#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 -1.16 0.00 -0.00 -1.26 -2.43 117.38 112.53 3azu n GLN 2 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.74 3azu n GLN 2 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 30.24 30.29 3azu n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3azu s SER 4 N -0.63 -0.33 -0.00 0.00 1.04 -1.02 -1.71 113.70 111.05 3azu s SER 4 Ca 0.47 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.38 3azu s SER 4 Cb 0.37 0.59 0.02 0.00 0.10 0.00 0.00 66.02 67.10 3azu s SER 4 CO -0.05 -1.05 0.32 0.54 0.98 0.00 0.00 173.24 173.99 3azu s VAL 5 N -3.84 0.06 -0.23 5.02 0.11 -0.54 -1.09 120.40 119.89 3azu s VAL 5 Ca 0.07 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.57 3azu s VAL 5 Cb -0.01 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3azu s VAL 5 CO -0.05 -0.28 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.61 3azu s ASP 6 N -1.49 4.43 0.11 3.54 1.11 -1.26 -1.13 116.67 121.98 3azu s ASP 6 Ca -0.12 -0.38 0.09 0.00 0.18 0.00 0.00 52.55 52.33 3azu s ASP 6 Cb -0.04 -1.77 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 3azu s ASP 6 CO 0.03 -0.03 -0.21 -0.63 1.18 0.00 0.00 175.17 175.51 3azu s ILE 7 N 1.50 2.61 -0.13 0.77 1.01 0.14 -4.96 121.20 122.13 3azu s ILE 7 Ca 0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.07 3azu s ILE 7 Cb -0.14 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.21 3azu s ILE 7 CO -0.02 0.13 0.33 0.00 0.00 0.00 0.00 174.94 175.38 3azu s GLN 8 N -2.00 0.33 0.12 2.79 -2.07 -1.26 -1.40 119.66 116.18 3azu s GLN 8 Ca 0.16 0.60 -0.07 0.00 -1.82 0.00 0.00 55.36 54.23 3azu s GLN 8 Cb -0.10 0.01 -0.06 0.00 -1.09 0.00 0.00 33.01 31.77 3azu s GLN 8 CO 0.08 -0.13 0.40 0.20 -1.32 0.00 0.00 175.29 174.52 3azu s GLY 9 N 0.98 2.28 0.38 2.60 0.00 -1.03 -1.85 107.32 110.68 3azu s GLY 9 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 44.23 3azu s GLY 9 CO -0.07 -0.34 0.18 0.54 0.00 0.00 0.00 173.10 173.41 3azu s ASN 10 N -2.17 2.42 0.27 1.64 2.20 -0.26 -3.81 114.94 115.24 3azu s ASN 10 Ca 0.38 -1.71 0.18 0.00 -0.94 0.00 0.00 52.86 50.78 3azu s ASN 10 Cb -0.13 0.54 0.98 0.00 -2.00 0.00 0.00 41.25 40.65 3azu s ASN 10 CO 0.22 -0.98 1.55 0.47 -2.94 0.00 0.00 177.10 175.41 3azu n ASP 11 N -1.39 0.47 -0.90 3.54 8.00 -1.26 -0.81 116.55 124.20 3azu n ASP 11 Ca -0.02 0.72 0.08 0.00 0.71 0.00 0.00 54.79 56.28 3azu n ASP 11 Cb 0.64 -0.78 0.21 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.13 2.13 -3.59 -1.24 1.13 -1.26 -4.92 117.38 107.49 3azu n GLN 12 Ca -0.01 -1.75 -0.23 0.00 -1.94 0.00 0.00 57.00 53.07 3azu n GLN 12 Cb 0.03 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.08 3azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3azu n MET 13 N 0.92 -7.27 -4.11 -1.09 0.00 0.01 -4.99 117.12 100.59 3azu n MET 13 Ca 0.16 0.80 -0.15 0.00 -0.00 0.00 0.00 57.70 58.51 3azu n MET 13 Cb 0.41 -5.81 -0.12 0.00 0.00 0.00 0.00 33.22 27.70 3azu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3azu s GLN 14 N -6.09 0.65 0.15 2.12 -0.21 -1.25 -4.30 119.66 110.73 3azu s GLN 14 Ca 0.42 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 3azu s GLN 14 Cb -0.19 -0.50 -0.06 0.00 1.00 0.00 0.00 33.01 33.26 3azu s GLN 14 CO 0.74 0.10 0.42 -0.06 -2.12 0.00 0.00 175.29 174.38 3azu s PHE 15 N -1.37 3.49 -1.23 0.91 0.08 -1.26 -1.10 117.98 117.50 3azu s PHE 15 Ca -0.06 0.69 0.22 0.00 0.12 0.00 0.00 56.93 57.89 3azu s PHE 15 Cb -0.10 -2.10 1.03 0.00 -0.57 0.00 0.00 43.02 41.28 3azu s PHE 15 CO 0.01 0.41 1.71 0.27 -0.10 0.00 0.00 175.22 177.52 3azu n ASN 16 N 0.22 0.00 -3.83 1.36 6.94 -0.77 -4.77 115.26 114.41 3azu n ASN 16 Ca -0.03 0.22 -0.12 0.00 -0.02 0.00 0.00 54.58 54.63 3azu n ASN 16 Cb 0.52 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 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 -2.77 0.07 -0.02 5.53 -1.32 -1.26 -5.03 115.64 110.83 3azu s THR 17 Ca 0.16 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 60.11 3azu s THR 17 Cb 0.15 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.69 3azu s THR 17 CO 0.36 -0.31 0.87 0.59 -2.21 0.00 0.00 174.62 173.92 3azu n ASN 18 N 1.52 1.24 -3.68 8.08 4.13 -1.26 -4.87 115.26 120.42 3azu n ASN 18 Ca -0.22 -1.85 -0.09 0.00 1.68 0.00 0.00 54.58 54.10 3azu n ASN 18 Cb 0.56 -0.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.62 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 -0.86 -1.21 0.04 5.41 0.00 -1.26 -1.25 121.76 122.62 3azu s ALA 19 Ca 0.05 1.65 0.07 0.00 0.00 0.00 0.00 51.96 53.73 3azu s ALA 19 Cb 0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3azu s ALA 19 CO 0.00 -0.46 -0.21 0.42 0.00 0.00 0.00 175.76 175.52 3azu s ILE 20 N 1.86 1.71 -0.08 0.00 1.01 0.13 -4.95 121.20 120.88 3azu s ILE 20 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.40 3azu s ILE 20 Cb -0.09 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.93 3azu s ILE 20 CO -0.14 0.25 -0.05 -0.89 0.00 0.00 0.00 174.94 174.11 3azu s THR 21 N -0.77 0.72 -0.24 2.92 2.01 -1.26 -1.61 115.64 117.41 3azu s THR 21 Ca 0.08 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 3azu s THR 21 Cb -0.09 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3azu s THR 21 CO 0.02 0.30 0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 3azu s VAL 22 N 1.42 4.84 0.30 3.82 1.01 0.32 -4.97 120.40 127.14 3azu s VAL 22 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 3azu s VAL 22 Cb -0.13 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 3azu s VAL 22 CO -0.03 0.35 1.15 -0.62 0.00 0.00 0.00 175.10 175.95 3azu s ASP 23 N 1.21 7.13 0.58 3.32 2.15 -1.26 -1.32 116.67 128.47 3azu s ASP 23 Ca 0.06 2.36 0.29 0.00 0.43 0.00 0.00 52.55 55.69 3azu s ASP 23 Cb -0.14 -2.63 1.46 0.00 -0.30 0.00 0.00 42.92 41.30 3azu s ASP 23 CO 0.05 -0.25 1.88 0.11 -0.17 0.00 0.00 175.17 176.78 3azu h LYS 24 N 3.66 0.00 0.00 4.34 1.57 -1.93 -1.68 116.57 122.53 3azu h LYS 24 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3azu h LYS 24 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3azu h LYS 24 CO 0.66 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.97 3azu n SER 25 N -3.83 0.00 -4.75 0.86 7.64 -1.26 -4.81 113.62 107.47 3azu n SER 25 Ca 0.11 -1.55 -0.38 0.00 1.01 0.00 0.00 58.87 58.06 3azu n SER 25 Cb 0.76 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.90 3azu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3azu h LYS 27 N 6.19 0.19 -4.80 0.00 1.63 -1.90 -3.41 116.57 114.46 3azu h LYS 27 Ca -0.44 -0.32 -0.28 0.00 -0.85 0.00 0.00 60.65 58.76 3azu h LYS 27 Cb 1.19 0.12 -0.15 0.00 -0.60 0.00 0.00 32.23 32.79 3azu h LYS 27 CO 0.72 1.13 -0.67 -0.65 -3.45 0.00 0.00 179.45 176.53 3azu s GLN 28 N -2.66 1.06 -0.00 1.90 -0.21 -1.26 -0.28 119.66 118.20 3azu s GLN 28 Ca -0.03 -1.50 0.01 0.00 0.02 0.00 0.00 55.36 53.86 3azu s GLN 28 Cb 0.08 -0.29 -0.00 0.00 1.00 0.00 0.00 33.01 33.80 3azu s GLN 28 CO 0.86 -0.10 -0.03 0.12 -2.12 0.00 0.00 175.29 174.03 3azu s PHE 29 N -3.62 0.30 -0.06 0.91 5.36 -0.20 -4.81 117.98 115.86 3azu s PHE 29 Ca 0.21 -0.05 0.05 0.00 -0.96 0.00 0.00 56.93 56.18 3azu s PHE 29 Cb 0.06 -0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 3azu s PHE 29 CO 0.02 -0.01 -0.22 0.99 -1.46 0.00 0.00 175.22 174.53 3azu s THR 30 N 0.00 2.30 -0.21 0.12 2.01 -0.70 -1.32 115.64 117.84 3azu s THR 30 Ca 0.00 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 3azu s THR 30 Cb -0.02 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.65 3azu s THR 30 CO -0.00 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 3azu s VAL 31 N -0.24 2.56 -0.29 3.82 1.01 0.03 -1.46 120.40 125.82 3azu s VAL 31 Ca -0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3azu s VAL 31 Cb -0.13 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3azu s VAL 31 CO 0.03 0.37 0.14 0.20 0.00 0.00 0.00 175.10 175.84 3azu s ASN 32 N 1.32 5.51 -0.13 3.32 0.01 -0.28 -1.50 114.94 123.18 3azu s ASN 32 Ca 0.03 -0.38 -0.08 0.00 -0.71 0.00 0.00 52.86 51.72 3azu s ASN 32 Cb -0.15 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3azu s ASN 32 CO -0.08 -0.14 0.15 -0.22 -1.51 0.00 0.00 177.10 175.31 3azu s LEU 33 N 1.63 4.35 0.09 0.60 2.96 0.58 -0.69 118.68 128.20 3azu s LEU 33 Ca 0.05 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 3azu s LEU 33 Cb -0.16 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3azu s LEU 33 CO 0.06 0.35 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.82 3azu s SER 34 N -0.72 1.12 -0.35 3.68 0.15 -0.49 -1.57 113.70 115.53 3azu s SER 34 Ca 0.14 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.91 3azu s SER 34 Cb -0.12 0.07 0.11 0.00 -1.71 0.00 0.00 66.02 64.37 3azu s SER 34 CO 0.03 -0.38 0.15 -1.58 1.20 0.00 0.00 173.24 172.66 3azu s GLN 35 N -3.20 0.87 0.00 5.44 -0.44 -1.12 -2.46 119.66 118.75 3azu s GLN 35 Ca 0.06 -1.38 0.22 0.00 -2.50 0.00 0.00 55.36 51.77 3azu s GLN 35 Cb 0.01 -2.04 1.06 0.00 -1.64 0.00 0.00 33.01 30.40 3azu s GLN 35 CO -0.03 -1.06 1.73 -0.35 0.50 0.00 0.00 175.29 176.08 3azu n PRO 36 N 4.39 0.18 -0.18 1.67 -0.04 -1.25 -2.02 135.00 137.74 3azu n PRO 36 Ca 0.02 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3azu n PRO 36 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.71 -0.11 2.43 0.55 0.00 -1.26 -4.90 105.19 102.60 3azu n GLY 37 Ca 0.08 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 3azu n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3azu n ASN 38 N -1.84 3.71 -4.28 1.61 6.94 -1.26 -4.22 115.26 115.91 3azu n ASN 38 Ca 0.00 -3.29 -0.30 0.00 -0.02 0.00 0.00 54.58 50.97 3azu n ASN 38 Cb 0.00 -0.44 -0.16 0.00 -2.36 0.00 0.00 39.78 36.82 3azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3azu s LEU 39 N -3.52 2.05 0.69 -4.53 1.43 -1.26 -5.00 118.68 108.53 3azu s LEU 39 Ca 0.42 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 3azu s LEU 39 Cb 0.40 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 45.37 3azu s LEU 39 CO -0.06 0.30 1.18 -2.16 0.23 0.00 0.00 176.35 175.84 3azu s PRO 40 N -0.54 2.46 0.59 1.29 0.04 -1.26 -2.79 135.00 134.79 3azu s PRO 40 Ca 0.08 1.67 0.34 0.00 0.04 0.00 0.00 61.00 63.14 3azu s PRO 40 Cb -0.10 -1.88 1.86 0.00 0.04 0.00 0.00 34.50 34.42 3azu s PRO 40 CO -0.01 -1.57 2.21 1.57 0.04 0.00 0.00 177.00 179.24 3azu h LYS 41 N -0.00 0.00 0.00 4.56 2.10 -1.87 -0.55 116.57 120.80 3azu h LYS 41 Ca -0.48 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.07 3azu h LYS 41 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 3azu h LYS 41 CO 0.52 0.04 -0.47 -2.95 -2.00 0.00 0.00 179.45 174.58 3azu h ASN 42 N 0.00 0.00 0.06 7.07 7.08 -1.94 0.74 115.58 128.59 3azu h ASN 42 Ca -0.00 0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.85 3azu h ASN 42 Cb 0.16 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.36 3azu h ASN 42 CO 0.00 0.47 -2.11 0.52 -2.08 0.00 0.00 177.43 174.24 3azu n VAL 43 N -3.77 1.64 -2.72 6.14 0.31 -0.34 -4.72 118.33 114.87 3azu n VAL 43 Ca -0.01 -0.52 0.01 0.00 -0.01 0.00 0.00 64.34 63.81 3azu n VAL 43 Cb 0.53 -1.69 0.04 0.00 -0.91 0.00 0.00 33.84 31.80 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 -3.62 1.31 -2.24 5.55 1.56 -0.49 -5.03 117.12 114.16 3azu n MET 44 Ca -0.39 -3.12 -0.41 0.00 -0.27 0.00 0.00 57.70 53.52 3azu n MET 44 Cb 0.97 -1.19 -0.03 0.00 2.15 0.00 0.00 33.22 35.11 3azu n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3azu s GLY 45 N -3.31 2.89 0.23 -5.12 0.00 0.25 -4.82 107.32 97.44 3azu s GLY 45 Ca 0.30 1.12 0.11 0.00 0.00 0.00 0.00 44.72 46.25 3azu s GLY 45 CO -0.07 1.84 -0.21 0.30 0.00 0.00 0.00 173.10 174.96 3azu s HIS 46 N -0.84 2.19 0.20 1.90 3.76 -0.83 -4.69 115.29 116.99 3azu s HIS 46 Ca 0.50 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 3azu s HIS 46 Cb -0.37 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 3azu s HIS 46 CO 0.46 0.57 0.26 0.54 -0.85 0.00 0.00 174.74 175.72 3azu s ASN 47 N -3.13 0.07 -0.18 1.40 2.20 -1.26 -1.21 114.94 112.82 3azu s ASN 47 Ca 0.25 -1.12 0.01 0.00 -0.94 0.00 0.00 52.86 51.05 3azu s ASN 47 Cb -0.06 0.45 0.03 0.00 -2.00 0.00 0.00 41.25 39.67 3azu s ASN 47 CO 0.12 -0.93 -0.15 0.86 -2.94 0.00 0.00 177.10 174.05 3azu s TRP 48 N -4.07 2.59 -0.03 1.54 -0.00 -1.26 -4.01 118.94 113.71 3azu s TRP 48 Ca 0.28 -1.60 0.07 0.00 -0.00 0.00 0.00 56.10 54.85 3azu s TRP 48 Cb 0.04 -1.77 -0.01 0.00 -0.00 0.00 0.00 33.47 31.72 3azu s TRP 48 CO 0.08 -0.77 -0.24 0.08 -0.00 0.00 0.00 176.95 176.10 3azu s VAL 49 N 1.34 1.92 -0.13 5.86 1.01 0.10 -0.74 120.40 129.76 3azu s VAL 49 Ca 0.02 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3azu s VAL 49 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3azu s VAL 49 CO -0.10 0.54 -0.20 -0.22 0.00 0.00 0.00 175.10 175.12 3azu s LEU 50 N -0.38 2.28 0.00 3.92 2.96 -0.75 -0.58 118.68 126.12 3azu s LEU 50 Ca 0.04 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3azu s LEU 50 Cb -0.11 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3azu s LEU 50 CO 0.01 0.12 0.29 -1.54 -1.32 0.00 0.00 176.35 173.91 3azu n SER 51 N 3.83 -0.77 -4.78 3.68 3.41 -0.70 -1.09 113.62 117.20 3azu n SER 51 Ca -0.19 -2.70 -0.33 0.00 -0.26 0.00 0.00 58.87 55.39 3azu n SER 51 Cb 0.52 1.62 0.05 0.00 -0.26 0.00 0.00 64.21 66.14 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 -2.97 3.40 0.44 6.66 -4.23 -1.26 -0.97 115.64 116.70 3azu s THR 52 Ca 0.29 0.61 0.12 0.00 -1.18 0.00 0.00 61.69 61.53 3azu s THR 52 Cb 0.01 -3.13 0.31 0.00 1.34 0.00 0.00 72.50 71.02 3azu s THR 52 CO 0.21 -0.45 2.02 0.00 -0.54 0.00 0.00 174.62 175.86 3azu h ALA 53 N -0.13 1.94 -0.48 3.99 0.00 -1.37 -1.42 119.26 121.79 3azu h ALA 53 Ca -0.46 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3azu h ALA 53 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3azu h ALA 53 CO 0.54 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 3azu h ALA 54 N 1.74 1.03 -0.01 0.00 0.00 -1.91 -3.10 119.26 117.01 3azu h ALA 54 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3azu h ALA 54 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3azu h ALA 54 CO -0.05 0.59 -0.02 -0.25 0.00 0.00 0.00 179.25 179.52 3azu n ASP 55 N -4.19 1.08 0.04 0.00 8.00 -0.56 -4.50 116.55 116.42 3azu n ASP 55 Ca 0.02 -1.29 -0.11 0.00 0.71 0.00 0.00 54.79 54.12 3azu n ASP 55 Cb 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.66 -0.25 -0.81 -1.24 4.05 -1.40 -2.01 114.93 114.93 3azu h MET 56 Ca 0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3azu h MET 56 Cb 0.38 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 3azu h MET 56 CO 0.00 -0.16 0.42 0.37 0.23 0.00 0.00 176.91 177.77 3azu h GLN 57 N -0.26 1.14 0.02 0.39 -0.00 -1.82 -1.19 115.11 113.40 3azu h GLN 57 Ca 0.06 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 3azu h GLN 57 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.60 3azu h GLN 57 CO -0.17 0.85 -0.01 0.78 0.00 0.00 0.00 178.83 180.28 3azu h GLY 58 N 1.17 -0.03 0.96 2.39 0.00 -1.75 -0.13 103.07 105.68 3azu h GLY 58 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.63 3azu h GLY 58 CO -0.04 -0.01 0.13 -2.08 0.00 0.00 0.00 176.54 174.53 3azu h VAL 59 N -0.20 1.03 -0.96 4.60 2.07 -1.24 -0.37 116.25 121.18 3azu h VAL 59 Ca -0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3azu h VAL 59 Cb 0.19 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3azu h VAL 59 CO 0.00 0.05 0.60 0.58 0.02 0.00 0.00 177.57 178.82 3azu h VAL 60 N 0.26 1.26 -0.20 2.57 2.07 -1.10 0.15 116.25 121.25 3azu h VAL 60 Ca 0.08 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3azu h VAL 60 Cb -0.01 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.64 3azu h VAL 60 CO -0.04 0.27 -0.16 0.74 0.02 0.00 0.00 177.57 178.41 3azu h THR 61 N 1.32 1.32 0.00 2.57 2.02 -0.33 -1.75 112.91 118.07 3azu h THR 61 Ca 0.35 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 3azu h THR 61 Cb -0.08 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3azu h THR 61 CO -0.07 0.39 -0.34 0.44 0.37 0.00 0.00 175.52 176.31 3azu h ASP 62 N 0.15 0.00 0.20 4.18 5.19 -1.00 -3.15 116.42 121.99 3azu h ASP 62 Ca 0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3azu h ASP 62 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3azu h ASP 62 CO 0.04 0.34 -0.10 1.23 -3.12 0.00 0.00 179.24 177.64 3azu h GLY 63 N 1.87 -0.29 2.00 2.75 0.00 -0.50 -3.17 103.07 105.74 3azu h GLY 63 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3azu h GLY 63 CO 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.48 3azu h MET 64 N -0.96 0.00 0.00 4.80 -0.00 -1.37 0.16 114.93 117.56 3azu h MET 64 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3azu h MET 64 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 3azu h MET 64 CO 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 176.91 176.78 3azu n ALA 65 N -1.82 2.63 0.79 -3.00 0.00 -1.19 -3.99 120.51 113.93 3azu n ALA 65 Ca -0.00 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3azu n ALA 65 Cb 0.11 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 18.56 3azu n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3azu n SER 66 N -1.75 0.50 0.00 0.00 7.64 0.04 -5.06 113.62 114.98 3azu n SER 66 Ca 0.06 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3azu n SER 66 Cb 0.37 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3azu n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3azu n GLY 67 N 1.41 -2.41 0.30 0.23 0.00 -1.26 -3.92 105.19 99.54 3azu n GLY 67 Ca 0.05 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.79 3azu n GLY 67 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3azu h LEU 68 N 0.00 0.00 -1.48 0.99 -0.00 -1.92 -1.03 115.31 111.86 3azu h LEU 68 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.06 3azu h LEU 68 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 3azu h LEU 68 CO 0.00 0.04 0.57 -2.24 -0.00 0.00 0.00 178.44 176.80 3azu h ASP 69 N 0.00 0.45 -0.44 0.17 2.03 -2.02 -0.39 116.42 116.22 3azu h ASP 69 Ca -0.00 0.04 -0.23 0.00 -0.73 0.00 0.00 57.03 56.11 3azu h ASP 69 Cb 0.27 -0.05 -0.14 0.00 -0.83 0.00 0.00 39.33 38.58 3azu h ASP 69 CO 0.00 0.20 0.00 0.29 -1.03 0.00 0.00 179.24 178.71 3azu n LYS 70 N -4.52 1.88 -1.81 4.15 5.02 -0.48 -4.95 118.16 117.46 3azu n LYS 70 Ca 0.18 -3.18 -0.13 0.00 -2.02 0.00 0.00 58.31 53.16 3azu n LYS 70 Cb 0.61 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3azu n ASP 71 N -1.13 -3.62 -3.63 4.39 8.00 -0.16 -1.57 116.55 118.83 3azu n ASP 71 Ca 0.37 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.90 3azu n ASP 71 Cb 1.12 -3.26 0.07 0.00 -0.02 0.00 0.00 41.12 39.03 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 -2.50 -2.56 -3.83 1.24 4.01 -0.66 -4.71 117.16 108.16 3azu n TYR 72 Ca -0.14 0.97 -0.13 0.00 -0.16 0.00 0.00 57.90 58.44 3azu n TYR 72 Cb 0.50 -4.81 -0.14 0.00 -0.31 0.00 0.00 39.34 34.58 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 -7.05 1.55 -0.00 7.72 1.43 -0.61 -3.84 118.68 117.88 3azu s LEU 73 Ca 0.43 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3azu s LEU 73 Cb -0.19 0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.08 3azu s LEU 73 CO 0.75 -0.05 1.91 -0.75 0.23 0.00 0.00 176.35 178.44 3azu s LYS 74 N 0.36 4.09 0.27 1.70 2.20 -1.26 -4.86 119.74 122.23 3azu s LYS 74 Ca -0.03 2.47 -0.30 0.00 -0.36 0.00 0.00 55.97 57.75 3azu s LYS 74 Cb -0.04 -4.14 -0.13 0.00 -1.51 0.00 0.00 37.83 32.01 3azu s LYS 74 CO -0.01 -1.01 1.35 -0.35 -0.36 0.00 0.00 175.35 174.97 3azu n PRO 75 N 7.53 1.99 -3.79 4.03 -0.04 -1.26 -2.55 135.00 140.90 3azu n PRO 75 Ca 0.20 0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 64.09 3azu n PRO 75 Cb 0.42 -2.32 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 3azu n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3azu n ASP 76 N 1.75 -4.70 -4.69 3.54 2.03 -1.26 -4.94 116.55 108.29 3azu n ASP 76 Ca 0.10 -0.72 -0.42 0.00 0.52 0.00 0.00 54.79 54.27 3azu n ASP 76 Cb 0.32 -4.25 -0.03 0.00 -0.72 0.00 0.00 41.12 36.45 3azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3azu s ASP 77 N -3.48 7.05 0.47 1.67 -1.08 -1.06 -4.92 116.67 115.32 3azu s ASP 77 Ca 0.54 1.84 0.26 0.00 -0.52 0.00 0.00 52.55 54.67 3azu s ASP 77 Cb -0.26 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.30 3azu s ASP 77 CO 0.80 -0.58 1.72 0.77 0.52 0.00 0.00 175.17 178.40 3azu h SER 78 N 7.43 0.00 1.45 -0.34 4.64 -1.92 -3.21 113.55 121.60 3azu h SER 78 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3azu h SER 78 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3azu h SER 78 CO 0.88 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.87 3azu h ARG 79 N 0.00 0.00 -5.72 4.77 3.08 -1.98 -3.43 114.38 111.11 3azu h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3azu h ARG 79 Cb 0.85 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.79 3azu h ARG 79 CO 0.00 0.00 0.35 0.08 -1.07 0.00 0.00 179.97 179.33 3azu s VAL 80 N -3.33 4.83 0.08 2.04 1.01 -1.21 -4.47 120.40 119.34 3azu s VAL 80 Ca 0.06 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3azu s VAL 80 Cb 0.08 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 3azu s VAL 80 CO 0.58 -0.21 1.15 0.40 0.00 0.00 0.00 175.10 177.02 3azu h ILE 81 N 5.57 1.53 -2.02 2.22 2.04 -1.39 -3.48 117.51 121.99 3azu h ILE 81 Ca -0.25 -3.18 0.08 0.00 1.00 0.00 0.00 64.86 62.51 3azu h ILE 81 Cb 1.10 2.86 -0.18 0.00 -0.74 0.00 0.00 36.82 39.86 3azu h ILE 81 CO 0.86 0.90 0.48 0.00 0.00 0.00 0.00 178.15 180.39 3azu s ALA 82 N -2.67 -1.85 0.07 1.87 0.00 -1.24 -5.02 121.76 112.92 3azu s ALA 82 Ca -0.02 1.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 3azu s ALA 82 Cb 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.28 3azu s ALA 82 CO 0.85 -0.53 0.70 -3.38 0.00 0.00 0.00 175.76 173.40 3azu s HIS 83 N -2.25 -0.51 0.57 0.00 -3.43 -1.26 -1.82 115.29 106.60 3azu s HIS 83 Ca 0.01 0.46 0.03 0.00 -0.80 0.00 0.00 55.06 54.77 3azu s HIS 83 Cb -0.01 0.52 0.11 0.00 -1.43 0.00 0.00 32.58 31.77 3azu s HIS 83 CO -0.04 -0.71 0.78 0.25 -2.00 0.00 0.00 174.74 173.03 3azu n THR 84 N -0.06 0.00 -2.15 -5.38 -2.24 0.08 -4.81 114.28 99.72 3azu n THR 84 Ca -0.15 -1.46 -0.27 0.00 -2.27 0.00 0.00 64.05 59.90 3azu n THR 84 Cb 0.62 -0.81 0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 -4.52 1.85 -0.18 -0.78 1.02 -1.26 -4.66 119.74 111.21 3azu s LYS 85 Ca 0.55 -0.32 -0.22 0.00 0.02 0.00 0.00 55.97 55.99 3azu s LYS 85 Cb -0.04 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 3azu s LYS 85 CO 0.36 -1.51 0.70 -1.17 -0.92 0.00 0.00 175.35 172.81 3azu s LEU 86 N -5.39 4.16 0.27 3.17 2.96 -1.26 -4.50 118.68 118.08 3azu s LEU 86 Ca 0.63 0.96 0.12 0.00 -0.22 0.00 0.00 54.13 55.62 3azu s LEU 86 Cb -0.09 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 3azu s LEU 86 CO 0.47 -0.31 -0.18 0.27 -1.32 0.00 0.00 176.35 175.28 3azu s ILE 87 N 1.96 2.60 0.09 6.68 -4.36 -0.35 -4.92 121.20 122.90 3azu s ILE 87 Ca 0.32 -2.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 3azu s ILE 87 Cb -0.16 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.20 3azu s ILE 87 CO 0.11 -0.37 0.04 0.61 0.24 0.00 0.00 174.94 175.58 3azu n GLY 88 N -0.57 3.38 3.60 6.27 0.00 -1.26 -1.96 105.19 114.65 3azu n GLY 88 Ca -0.06 -2.21 -0.52 0.00 0.00 0.00 0.00 46.02 43.23 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 -1.66 1.74 0.00 1.61 3.41 -1.12 -1.52 113.62 116.08 3azu n SER 89 Ca -0.01 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 3azu n SER 89 Cb 0.10 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 2.67 1.88 3.96 5.00 0.00 -0.86 -5.00 105.19 112.83 3azu n GLY 90 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 2.94 -0.05 1.61 2.02 -0.58 -4.93 118.70 119.71 3azu s GLU 91 Ca 0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 54.97 54.28 3azu s GLU 91 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.69 3azu s GLU 91 CO 0.00 -0.35 0.25 0.15 0.02 0.00 0.00 175.26 175.33 3azu s LYS 92 N -4.58 0.45 0.00 1.61 1.02 -1.26 -2.77 119.74 114.21 3azu s LYS 92 Ca 0.50 0.03 -0.12 0.00 0.02 0.00 0.00 55.97 56.41 3azu s LYS 92 Cb -0.10 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.43 3azu s LYS 92 CO 0.37 -0.10 0.25 0.34 -0.92 0.00 0.00 175.35 175.30 3azu s ASP 93 N -0.62 -0.10 0.05 2.83 2.15 -0.61 -5.00 116.67 115.36 3azu s ASP 93 Ca -0.07 -0.08 0.07 0.00 0.43 0.00 0.00 52.55 52.90 3azu s ASP 93 Cb -0.04 0.29 -0.02 0.00 -0.30 0.00 0.00 42.92 42.84 3azu s ASP 93 CO 0.02 -0.46 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.92 3azu s SER 94 N -1.52 2.31 -0.01 -0.34 0.01 -1.26 -0.31 113.70 112.57 3azu s SER 94 Ca -0.12 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3azu s SER 94 Cb -0.05 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3azu s SER 94 CO 0.02 0.13 -0.14 0.54 0.41 0.00 0.00 173.24 174.19 3azu s VAL 95 N -0.83 1.14 -0.06 3.43 0.11 -0.57 -4.96 120.40 118.66 3azu s VAL 95 Ca 0.06 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.54 3azu s VAL 95 Cb -0.09 -0.95 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 3azu s VAL 95 CO 0.02 0.32 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.02 3azu s THR 96 N -0.33 1.72 0.21 5.04 2.01 -1.26 -0.79 115.64 122.24 3azu s THR 96 Ca 0.05 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.24 3azu s THR 96 Cb -0.06 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 3azu s THR 96 CO -0.01 0.49 -0.05 0.72 -0.69 0.00 0.00 174.62 175.08 3azu s PHE 97 N 0.13 1.55 -0.08 4.92 -0.71 -0.44 -4.94 117.98 118.42 3azu s PHE 97 Ca -0.09 -0.82 -0.18 0.00 -1.04 0.00 0.00 56.93 54.81 3azu s PHE 97 Cb -0.14 -0.85 -0.05 0.00 -1.21 0.00 0.00 43.02 40.77 3azu s PHE 97 CO 0.04 0.07 0.50 -0.51 -1.34 0.00 0.00 175.22 173.98 3azu s ASP 98 N -3.29 6.77 0.65 1.98 1.01 -1.26 -1.03 116.67 121.50 3azu s ASP 98 Ca 0.25 0.92 0.41 0.00 0.71 0.00 0.00 52.55 54.84 3azu s ASP 98 Cb 0.04 -2.30 2.26 0.00 1.01 0.00 0.00 42.92 43.93 3azu s ASP 98 CO 0.07 0.07 2.33 0.58 0.21 0.00 0.00 175.17 178.43 3azu h VAL 99 N 4.45 0.12 0.00 -1.27 2.07 -0.89 -1.74 116.25 118.99 3azu h VAL 99 Ca -0.43 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3azu h VAL 99 Cb 1.19 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3azu h VAL 99 CO 0.72 0.00 0.19 0.77 0.02 0.00 0.00 177.57 179.28 3azu h SER 100 N 0.00 0.00 -0.11 0.57 4.64 -1.88 -1.00 113.55 115.78 3azu h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3azu h SER 100 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3azu h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3azu n LYS 101 N -2.97 1.42 -4.97 4.77 4.76 -0.65 -4.81 118.16 115.70 3azu n LYS 101 Ca -0.02 -0.63 -0.27 0.00 -2.87 0.00 0.00 58.31 54.51 3azu n LYS 101 Cb 0.25 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 31.95 3azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3azu s LEU 102 N -1.50 1.99 -0.01 -0.35 1.43 -0.38 -5.12 118.68 114.74 3azu s LEU 102 Ca 0.28 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3azu s LEU 102 Cb 0.14 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 3azu s LEU 102 CO 0.22 0.20 -0.08 -1.59 0.23 0.00 0.00 176.35 175.34 3azu s LYS 103 N -0.18 2.56 0.11 1.70 -2.85 -1.26 -5.03 119.74 114.78 3azu s LYS 103 Ca 0.00 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.97 53.96 3azu s LYS 103 Cb -0.11 -2.50 -0.08 0.00 -2.06 0.00 0.00 37.83 33.09 3azu s LYS 103 CO 0.01 0.61 1.35 -2.00 0.10 0.00 0.00 175.35 175.42 3azu s GLU 104 N -1.29 4.35 0.00 1.78 2.12 -1.26 -2.80 118.70 121.60 3azu s GLU 104 Ca 0.16 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.51 3azu s GLU 104 Cb -0.11 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3azu s GLU 104 CO 0.06 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 3azu n GLY 105 N 3.32 1.74 3.86 -1.50 0.00 -1.26 -5.09 105.19 106.26 3azu n GLY 105 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.51 3.10 -0.16 1.61 2.12 -1.12 -5.11 118.70 118.64 3azu s GLU 106 Ca 0.00 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.42 3azu s GLU 106 Cb 0.00 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 3azu s GLU 106 CO 0.00 0.45 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.97 3azu s GLN 107 N -3.58 3.56 0.32 4.30 0.74 -1.26 -4.77 119.66 118.97 3azu s GLN 107 Ca 0.33 -0.57 0.09 0.00 0.05 0.00 0.00 55.36 55.25 3azu s GLN 107 Cb -0.09 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 3azu s GLN 107 CO 0.26 0.16 0.08 0.71 -0.55 0.00 0.00 175.29 175.95 3azu s TYR 108 N 0.55 2.70 0.01 1.67 2.02 -1.06 -1.12 117.35 122.12 3azu s TYR 108 Ca -0.04 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3azu s TYR 108 Cb -0.15 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3azu s TYR 108 CO 0.03 0.44 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.76 3azu s MET 109 N -3.78 0.38 0.09 -0.62 -1.94 -0.14 -2.76 119.30 110.53 3azu s MET 109 Ca 0.35 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 54.07 3azu s MET 109 Cb -0.03 -0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.47 3azu s MET 109 CO 0.21 0.07 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.65 3azu s PHE 110 N -0.49 2.86 0.19 -0.03 -0.12 -0.26 -1.73 117.98 118.41 3azu s PHE 110 Ca -0.02 -0.09 -0.24 0.00 -0.05 0.00 0.00 56.93 56.53 3azu s PHE 110 Cb -0.04 -1.49 0.05 0.00 -0.63 0.00 0.00 43.02 40.91 3azu s PHE 110 CO -0.00 0.45 0.89 -0.59 -0.05 0.00 0.00 175.22 175.92 3azu s PHE 111 N -1.24 -0.14 -0.19 3.49 -0.71 0.25 -1.46 117.98 117.97 3azu s PHE 111 Ca 0.23 -0.21 -0.05 0.00 -1.04 0.00 0.00 56.93 55.86 3azu s PHE 111 Cb -0.11 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 3azu s PHE 111 CO 0.15 -0.95 -0.01 0.00 -1.34 0.00 0.00 175.22 173.08 3azu n THR 113 N 4.07 0.00 -1.69 0.00 -2.24 -1.26 -3.04 114.28 110.12 3azu n THR 113 Ca -0.17 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 3azu n THR 113 Cb 0.52 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3azu n PHE 114 N -0.66 2.54 -0.33 4.78 -0.00 -1.26 -3.85 117.46 118.68 3azu n PHE 114 Ca 0.11 0.06 -0.16 0.00 -0.00 0.00 0.00 57.45 57.46 3azu n PHE 114 Cb 0.36 -2.65 -0.03 0.00 -0.00 0.00 0.00 39.48 37.16 3azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3azu n PRO 115 N 4.46 0.00 0.00 -7.13 -0.02 -1.26 -1.49 135.00 129.56 3azu n PRO 115 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3azu n PRO 115 Cb 0.33 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 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 1.93 3.17 0.23 -1.23 0.00 -1.26 -4.88 105.19 103.15 3azu n GLY 116 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.08 0.00 1.61 3.86 -1.51 -2.87 115.15 116.32 3azu h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3azu h HIS 117 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3azu h HIS 117 CO 0.00 0.23 0.00 0.66 0.86 0.00 0.00 177.93 179.68 3azu h SER 118 N 0.07 0.00 -0.82 2.45 4.64 -1.72 0.41 113.55 118.58 3azu h SER 118 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3azu h SER 118 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 3azu h SER 118 CO 0.02 0.00 0.53 0.00 -0.87 0.00 0.00 176.83 176.51 3azu h ALA 119 N 2.06 1.04 0.00 5.18 0.00 -1.85 -3.33 119.26 122.36 3azu h ALA 119 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3azu h ALA 119 Cb 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3azu h ALA 119 CO 0.00 0.46 -1.82 1.28 0.00 0.00 0.00 179.25 179.17 3azu n LEU 120 N -4.50 1.24 -4.32 0.00 4.77 -0.62 -4.81 117.00 108.77 3azu n LEU 120 Ca 0.08 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.59 3azu n LEU 120 Cb 0.03 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3azu n LEU 120 CO 0.37 0.48 1.47 0.23 -1.33 0.00 0.00 177.39 178.61 3azu n MET 121 N -2.64 3.46 -3.98 3.23 2.81 0.04 -4.75 117.12 115.29 3azu n MET 121 Ca -0.22 -3.84 -0.10 0.00 -1.81 0.00 0.00 57.70 51.73 3azu n MET 121 Cb 0.84 -2.97 -0.06 0.00 -0.71 0.00 0.00 33.22 30.32 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 1.01 1.35 0.00 0.03 -2.85 -1.26 -2.20 119.74 115.82 3azu s LYS 122 Ca 0.41 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 3azu s LYS 122 Cb -0.01 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3azu s LYS 122 CO 0.00 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.33 3azu n GLY 123 N -0.30 0.19 3.86 0.59 0.00 -0.54 -4.68 105.19 104.31 3azu n GLY 123 Ca -0.04 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3azu n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3azu s THR 124 N -2.00 4.94 -0.02 2.61 -4.23 -0.38 -1.10 115.64 115.45 3azu s THR 124 Ca 0.00 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 3azu s THR 124 Cb 0.00 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.18 3azu s THR 124 CO 0.00 0.12 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.93 3azu s LEU 125 N -2.32 1.64 -0.01 4.79 0.20 -1.11 0.18 118.68 122.04 3azu s LEU 125 Ca 0.41 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.09 3azu s LEU 125 Cb -0.13 -0.33 0.00 0.00 -0.43 0.00 0.00 46.19 45.30 3azu s LEU 125 CO 0.20 -0.00 0.09 0.42 -0.29 0.00 0.00 176.35 176.77 3azu s THR 126 N 0.41 0.05 -0.30 3.68 -4.23 -0.64 -2.55 115.64 112.06 3azu s THR 126 Ca -0.05 -0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 59.92 3azu s THR 126 Cb -0.08 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 3azu s THR 126 CO -0.00 -0.22 0.36 -0.22 -0.54 0.00 0.00 174.62 173.99 3azu s LEU 127 N -0.70 4.20 0.00 4.79 2.96 -1.26 -0.52 118.68 128.14 3azu s LEU 127 Ca -0.08 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3azu s LEU 127 Cb -0.05 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.28 3azu s LEU 127 CO 0.00 -0.24 0.18 0.29 -1.32 0.00 0.00 176.35 175.26