82 1.40 -0.80 -0.65 -0.57 0.00 0.00 179.45 179.66 3azu s GLN 28 N -2.58 0.99 0.02 3.15 -0.21 -1.26 -0.54 119.66 119.22 3azu s GLN 28 Ca -0.11 -0.79 0.08 0.00 0.02 0.00 0.00 55.36 54.56 3azu s GLN 28 Cb 0.04 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.02 3azu s GLN 28 CO 0.92 0.25 -0.24 0.12 -2.12 0.00 0.00 175.29 174.22 3azu s PHE 29 N -0.87 2.13 -0.16 0.91 5.36 -0.20 -4.84 117.98 120.31 3azu s PHE 29 Ca 0.02 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3azu s PHE 29 Cb -0.08 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.31 3azu s PHE 29 CO 0.01 0.06 -0.19 0.99 -1.46 0.00 0.00 175.22 174.64 3azu s THR 30 N -0.72 1.92 -0.23 0.12 2.01 0.06 -0.86 115.64 117.95 3azu s THR 30 Ca 0.10 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 3azu s THR 30 Cb -0.09 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 3azu s THR 30 CO 0.01 0.52 0.13 -0.69 -0.69 0.00 0.00 174.62 173.90 3azu s VAL 31 N 1.22 5.14 -0.23 3.82 1.01 -0.57 -1.46 120.40 129.32 3azu s VAL 31 Ca 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 3azu s VAL 31 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3azu s VAL 31 CO -0.10 0.38 0.02 0.20 0.00 0.00 0.00 175.10 175.60 3azu s ASN 32 N 0.91 4.80 -0.11 3.32 0.01 -0.46 -2.03 114.94 121.38 3azu s ASN 32 Ca 0.06 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 3azu s ASN 32 Cb -0.13 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 3azu s ASN 32 CO 0.03 -0.01 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.35 3azu s LEU 33 N 1.44 3.29 0.08 0.60 2.96 0.13 -0.90 118.68 126.28 3azu s LEU 33 Ca 0.05 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3azu s LEU 33 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3azu s LEU 33 CO 0.01 0.29 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.31 3azu s SER 34 N -0.35 1.09 -0.34 3.68 1.04 -0.99 -1.28 113.70 116.55 3azu s SER 34 Ca 0.06 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.67 3azu s SER 34 Cb -0.12 0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.16 3azu s SER 34 CO 0.02 -0.37 0.05 -1.58 0.98 0.00 0.00 173.24 172.34 3azu s GLN 35 N -3.08 1.44 0.00 4.02 -0.44 -1.08 -2.87 119.66 117.65 3azu s GLN 35 Ca 0.05 -1.81 0.09 0.00 -2.50 0.00 0.00 55.36 51.19 3azu s GLN 35 Cb 0.00 -3.12 0.57 0.00 -1.64 0.00 0.00 33.01 28.82 3azu s GLN 35 CO -0.03 -0.93 1.10 -0.35 0.50 0.00 0.00 175.29 175.58 3azu n PRO 36 N 4.30 0.66 -0.84 1.67 -0.04 -1.26 -1.23 135.00 138.26 3azu n PRO 36 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3azu n PRO 36 Cb 0.42 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3azu n GLY 37 N 0.23 2.38 0.29 0.55 0.00 -1.26 -4.94 105.19 102.43 3azu n GLY 37 Ca 0.07 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 44.01 3azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3azu n ASN 38 N -2.01 1.91 -4.88 1.61 4.13 -1.26 -4.15 115.26 110.60 3azu n ASN 38 Ca 0.00 -1.55 -0.33 0.00 1.68 0.00 0.00 54.58 54.38 3azu n ASN 38 Cb 0.00 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.14 3azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3azu s LEU 39 N -0.70 4.30 0.68 3.41 1.43 -1.26 -4.92 118.68 121.62 3azu s LEU 39 Ca 0.09 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 3azu s LEU 39 Cb 0.06 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 43.14 3azu s LEU 39 CO 0.08 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.70 3azu s PRO 40 N -2.25 2.76 0.47 1.29 0.04 -1.26 -2.67 135.00 133.37 3azu s PRO 40 Ca 0.37 1.26 0.22 0.00 0.04 0.00 0.00 61.00 62.89 3azu s PRO 40 Cb -0.13 -1.95 1.16 0.00 0.04 0.00 0.00 34.50 33.62 3azu s PRO 40 CO 0.21 -1.26 1.98 1.57 0.04 0.00 0.00 177.00 179.53 3azu h LYS 41 N -0.27 0.00 0.00 4.56 2.10 -1.87 -0.88 116.57 120.21 3azu h LYS 41 Ca -0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 3azu h LYS 41 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3azu h LYS 41 CO 0.54 0.20 -0.08 -2.95 -2.00 0.00 0.00 179.45 175.16 3azu h ASN 42 N 0.00 0.00 0.00 7.07 7.08 -1.95 -1.54 115.58 126.24 3azu h ASN 42 Ca -0.00 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.78 3azu h ASN 42 Cb 0.45 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.63 3azu h ASN 42 CO 0.03 0.08 -2.50 0.52 -2.08 0.00 0.00 177.43 173.48 3azu n VAL 43 N -3.35 1.52 -2.74 6.14 0.31 -0.70 -4.81 118.33 114.71 3azu n VAL 43 Ca -0.01 -0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 63.85 3azu n VAL 43 Cb 0.26 -1.75 0.05 0.00 -0.91 0.00 0.00 33.84 31.49 3azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3azu n MET 44 N -3.95 1.94 -2.42 5.55 0.00 -0.42 -5.05 117.12 112.77 3azu n MET 44 Ca -0.51 -3.58 -0.38 0.00 0.00 0.00 0.00 57.70 53.22 3azu n MET 44 Cb 0.92 -1.68 -0.03 0.00 0.00 0.00 0.00 33.22 32.42 3azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3azu s GLY 45 N -3.76 2.83 0.09 -5.12 0.00 -0.58 -4.79 107.32 95.99 3azu s GLY 45 Ca 0.30 0.84 0.05 0.00 0.00 0.00 0.00 44.72 45.91 3azu s GLY 45 CO -0.03 1.32 -0.14 0.30 0.00 0.00 0.00 173.10 174.56 3azu s HIS 46 N -1.50 1.27 0.23 1.90 3.76 -0.93 -4.68 115.29 115.34 3azu s HIS 46 Ca 0.56 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 3azu s HIS 46 Cb -0.27 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 3azu s HIS 46 CO 0.34 0.08 0.21 0.54 -0.85 0.00 0.00 174.74 175.06 3azu s ASN 47 N -2.11 0.39 -0.23 1.40 2.20 -1.26 -1.26 114.94 114.07 3azu s ASN 47 Ca 0.03 -1.40 0.02 0.00 -0.94 0.00 0.00 52.86 50.58 3azu s ASN 47 Cb -0.07 0.44 0.05 0.00 -2.00 0.00 0.00 41.25 39.67 3azu s ASN 47 CO 0.02 -0.93 -0.13 0.86 -2.94 0.00 0.00 177.10 173.98 3azu s TRP 48 N -3.98 3.00 0.05 1.54 -0.00 -1.26 -3.93 118.94 114.35 3azu s TRP 48 Ca 0.37 -2.04 0.07 0.00 -0.00 0.00 0.00 56.10 54.50 3azu s TRP 48 Cb 0.05 -1.88 -0.03 0.00 -0.00 0.00 0.00 33.47 31.61 3azu s TRP 48 CO 0.14 -0.84 -0.15 0.08 -0.00 0.00 0.00 176.95 176.18 3azu s VAL 49 N 1.20 2.99 -0.06 5.86 1.01 -0.06 -1.08 120.40 130.25 3azu s VAL 49 Ca -0.04 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.82 3azu s VAL 49 Cb -0.18 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3azu s VAL 49 CO -0.08 0.30 -0.17 -0.22 0.00 0.00 0.00 175.10 174.93 3azu s LEU 50 N -1.58 1.88 0.00 3.92 2.96 -0.57 -1.61 118.68 123.68 3azu s LEU 50 Ca 0.16 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3azu s LEU 50 Cb -0.11 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.56 3azu s LEU 50 CO 0.07 0.12 0.49 -1.54 -1.32 0.00 0.00 176.35 174.17 3azu n SER 51 N 3.41 -1.36 -4.82 3.68 3.41 -0.76 -1.13 113.62 116.05 3azu n SER 51 Ca -0.20 -2.82 -0.31 0.00 -0.26 0.00 0.00 58.87 55.28 3azu n SER 51 Cb 0.53 2.52 0.06 0.00 -0.26 0.00 0.00 64.21 67.06 3azu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3azu s THR 52 N -2.77 3.85 0.25 6.66 -4.23 -1.26 -0.86 115.64 117.28 3azu s THR 52 Ca 0.28 0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 3azu s THR 52 Cb -0.01 -3.34 0.24 0.00 1.34 0.00 0.00 72.50 70.73 3azu s THR 52 CO 0.20 -0.79 1.89 0.00 -0.54 0.00 0.00 174.62 175.38 3azu h ALA 53 N -0.79 1.26 -0.63 3.99 0.00 -1.36 -2.68 119.26 119.05 3azu h ALA 53 Ca -0.44 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3azu h ALA 53 Cb 1.22 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3azu h ALA 53 CO 0.57 0.46 0.33 0.00 0.00 0.00 0.00 179.25 180.61 3azu h ALA 54 N 1.40 0.83 0.00 0.00 0.00 -1.93 -2.71 119.26 116.85 3azu h ALA 54 Ca 0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3azu h ALA 54 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3azu h ALA 54 CO -0.13 -0.01 -0.07 -0.25 0.00 0.00 0.00 179.25 178.78 3azu n ASP 55 N -4.83 0.77 -0.23 0.00 8.00 -1.03 -4.42 116.55 114.81 3azu n ASP 55 Ca 0.08 0.52 0.01 0.00 0.71 0.00 0.00 54.79 56.10 3azu n ASP 55 Cb 0.18 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.69 3azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3azu h MET 56 N 0.00 0.02 -0.89 -1.24 4.05 -1.21 -0.90 114.93 114.76 3azu h MET 56 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3azu h MET 56 Cb 0.73 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.48 3azu h MET 56 CO 0.00 0.02 0.54 1.96 0.23 0.00 0.00 176.91 179.66 3azu h GLN 57 N 0.02 1.21 -0.42 0.39 1.08 -1.79 -0.44 115.11 115.15 3azu h GLN 57 Ca 0.33 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.37 3azu h GLN 57 Cb 0.52 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3azu h GLN 57 CO -0.66 0.84 0.02 0.78 -0.95 0.00 0.00 178.83 178.86 3azu h GLY 58 N 1.24 0.79 0.85 3.46 0.00 -1.49 -1.48 103.07 106.43 3azu h GLY 58 Ca 0.32 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3azu h GLY 58 CO -0.06 0.52 0.04 -2.08 0.00 0.00 0.00 176.54 174.96 3azu h VAL 59 N 0.57 1.22 -0.24 4.60 2.07 -0.90 -1.49 116.25 122.09 3azu h VAL 59 Ca 0.12 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3azu h VAL 59 Cb 0.45 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3azu h VAL 59 CO 0.02 0.23 0.15 0.58 0.02 0.00 0.00 177.57 178.57 3azu h VAL 60 N 0.16 1.07 0.32 2.57 2.07 -1.01 0.28 116.25 121.71 3azu h VAL 60 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3azu h VAL 60 Cb 0.30 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3azu h VAL 60 CO 0.00 0.07 -0.20 0.74 0.02 0.00 0.00 177.57 178.21 3azu h THR 61 N 0.31 0.59 0.00 2.57 2.02 -1.22 -0.88 112.91 116.30 3azu h THR 61 Ca 0.09 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 3azu h THR 61 Cb -0.02 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3azu h THR 61 CO -0.02 0.00 -0.20 0.44 0.37 0.00 0.00 175.52 176.11 3azu h ASP 62 N -0.49 0.00 -0.00 4.18 5.19 -1.19 -3.07 116.42 121.04 3azu h ASP 62 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3azu h ASP 62 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3azu h ASP 62 CO 0.03 0.20 -0.00 1.23 -3.12 0.00 0.00 179.24 177.57 3azu h GLY 63 N 1.31 0.01 2.00 2.75 0.00 -0.53 -3.14 103.07 105.46 3azu h GLY 63 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3azu h GLY 63 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3azu h MET 64 N -0.55 0.00 0.00 4.80 -0.00 -1.08 -1.13 114.93 116.98 3azu h MET 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3azu h MET 64 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 3azu h MET 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 3azu h ALA 65 N 2.23 1.00 0.00 -3.00 0.00 -1.51 -3.30 119.26 114.67 3azu h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3azu h ALA 65 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3azu h ALA 65 CO 0.00 0.00 -0.76 0.77 0.00 0.00 0.00 179.25 179.26 3azu h SER 66 N 0.00 0.00 -4.03 0.00 0.02 -1.16 -3.51 113.55 104.88 3azu h SER 66 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3azu h SER 66 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3azu h SER 66 CO 0.00 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 3azu n GLY 67 N 1.23 -2.02 0.21 -3.77 0.00 -1.25 -4.12 105.19 95.47 3azu n GLY 67 Ca 0.02 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 3azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3azu h LEU 68 N 0.00 -0.13 -2.22 0.99 6.46 -1.93 -0.00 115.31 118.48 3azu h LEU 68 Ca 0.00 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3azu h LEU 68 Cb 0.00 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3azu h LEU 68 CO 0.00 -0.04 0.07 -2.24 -0.62 0.00 0.00 178.44 175.61 3azu h ASP 69 N 0.17 0.00 -0.70 1.25 2.03 -2.02 -0.37 116.42 116.77 3azu h ASP 69 Ca 0.27 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.40 3azu h ASP 69 Cb 0.39 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.79 3azu h ASP 69 CO -0.40 0.00 0.21 0.29 -1.03 0.00 0.00 179.24 178.31 3azu n LYS 70 N -4.13 3.98 -1.75 4.15 4.01 -0.16 -4.93 118.16 119.34 3azu n LYS 70 Ca -0.01 -3.12 -0.14 0.00 -0.51 0.00 0.00 58.31 54.54 3azu n LYS 70 Cb 0.17 -2.23 -0.04 0.00 -0.51 0.00 0.00 35.03 32.43 3azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3azu n ASP 71 N 0.00 -3.82 -3.69 4.39 8.00 -0.15 -1.78 116.55 119.50 3azu n ASP 71 Ca 0.38 0.28 -0.27 0.00 0.71 0.00 0.00 54.79 55.88 3azu n ASP 71 Cb 1.35 -3.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.05 3azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3azu n TYR 72 N -2.45 -2.33 -4.07 1.24 4.01 -0.37 -4.71 117.16 108.47 3azu n TYR 72 Ca -0.15 0.84 -0.15 0.00 -0.16 0.00 0.00 57.90 58.28 3azu n TYR 72 Cb 0.51 -4.14 -0.15 0.00 -0.31 0.00 0.00 39.34 35.26 3azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3azu s LEU 73 N -7.14 1.90 -0.04 7.72 1.43 -0.73 -4.09 118.68 117.72 3azu s LEU 73 Ca 0.59 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 3azu s LEU 73 Cb -0.29 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 3azu s LEU 73 CO 0.72 0.03 1.15 -0.75 0.23 0.00 0.00 176.35 177.73 3azu s LYS 74 N 0.06 4.39 0.39 1.70 2.20 -1.26 -4.87 119.74 122.36 3azu s LYS 74 Ca -0.00 1.62 -0.27 0.00 -0.36 0.00 0.00 55.97 56.95 3azu s LYS 74 Cb -0.03 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3azu s LYS 74 CO -0.00 -0.37 1.45 -0.35 -0.36 0.00 0.00 175.35 175.72 3azu n PRO 75 N 4.88 2.49 -2.35 4.03 -0.04 -1.26 -2.75 135.00 139.99 3azu n PRO 75 Ca 0.10 0.88 -0.18 0.00 -0.04 0.00 0.00 63.50 64.25 3azu n PRO 75 Cb 0.47 -2.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.30 3azu n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3azu n ASP 76 N 0.32 -5.27 -4.64 3.54 8.00 -1.26 -4.89 116.55 112.35 3azu n ASP 76 Ca 0.03 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 3azu n ASP 76 Cb 0.39 -4.43 -0.02 0.00 -0.02 0.00 0.00 41.12 37.04 3azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3azu s ASP 77 N -2.08 6.61 0.00 -2.24 -1.08 -1.11 -4.86 116.67 111.90 3azu s ASP 77 Ca 0.00 1.60 0.26 0.00 -0.52 0.00 0.00 52.55 53.89 3azu s ASP 77 Cb 0.00 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.37 3azu s ASP 77 CO 0.00 -1.07 1.88 -1.20 0.52 0.00 0.00 175.17 175.30 3azu n SER 78 N 7.70 0.00 0.03 -0.34 7.64 -1.26 -2.78 113.62 124.61 3azu n SER 78 Ca 0.17 -0.55 0.12 0.00 1.01 0.00 0.00 58.87 59.61 3azu n SER 78 Cb 0.45 -0.10 0.13 0.00 -1.01 0.00 0.00 64.21 63.69 3azu n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3azu n ARG 79 N -1.10 0.20 -3.13 1.43 1.74 -1.26 -4.86 116.66 109.68 3azu n ARG 79 Ca 0.17 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 3azu n ARG 79 Cb 0.13 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 3azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3azu s VAL 80 N -3.12 5.04 -0.01 1.55 1.01 -1.12 -4.45 120.40 119.30 3azu s VAL 80 Ca 0.07 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.30 3azu s VAL 80 Cb 0.15 -3.94 -0.24 0.00 0.00 0.00 0.00 36.38 32.35 3azu s VAL 80 CO 0.75 0.15 0.81 0.40 0.00 0.00 0.00 175.10 177.21 3azu h ILE 81 N 5.07 1.07 -2.07 2.22 2.04 -1.46 -3.48 117.51 120.90 3azu h ILE 81 Ca -0.34 -2.84 0.03 0.00 1.00 0.00 0.00 64.86 62.72 3azu h ILE 81 Cb 1.15 2.59 -0.18 0.00 -0.74 0.00 0.00 36.82 39.64 3azu h ILE 81 CO 0.77 0.70 0.39 0.00 0.00 0.00 0.00 178.15 180.00 3azu s ALA 82 N -2.62 -1.81 -0.01 1.87 0.00 -1.26 -4.98 121.76 112.95 3azu s ALA 82 Ca -0.06 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3azu s ALA 82 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.28 3azu s ALA 82 CO 0.83 -0.49 0.69 -3.38 0.00 0.00 0.00 175.76 173.40 3azu s HIS 83 N -2.02 -0.61 0.30 0.00 -3.43 -1.26 -1.51 115.29 106.76 3azu s HIS 83 Ca -0.02 0.91 -0.00 0.00 -0.80 0.00 0.00 55.06 55.14 3azu s HIS 83 Cb -0.01 0.45 0.06 0.00 -1.43 0.00 0.00 32.58 31.65 3azu s HIS 83 CO -0.01 -0.65 0.41 0.25 -2.00 0.00 0.00 174.74 172.75 3azu n THR 84 N 0.59 0.00 -2.33 -5.38 -2.24 -0.24 -4.83 114.28 99.85 3azu n THR 84 Ca -0.18 -0.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.72 3azu n THR 84 Cb 0.59 -1.20 0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3azu s LYS 85 N -3.51 1.82 -0.22 -0.78 1.02 -1.26 -4.72 119.74 112.09 3azu s LYS 85 Ca 0.27 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 3azu s LYS 85 Cb -0.01 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 3azu s LYS 85 CO 0.18 -1.43 0.49 -1.17 -0.92 0.00 0.00 175.35 172.49 3azu s LEU 86 N -5.26 4.11 0.23 3.17 2.96 -1.26 -4.41 118.68 118.22 3azu s LEU 86 Ca 0.64 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 55.21 3azu s LEU 86 Cb -0.08 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3azu s LEU 86 CO 0.45 -0.19 -0.00 0.27 -1.32 0.00 0.00 176.35 175.55 3azu s ILE 87 N 1.80 3.54 0.23 6.68 -4.36 -0.39 -4.90 121.20 123.81 3azu s ILE 87 Ca 0.22 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3azu s ILE 87 Cb -0.15 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.72 3azu s ILE 87 CO 0.09 -0.27 0.11 0.61 0.24 0.00 0.00 174.94 175.72 3azu n GLY 88 N -0.59 3.29 3.58 6.27 0.00 -1.26 -2.18 105.19 114.30 3azu n GLY 88 Ca -0.08 -2.25 -0.50 0.00 0.00 0.00 0.00 46.02 43.19 3azu n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3azu n SER 89 N -1.63 1.42 0.00 1.61 3.41 -1.09 -2.05 113.62 115.29 3azu n SER 89 Ca -0.04 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 3azu n SER 89 Cb 0.28 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 3azu n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3azu n GLY 90 N 2.23 2.98 3.89 5.00 0.00 -0.36 -4.99 105.19 113.93 3azu n GLY 90 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3azu s GLU 91 N -0.02 3.05 0.05 1.61 2.02 -0.87 -4.87 118.70 119.67 3azu s GLU 91 Ca 0.00 0.46 -0.03 0.00 0.02 0.00 0.00 54.97 55.41 3azu s GLU 91 Cb 0.00 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 3azu s GLU 91 CO 0.00 -0.86 0.04 0.15 0.02 0.00 0.00 175.26 174.61 3azu s LYS 92 N -5.25 0.63 -0.28 1.61 1.02 -1.26 -2.63 119.74 113.58 3azu s LYS 92 Ca 0.57 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.31 3azu s LYS 92 Cb -0.11 0.23 0.09 0.00 -0.52 0.00 0.00 37.83 37.52 3azu s LYS 92 CO 0.51 -0.15 0.80 0.34 -0.92 0.00 0.00 175.35 175.94 3azu s ASP 93 N -2.62 -0.69 0.20 2.83 2.15 -0.41 -5.00 116.67 113.13 3azu s ASP 93 Ca 0.02 1.29 0.11 0.00 0.43 0.00 0.00 52.55 54.40 3azu s ASP 93 Cb 0.04 1.30 -0.04 0.00 -0.30 0.00 0.00 42.92 43.92 3azu s ASP 93 CO -0.08 -0.22 -0.23 -0.44 -0.17 0.00 0.00 175.17 174.03 3azu s SER 94 N 0.57 3.38 -0.07 -0.34 0.01 -1.26 -0.70 113.70 115.29 3azu s SER 94 Ca -0.01 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.34 3azu s SER 94 Cb -0.05 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.97 3azu s SER 94 CO -0.04 0.10 0.15 0.54 0.41 0.00 0.00 173.24 174.40 3azu s VAL 95 N -1.77 -0.12 -0.11 3.43 0.11 -0.86 -4.96 120.40 116.12 3azu s VAL 95 Ca 0.21 0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 3azu s VAL 95 Cb -0.07 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3azu s VAL 95 CO 0.10 0.10 0.14 -0.89 -3.33 0.00 0.00 175.10 171.22 3azu s THR 96 N 1.52 5.48 0.17 5.04 2.01 -1.26 -1.51 115.64 127.09 3azu s THR 96 Ca -0.05 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3azu s THR 96 Cb -0.12 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3azu s THR 96 CO -0.06 0.61 -0.03 0.72 -0.69 0.00 0.00 174.62 175.17 3azu s PHE 97 N -1.04 1.28 -0.20 4.92 -0.12 -0.04 -4.95 117.98 117.83 3azu s PHE 97 Ca 0.15 -0.93 -0.21 0.00 -0.05 0.00 0.00 56.93 55.90 3azu s PHE 97 Cb -0.12 -0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 3azu s PHE 97 CO 0.05 -0.10 0.62 0.34 -0.05 0.00 0.00 175.22 176.08 3azu s ASP 98 N -3.19 6.67 0.57 1.98 2.15 -1.26 -1.04 116.67 122.55 3azu s ASP 98 Ca 0.22 0.82 0.31 0.00 0.43 0.00 0.00 52.55 54.33 3azu s ASP 98 Cb 0.05 -2.34 1.72 0.00 -0.30 0.00 0.00 42.92 42.05 3azu s ASP 98 CO 0.04 -0.27 2.18 0.58 -0.17 0.00 0.00 175.17 177.53 3azu h VAL 99 N 5.18 0.46 0.00 1.11 2.07 -1.07 -1.19 116.25 122.81 3azu h VAL 99 Ca -0.31 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3azu h VAL 99 Cb 1.14 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3azu h VAL 99 CO 0.77 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.87 3azu n SER 100 N -3.63 0.00 -0.05 0.57 3.41 -1.26 -1.49 113.62 111.17 3azu n SER 100 Ca -0.02 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3azu n SER 100 Cb 0.16 -0.41 0.40 0.00 -0.26 0.00 0.00 64.21 64.09 3azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3azu n LYS 101 N -1.41 0.20 -4.03 4.33 5.02 -0.45 -4.84 118.16 116.97 3azu n LYS 101 Ca 0.01 -0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 3azu n LYS 101 Cb 0.03 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 3azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3azu s LEU 102 N -2.87 3.95 0.21 -0.35 1.43 -0.56 -5.12 118.68 115.38 3azu s LEU 102 Ca 0.16 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3azu s LEU 102 Cb 0.18 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3azu s LEU 102 CO 0.61 0.10 -0.05 -1.59 0.23 0.00 0.00 176.35 175.64 3azu s LYS 103 N -2.92 1.27 0.15 1.70 -2.85 -1.26 -5.02 119.74 110.82 3azu s LYS 103 Ca 0.32 -1.61 -0.30 0.00 -1.00 0.00 0.00 55.97 53.38 3azu s LYS 103 Cb -0.11 -0.72 -0.07 0.00 -2.06 0.00 0.00 37.83 34.87 3azu s LYS 103 CO 0.24 -0.01 1.04 -2.00 0.10 0.00 0.00 175.35 174.73 3azu s GLU 104 N -3.79 4.64 0.00 1.78 2.56 -1.26 -3.09 118.70 119.54 3azu s GLU 104 Ca 0.24 1.61 0.00 0.00 0.00 0.00 0.00 54.97 56.82 3azu s GLU 104 Cb 0.04 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.86 3azu s GLU 104 CO 0.06 0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.32 3azu n GLY 105 N 2.11 0.69 3.55 -1.50 0.00 -1.26 -5.07 105.19 103.70 3azu n GLY 105 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3azu s GLU 106 N -0.71 2.48 -0.26 1.61 2.12 -1.18 -5.09 118.70 117.66 3azu s GLU 106 Ca 0.00 -0.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.37 3azu s GLU 106 Cb 0.00 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.94 3azu s GLU 106 CO 0.00 0.60 0.66 -1.14 -0.54 0.00 0.00 175.26 174.85 3azu s GLN 107 N -1.24 4.08 0.15 4.30 2.00 -1.26 -4.69 119.66 123.01 3azu s GLN 107 Ca 0.15 0.57 0.09 0.00 -2.00 0.00 0.00 55.36 54.17 3azu s GLN 107 Cb -0.11 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 3azu s GLN 107 CO 0.05 -0.46 -0.16 0.71 -0.50 0.00 0.00 175.29 174.92 3azu s TYR 108 N 2.59 2.52 -0.01 1.67 2.02 -1.02 -1.02 117.35 124.10 3azu s TYR 108 Ca 0.27 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 3azu s TYR 108 Cb -0.15 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3azu s TYR 108 CO 0.09 0.45 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.69 3azu s MET 109 N -2.47 1.49 0.11 -0.62 -1.94 -0.04 -0.92 119.30 114.91 3azu s MET 109 Ca 0.21 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.57 3azu s MET 109 Cb -0.09 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.26 3azu s MET 109 CO 0.12 0.40 0.04 -0.59 -0.01 0.00 0.00 175.02 174.97 3azu s PHE 110 N -0.44 3.05 0.18 -0.03 -0.12 0.38 -1.82 117.98 119.18 3azu s PHE 110 Ca 0.07 -0.01 -0.24 0.00 -0.05 0.00 0.00 56.93 56.71 3azu s PHE 110 Cb -0.07 -1.54 0.05 0.00 -0.63 0.00 0.00 43.02 40.83 3azu s PHE 110 CO -0.01 0.50 0.80 -0.59 -0.05 0.00 0.00 175.22 175.87 3azu s PHE 111 N -1.43 -0.25 -0.19 3.49 -0.71 -0.63 -1.13 117.98 117.14 3azu s PHE 111 Ca 0.28 -0.08 -0.09 0.00 -1.04 0.00 0.00 56.93 56.00 3azu s PHE 111 Cb -0.11 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3azu s PHE 111 CO 0.20 -0.95 0.10 0.00 -1.34 0.00 0.00 175.22 173.23 3azu n THR 113 N 3.43 0.21 -1.84 0.00 -2.24 -1.26 -3.25 114.28 109.32 3azu n THR 113 Ca -0.16 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 3azu n THR 113 Cb 0.52 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 3azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3azu s PHE 114 N -1.79 2.89 -0.39 4.78 2.19 -1.26 -4.22 117.98 120.19 3azu s PHE 114 Ca 0.34 0.72 -0.42 0.00 0.33 0.00 0.00 56.93 57.90 3azu s PHE 114 Cb 0.20 -4.01 -0.17 0.00 -1.31 0.00 0.00 43.02 37.73 3azu s PHE 114 CO 0.30 -3.51 1.82 -2.30 1.83 0.00 0.00 175.22 173.36 3azu n PRO 115 N 2.88 0.62 0.00 10.12 -0.02 -1.26 -1.12 135.00 146.22 3azu n PRO 115 Ca 0.10 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3azu n PRO 115 Cb 0.38 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3azu n GLY 116 N 4.95 3.23 0.24 -1.23 0.00 -1.26 -4.90 105.19 106.22 3azu n GLY 116 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3azu h HIS 117 N 0.00 0.37 0.00 1.61 3.86 -1.39 -2.73 115.15 116.88 3azu h HIS 117 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3azu h HIS 117 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3azu h HIS 117 CO 0.00 0.49 0.00 -1.13 0.86 0.00 0.00 177.93 178.15 3azu n SER 118 N -4.23 0.49 -0.25 2.45 3.41 -1.20 -0.38 113.62 113.91 3azu n SER 118 Ca -0.00 0.72 -0.05 0.00 -0.26 0.00 0.00 58.87 59.27 3azu n SER 118 Cb 0.30 -0.78 0.05 0.00 -0.26 0.00 0.00 64.21 63.52 3azu n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3azu h ALA 119 N 2.02 0.87 0.00 7.33 0.00 -1.84 -3.32 119.26 124.32 3azu h ALA 119 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3azu h ALA 119 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3azu h ALA 119 CO 0.00 0.33 -1.94 1.28 0.00 0.00 0.00 179.25 178.92 3azu n LEU 120 N -4.57 0.00 -4.13 0.00 4.77 -0.75 -4.77 117.00 107.56 3azu n LEU 120 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3azu n LEU 120 Cb 0.04 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3azu n LEU 120 CO 0.36 0.27 1.37 0.23 -1.33 0.00 0.00 177.39 178.29 3azu n MET 121 N -2.41 3.80 -3.84 3.23 2.81 0.49 -4.67 117.12 116.52 3azu n MET 121 Ca -0.18 -4.08 -0.09 0.00 -1.81 0.00 0.00 57.70 51.53 3azu n MET 121 Cb 0.83 -2.76 -0.07 0.00 -0.71 0.00 0.00 33.22 30.51 3azu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3azu s LYS 122 N -0.61 0.83 0.05 0.03 -2.85 -1.26 -2.12 119.74 113.82 3azu s LYS 122 Ca 0.36 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 54.15 3azu s LYS 122 Cb 0.02 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.22 3azu s LYS 122 CO 0.02 -0.26 1.09 0.20 0.10 0.00 0.00 175.35 176.49 3azu s GLY 123 N -2.74 -0.32 0.14 0.59 0.00 -0.28 -4.71 107.32 100.00 3azu s GLY 123 Ca 0.03 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.15 3azu s GLY 123 CO -0.10 0.11 0.49 -0.51 0.00 0.00 0.00 173.10 173.09 3azu s THR 124 N -2.90 4.97 -0.07 0.90 -4.23 0.25 -0.47 115.64 114.09 3azu s THR 124 Ca 0.12 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.21 3azu s THR 124 Cb 0.01 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3azu s THR 124 CO -0.01 0.18 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.96 3azu s LEU 125 N -2.17 1.25 0.03 4.79 0.20 -0.10 -0.20 118.68 122.47 3azu s LEU 125 Ca 0.38 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.03 3azu s LEU 125 Cb -0.14 -0.64 -0.02 0.00 -0.43 0.00 0.00 46.19 44.97 3azu s LEU 125 CO 0.20 -0.07 -0.11 0.42 -0.29 0.00 0.00 176.35 176.50 3azu s THR 126 N 1.23 0.83 0.13 3.68 -4.23 -0.88 -2.44 115.64 113.96 3azu s THR 126 Ca -0.05 -0.81 -0.27 0.00 -1.18 0.00 0.00 61.69 59.38 3azu s THR 126 Cb -0.14 -0.77 -0.07 0.00 1.34 0.00 0.00 72.50 72.87 3azu s THR 126 CO -0.02 -0.03 0.85 -0.22 -0.54 0.00 0.00 174.62 174.66 3azu s LEU 127 N -0.94 4.54 0.00 4.79 2.96 -1.26 -1.88 118.68 126.88 3azu s LEU 127 Ca -0.01 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 3azu s LEU 127 Cb -0.07 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3azu s LEU 127 CO 0.01 0.08 0.00 0.29 -1.32 0.00 0.00 176.35 175.40