#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 -4.62 -2.81 0.00 4.07 -1.26 -4.42 120.64 111.60 5azu n GLU 2 Ca 0.00 3.48 -0.21 0.00 -0.06 0.00 0.00 57.16 60.37 5azu n GLU 2 Cb 0.00 -5.13 0.01 0.00 -0.06 0.00 0.00 31.44 26.26 5azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 5azu s SER 4 N -2.42 -0.48 -0.04 0.00 1.04 -1.26 -1.18 113.70 109.37 5azu s SER 4 Ca 0.19 -0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 5azu s SER 4 Cb -0.09 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.60 5azu s SER 4 CO 0.23 -0.90 0.31 0.54 0.98 0.00 0.00 173.24 174.40 5azu s VAL 5 N -3.58 0.05 -0.17 5.02 0.11 -0.83 -4.32 120.40 116.68 5azu s VAL 5 Ca 0.03 -0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 5azu s VAL 5 Cb -0.01 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 5azu s VAL 5 CO -0.10 -0.21 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.60 5azu s ASP 6 N -0.98 4.54 0.06 3.54 1.11 -1.26 -0.92 116.67 122.76 5azu s ASP 6 Ca -0.10 -0.23 0.03 0.00 0.18 0.00 0.00 52.55 52.43 5azu s ASP 6 Cb -0.05 -1.74 -0.03 0.00 1.07 0.00 0.00 42.92 42.17 5azu s ASP 6 CO 0.03 0.12 -0.10 -0.51 1.18 0.00 0.00 175.17 175.89 5azu s ILE 7 N 0.64 0.79 -0.02 0.77 2.07 0.04 -4.95 121.20 120.55 5azu s ILE 7 Ca -0.03 -1.31 0.05 0.00 -1.41 0.00 0.00 60.65 57.95 5azu s ILE 7 Cb -0.15 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 5azu s ILE 7 CO 0.02 -0.40 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.38 5azu s GLN 8 N -2.00 1.48 -0.14 3.50 -0.21 -1.26 -1.34 119.66 119.68 5azu s GLN 8 Ca -0.03 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 5azu s GLN 8 Cb -0.08 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.52 5azu s GLN 8 CO 0.01 0.34 -0.10 0.20 -2.12 0.00 0.00 175.29 173.62 5azu s GLY 9 N -0.31 1.58 0.00 3.09 0.00 -0.79 -1.65 107.32 109.24 5azu s GLY 9 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.86 5azu s GLY 9 CO -0.00 -0.10 0.00 1.16 0.00 0.00 0.00 173.10 174.16 5azu n ASN 10 N 3.66 0.99 -0.04 1.64 0.23 -0.03 -4.02 115.26 117.69 5azu n ASN 10 Ca -0.18 -0.89 0.15 0.00 -0.53 0.00 0.00 54.58 53.13 5azu n ASN 10 Cb 0.52 0.00 0.85 0.00 -2.08 0.00 0.00 39.78 39.07 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 -1.79 0.15 -1.33 0.53 8.00 -1.26 -2.86 116.55 117.99 5azu n ASP 11 Ca 0.00 -0.80 0.10 0.00 0.71 0.00 0.00 54.79 54.80 5azu n ASP 11 Cb 0.00 -0.07 0.31 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.98 3.22 -3.51 -1.24 1.13 -1.26 -4.96 117.38 109.78 5azu n GLN 12 Ca 0.21 -2.69 -0.19 0.00 -1.94 0.00 0.00 57.00 52.39 5azu n GLN 12 Cb 0.17 -1.69 0.08 0.00 0.11 0.00 0.00 30.24 28.91 5azu n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 5azu n MET 13 N 1.14 -6.42 -4.27 -1.09 2.81 -1.13 -5.01 117.12 103.15 5azu n MET 13 Ca 0.23 0.80 -0.20 0.00 -1.81 0.00 0.00 57.70 56.72 5azu n MET 13 Cb 0.73 -5.73 -0.13 0.00 -0.71 0.00 0.00 33.22 27.38 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 -5.61 0.92 0.20 0.03 -0.21 -1.26 -4.25 119.66 109.48 5azu s GLN 14 Ca 0.08 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.56 5azu s GLN 14 Cb -0.04 -0.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 5azu s GLN 14 CO 0.75 0.23 0.37 -0.06 -2.12 0.00 0.00 175.29 174.46 5azu s PHE 15 N -1.08 3.48 -1.34 0.91 0.08 -1.26 -0.85 117.98 117.93 5azu s PHE 15 Ca 0.01 0.26 0.10 0.00 0.12 0.00 0.00 56.93 57.42 5azu s PHE 15 Cb -0.09 -1.79 0.39 0.00 -0.57 0.00 0.00 43.02 40.96 5azu s PHE 15 CO 0.02 0.40 1.23 0.27 -0.10 0.00 0.00 175.22 177.04 5azu n ASN 16 N -0.74 2.76 -3.72 1.36 6.94 -0.66 -4.84 115.26 116.37 5azu n ASN 16 Ca -0.06 -2.23 -0.13 0.00 -0.02 0.00 0.00 54.58 52.14 5azu n ASN 16 Cb 0.54 -0.42 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.69 0.06 -0.72 5.53 -1.32 -1.26 -4.98 115.64 111.26 5azu s THR 17 Ca 0.27 -0.49 0.07 0.00 -1.21 0.00 0.00 61.69 60.33 5azu s THR 17 Cb 0.18 -0.82 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 5azu s THR 17 CO 0.13 -0.27 0.58 0.59 -2.21 0.00 0.00 174.62 173.44 5azu n ASN 18 N 0.85 1.18 -3.70 8.08 5.03 -1.26 -4.82 115.26 120.63 5azu n ASN 18 Ca -0.20 -1.09 -0.11 0.00 0.87 0.00 0.00 54.58 54.05 5azu n ASN 18 Cb 0.58 0.33 -0.10 0.00 -1.02 0.00 0.00 39.78 39.56 5azu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 5azu s ALA 19 N -0.94 -1.12 0.01 5.41 0.00 -1.26 -1.28 121.76 122.58 5azu s ALA 19 Ca 0.07 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.63 5azu s ALA 19 Cb 0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 5azu s ALA 19 CO 0.15 -0.26 -0.24 0.42 0.00 0.00 0.00 175.76 175.83 5azu s ILE 20 N 1.13 1.88 -0.05 0.00 1.01 -0.44 -4.97 121.20 119.75 5azu s ILE 20 Ca -0.07 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.50 5azu s ILE 20 Cb -0.07 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 5azu s ILE 20 CO -0.10 0.42 -0.23 0.42 0.00 0.00 0.00 174.94 175.44 5azu s THR 21 N -0.66 1.92 -0.16 2.92 -4.23 -1.26 -1.87 115.64 112.30 5azu s THR 21 Ca 0.09 -1.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 5azu s THR 21 Cb -0.09 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 5azu s THR 21 CO 0.00 0.54 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.86 5azu s VAL 22 N -0.15 3.45 -0.00 2.29 1.01 0.70 -4.95 120.40 122.75 5azu s VAL 22 Ca -0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 5azu s VAL 22 Cb -0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 5azu s VAL 22 CO 0.03 0.49 1.17 -0.62 0.00 0.00 0.00 175.10 176.17 5azu s ASP 23 N 0.58 7.10 0.63 3.32 -1.08 -1.26 0.01 116.67 125.97 5azu s ASP 23 Ca -0.05 1.87 0.33 0.00 -0.52 0.00 0.00 52.55 54.18 5azu s ASP 23 Cb -0.15 -2.57 1.83 0.00 -1.46 0.00 0.00 42.92 40.58 5azu s ASP 23 CO 0.03 -0.50 2.10 0.50 0.52 0.00 0.00 175.17 177.82 5azu h LYS 24 N 7.12 0.00 0.00 4.34 3.64 -1.94 -1.09 116.57 128.64 5azu h LYS 24 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 5azu h LYS 24 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 5azu h LYS 24 CO 0.84 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.89 5azu n SER 25 N -3.31 0.47 -4.69 4.20 3.41 -1.26 -4.77 113.62 107.67 5azu n SER 25 Ca -0.00 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 5azu n SER 25 Cb 0.30 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 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 7.32 0.63 -4.96 0.00 3.64 -1.88 -3.42 116.57 117.90 5azu h LYS 27 Ca -0.36 -0.43 -0.33 0.00 -1.27 0.00 0.00 60.65 58.26 5azu h LYS 27 Cb 1.17 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 5azu h LYS 27 CO 0.86 1.05 -0.68 -0.65 -2.27 0.00 0.00 179.45 177.77 5azu s GLN 28 N -3.92 1.17 0.00 1.90 -0.21 -1.26 -1.80 119.66 115.54 5azu s GLN 28 Ca -0.08 -1.55 0.01 0.00 0.02 0.00 0.00 55.36 53.76 5azu s GLN 28 Cb 0.11 -0.48 -0.01 0.00 1.00 0.00 0.00 33.01 33.63 5azu s GLN 28 CO 0.86 -0.06 -0.04 0.12 -2.12 0.00 0.00 175.29 174.05 5azu s PHE 29 N -3.49 0.35 -0.04 0.91 5.36 -0.32 -4.80 117.98 115.95 5azu s PHE 29 Ca 0.23 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.13 5azu s PHE 29 Cb 0.05 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.49 5azu s PHE 29 CO 0.04 -0.02 -0.23 0.99 -1.46 0.00 0.00 175.22 174.54 5azu s THR 30 N -0.31 2.24 -0.11 0.12 2.01 -0.32 -1.12 115.64 118.15 5azu s THR 30 Ca -0.01 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.98 5azu s THR 30 Cb -0.03 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 5azu s THR 30 CO -0.00 0.58 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 5azu s VAL 31 N -0.41 3.12 -0.26 3.82 1.01 -0.12 -1.96 120.40 125.60 5azu s VAL 31 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.38 5azu s VAL 31 Cb -0.12 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.02 5azu s VAL 31 CO 0.01 0.54 -0.09 0.20 0.00 0.00 0.00 175.10 175.76 5azu s ASN 32 N 0.11 4.46 -0.15 3.32 0.01 -0.10 -1.50 114.94 121.08 5azu s ASN 32 Ca -0.06 -1.30 -0.06 0.00 -0.71 0.00 0.00 52.86 50.73 5azu s ASN 32 Cb -0.15 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 5azu s ASN 32 CO 0.04 -0.19 0.06 -0.22 -1.51 0.00 0.00 177.10 175.28 5azu s LEU 33 N 1.15 3.83 0.19 0.60 2.96 -0.04 -0.78 118.68 126.60 5azu s LEU 33 Ca -0.07 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 5azu s LEU 33 Cb -0.19 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 5azu s LEU 33 CO -0.05 0.25 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.22 5azu s SER 34 N -0.10 2.02 -0.36 3.68 1.04 -0.45 -1.25 113.70 118.28 5azu s SER 34 Ca 0.07 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.43 5azu s SER 34 Cb -0.12 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.06 5azu s SER 34 CO 0.01 -0.35 0.10 -2.28 0.98 0.00 0.00 173.24 171.69 5azu s HIS 35 N -3.26 3.70 -1.28 5.02 2.46 -0.88 -1.88 115.29 119.17 5azu s HIS 35 Ca 0.22 -2.88 0.25 0.00 0.47 0.00 0.00 55.06 53.12 5azu s HIS 35 Cb 0.03 -3.00 1.18 0.00 -0.13 0.00 0.00 32.58 30.66 5azu s HIS 35 CO 0.05 -0.95 1.81 -0.35 -2.47 0.00 0.00 174.74 172.83 5azu n PRO 36 N 4.28 0.23 -0.49 2.88 -0.04 -1.26 -1.61 135.00 138.99 5azu n PRO 36 Ca 0.03 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 5azu n PRO 36 Cb 0.41 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.89 -1.58 0.26 0.55 0.00 -1.26 -4.88 105.19 99.16 5azu n GLY 37 Ca 0.10 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.33 1.72 -4.81 1.61 4.13 -1.26 -4.09 115.26 109.23 5azu n ASN 38 Ca 0.05 -1.42 -0.38 0.00 1.68 0.00 0.00 54.58 54.50 5azu n ASN 38 Cb 0.17 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.32 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 -0.61 4.51 0.92 3.41 1.43 -1.26 -4.87 118.68 122.21 5azu s LEU 39 Ca 0.08 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 5azu s LEU 39 Cb 0.05 -2.97 0.14 0.00 0.03 0.00 0.00 46.19 43.44 5azu s LEU 39 CO 0.08 0.25 1.09 -2.16 0.23 0.00 0.00 176.35 175.83 5azu s PRO 40 N -1.22 1.08 0.33 1.29 0.04 -1.26 -2.21 135.00 133.05 5azu s PRO 40 Ca 0.31 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.26 5azu s PRO 40 Cb -0.19 -1.79 0.69 0.00 0.04 0.00 0.00 34.50 33.26 5azu s PRO 40 CO 0.19 -2.37 1.87 -0.22 0.04 0.00 0.00 177.00 176.51 5azu h LYS 41 N -1.65 0.81 0.00 4.56 3.64 -1.85 0.20 116.57 122.28 5azu h LYS 41 Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 5azu h LYS 41 Cb 1.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 5azu h LYS 41 CO 0.53 0.54 0.00 -2.95 -2.27 0.00 0.00 179.45 175.30 5azu h ASN 42 N 0.83 0.00 0.00 4.20 -1.07 -1.95 -0.78 115.58 116.81 5azu h ASN 42 Ca 0.45 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.50 5azu h ASN 42 Cb 0.56 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.75 5azu h ASN 42 CO -0.21 0.00 -2.19 0.52 0.07 0.00 0.00 177.43 175.61 5azu n VAL 43 N -2.92 1.20 -2.82 6.14 0.31 -0.50 -4.76 118.33 114.98 5azu n VAL 43 Ca 0.02 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.86 5azu n VAL 43 Cb 0.37 -1.17 0.06 0.00 -0.91 0.00 0.00 33.84 32.19 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 -3.06 1.68 -2.13 5.55 0.00 0.59 -5.02 117.12 114.73 5azu n MET 44 Ca -0.36 -3.30 -0.38 0.00 -0.00 0.00 0.00 57.70 53.65 5azu n MET 44 Cb 0.91 -1.42 -0.00 0.00 0.00 0.00 0.00 33.22 32.71 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 -3.55 2.85 0.06 -5.12 0.00 -0.30 -4.75 107.32 96.50 5azu s GLY 45 Ca 0.25 1.08 0.05 0.00 0.00 0.00 0.00 44.72 46.11 5azu s GLY 45 CO -0.04 1.59 -0.14 0.30 0.00 0.00 0.00 173.10 174.81 5azu s HIS 46 N -1.41 1.17 0.25 1.90 3.76 -0.51 -4.70 115.29 115.76 5azu s HIS 46 Ca 0.62 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 5azu s HIS 46 Cb -0.33 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 32.63 5azu s HIS 46 CO 0.41 0.04 0.10 0.54 -0.85 0.00 0.00 174.74 174.98 5azu s ASN 47 N -1.51 1.07 -0.13 1.40 2.20 -1.26 -0.55 114.94 116.16 5azu s ASN 47 Ca -0.01 -1.39 0.01 0.00 -0.94 0.00 0.00 52.86 50.53 5azu s ASN 47 Cb -0.09 0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.37 5azu s ASN 47 CO 0.02 -0.75 -0.14 0.86 -2.94 0.00 0.00 177.10 174.15 5azu s TRP 48 N -3.80 2.00 -0.01 1.54 -0.00 -1.26 -4.09 118.94 113.31 5azu s TRP 48 Ca 0.38 -1.04 0.05 0.00 -0.00 0.00 0.00 56.10 55.49 5azu s TRP 48 Cb 0.08 -1.48 -0.01 0.00 -0.00 0.00 0.00 33.47 32.06 5azu s TRP 48 CO 0.14 -0.57 -0.17 0.08 -0.00 0.00 0.00 176.95 176.43 5azu s VAL 49 N 1.30 1.33 -0.07 5.86 1.01 -0.39 -1.03 120.40 128.41 5azu s VAL 49 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.31 5azu s VAL 49 Cb -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 5azu s VAL 49 CO -0.07 0.38 -0.22 -0.22 0.00 0.00 0.00 175.10 174.97 5azu s LEU 50 N -0.37 2.23 0.33 3.92 2.96 -0.08 -1.69 118.68 125.98 5azu s LEU 50 Ca 0.06 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 5azu s LEU 50 Cb -0.07 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.20 5azu s LEU 50 CO -0.01 0.23 0.51 -0.94 -1.32 0.00 0.00 176.35 174.83 5azu s SER 51 N -0.08 0.65 0.69 3.68 1.04 -0.69 -0.89 113.70 118.10 5azu s SER 51 Ca -0.05 -1.36 -0.13 0.00 0.48 0.00 0.00 55.95 54.88 5azu s SER 51 Cb -0.14 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.66 5azu s SER 51 CO 0.04 -1.33 1.09 0.42 0.98 0.00 0.00 173.24 174.45 5azu s THR 52 N -3.09 3.42 0.35 2.02 -4.23 -1.26 -1.02 115.64 111.82 5azu s THR 52 Ca 0.27 0.58 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 5azu s THR 52 Cb -0.01 -3.12 0.19 0.00 1.34 0.00 0.00 72.50 70.90 5azu s THR 52 CO 0.17 -0.48 1.92 0.00 -0.54 0.00 0.00 174.62 175.69 5azu h ALA 53 N -0.31 1.43 -0.05 3.99 0.00 -1.33 -1.06 119.26 121.94 5azu h ALA 53 Ca -0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 5azu h ALA 53 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 5azu h ALA 53 CO 0.54 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 180.06 5azu h ALA 54 N 1.54 1.67 0.00 0.00 0.00 -1.92 -3.11 119.26 117.43 5azu h ALA 54 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 5azu h ALA 54 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 5azu h ALA 54 CO -0.01 0.25 -0.76 -0.25 0.00 0.00 0.00 179.25 178.48 5azu n ASP 55 N -4.33 0.62 -0.09 0.00 8.00 -0.45 -4.51 116.55 115.80 5azu n ASP 55 Ca -0.02 -0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.19 5azu n ASP 55 Cb 0.24 0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 -0.16 -0.77 -1.24 1.85 -1.36 -2.25 114.93 111.01 5azu h MET 56 Ca 0.00 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.11 5azu h MET 56 Cb 0.64 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.66 5azu h MET 56 CO 0.00 -0.11 0.50 0.37 -0.40 0.00 0.00 176.91 177.28 5azu h GLN 57 N -0.17 0.99 -0.37 0.39 5.75 -1.80 -0.44 115.11 119.48 5azu h GLN 57 Ca 0.17 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 5azu h GLN 57 Cb 0.43 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 5azu h GLN 57 CO -0.43 0.66 -0.19 0.78 -2.65 0.00 0.00 178.83 177.00 5azu h GLY 58 N 1.02 0.75 0.91 2.39 0.00 -1.78 -0.34 103.07 106.02 5azu h GLY 58 Ca 0.28 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 5azu h GLY 58 CO -0.07 0.55 0.10 -2.08 0.00 0.00 0.00 176.54 175.04 5azu h VAL 59 N 0.61 1.19 -0.18 4.60 2.07 -0.90 -0.76 116.25 122.89 5azu h VAL 59 Ca 0.09 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 5azu h VAL 59 Cb 0.66 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 5azu h VAL 59 CO 0.05 0.20 0.10 0.58 0.02 0.00 0.00 177.57 178.52 5azu h VAL 60 N 0.31 1.09 0.03 2.57 2.07 -0.92 0.84 116.25 122.24 5azu h VAL 60 Ca 0.09 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 5azu h VAL 60 Cb 0.22 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 5azu h VAL 60 CO -0.01 0.09 -0.01 0.74 0.02 0.00 0.00 177.57 178.40 5azu h THR 61 N 0.20 0.99 0.00 2.57 2.02 -1.00 -1.72 112.91 115.97 5azu h THR 61 Ca 0.06 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 5azu h THR 61 Cb 0.05 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 5azu h THR 61 CO -0.01 0.01 -0.34 0.44 0.37 0.00 0.00 175.52 175.99 5azu h ASP 62 N -0.06 0.00 -0.45 4.18 3.32 -1.13 -2.71 116.42 119.57 5azu h ASP 62 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 5azu h ASP 62 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 5azu h ASP 62 CO 0.01 0.34 0.19 1.23 -1.72 0.00 0.00 179.24 179.29 5azu h GLY 63 N 1.50 0.72 0.99 2.75 0.00 -0.51 -2.05 103.07 106.46 5azu h GLY 63 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 5azu h GLY 63 CO 0.04 0.36 0.20 1.98 0.00 0.00 0.00 176.54 179.13 5azu h MET 64 N 0.58 0.42 -0.30 4.80 1.85 -1.01 -2.67 114.93 118.60 5azu h MET 64 Ca 0.15 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.20 5azu h MET 64 Cb 0.18 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 5azu h MET 64 CO -0.01 0.30 0.17 0.00 -0.40 0.00 0.00 176.91 176.97 5azu h ALA 65 N 1.09 1.74 -0.31 0.39 0.00 -1.36 -2.22 119.26 118.59 5azu h ALA 65 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 5azu h ALA 65 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 5azu h ALA 65 CO -0.02 0.23 -0.16 0.77 0.00 0.00 0.00 179.25 180.07 5azu h SER 66 N 0.42 0.53 -4.14 0.00 0.02 -1.03 -3.49 113.55 105.87 5azu h SER 66 Ca 0.11 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 5azu h SER 66 Cb -0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 5azu h SER 66 CO -0.02 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 5azu n GLY 67 N -0.53 -1.20 0.16 -3.77 0.00 -0.84 -4.34 105.19 94.68 5azu n GLY 67 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 5azu n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 5azu n LEU 68 N -1.33 -0.42 0.27 0.99 7.94 -1.26 -0.65 117.00 122.55 5azu n LEU 68 Ca 0.00 0.81 0.15 0.00 -1.11 0.00 0.00 56.01 55.86 5azu n LEU 68 Cb 0.00 -0.14 0.77 0.00 0.53 0.00 0.00 43.42 44.58 5azu n LEU 68 CO 0.00 -0.62 1.00 -2.24 -1.11 0.00 0.00 177.39 174.41 5azu h ASP 69 N 0.00 0.00 -0.56 1.96 2.03 -2.01 -1.71 116.42 116.12 5azu h ASP 69 Ca 0.06 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.25 5azu h ASP 69 Cb 0.16 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.60 5azu h ASP 69 CO -0.37 0.09 0.12 0.29 -1.03 0.00 0.00 179.24 178.33 5azu n LYS 70 N -3.41 3.72 -2.27 4.15 5.02 0.18 -4.91 118.16 120.63 5azu n LYS 70 Ca -0.01 -3.07 -0.16 0.00 -2.02 0.00 0.00 58.31 53.05 5azu n LYS 70 Cb 0.24 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 5azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 5azu n ASP 71 N -0.11 -4.61 -3.76 4.39 9.92 -0.64 -1.85 116.55 119.89 5azu n ASP 71 Ca 0.33 0.16 -0.25 0.00 -0.53 0.00 0.00 54.79 54.50 5azu n ASP 71 Cb 1.21 -3.92 0.04 0.00 -0.64 0.00 0.00 41.12 37.80 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 -3.38 -2.15 -3.83 1.24 4.01 0.02 -4.79 117.16 108.27 5azu n TYR 72 Ca -0.18 0.88 -0.13 0.00 -0.16 0.00 0.00 57.90 58.31 5azu n TYR 72 Cb 0.62 -4.32 -0.15 0.00 -0.31 0.00 0.00 39.34 35.19 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 -6.94 1.66 0.09 7.72 1.43 -0.77 -4.32 118.68 117.55 5azu s LEU 73 Ca 0.30 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 53.12 5azu s LEU 73 Cb -0.15 0.01 -0.08 0.00 0.03 0.00 0.00 46.19 46.00 5azu s LEU 73 CO 0.81 -0.05 1.59 -0.75 0.23 0.00 0.00 176.35 178.19 5azu s LYS 74 N 0.36 4.22 0.15 1.70 2.20 -1.26 -4.83 119.74 122.28 5azu s LYS 74 Ca -0.03 2.29 -0.34 0.00 -0.36 0.00 0.00 55.97 57.52 5azu s LYS 74 Cb -0.04 -3.47 -0.14 0.00 -1.51 0.00 0.00 37.83 32.66 5azu s LYS 74 CO -0.01 -0.67 1.51 -2.30 -0.36 0.00 0.00 175.35 173.51 5azu n PRO 75 N 5.10 1.90 -3.76 4.03 -0.02 -1.26 -2.61 135.00 138.38 5azu n PRO 75 Ca 0.15 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 62.05 5azu n PRO 75 Cb 0.40 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.10 -4.52 -4.66 2.55 8.00 -1.26 -4.90 116.55 114.85 5azu n ASP 76 Ca 0.17 -0.71 -0.43 0.00 0.71 0.00 0.00 54.79 54.54 5azu n ASP 76 Cb 0.27 -4.33 -0.02 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.55 6.86 0.29 -2.24 -1.08 -1.07 -4.88 116.67 111.00 5azu s ASP 77 Ca 0.50 1.87 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 5azu s ASP 77 Cb -0.24 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.62 5azu s ASP 77 CO 0.79 -0.81 1.76 0.77 0.52 0.00 0.00 175.17 178.20 5azu h SER 78 N 8.59 0.00 1.19 -0.34 4.64 -1.92 -2.82 113.55 122.89 5azu h SER 78 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 5azu h SER 78 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 5azu h SER 78 CO 0.96 0.00 -0.06 0.54 -0.87 0.00 0.00 176.83 177.40 5azu n ARG 79 N -2.40 0.14 -3.01 4.77 1.74 -1.26 -4.75 116.66 111.89 5azu n ARG 79 Ca 0.03 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 5azu n ARG 79 Cb 0.32 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 5azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 5azu s VAL 80 N -3.06 4.79 0.09 1.55 1.01 -1.07 -4.45 120.40 119.27 5azu s VAL 80 Ca 0.12 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 5azu s VAL 80 Cb 0.15 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 5azu s VAL 80 CO 0.58 -0.37 1.29 0.40 0.00 0.00 0.00 175.10 177.00 5azu h ILE 81 N 5.71 1.29 -2.25 2.22 2.04 -1.31 -3.47 117.51 121.73 5azu h ILE 81 Ca -0.25 -1.93 0.02 0.00 1.00 0.00 0.00 64.86 63.69 5azu h ILE 81 Cb 1.10 2.01 -0.17 0.00 -0.74 0.00 0.00 36.82 39.02 5azu h ILE 81 CO 0.88 0.61 0.33 0.00 0.00 0.00 0.00 178.15 179.98 5azu s ALA 82 N -3.75 -1.77 0.09 1.87 0.00 -1.24 -5.01 121.76 111.95 5azu s ALA 82 Ca -0.11 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.70 5azu s ALA 82 Cb 0.08 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.46 5azu s ALA 82 CO 0.89 -0.54 0.55 -3.38 0.00 0.00 0.00 175.76 173.28 5azu s HIS 83 N -2.32 -0.46 0.66 0.00 -3.43 -1.26 -0.90 115.29 107.57 5azu s HIS 83 Ca -0.02 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 5azu s HIS 83 Cb -0.01 0.42 0.13 0.00 -1.43 0.00 0.00 32.58 31.69 5azu s HIS 83 CO -0.02 -0.72 0.90 0.25 -2.00 0.00 0.00 174.74 173.15 5azu n THR 84 N 0.09 0.00 -1.71 -5.38 -2.24 -0.19 -4.83 114.28 100.02 5azu n THR 84 Ca -0.18 -1.45 -0.29 0.00 -2.27 0.00 0.00 64.05 59.86 5azu n THR 84 Cb 0.62 -0.92 0.10 0.00 -2.10 0.00 0.00 70.33 68.04 5azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 5azu s LYS 85 N -4.85 1.79 -0.13 -0.78 1.02 -1.26 -4.70 119.74 110.84 5azu s LYS 85 Ca 0.60 0.30 -0.22 0.00 0.02 0.00 0.00 55.97 56.67 5azu s LYS 85 Cb -0.03 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 5azu s LYS 85 CO 0.40 -1.75 0.67 -1.17 -0.92 0.00 0.00 175.35 172.58 5azu s LEU 86 N -5.75 4.24 0.23 3.17 2.96 -1.26 -4.42 118.68 117.86 5azu s LEU 86 Ca 0.62 1.03 0.11 0.00 -0.22 0.00 0.00 54.13 55.67 5azu s LEU 86 Cb -0.13 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 5azu s LEU 86 CO 0.52 -0.19 -0.19 0.27 -1.32 0.00 0.00 176.35 175.43 5azu s ILE 87 N 1.31 2.21 0.24 6.68 -4.36 0.29 -4.89 121.20 122.69 5azu s ILE 87 Ca 0.34 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 5azu s ILE 87 Cb -0.17 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.40 5azu s ILE 87 CO 0.14 -0.38 0.10 0.61 0.24 0.00 0.00 174.94 175.65 5azu n GLY 88 N -0.29 3.35 3.53 6.27 0.00 -1.26 -1.42 105.19 115.36 5azu n GLY 88 Ca -0.08 -2.25 -0.53 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.58 0.52 0.00 1.61 2.88 -0.94 -1.91 113.62 114.20 5azu n SER 89 Ca -0.05 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 5azu n SER 89 Cb 0.29 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 1.91 1.83 3.97 0.46 0.00 -0.63 -4.99 105.19 107.74 5azu n GLY 90 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.07 2.28 -0.02 1.61 2.02 -0.80 -4.89 118.70 118.83 5azu s GLU 91 Ca 0.00 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 5azu s GLU 91 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.87 5azu s GLU 91 CO 0.00 -0.99 0.27 0.21 0.02 0.00 0.00 175.26 174.78 5azu s LYS 92 N -4.95 0.61 -0.14 1.61 2.47 -1.26 -2.07 119.74 116.00 5azu s LYS 92 Ca 0.60 -0.19 -0.27 0.00 -1.56 0.00 0.00 55.97 54.55 5azu s LYS 92 Cb -0.09 0.27 0.07 0.00 -1.46 0.00 0.00 37.83 36.61 5azu s LYS 92 CO 0.41 -0.16 0.66 0.34 0.16 0.00 0.00 175.35 176.76 5azu s ASP 93 N -1.23 -0.65 0.20 1.43 2.15 -0.38 -5.01 116.67 113.18 5azu s ASP 93 Ca -0.13 0.97 0.11 0.00 0.43 0.00 0.00 52.55 53.94 5azu s ASP 93 Cb -0.05 0.91 -0.04 0.00 -0.30 0.00 0.00 42.92 43.43 5azu s ASP 93 CO 0.03 -0.43 -0.24 -0.44 -0.17 0.00 0.00 175.17 173.93 5azu s SER 94 N -0.50 3.43 -0.03 -0.34 0.01 -1.26 -0.86 113.70 114.15 5azu s SER 94 Ca -0.06 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.34 5azu s SER 94 Cb -0.02 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.96 5azu s SER 94 CO 0.06 0.11 -0.07 0.54 0.41 0.00 0.00 173.24 174.28 5azu s VAL 95 N -1.75 0.66 -0.09 3.43 0.11 -0.56 -4.91 120.40 117.29 5azu s VAL 95 Ca 0.21 -0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 5azu s VAL 95 Cb -0.08 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 5azu s VAL 95 CO 0.10 0.22 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.05 5azu s THR 96 N 0.33 2.89 0.10 5.04 2.01 -1.26 -0.95 115.64 123.80 5azu s THR 96 Ca -0.05 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.23 5azu s THR 96 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 5azu s THR 96 CO 0.00 0.56 -0.08 0.72 -0.69 0.00 0.00 174.62 175.13 5azu s PHE 97 N -0.10 0.94 0.00 4.92 -0.71 -0.28 -4.95 117.98 117.80 5azu s PHE 97 Ca -0.02 -0.78 -0.30 0.00 -1.04 0.00 0.00 56.93 54.78 5azu s PHE 97 Cb -0.14 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 5azu s PHE 97 CO 0.04 -0.08 1.07 -0.51 -1.34 0.00 0.00 175.22 174.40 5azu s ASP 98 N -2.72 7.24 0.44 1.98 1.01 -1.26 -1.18 116.67 122.19 5azu s ASP 98 Ca 0.08 1.77 0.31 0.00 0.71 0.00 0.00 52.55 55.41 5azu s ASP 98 Cb 0.01 -2.57 1.37 0.00 1.01 0.00 0.00 42.92 42.74 5azu s ASP 98 CO -0.02 -0.37 1.91 0.58 0.21 0.00 0.00 175.17 177.48 5azu h VAL 99 N 4.76 0.00 0.00 -1.27 2.07 -1.61 -2.62 116.25 117.58 5azu h VAL 99 Ca -0.40 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.84 5azu h VAL 99 Cb 1.21 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 5azu h VAL 99 CO 0.79 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.84 5azu n SER 100 N -2.71 0.18 -0.07 0.57 3.41 -1.26 -1.67 113.62 112.07 5azu n SER 100 Ca 0.00 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 5azu n SER 100 Cb 0.22 -0.59 0.85 0.00 -0.26 0.00 0.00 64.21 64.44 5azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5azu n LYS 101 N -1.70 1.10 -5.17 4.33 5.02 -0.99 -4.77 118.16 115.98 5azu n LYS 101 Ca 0.03 -0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 5azu n LYS 101 Cb 0.17 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.96 2.23 0.17 -0.35 1.43 -0.67 -5.11 118.68 114.41 5azu s LEU 102 Ca 0.45 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 5azu s LEU 102 Cb 0.21 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.94 5azu s LEU 102 CO 0.35 0.25 0.49 -0.54 0.23 0.00 0.00 176.35 177.14 5azu s LYS 103 N -0.19 3.80 0.31 1.70 1.02 -1.26 -5.05 119.74 120.08 5azu s LYS 103 Ca -0.02 0.24 -0.28 0.00 0.02 0.00 0.00 55.97 55.94 5azu s LYS 103 Cb -0.14 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 5azu s LYS 103 CO 0.03 0.42 1.04 -1.83 -0.92 0.00 0.00 175.35 174.10 5azu s GLU 104 N -2.44 4.53 -0.66 1.68 -1.05 -1.26 -3.67 118.70 115.83 5azu s GLU 104 Ca 0.42 1.61 -0.03 0.00 -0.15 0.00 0.00 54.97 56.82 5azu s GLU 104 Cb -0.13 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 5azu s GLU 104 CO 0.21 0.16 0.38 0.41 0.95 0.00 0.00 175.26 177.37 5azu n GLY 105 N 0.92 0.20 3.06 -3.83 0.00 -1.26 -5.03 105.19 99.25 5azu n GLY 105 Ca 0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.28 0.88 -0.15 1.61 2.12 -1.24 -5.14 118.70 111.51 5azu s GLU 106 Ca 0.19 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.91 5azu s GLU 106 Cb -0.08 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 5azu s GLU 106 CO 0.24 0.23 0.47 -0.65 -0.54 0.00 0.00 175.26 175.00 5azu s GLN 107 N -0.37 4.28 0.17 4.30 -1.52 -1.26 -4.87 119.66 120.39 5azu s GLN 107 Ca 0.04 0.39 0.11 0.00 -1.95 0.00 0.00 55.36 53.95 5azu s GLN 107 Cb -0.05 -3.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 5azu s GLN 107 CO -0.00 0.06 -0.24 0.71 -0.25 0.00 0.00 175.29 175.57 5azu s TYR 108 N 0.95 2.33 0.01 0.91 2.02 -1.21 -0.94 117.35 121.41 5azu s TYR 108 Ca 0.24 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.64 5azu s TYR 108 Cb -0.15 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 5azu s TYR 108 CO 0.09 0.46 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.72 5azu s MET 109 N -2.51 1.29 0.09 -0.62 -1.94 -0.19 -1.36 119.30 114.06 5azu s MET 109 Ca 0.19 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.56 5azu s MET 109 Cb -0.09 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 5azu s MET 109 CO 0.09 0.34 -0.20 -0.59 -0.01 0.00 0.00 175.02 174.65 5azu s PHE 110 N -0.55 2.48 0.18 -0.03 -0.12 -0.29 -1.69 117.98 117.96 5azu s PHE 110 Ca 0.06 -0.30 -0.24 0.00 -0.05 0.00 0.00 56.93 56.40 5azu s PHE 110 Cb -0.07 -1.37 0.05 0.00 -0.63 0.00 0.00 43.02 41.00 5azu s PHE 110 CO 0.00 0.31 0.85 -0.59 -0.05 0.00 0.00 175.22 175.74 5azu s PHE 111 N -1.02 -0.20 -0.12 3.49 -0.71 -0.69 -1.05 117.98 117.67 5azu s PHE 111 Ca 0.16 -0.13 -0.03 0.00 -1.04 0.00 0.00 56.93 55.89 5azu s PHE 111 Cb -0.10 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 5azu s PHE 111 CO 0.07 -0.93 -0.01 0.00 -1.34 0.00 0.00 175.22 173.01 5azu n THR 113 N 2.86 0.54 -1.73 0.00 -2.24 -1.26 -3.16 114.28 109.28 5azu n THR 113 Ca -0.18 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 5azu n THR 113 Cb 0.53 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.28 2.66 -1.62 4.78 -0.00 -1.26 -4.59 117.46 118.71 5azu n PHE 114 Ca 0.19 0.41 -0.61 0.00 -0.00 0.00 0.00 57.45 57.45 5azu n PHE 114 Cb 0.55 -2.51 -0.09 0.00 -0.00 0.00 0.00 39.48 37.42 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 1.21 0.55 0.00 -7.13 -0.02 -1.26 -1.08 135.00 127.27 5azu n PRO 115 Ca 0.06 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 5azu n PRO 115 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 4.97 2.52 0.16 -1.23 0.00 -1.26 -4.90 105.19 105.45 5azu n GLY 116 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 0.13 0.00 1.61 3.86 -1.36 -3.25 115.15 116.14 5azu h HIS 117 Ca 0.00 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 5azu h HIS 117 Cb 0.00 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 5azu h HIS 117 CO 0.00 0.65 -0.02 0.66 0.86 0.00 0.00 177.93 180.07 5azu h SER 118 N 0.08 0.00 -0.51 2.45 4.64 -1.74 0.13 113.55 118.60 5azu h SER 118 Ca -0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 5azu h SER 118 Cb 1.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 5azu h SER 118 CO 0.08 0.02 0.34 0.00 -0.87 0.00 0.00 176.83 176.40 5azu h ALA 119 N 1.98 1.99 0.00 5.18 0.00 -1.91 -3.27 119.26 123.23 5azu h ALA 119 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 5azu h ALA 119 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 5azu h ALA 119 CO 0.00 -0.09 -1.37 1.28 0.00 0.00 0.00 179.25 179.07 5azu n LEU 120 N -4.47 0.33 -4.40 0.00 4.77 -0.47 -4.87 117.00 107.89 5azu n LEU 120 Ca 0.07 -0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.60 5azu n LEU 120 Cb 0.31 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 5azu n LEU 120 CO 0.34 0.18 0.93 -0.04 -1.33 0.00 0.00 177.39 177.48 5azu s MET 121 N -2.13 3.88 0.09 3.23 -1.94 0.34 -4.75 119.30 118.02 5azu s MET 121 Ca -0.03 -2.48 -0.25 0.00 -1.71 0.00 0.00 55.69 51.22 5azu s MET 121 Cb 0.02 -4.77 0.08 0.00 2.01 0.00 0.00 34.83 32.16 5azu s MET 121 CO 0.21 -1.54 0.67 -1.59 -0.01 0.00 0.00 175.02 172.76 5azu s LYS 122 N 0.92 1.15 0.29 2.03 0.00 -1.26 -2.37 119.74 120.50 5azu s LYS 122 Ca 0.32 -0.33 -0.19 0.00 0.00 0.00 0.00 55.97 55.77 5azu s LYS 122 Cb -0.07 0.53 0.07 0.00 0.00 0.00 0.00 37.83 38.37 5azu s LYS 122 CO -0.06 -0.48 0.93 0.20 0.00 0.00 0.00 175.35 175.93 5azu s GLY 123 N -2.45 0.27 0.10 0.59 0.00 -0.22 -4.80 107.32 100.81 5azu s GLY 123 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.18 5azu s GLY 123 CO -0.09 1.27 0.11 -0.51 0.00 0.00 0.00 173.10 173.89 5azu s THR 124 N -2.13 4.65 -0.02 0.90 -4.23 -0.41 -1.14 115.64 113.27 5azu s THR 124 Ca 0.19 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.97 5azu s THR 124 Cb -0.04 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 5azu s THR 124 CO 0.08 0.07 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.85 5azu s LEU 125 N -2.57 2.00 0.02 4.79 0.20 -0.46 -1.33 118.68 121.33 5azu s LEU 125 Ca 0.30 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.80 5azu s LEU 125 Cb -0.12 -0.92 -0.02 0.00 -0.43 0.00 0.00 46.19 44.70 5azu s LEU 125 CO 0.23 0.20 -0.03 0.28 -0.29 0.00 0.00 176.35 176.74 5azu s THR 126 N -0.28 0.13 0.49 3.68 -1.32 -0.78 -3.33 115.64 114.23 5azu s THR 126 Ca 0.04 -0.89 -0.19 0.00 -1.21 0.00 0.00 61.69 59.44 5azu s THR 126 Cb -0.08 -0.27 -0.09 0.00 -1.51 0.00 0.00 72.50 70.56 5azu s THR 126 CO 0.00 -0.48 0.99 -0.76 -2.21 0.00 0.00 174.62 172.16 5azu s LEU 127 N -1.42 3.76 0.00 9.08 1.43 -1.26 -0.22 118.68 130.05 5azu s LEU 127 Ca -0.15 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 5azu s LEU 127 Cb -0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.59 5azu s LEU 127 CO -0.01 -0.62 0.00 1.17 0.23 0.00 0.00 176.35 177.12