#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5azu n GLU 2 N 0.00 1.28 -2.22 0.00 2.13 -1.26 -1.92 120.64 118.64 5azu n GLU 2 Ca 0.00 0.38 -0.14 0.00 0.66 0.00 0.00 57.16 58.07 5azu n GLU 2 Cb 0.00 -2.49 -0.02 0.00 0.27 0.00 0.00 31.44 29.20 5azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 5azu s SER 4 N -2.06 -0.39 0.00 0.00 1.04 -0.81 -1.30 113.70 110.19 5azu s SER 4 Ca 0.00 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 5azu s SER 4 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 5azu s SER 4 CO 0.00 -0.81 0.04 0.54 0.98 0.00 0.00 173.24 173.99 5azu s VAL 5 N -3.16 0.07 -0.16 5.02 0.11 0.48 0.21 120.40 122.97 5azu s VAL 5 Ca -0.01 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 5azu s VAL 5 Cb 0.00 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 5azu s VAL 5 CO -0.07 -0.33 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.52 5azu s ASP 6 N -1.02 4.79 0.03 3.54 1.11 -1.26 -0.84 116.67 123.01 5azu s ASP 6 Ca -0.11 -0.13 0.02 0.00 0.18 0.00 0.00 52.55 52.51 5azu s ASP 6 Cb -0.07 -1.78 -0.02 0.00 1.07 0.00 0.00 42.92 42.12 5azu s ASP 6 CO -0.00 0.17 -0.07 -0.51 1.18 0.00 0.00 175.17 175.94 5azu s ILE 7 N 0.37 0.50 0.03 0.77 2.07 0.11 -4.94 121.20 120.10 5azu s ILE 7 Ca -0.04 -0.89 0.07 0.00 -1.41 0.00 0.00 60.65 58.38 5azu s ILE 7 Cb -0.14 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 5azu s ILE 7 CO 0.03 -0.28 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.47 5azu s GLN 8 N -1.27 1.44 -0.15 3.50 -0.21 -1.26 -1.70 119.66 120.02 5azu s GLN 8 Ca -0.08 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.42 5azu s GLN 8 Cb -0.08 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.41 5azu s GLN 8 CO 0.00 0.40 -0.17 0.20 -2.12 0.00 0.00 175.29 173.59 5azu s GLY 9 N -1.02 1.44 0.42 3.09 0.00 -0.63 -1.24 107.32 109.38 5azu s GLY 9 Ca 0.07 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.77 5azu s GLY 9 CO 0.01 0.02 0.32 1.16 0.00 0.00 0.00 173.10 174.60 5azu n ASN 10 N 4.07 2.33 0.00 1.64 0.23 -0.80 -3.84 115.26 118.89 5azu n ASN 10 Ca -0.19 -2.44 0.09 0.00 -0.53 0.00 0.00 54.58 51.50 5azu n ASN 10 Cb 0.52 -0.04 0.48 0.00 -2.08 0.00 0.00 39.78 38.66 5azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 5azu n ASP 11 N -1.88 0.00 -1.22 0.53 8.00 -1.26 -2.22 116.55 118.49 5azu n ASP 11 Ca -0.01 -0.25 0.09 0.00 0.71 0.00 0.00 54.79 55.32 5azu n ASP 11 Cb 0.48 -0.15 0.29 0.00 -0.02 0.00 0.00 41.12 41.72 5azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5azu n GLN 12 N -1.15 3.26 -3.52 -1.24 3.00 -1.26 -4.97 117.38 111.52 5azu n GLN 12 Ca 0.11 -2.64 -0.19 0.00 -0.01 0.00 0.00 57.00 54.26 5azu n GLN 12 Cb 0.10 -1.68 0.06 0.00 0.00 0.00 0.00 30.24 28.72 5azu n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 5azu n MET 13 N 0.83 -4.94 -4.38 -1.09 2.81 -0.94 -5.02 117.12 104.39 5azu n MET 13 Ca 0.21 0.74 -0.19 0.00 -1.81 0.00 0.00 57.70 56.66 5azu n MET 13 Cb 0.74 -5.50 -0.15 0.00 -0.71 0.00 0.00 33.22 27.60 5azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 5azu s GLN 14 N -5.47 0.75 0.29 0.03 -0.21 -1.26 -4.42 119.66 109.36 5azu s GLN 14 Ca 0.11 -0.33 -0.08 0.00 0.02 0.00 0.00 55.36 55.08 5azu s GLN 14 Cb -0.02 -0.72 -0.06 0.00 1.00 0.00 0.00 33.01 33.20 5azu s GLN 14 CO 0.77 0.19 0.59 -0.06 -2.12 0.00 0.00 175.29 174.67 5azu s PHE 15 N -0.20 3.45 -2.07 0.91 0.08 -1.26 -1.91 117.98 116.98 5azu s PHE 15 Ca 0.03 0.81 0.16 0.00 0.12 0.00 0.00 56.93 58.06 5azu s PHE 15 Cb -0.04 -2.23 0.82 0.00 -0.57 0.00 0.00 43.02 41.00 5azu s PHE 15 CO -0.00 0.16 1.54 0.27 -0.10 0.00 0.00 175.22 177.09 5azu n ASN 16 N -0.66 0.51 -3.82 1.36 6.94 -0.37 -4.79 115.26 114.43 5azu n ASN 16 Ca -0.00 -1.61 -0.10 0.00 -0.02 0.00 0.00 54.58 52.85 5azu n ASN 16 Cb 0.53 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.84 5azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 5azu s THR 17 N -1.92 0.11 0.00 5.53 -1.32 -1.26 -4.98 115.64 111.80 5azu s THR 17 Ca 0.25 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 5azu s THR 17 Cb 0.12 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 5azu s THR 17 CO 0.19 -0.49 0.56 -0.46 -2.21 0.00 0.00 174.62 172.21 5azu n ASN 18 N 0.47 0.94 -3.69 8.08 0.23 -1.26 -4.85 115.26 115.17 5azu n ASN 18 Ca -0.18 -1.31 -0.11 0.00 -0.53 0.00 0.00 54.58 52.45 5azu n ASN 18 Cb 0.60 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.18 5azu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 5azu s ALA 19 N -0.31 -0.84 -0.08 -2.53 0.00 -1.26 -1.75 121.76 114.99 5azu s ALA 19 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.27 5azu s ALA 19 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 5azu s ALA 19 CO 0.00 -0.45 -0.23 0.42 0.00 0.00 0.00 175.76 175.50 5azu s ILE 20 N 1.89 2.21 -0.08 0.00 1.01 0.00 -4.96 121.20 121.28 5azu s ILE 20 Ca -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.62 5azu s ILE 20 Cb -0.11 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 5azu s ILE 20 CO -0.11 0.56 -0.11 -0.89 0.00 0.00 0.00 174.94 174.40 5azu s THR 21 N -0.01 3.36 -0.11 2.92 2.01 -1.26 -0.92 115.64 121.63 5azu s THR 21 Ca -0.08 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.35 5azu s THR 21 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 5azu s THR 21 CO 0.05 0.58 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.68 5azu s VAL 22 N -0.52 2.56 0.09 3.82 1.01 0.91 -4.93 120.40 123.34 5azu s VAL 22 Ca 0.07 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 5azu s VAL 22 Cb -0.12 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 5azu s VAL 22 CO 0.02 0.55 0.89 -0.62 0.00 0.00 0.00 175.10 175.93 5azu s ASP 23 N 0.27 7.39 0.56 3.32 2.15 -1.26 -1.43 116.67 127.67 5azu s ASP 23 Ca -0.13 1.66 0.25 0.00 0.43 0.00 0.00 52.55 54.76 5azu s ASP 23 Cb -0.17 -2.54 1.54 0.00 -0.30 0.00 0.00 42.92 41.45 5azu s ASP 23 CO 0.07 -0.03 2.11 0.11 -0.17 0.00 0.00 175.17 177.26 5azu h LYS 24 N 5.61 0.00 0.00 4.34 1.57 -1.18 -1.07 116.57 125.84 5azu h LYS 24 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 5azu h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 5azu h LYS 24 CO 0.71 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.46 5azu n SER 25 N -4.10 0.00 -4.70 0.86 3.41 -1.26 -4.75 113.62 103.08 5azu n SER 25 Ca 0.01 -0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.96 5azu n SER 25 Cb 0.29 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 5azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5azu h LYS 27 N 6.98 0.21 -4.01 0.00 6.56 -1.89 -3.42 116.57 121.01 5azu h LYS 27 Ca -0.38 -0.15 -0.12 0.00 -1.06 0.00 0.00 60.65 58.94 5azu h LYS 27 Cb 1.20 0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 32.74 5azu h LYS 27 CO 0.81 0.75 -0.41 1.14 -2.06 0.00 0.00 179.45 179.68 5azu s GLN 28 N -3.74 1.05 -0.01 3.15 -2.07 -1.26 -1.84 119.66 114.95 5azu s GLN 28 Ca -0.04 -1.21 0.01 0.00 -1.82 0.00 0.00 55.36 52.31 5azu s GLN 28 Cb 0.12 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.38 5azu s GLN 28 CO 0.79 -0.36 -0.04 0.12 -1.32 0.00 0.00 175.29 174.48 5azu s PHE 29 N -3.97 0.42 -0.08 9.60 5.36 -0.51 -4.84 117.98 123.96 5azu s PHE 29 Ca 0.17 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 5azu s PHE 29 Cb 0.05 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 5azu s PHE 29 CO -0.01 -0.02 -0.18 0.99 -1.46 0.00 0.00 175.22 174.54 5azu s THR 30 N -0.03 2.64 -0.16 0.12 2.01 -0.42 -1.16 115.64 118.64 5azu s THR 30 Ca 0.01 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 5azu s THR 30 Cb -0.03 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 5azu s THR 30 CO -0.00 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 5azu s VAL 31 N -0.10 2.98 -0.33 3.82 1.01 0.11 -0.39 120.40 127.51 5azu s VAL 31 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 5azu s VAL 31 Cb -0.14 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.02 5azu s VAL 31 CO 0.04 0.50 0.06 0.20 0.00 0.00 0.00 175.10 175.90 5azu s ASN 32 N 0.72 5.07 -0.13 3.32 0.01 -0.02 -1.64 114.94 122.27 5azu s ASN 32 Ca -0.06 -1.33 -0.11 0.00 -0.71 0.00 0.00 52.86 50.66 5azu s ASN 32 Cb -0.15 -1.78 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 5azu s ASN 32 CO 0.02 -0.32 0.22 -0.22 -1.51 0.00 0.00 177.10 175.29 5azu s LEU 33 N 1.29 4.32 0.13 0.60 2.96 0.16 -0.71 118.68 127.43 5azu s LEU 33 Ca -0.02 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 5azu s LEU 33 Cb -0.20 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 5azu s LEU 33 CO -0.00 0.25 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.29 5azu s SER 34 N -0.28 1.26 -0.38 3.68 1.04 -0.69 -1.62 113.70 116.71 5azu s SER 34 Ca 0.15 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.55 5azu s SER 34 Cb -0.13 0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.19 5azu s SER 34 CO 0.04 -0.48 0.12 -2.28 0.98 0.00 0.00 173.24 171.63 5azu s HIS 35 N -3.59 3.11 -0.87 5.02 2.46 -0.90 -1.60 115.29 118.91 5azu s HIS 35 Ca 0.16 -2.77 0.00 0.00 0.47 0.00 0.00 55.06 52.93 5azu s HIS 35 Cb 0.05 -2.59 0.00 0.00 -0.13 0.00 0.00 32.58 29.91 5azu s HIS 35 CO -0.01 -0.88 0.52 -0.35 -2.47 0.00 0.00 174.74 171.55 5azu n PRO 36 N 4.04 0.92 -1.93 2.88 -0.04 -1.25 -1.05 135.00 138.58 5azu n PRO 36 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 5azu n PRO 36 Cb 0.39 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 5azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 5azu n GLY 37 N 0.10 2.13 0.08 0.55 0.00 -1.26 -4.92 105.19 101.87 5azu n GLY 37 Ca 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 46.02 43.86 5azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5azu n ASN 38 N -2.58 0.70 -4.80 1.61 4.13 -1.26 -3.74 115.26 109.33 5azu n ASN 38 Ca 0.05 -0.85 -0.38 0.00 1.68 0.00 0.00 54.58 55.09 5azu n ASN 38 Cb 0.25 0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 39.00 5azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 5azu s LEU 39 N -1.44 4.45 0.87 3.41 1.43 -1.26 -4.81 118.68 121.34 5azu s LEU 39 Ca 0.03 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 5azu s LEU 39 Cb 0.03 -3.45 0.11 0.00 0.03 0.00 0.00 46.19 42.92 5azu s LEU 39 CO 0.12 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 5azu s PRO 40 N -1.60 1.49 0.25 1.29 0.04 -1.26 -1.53 135.00 133.69 5azu s PRO 40 Ca 0.40 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 5azu s PRO 40 Cb -0.19 -1.82 0.43 0.00 0.04 0.00 0.00 34.50 32.95 5azu s PRO 40 CO 0.23 -2.12 1.80 -0.22 0.04 0.00 0.00 177.00 176.73 5azu h LYS 41 N -1.47 0.73 0.00 4.56 3.64 -1.84 0.55 116.57 122.73 5azu h LYS 41 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 5azu h LYS 41 Cb 1.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 5azu h LYS 41 CO 0.53 0.48 0.00 -2.95 -2.27 0.00 0.00 179.45 175.24 5azu h ASN 42 N 0.75 0.00 0.00 4.20 -1.07 -1.96 0.50 115.58 118.00 5azu h ASN 42 Ca 0.41 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.41 5azu h ASN 42 Cb 0.44 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.63 5azu h ASN 42 CO -0.28 0.00 -2.36 0.52 0.07 0.00 0.00 177.43 175.39 5azu n VAL 43 N -2.67 1.36 -2.77 6.14 0.31 -0.65 -4.77 118.33 115.29 5azu n VAL 43 Ca 0.00 -0.48 -0.03 0.00 -0.01 0.00 0.00 64.34 63.83 5azu n VAL 43 Cb 0.21 -1.46 0.06 0.00 -0.91 0.00 0.00 33.84 31.74 5azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 5azu n MET 44 N -3.42 1.51 -2.15 5.55 0.00 0.09 -5.03 117.12 113.66 5azu n MET 44 Ca -0.44 -3.13 -0.38 0.00 0.00 0.00 0.00 57.70 53.75 5azu n MET 44 Cb 0.92 -1.23 -0.00 0.00 0.00 0.00 0.00 33.22 32.91 5azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 5azu s GLY 45 N -3.23 2.83 0.02 -5.12 0.00 0.16 -4.72 107.32 97.25 5azu s GLY 45 Ca 0.25 1.05 0.03 0.00 0.00 0.00 0.00 44.72 46.05 5azu s GLY 45 CO -0.03 1.54 -0.09 0.30 0.00 0.00 0.00 173.10 174.82 5azu s HIS 46 N -1.45 0.78 0.18 1.90 3.76 -0.16 -4.67 115.29 115.63 5azu s HIS 46 Ca 0.63 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.23 5azu s HIS 46 Cb -0.32 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.85 5azu s HIS 46 CO 0.39 -0.02 0.09 0.54 -0.85 0.00 0.00 174.74 174.89 5azu s ASN 47 N -0.90 0.48 -0.16 1.40 2.20 -1.26 -0.87 114.94 115.84 5azu s ASN 47 Ca -0.02 -1.31 0.02 0.00 -0.94 0.00 0.00 52.86 50.61 5azu s ASN 47 Cb -0.06 0.29 0.02 0.00 -2.00 0.00 0.00 41.25 39.49 5azu s ASN 47 CO 0.00 -0.76 -0.20 0.86 -2.94 0.00 0.00 177.10 174.07 5azu s TRP 48 N -4.00 2.64 -0.03 1.54 -0.00 -1.26 -4.07 118.94 113.75 5azu s TRP 48 Ca 0.32 -1.46 0.04 0.00 -0.00 0.00 0.00 56.10 55.00 5azu s TRP 48 Cb 0.07 -1.82 -0.00 0.00 -0.00 0.00 0.00 33.47 31.72 5azu s TRP 48 CO 0.08 -0.71 -0.13 0.08 -0.00 0.00 0.00 176.95 176.27 5azu s VAL 49 N 1.12 1.11 -0.06 5.86 1.01 -0.37 -1.09 120.40 127.97 5azu s VAL 49 Ca -0.00 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 5azu s VAL 49 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 5azu s VAL 49 CO -0.08 0.32 -0.24 -0.22 0.00 0.00 0.00 175.10 174.88 5azu s LEU 50 N -0.02 2.05 0.33 3.92 2.96 -0.32 -1.41 118.68 126.19 5azu s LEU 50 Ca -0.01 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 5azu s LEU 50 Cb -0.09 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.28 5azu s LEU 50 CO 0.01 0.22 0.51 -0.94 -1.32 0.00 0.00 176.35 174.83 5azu s SER 51 N -0.08 0.60 0.81 3.68 1.04 -0.90 -1.17 113.70 117.67 5azu s SER 51 Ca -0.06 -1.34 -0.11 0.00 0.48 0.00 0.00 55.95 54.93 5azu s SER 51 Cb -0.14 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.73 5azu s SER 51 CO 0.04 -1.31 1.09 0.42 0.98 0.00 0.00 173.24 174.46 5azu s THR 52 N -3.15 3.12 0.34 2.02 -4.23 -1.26 -1.37 115.64 111.11 5azu s THR 52 Ca 0.27 0.36 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 5azu s THR 52 Cb -0.01 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.23 5azu s THR 52 CO 0.17 -0.48 1.95 0.00 -0.54 0.00 0.00 174.62 175.72 5azu h ALA 53 N -1.26 1.46 -0.76 3.99 0.00 -1.30 -2.43 119.26 118.95 5azu h ALA 53 Ca -0.45 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.37 5azu h ALA 53 Cb 1.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 5azu h ALA 53 CO 0.51 0.43 0.49 0.00 0.00 0.00 0.00 179.25 180.68 5azu h ALA 54 N 1.54 0.99 0.00 0.00 0.00 -1.91 -3.13 119.26 116.75 5azu h ALA 54 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 5azu h ALA 54 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 5azu h ALA 54 CO -0.02 0.31 -0.39 -0.25 0.00 0.00 0.00 179.25 178.91 5azu n ASP 55 N -4.60 0.39 -0.18 0.00 8.00 -0.95 -4.44 116.55 114.77 5azu n ASP 55 Ca 0.08 -0.06 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 5azu n ASP 55 Cb 0.07 0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.30 5azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 5azu h MET 56 N 0.00 0.06 -0.67 -1.24 1.85 -1.41 -1.49 114.93 112.03 5azu h MET 56 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 5azu h MET 56 Cb 0.51 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 5azu h MET 56 CO 0.00 0.04 0.42 0.37 -0.40 0.00 0.00 176.91 177.34 5azu h GLN 57 N 0.07 0.90 -0.67 0.39 5.75 -1.81 -0.43 115.11 119.32 5azu h GLN 57 Ca 0.28 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 5azu h GLN 57 Cb 0.43 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 5azu h GLN 57 CO -0.51 0.62 0.40 0.78 -2.65 0.00 0.00 178.83 177.47 5azu h GLY 58 N 0.91 0.97 0.94 2.39 0.00 -1.75 -0.28 103.07 106.25 5azu h GLY 58 Ca 0.24 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 5azu h GLY 58 CO -0.05 0.40 0.15 -2.08 0.00 0.00 0.00 176.54 174.95 5azu h VAL 59 N 0.91 1.16 0.18 4.60 2.07 -0.32 -1.38 116.25 123.46 5azu h VAL 59 Ca 0.24 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 5azu h VAL 59 Cb -0.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 5azu h VAL 59 CO -0.04 0.16 -0.09 0.58 0.02 0.00 0.00 177.57 178.20 5azu h VAL 60 N 0.36 0.85 -0.14 2.57 2.07 -0.90 0.38 116.25 121.45 5azu h VAL 60 Ca 0.11 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.51 5azu h VAL 60 Cb 0.13 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 5azu h VAL 60 CO -0.01 0.03 0.01 0.74 0.02 0.00 0.00 177.57 178.36 5azu h THR 61 N -0.30 0.92 0.00 2.57 2.02 -1.00 -1.50 112.91 115.61 5azu h THR 61 Ca -0.02 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 5azu h THR 61 Cb 0.23 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 5azu h THR 61 CO 0.04 0.01 -0.40 0.44 0.37 0.00 0.00 175.52 175.98 5azu h ASP 62 N 0.06 0.00 -0.27 4.18 3.32 -1.24 -2.78 116.42 119.69 5azu h ASP 62 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 5azu h ASP 62 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 5azu h ASP 62 CO -0.10 0.40 0.08 1.23 -1.72 0.00 0.00 179.24 179.13 5azu h GLY 63 N 1.48 0.46 0.62 2.75 0.00 -0.59 -2.64 103.07 105.15 5azu h GLY 63 Ca -0.00 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.12 5azu h GLY 63 CO 0.05 0.26 0.41 1.98 0.00 0.00 0.00 176.54 179.24 5azu h MET 64 N 0.27 0.71 0.00 4.80 1.85 -1.02 -0.21 114.93 121.33 5azu h MET 64 Ca 0.09 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 5azu h MET 64 Cb 0.26 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.13 5azu h MET 64 CO -0.00 0.47 0.00 0.00 -0.40 0.00 0.00 176.91 176.98 5azu n ALA 65 N -2.37 2.18 0.13 0.39 0.00 -1.08 -3.51 120.51 116.26 5azu n ALA 65 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.46 5azu n ALA 65 Cb 0.21 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.29 5azu n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 5azu h SER 66 N 0.00 0.00 -5.00 0.00 0.02 -0.66 -3.50 113.55 104.41 5azu h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 5azu h SER 66 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 5azu h SER 66 CO 0.00 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 5azu n GLY 67 N 1.20 1.78 0.25 -3.77 0.00 -1.23 -4.24 105.19 99.18 5azu n GLY 67 Ca 0.02 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 5azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5azu h LEU 68 N 0.00 0.87 -2.55 0.99 5.85 -1.94 -1.74 115.31 116.79 5azu h LEU 68 Ca 0.00 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 5azu h LEU 68 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 5azu h LEU 68 CO 0.00 1.02 -0.00 -2.24 -0.34 0.00 0.00 178.44 176.88 5azu h ASP 69 N 0.70 0.00 -0.60 1.25 2.03 -2.03 -0.37 116.42 117.42 5azu h ASP 69 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 5azu h ASP 69 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 5azu h ASP 69 CO 0.04 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.54 5azu n LYS 70 N -3.72 3.67 -2.68 4.15 4.76 -0.90 -4.94 118.16 118.49 5azu n LYS 70 Ca -0.03 -2.69 -0.19 0.00 -2.87 0.00 0.00 58.31 52.54 5azu n LYS 70 Cb 0.08 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 5azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 5azu n ASP 71 N 0.99 -4.95 -4.21 4.39 9.92 -0.15 -2.24 116.55 120.31 5azu n ASP 71 Ca 0.24 -0.05 -0.32 0.00 -0.53 0.00 0.00 54.79 54.13 5azu n ASP 71 Cb 0.87 -4.11 -0.05 0.00 -0.64 0.00 0.00 41.12 37.19 5azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 5azu n TYR 72 N -3.89 -1.51 -3.86 1.24 4.01 -0.70 -4.73 117.16 107.72 5azu n TYR 72 Ca -0.15 0.72 -0.15 0.00 -0.16 0.00 0.00 57.90 58.16 5azu n TYR 72 Cb 0.63 -3.01 -0.16 0.00 -0.31 0.00 0.00 39.34 36.49 5azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 5azu s LEU 73 N -7.20 1.27 0.12 7.72 1.43 -0.95 -4.24 118.68 116.83 5azu s LEU 73 Ca 0.34 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 5azu s LEU 73 Cb -0.19 -0.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.82 5azu s LEU 73 CO 0.95 -0.09 1.61 -0.75 0.23 0.00 0.00 176.35 178.30 5azu s LYS 74 N 0.86 4.20 0.17 1.70 2.20 -1.26 -4.86 119.74 122.76 5azu s LYS 74 Ca -0.08 2.36 -0.33 0.00 -0.36 0.00 0.00 55.97 57.56 5azu s LYS 74 Cb -0.11 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.72 5azu s LYS 74 CO -0.02 -0.67 1.65 -2.30 -0.36 0.00 0.00 175.35 173.66 5azu n PRO 75 N 4.71 2.44 -3.82 4.03 -0.02 -1.26 -2.60 135.00 138.49 5azu n PRO 75 Ca 0.15 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.22 5azu n PRO 75 Cb 0.39 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.22 5azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 5azu n ASP 76 N 3.79 -5.13 -4.66 2.55 8.00 -1.26 -4.89 116.55 114.96 5azu n ASP 76 Ca 0.17 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 5azu n ASP 76 Cb 0.32 -4.08 -0.03 0.00 -0.02 0.00 0.00 41.12 37.31 5azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5azu s ASP 77 N -3.26 6.62 0.50 -2.24 -1.08 -1.07 -4.87 116.67 111.27 5azu s ASP 77 Ca 0.64 2.19 0.26 0.00 -0.52 0.00 0.00 52.55 55.11 5azu s ASP 77 Cb -0.31 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 39.95 5azu s ASP 77 CO 0.79 -0.97 2.02 0.77 0.52 0.00 0.00 175.17 178.30 5azu h SER 78 N 9.75 0.00 1.42 -0.34 4.64 -1.92 -2.75 113.55 124.35 5azu h SER 78 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 5azu h SER 78 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 5azu h SER 78 CO 0.96 0.15 0.00 0.03 -0.87 0.00 0.00 176.83 177.09 5azu h ARG 79 N 0.00 0.00 -5.86 4.77 3.08 -1.98 -3.44 114.38 110.96 5azu h ARG 79 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 5azu h ARG 79 Cb 0.41 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 5azu h ARG 79 CO 0.02 0.00 0.46 0.08 -1.07 0.00 0.00 179.97 179.46 5azu s VAL 80 N -3.25 4.73 0.09 2.04 1.01 -1.04 -4.51 120.40 119.47 5azu s VAL 80 Ca 0.07 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 5azu s VAL 80 Cb 0.09 -4.21 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 5azu s VAL 80 CO 0.57 -0.34 1.24 0.40 0.00 0.00 0.00 175.10 176.97 5azu h ILE 81 N 5.67 1.28 -1.91 2.22 2.04 -1.44 -3.47 117.51 121.91 5azu h ILE 81 Ca -0.24 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 63.44 5azu h ILE 81 Cb 1.09 2.25 -0.20 0.00 -0.74 0.00 0.00 36.82 39.22 5azu h ILE 81 CO 0.91 0.68 0.30 0.00 0.00 0.00 0.00 178.15 180.04 5azu s ALA 82 N -3.46 -1.81 0.14 1.87 0.00 -1.24 -5.00 121.76 112.26 5azu s ALA 82 Ca -0.10 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 5azu s ALA 82 Cb 0.08 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.08 5azu s ALA 82 CO 0.91 -0.37 0.53 -3.38 0.00 0.00 0.00 175.76 173.46 5azu s HIS 83 N -1.27 -0.43 0.54 0.00 -3.43 -1.26 -1.18 115.29 108.26 5azu s HIS 83 Ca -0.08 0.22 0.09 0.00 -0.80 0.00 0.00 55.06 54.49 5azu s HIS 83 Cb -0.00 0.45 0.06 0.00 -1.43 0.00 0.00 32.58 31.66 5azu s HIS 83 CO 0.07 -0.78 0.70 0.95 -2.00 0.00 0.00 174.74 173.68 5azu s THR 84 N -3.61 2.29 0.90 -5.38 -4.23 -0.25 -4.81 115.64 100.56 5azu s THR 84 Ca 0.01 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.34 5azu s THR 84 Cb -0.00 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.63 5azu s THR 84 CO -0.11 0.00 1.15 -0.54 -0.54 0.00 0.00 174.62 174.58 5azu s LYS 85 N -4.55 1.23 -0.13 3.99 -0.14 -1.26 -4.64 119.74 114.23 5azu s LYS 85 Ca 0.58 0.22 -0.22 0.00 -1.36 0.00 0.00 55.97 55.18 5azu s LYS 85 Cb -0.06 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 5azu s LYS 85 CO 0.36 -2.12 0.68 -1.17 -0.76 0.00 0.00 175.35 172.34 5azu s LEU 86 N -5.96 4.23 0.20 3.17 2.96 -1.26 -4.43 118.68 117.58 5azu s LEU 86 Ca 0.64 1.03 0.10 0.00 -0.22 0.00 0.00 54.13 55.68 5azu s LEU 86 Cb -0.14 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 5azu s LEU 86 CO 0.52 -0.21 -0.20 0.27 -1.32 0.00 0.00 176.35 175.41 5azu s ILE 87 N 1.39 2.11 0.21 6.68 -4.36 -0.05 -4.88 121.20 122.30 5azu s ILE 87 Ca 0.34 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 5azu s ILE 87 Cb -0.17 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.52 5azu s ILE 87 CO 0.14 -0.28 0.06 0.61 0.24 0.00 0.00 174.94 175.71 5azu n GLY 88 N 0.09 3.54 3.29 6.27 0.00 -1.26 -0.99 105.19 116.12 5azu n GLY 88 Ca -0.11 -2.25 -0.56 0.00 0.00 0.00 0.00 46.02 43.09 5azu n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 5azu n SER 89 N -1.45 0.15 0.00 1.61 2.88 -0.58 -1.77 113.62 114.46 5azu n SER 89 Ca -0.05 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 5azu n SER 89 Cb 0.25 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 5azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 5azu n GLY 90 N 1.72 0.56 4.00 0.46 0.00 -0.21 -4.99 105.19 106.72 5azu n GLY 90 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 5azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5azu s GLU 91 N -0.44 2.38 -0.09 1.61 2.02 -0.73 -4.90 118.70 118.56 5azu s GLU 91 Ca 0.00 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 53.75 5azu s GLU 91 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.72 5azu s GLU 91 CO 0.00 -0.80 0.36 0.21 0.02 0.00 0.00 175.26 175.05 5azu s LYS 92 N -4.73 0.55 0.01 1.61 2.47 -1.26 -2.13 119.74 116.26 5azu s LYS 92 Ca 0.59 0.22 -0.26 0.00 -1.56 0.00 0.00 55.97 54.96 5azu s LYS 92 Cb -0.08 0.26 0.06 0.00 -1.46 0.00 0.00 37.83 36.60 5azu s LYS 92 CO 0.39 -0.12 0.59 0.34 0.16 0.00 0.00 175.35 176.71 5azu s ASP 93 N -0.47 -0.54 0.10 1.43 2.15 -0.64 -5.03 116.67 113.67 5azu s ASP 93 Ca -0.06 0.40 0.04 0.00 0.43 0.00 0.00 52.55 53.36 5azu s ASP 93 Cb -0.04 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 5azu s ASP 93 CO 0.02 -0.69 -0.12 -0.44 -0.17 0.00 0.00 175.17 173.78 5azu s SER 94 N -1.67 1.63 -0.04 -0.34 0.01 -1.26 -0.66 113.70 111.36 5azu s SER 94 Ca -0.08 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 5azu s SER 94 Cb -0.01 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.23 5azu s SER 94 CO 0.03 -0.21 0.10 0.54 0.41 0.00 0.00 173.24 174.10 5azu s VAL 95 N -2.25 -0.03 -0.13 3.43 0.11 -0.65 -4.88 120.40 116.00 5azu s VAL 95 Ca 0.06 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 5azu s VAL 95 Cb -0.04 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 5azu s VAL 95 CO 0.01 0.04 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.80 5azu s THR 96 N 0.64 3.00 0.13 5.04 2.01 -1.26 -0.71 115.64 124.49 5azu s THR 96 Ca -0.05 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.32 5azu s THR 96 Cb -0.07 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 5azu s THR 96 CO -0.03 0.53 -0.11 0.72 -0.69 0.00 0.00 174.62 175.04 5azu s PHE 97 N 0.33 1.27 -0.01 4.92 -0.71 -0.31 -4.95 117.98 118.51 5azu s PHE 97 Ca -0.11 -0.69 -0.30 0.00 -1.04 0.00 0.00 56.93 54.79 5azu s PHE 97 Cb -0.16 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 5azu s PHE 97 CO 0.06 0.09 1.19 -0.51 -1.34 0.00 0.00 175.22 174.71 5azu s ASP 98 N -2.87 7.07 0.26 1.98 1.11 -1.26 -1.42 116.67 121.53 5azu s ASP 98 Ca 0.13 1.88 0.23 0.00 0.18 0.00 0.00 52.55 54.97 5azu s ASP 98 Cb -0.00 -2.57 0.98 0.00 1.07 0.00 0.00 42.92 42.40 5azu s ASP 98 CO 0.01 -0.53 1.70 0.52 1.18 0.00 0.00 175.17 178.05 5azu n VAL 99 N 4.35 0.84 0.31 -1.27 0.31 -0.76 -1.87 118.33 120.24 5azu n VAL 99 Ca 0.10 0.25 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 5azu n VAL 99 Cb 0.46 -1.18 0.68 0.00 -0.91 0.00 0.00 33.84 32.90 5azu n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 5azu h SER 100 N 0.00 0.00 0.45 4.52 4.64 -1.90 -1.87 113.55 119.39 5azu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5azu h SER 100 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 5azu h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 5azu n LYS 101 N -2.64 0.33 -4.47 4.77 5.02 -0.78 -4.71 118.16 115.69 5azu n LYS 101 Ca 0.00 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 5azu n LYS 101 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 5azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 5azu s LEU 102 N -2.57 3.32 0.23 -0.35 1.43 -0.71 -5.11 118.68 114.92 5azu s LEU 102 Ca 0.22 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.41 5azu s LEU 102 Cb 0.16 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 5azu s LEU 102 CO 0.36 0.33 -0.17 -1.59 0.23 0.00 0.00 176.35 175.51 5azu s LYS 103 N -1.13 1.78 0.32 1.70 -2.85 -1.26 -5.04 119.74 113.26 5azu s LYS 103 Ca 0.15 -1.55 -0.27 0.00 -1.00 0.00 0.00 55.97 53.30 5azu s LYS 103 Cb -0.11 -1.92 -0.09 0.00 -2.06 0.00 0.00 37.83 33.65 5azu s LYS 103 CO 0.05 0.38 1.01 -2.00 0.10 0.00 0.00 175.35 174.89 5azu s GLU 104 N -3.12 4.53 0.00 1.78 2.12 -1.26 -3.70 118.70 119.04 5azu s GLU 104 Ca 0.26 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.12 5azu s GLU 104 Cb -0.07 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.42 5azu s GLU 104 CO 0.14 0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 5azu n GLY 105 N 0.82 0.44 3.23 -1.50 0.00 -1.26 -5.04 105.19 101.86 5azu n GLY 105 Ca 0.01 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 5azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 5azu s GLU 106 N -2.73 1.47 -0.17 1.61 2.12 -1.24 -5.13 118.70 114.62 5azu s GLU 106 Ca 0.00 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 5azu s GLU 106 Cb 0.00 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 5azu s GLU 106 CO 0.00 0.40 0.21 -0.65 -0.54 0.00 0.00 175.26 174.67 5azu s GLN 107 N -0.86 4.14 0.13 4.30 -0.21 -1.26 -4.90 119.66 121.01 5azu s GLN 107 Ca 0.07 -0.06 0.09 0.00 0.02 0.00 0.00 55.36 55.48 5azu s GLN 107 Cb -0.08 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 5azu s GLN 107 CO 0.01 0.33 -0.19 0.71 -2.12 0.00 0.00 175.29 174.03 5azu s TYR 108 N 0.23 2.51 0.01 0.91 2.02 -1.23 -0.90 117.35 120.90 5azu s TYR 108 Ca 0.13 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 5azu s TYR 108 Cb -0.12 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 5azu s TYR 108 CO 0.01 0.40 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.62 5azu s MET 109 N -2.24 1.03 0.07 -0.62 -1.94 -0.47 -1.43 119.30 113.70 5azu s MET 109 Ca 0.18 -0.62 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 5azu s MET 109 Cb -0.10 -1.02 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 5azu s MET 109 CO 0.10 0.27 -0.13 -0.59 -0.01 0.00 0.00 175.02 174.66 5azu s PHE 110 N -0.58 2.69 0.17 -0.03 -0.12 -0.13 -2.13 117.98 117.85 5azu s PHE 110 Ca 0.04 -0.18 -0.24 0.00 -0.05 0.00 0.00 56.93 56.50 5azu s PHE 110 Cb -0.07 -1.46 0.06 0.00 -0.63 0.00 0.00 43.02 40.92 5azu s PHE 110 CO 0.00 0.37 0.84 -0.59 -0.05 0.00 0.00 175.22 175.79 5azu s PHE 111 N -1.09 -0.22 -0.12 3.49 -0.71 -0.50 -1.00 117.98 117.83 5azu s PHE 111 Ca 0.18 -0.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.93 5azu s PHE 111 Cb -0.11 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 5azu s PHE 111 CO 0.10 -0.91 0.05 0.00 -1.34 0.00 0.00 175.22 173.11 5azu n THR 113 N 2.44 0.51 -1.74 0.00 -2.24 -1.26 -3.25 114.28 108.73 5azu n THR 113 Ca -0.18 -0.75 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 5azu n THR 113 Cb 0.54 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.73 5azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 5azu n PHE 114 N 1.41 2.78 -1.71 4.78 -0.00 -1.26 -4.55 117.46 118.91 5azu n PHE 114 Ca 0.18 0.37 -0.58 0.00 -0.00 0.00 0.00 57.45 57.42 5azu n PHE 114 Cb 0.58 -2.54 -0.07 0.00 -0.00 0.00 0.00 39.48 37.45 5azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 5azu n PRO 115 N 1.39 1.08 0.00 -7.13 -0.02 -1.26 -1.35 135.00 127.71 5azu n PRO 115 Ca 0.06 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 5azu n PRO 115 Cb 0.37 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 5azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5azu n GLY 116 N 4.15 2.67 0.14 -1.23 0.00 -1.26 -4.91 105.19 104.75 5azu n GLY 116 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.31 5azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 5azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.49 -3.34 115.15 115.79 5azu h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 5azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 5azu h HIS 117 CO 0.00 0.52 -0.03 0.66 0.86 0.00 0.00 177.93 179.93 5azu h SER 118 N 0.00 0.00 0.17 2.45 4.64 -1.73 0.34 113.55 119.42 5azu h SER 118 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 5azu h SER 118 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 5azu h SER 118 CO 0.07 0.03 -0.19 0.00 -0.87 0.00 0.00 176.83 175.87 5azu h ALA 119 N 1.97 1.64 0.00 5.18 0.00 -1.91 -3.26 119.26 122.87 5azu h ALA 119 Ca -0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 5azu h ALA 119 Cb 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 5azu h ALA 119 CO 0.00 0.27 -1.68 1.28 0.00 0.00 0.00 179.25 179.12 5azu n LEU 120 N -4.29 0.00 -4.20 0.00 4.77 -0.41 -4.86 117.00 108.01 5azu n LEU 120 Ca -0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 5azu n LEU 120 Cb 0.26 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 5azu n LEU 120 CO 0.37 0.22 0.24 -0.04 -1.33 0.00 0.00 177.39 176.85 5azu s MET 121 N -2.32 3.09 0.01 3.23 -1.94 0.11 -4.75 119.30 116.73 5azu s MET 121 Ca -0.05 -2.58 -0.28 0.00 -1.71 0.00 0.00 55.69 51.07 5azu s MET 121 Cb 0.04 -4.06 0.08 0.00 2.01 0.00 0.00 34.83 32.90 5azu s MET 121 CO 0.43 -1.23 0.71 -1.59 -0.01 0.00 0.00 175.02 173.33 5azu s LYS 122 N -0.10 1.06 0.20 2.03 0.00 -1.26 -2.02 119.74 119.65 5azu s LYS 122 Ca 0.18 -0.05 -0.22 0.00 0.00 0.00 0.00 55.97 55.88 5azu s LYS 122 Cb -0.15 0.49 0.07 0.00 0.00 0.00 0.00 37.83 38.24 5azu s LYS 122 CO -0.06 -0.39 0.99 0.20 0.00 0.00 0.00 175.35 176.08 5azu s GLY 123 N -1.83 0.02 -0.02 0.59 0.00 -0.17 -4.81 107.32 101.10 5azu s GLY 123 Ca -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 5azu s GLY 123 CO -0.00 1.31 0.12 -0.51 0.00 0.00 0.00 173.10 174.01 5azu s THR 124 N -2.56 5.05 -0.07 0.90 -4.23 -0.71 -0.96 115.64 113.06 5azu s THR 124 Ca 0.18 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 5azu s THR 124 Cb -0.02 -3.31 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 5azu s THR 124 CO 0.05 0.38 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.07 5azu s LEU 125 N -1.71 2.00 -0.01 4.79 0.20 -0.51 -0.82 118.68 122.63 5azu s LEU 125 Ca 0.23 -0.48 0.04 0.00 0.69 0.00 0.00 54.13 54.61 5azu s LEU 125 Cb -0.12 -1.25 -0.01 0.00 -0.43 0.00 0.00 46.19 44.38 5azu s LEU 125 CO 0.14 0.18 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.36 5azu s THR 126 N 0.14 0.99 -0.36 3.68 2.01 -0.10 -3.47 115.64 118.53 5azu s THR 126 Ca -0.10 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 5azu s THR 126 Cb -0.15 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 5azu s THR 126 CO 0.05 0.27 0.25 -0.22 -0.69 0.00 0.00 174.62 174.28 5azu s LEU 127 N -0.32 4.65 0.00 4.42 1.98 -1.26 -0.06 118.68 128.08 5azu s LEU 127 Ca 0.05 -0.58 0.00 0.00 -2.89 0.00 0.00 54.13 50.70 5azu s LEU 127 Cb -0.05 -2.13 0.00 0.00 0.66 0.00 0.00 46.19 44.68 5azu s LEU 127 CO -0.00 -0.29 0.33 2.29 -1.89 0.00 0.00 176.35 176.78