#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ils n GLU 2 N 0.00 0.00 -0.89 0.00 -0.58 -1.26 -4.16 120.64 113.75 1ils n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ils n GLU 2 Cb 0.00 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.04 1ils n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ils s SER 4 N -3.28 -0.31 -0.04 0.00 1.04 -1.26 -1.19 113.70 108.67 1ils s SER 4 Ca 0.40 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 1ils s SER 4 Cb 0.38 0.49 0.01 0.00 0.10 0.00 0.00 66.02 67.00 1ils s SER 4 CO -0.05 -0.85 0.16 0.54 0.98 0.00 0.00 173.24 174.02 1ils s VAL 5 N -3.62 0.03 -0.18 5.02 0.11 0.87 -4.32 120.40 118.31 1ils s VAL 5 Ca 0.01 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1ils s VAL 5 Cb 0.01 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1ils s VAL 5 CO -0.11 -0.16 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.62 1ils s ASP 6 N -0.53 4.24 0.11 3.54 1.01 -1.26 -0.96 116.67 122.83 1ils s ASP 6 Ca -0.06 -0.35 0.07 0.00 0.71 0.00 0.00 52.55 52.92 1ils s ASP 6 Cb -0.04 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 1ils s ASP 6 CO 0.01 0.06 -0.16 -0.55 0.21 0.00 0.00 175.17 174.73 1ils s SER 7 N 1.01 2.17 0.02 0.27 0.15 0.33 -4.96 113.70 112.69 1ils s SER 7 Ca -0.00 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 55.87 1ils s SER 7 Cb -0.15 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1ils s SER 7 CO -0.00 -0.07 0.02 -1.10 1.20 0.00 0.00 173.24 173.29 1ils s GLN 8 N -2.34 0.40 -0.07 5.44 -0.21 -1.26 -2.27 119.66 119.35 1ils s GLN 8 Ca 0.07 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1ils s GLN 8 Cb -0.07 0.15 0.02 0.00 1.00 0.00 0.00 33.01 34.11 1ils s GLN 8 CO 0.04 -0.08 -0.05 0.20 -2.12 0.00 0.00 175.29 173.28 1ils s GLY 9 N -1.65 0.59 0.56 3.09 0.00 -1.19 -1.11 107.32 107.61 1ils s GLY 9 Ca -0.12 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.43 1ils s GLY 9 CO -0.02 0.72 0.56 1.16 0.00 0.00 0.00 173.10 175.53 1ils n ASN 10 N 4.60 2.48 0.06 1.64 0.23 -0.78 -3.65 115.26 119.84 1ils n ASN 10 Ca -0.16 -2.73 0.09 0.00 -0.53 0.00 0.00 54.58 51.25 1ils n ASN 10 Cb 0.50 -0.20 0.38 0.00 -2.08 0.00 0.00 39.78 38.39 1ils n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ils n ASP 11 N -2.04 0.31 -1.46 0.53 8.00 -1.24 -2.05 116.55 118.60 1ils n ASP 11 Ca 0.05 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.19 1ils n ASP 11 Cb 0.61 -0.64 0.29 0.00 -0.02 0.00 0.00 41.12 41.36 1ils n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ils n GLN 12 N -1.84 3.68 -3.26 -1.24 6.02 -1.26 -4.93 117.38 114.55 1ils n GLN 12 Ca 0.03 -2.25 -0.15 0.00 -0.01 0.00 0.00 57.00 54.61 1ils n GLN 12 Cb 0.18 -2.00 0.08 0.00 1.02 0.00 0.00 30.24 29.53 1ils n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1ils n MET 13 N 0.52 -5.70 -3.88 -1.09 0.00 -0.87 -5.01 117.12 101.08 1ils n MET 13 Ca 0.20 0.76 -0.10 0.00 -0.00 0.00 0.00 57.70 58.55 1ils n MET 13 Cb 0.89 -5.49 -0.09 0.00 0.00 0.00 0.00 33.22 28.53 1ils n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ils s GLN 14 N -5.16 0.59 0.09 2.12 -0.21 -1.26 -4.37 119.66 111.46 1ils s GLN 14 Ca 0.02 -0.61 -0.05 0.00 0.02 0.00 0.00 55.36 54.74 1ils s GLN 14 Cb -0.00 0.24 -0.05 0.00 1.00 0.00 0.00 33.01 34.20 1ils s GLN 14 CO 0.65 -0.16 0.32 -0.06 -2.12 0.00 0.00 175.29 173.93 1ils s PHE 15 N -2.24 3.52 -0.67 0.91 0.08 -1.26 -1.86 117.98 116.46 1ils s PHE 15 Ca -0.08 0.53 0.19 0.00 0.12 0.00 0.00 56.93 57.69 1ils s PHE 15 Cb -0.03 -1.98 0.81 0.00 -0.57 0.00 0.00 43.02 41.26 1ils s PHE 15 CO -0.03 0.51 1.58 0.27 -0.10 0.00 0.00 175.22 177.45 1ils n ASN 16 N 0.46 0.39 -3.78 1.36 6.94 -0.26 -4.74 115.26 115.62 1ils n ASN 16 Ca -0.06 0.61 -0.12 0.00 -0.02 0.00 0.00 54.58 54.99 1ils n ASN 16 Cb 0.52 -0.69 -0.08 0.00 -2.36 0.00 0.00 39.78 37.17 1ils n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ils s THR 17 N -3.21 0.07 -0.03 5.53 -1.32 -1.26 -5.00 115.64 110.42 1ils s THR 17 Ca 0.04 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.96 1ils s THR 17 Cb 0.08 -0.71 0.06 0.00 -1.51 0.00 0.00 72.50 70.43 1ils s THR 17 CO 0.31 -0.33 0.98 0.59 -2.21 0.00 0.00 174.62 173.95 1ils n ASN 18 N 1.05 1.79 -3.66 8.08 4.13 -1.26 -4.83 115.26 120.55 1ils n ASN 18 Ca -0.21 -2.11 -0.08 0.00 1.68 0.00 0.00 54.58 53.86 1ils n ASN 18 Cb 0.57 -0.09 -0.09 0.00 -1.54 0.00 0.00 39.78 38.62 1ils n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ils s ALA 19 N -1.24 -1.24 0.00 5.41 0.00 -1.26 -0.60 121.76 122.84 1ils s ALA 19 Ca 0.07 1.63 0.06 0.00 0.00 0.00 0.00 51.96 53.71 1ils s ALA 19 Cb 0.06 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1ils s ALA 19 CO 0.01 -0.64 -0.19 0.42 0.00 0.00 0.00 175.76 175.36 1ils s ILE 20 N 2.30 1.50 -0.13 0.00 1.01 0.13 -4.92 121.20 121.10 1ils s ILE 20 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1ils s ILE 20 Cb -0.11 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1ils s ILE 20 CO -0.14 0.34 -0.19 -0.89 0.00 0.00 0.00 174.94 174.06 1ils s THR 21 N -0.56 1.81 -0.22 2.92 2.01 -1.26 -1.98 115.64 118.36 1ils s THR 21 Ca 0.07 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1ils s THR 21 Cb -0.08 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1ils s THR 21 CO 0.00 0.50 0.11 -0.69 -0.69 0.00 0.00 174.62 173.85 1ils s VAL 22 N 0.93 4.98 0.00 3.82 1.01 -0.37 -4.24 120.40 126.53 1ils s VAL 22 Ca -0.06 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1ils s VAL 22 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1ils s VAL 22 CO -0.02 0.39 1.02 -0.62 0.00 0.00 0.00 175.10 175.86 1ils s ASP 23 N 0.88 7.31 0.51 3.32 2.15 -1.25 -0.71 116.67 128.87 1ils s ASP 23 Ca 0.06 1.70 0.30 0.00 0.43 0.00 0.00 52.55 55.04 1ils s ASP 23 Cb -0.13 -2.57 1.65 0.00 -0.30 0.00 0.00 42.92 41.57 1ils s ASP 23 CO 0.03 -0.31 1.92 0.11 -0.17 0.00 0.00 175.17 176.75 1ils h LYS 24 N 6.83 0.00 -0.00 4.34 1.57 -1.77 -1.81 116.57 125.74 1ils h LYS 24 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1ils h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ils h LYS 24 CO 0.77 0.00 -0.02 -1.13 -0.57 0.00 0.00 179.45 178.50 1ils n SER 25 N -2.64 0.05 -4.74 0.86 3.41 -1.26 -4.79 113.62 104.51 1ils n SER 25 Ca -0.02 -0.08 -0.41 0.00 -0.26 0.00 0.00 58.87 58.10 1ils n SER 25 Cb 0.14 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1ils n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ils h LYS 27 N 4.67 0.24 -5.69 0.00 1.57 -1.88 -3.43 116.57 112.04 1ils h LYS 27 Ca -0.45 -0.41 -0.48 0.00 -1.87 0.00 0.00 60.65 57.44 1ils h LYS 27 Cb 1.21 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.53 1ils h LYS 27 CO 0.70 1.20 -0.74 -0.65 -0.57 0.00 0.00 179.45 179.39 1ils s GLN 28 N -2.50 1.39 0.00 3.15 -0.21 -1.26 -1.64 119.66 118.59 1ils s GLN 28 Ca -0.21 -1.61 0.03 0.00 0.02 0.00 0.00 55.36 53.58 1ils s GLN 28 Cb 0.05 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.81 1ils s GLN 28 CO 0.76 0.21 -0.09 0.12 -2.12 0.00 0.00 175.29 174.17 1ils s PHE 29 N -2.85 0.83 -0.12 0.91 5.36 0.79 -4.83 117.98 118.07 1ils s PHE 29 Ca 0.23 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1ils s PHE 29 Cb -0.02 -0.52 0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1ils s PHE 29 CO 0.08 -0.01 -0.19 0.99 -1.46 0.00 0.00 175.22 174.63 1ils s THR 30 N -0.36 1.82 -0.22 0.12 2.01 -0.33 -1.51 115.64 117.17 1ils s THR 30 Ca 0.02 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1ils s THR 30 Cb -0.04 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1ils s THR 30 CO -0.00 0.50 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1ils s VAL 31 N 0.81 4.07 -0.23 3.82 1.01 -0.05 -0.09 120.40 129.74 1ils s VAL 31 Ca -0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ils s VAL 31 Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ils s VAL 31 CO -0.00 0.40 0.04 0.20 0.00 0.00 0.00 175.10 175.74 1ils s ASN 32 N 1.22 5.02 -0.12 3.32 0.01 -0.13 -1.10 114.94 123.16 1ils s ASN 32 Ca 0.04 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1ils s ASN 32 Cb -0.15 -1.89 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 1ils s ASN 32 CO 0.02 0.00 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.27 1ils s LEU 33 N 1.37 2.75 0.22 0.60 2.96 0.41 -0.51 118.68 126.48 1ils s LEU 33 Ca 0.05 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1ils s LEU 33 Cb -0.15 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1ils s LEU 33 CO 0.02 0.19 -0.20 -0.94 -1.32 0.00 0.00 176.35 174.10 1ils s SER 34 N 0.22 3.22 -0.47 3.68 1.04 -0.96 -0.92 113.70 119.51 1ils s SER 34 Ca -0.08 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.43 1ils s SER 34 Cb -0.15 -0.24 0.13 0.00 0.10 0.00 0.00 66.02 65.86 1ils s SER 34 CO 0.05 0.01 0.23 -2.28 0.98 0.00 0.00 173.24 172.23 1ils s HIS 35 N -2.27 2.93 0.59 5.02 2.46 -1.01 -3.14 115.29 119.87 1ils s HIS 35 Ca 0.24 -2.94 -0.20 0.00 0.47 0.00 0.00 55.06 52.63 1ils s HIS 35 Cb -0.05 -2.59 -0.03 0.00 -0.13 0.00 0.00 32.58 29.78 1ils s HIS 35 CO 0.11 -0.78 1.27 -0.35 -2.47 0.00 0.00 174.74 172.52 1ils n PRO 36 N 3.39 1.34 -0.08 2.88 -0.04 -1.24 -1.60 135.00 139.65 1ils n PRO 36 Ca 0.05 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1ils n PRO 36 Cb 0.34 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1ils n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ils n GLY 37 N 0.91 0.91 0.00 0.55 0.00 -1.26 -3.67 105.19 102.63 1ils n GLY 37 Ca 0.13 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1ils n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ils n ASN 38 N 0.00 0.00 -4.77 1.61 3.02 -1.26 -4.73 115.26 109.13 1ils n ASN 38 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1ils n ASN 38 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ils n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ils s LEU 39 N -1.15 3.88 0.65 3.41 1.43 -1.26 -4.81 118.68 120.84 1ils s LEU 39 Ca 0.00 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 1ils s LEU 39 Cb 0.00 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1ils s LEU 39 CO 0.00 -1.08 1.04 -2.16 0.23 0.00 0.00 176.35 174.38 1ils s PRO 40 N -2.98 3.31 0.31 1.29 0.04 -1.26 -1.91 135.00 133.81 1ils s PRO 40 Ca 0.68 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1ils s PRO 40 Cb -0.27 -2.04 0.78 0.00 0.04 0.00 0.00 34.50 33.01 1ils s PRO 40 CO 0.31 -0.80 1.78 -0.22 0.04 0.00 0.00 177.00 178.11 1ils h LYS 41 N -0.46 0.70 0.00 4.56 3.64 -1.85 0.16 116.57 123.33 1ils h LYS 41 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ils h LYS 41 Cb 1.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1ils h LYS 41 CO 0.60 0.46 0.00 -2.95 -2.27 0.00 0.00 179.45 175.29 1ils h ASN 42 N 0.72 0.00 0.00 4.20 7.08 -1.95 -0.21 115.58 125.42 1ils h ASN 42 Ca 0.58 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 53.53 1ils h ASN 42 Cb 0.96 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.15 1ils h ASN 42 CO -0.38 0.00 -2.03 0.52 -2.08 0.00 0.00 177.43 173.46 1ils n VAL 43 N -2.75 1.03 -2.72 6.14 0.31 -0.28 -4.84 118.33 115.22 1ils n VAL 43 Ca 0.01 -0.49 -0.04 0.00 -0.01 0.00 0.00 64.34 63.82 1ils n VAL 43 Cb 0.29 -0.94 0.08 0.00 -0.91 0.00 0.00 33.84 32.36 1ils n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ils n MET 44 N -2.84 1.38 -2.16 5.55 1.56 -0.11 -5.04 117.12 115.46 1ils n MET 44 Ca -0.29 -2.43 -0.32 0.00 -0.27 0.00 0.00 57.70 54.39 1ils n MET 44 Cb 0.90 -0.61 -0.01 0.00 2.15 0.00 0.00 33.22 35.64 1ils n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ils s GLY 45 N -2.33 1.91 0.04 -5.12 0.00 -0.09 -4.73 107.32 97.00 1ils s GLY 45 Ca 0.21 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.04 1ils s GLY 45 CO -0.06 0.36 -0.08 0.30 0.00 0.00 0.00 173.10 173.63 1ils s HIS 46 N -2.83 0.68 0.11 1.90 3.76 0.03 -4.69 115.29 114.25 1ils s HIS 46 Ca 0.58 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1ils s HIS 46 Cb -0.11 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 1ils s HIS 46 CO 0.41 -0.07 -0.08 0.54 -0.85 0.00 0.00 174.74 174.69 1ils s ASN 47 N -1.45 1.31 -0.23 1.40 2.20 -1.26 -0.86 114.94 116.05 1ils s ASN 47 Ca -0.08 -0.96 -0.06 0.00 -0.94 0.00 0.00 52.86 50.82 1ils s ASN 47 Cb -0.09 0.06 -0.02 0.00 -2.00 0.00 0.00 41.25 39.20 1ils s ASN 47 CO 0.00 -0.40 0.02 0.86 -2.94 0.00 0.00 177.10 174.64 1ils s TRP 48 N -3.31 3.03 -0.06 1.54 -0.00 -1.26 -4.26 118.94 114.62 1ils s TRP 48 Ca 0.11 -0.62 0.03 0.00 -0.00 0.00 0.00 56.10 55.62 1ils s TRP 48 Cb 0.03 -2.16 0.01 0.00 -0.00 0.00 0.00 33.47 31.34 1ils s TRP 48 CO -0.03 -0.41 -0.14 0.08 -0.00 0.00 0.00 176.95 176.45 1ils s VAL 49 N 1.46 1.26 -0.11 5.86 1.01 -0.77 -1.63 120.40 127.48 1ils s VAL 49 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ils s VAL 49 Cb -0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1ils s VAL 49 CO 0.01 0.38 -0.06 -0.22 0.00 0.00 0.00 175.10 175.20 1ils s LEU 50 N 0.46 3.16 0.37 3.92 2.96 -0.42 -1.62 118.68 127.51 1ils s LEU 50 Ca -0.12 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1ils s LEU 50 Cb -0.15 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1ils s LEU 50 CO 0.04 0.26 0.62 -0.94 -1.32 0.00 0.00 176.35 175.00 1ils s SER 51 N -0.20 0.60 0.63 3.68 1.04 -0.85 -0.98 113.70 117.61 1ils s SER 51 Ca 0.03 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 54.94 1ils s SER 51 Cb -0.13 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1ils s SER 51 CO 0.03 -1.49 1.05 0.42 0.98 0.00 0.00 173.24 174.23 1ils s THR 52 N -2.64 4.02 0.49 2.02 -4.23 -1.26 -1.33 115.64 112.71 1ils s THR 52 Ca 0.24 0.82 0.15 0.00 -1.18 0.00 0.00 61.69 61.72 1ils s THR 52 Cb -0.03 -3.45 0.24 0.00 1.34 0.00 0.00 72.50 70.60 1ils s THR 52 CO 0.17 -0.70 2.09 0.00 -0.54 0.00 0.00 174.62 175.64 1ils h ALA 53 N -0.02 1.87 0.00 3.99 0.00 -1.02 -0.05 119.26 124.04 1ils h ALA 53 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ils h ALA 53 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ils h ALA 53 CO 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.92 1ils h ALA 54 N 1.92 1.00 0.00 0.00 0.00 -1.92 -3.23 119.26 117.02 1ils h ALA 54 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ils h ALA 54 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ils h ALA 54 CO 0.01 0.01 -1.01 -0.25 0.00 0.00 0.00 179.25 178.01 1ils n ASP 55 N -3.10 0.85 -0.14 0.00 8.00 -0.05 -4.57 116.55 117.53 1ils n ASP 55 Ca 0.01 -0.80 -0.04 0.00 0.71 0.00 0.00 54.79 54.67 1ils n ASP 55 Cb 0.35 0.96 0.02 0.00 -0.02 0.00 0.00 41.12 42.44 1ils n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ils h MET 56 N 0.00 -0.05 -0.65 -1.24 4.05 -1.52 -2.16 114.93 113.35 1ils h MET 56 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 1ils h MET 56 Cb 0.55 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 1ils h MET 56 CO 0.00 -0.04 0.28 0.37 0.23 0.00 0.00 176.91 177.76 1ils h GLN 57 N -0.06 0.48 -0.26 0.39 5.75 -1.82 -0.83 115.11 118.77 1ils h GLN 57 Ca 0.22 -0.03 -0.19 0.00 -0.15 0.00 0.00 58.65 58.50 1ils h GLN 57 Cb 0.40 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1ils h GLN 57 CO -0.51 0.32 -0.59 0.78 -2.65 0.00 0.00 178.83 176.18 1ils h GLY 58 N 0.49 0.93 0.59 2.39 0.00 -1.80 -0.64 103.07 105.03 1ils h GLY 58 Ca 0.33 -1.14 0.06 0.00 0.00 0.00 0.00 47.33 46.58 1ils h GLY 58 CO -0.29 1.02 0.22 -2.08 0.00 0.00 0.00 176.54 175.41 1ils h VAL 59 N 0.62 0.87 0.05 4.60 2.07 -0.99 -0.47 116.25 123.00 1ils h VAL 59 Ca -0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ils h VAL 59 Cb 1.20 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1ils h VAL 59 CO 0.13 0.08 -0.02 0.58 0.02 0.00 0.00 177.57 178.35 1ils h VAL 60 N 0.42 1.15 0.29 2.57 2.07 -1.09 -1.32 116.25 120.33 1ils h VAL 60 Ca 0.24 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1ils h VAL 60 Cb 0.22 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1ils h VAL 60 CO -0.22 0.17 -0.14 0.74 0.02 0.00 0.00 177.57 178.14 1ils h THR 61 N -0.36 0.72 0.00 2.57 2.02 -0.92 0.52 112.91 117.47 1ils h THR 61 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ils h THR 61 Cb 0.32 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1ils h THR 61 CO 0.01 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.30 1ils h ASP 62 N -0.40 0.00 0.54 4.18 3.32 -1.18 -2.17 116.42 120.72 1ils h ASP 62 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1ils h ASP 62 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1ils h ASP 62 CO 0.06 0.05 -0.26 1.23 -1.72 0.00 0.00 179.24 178.60 1ils h GLY 63 N 0.66 -0.76 0.37 2.75 0.00 0.04 -2.08 103.07 104.04 1ils h GLY 63 Ca -0.00 0.28 0.09 0.00 0.00 0.00 0.00 47.33 47.71 1ils h GLY 63 CO 0.01 -0.28 0.21 -0.33 0.00 0.00 0.00 176.54 176.15 1ils h MET 64 N -1.10 0.37 -0.92 4.80 2.86 -0.50 -1.13 114.93 119.31 1ils h MET 64 Ca -0.07 -0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.76 1ils h MET 64 Cb 0.62 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 1ils h MET 64 CO 0.12 0.24 0.61 0.00 1.06 0.00 0.00 176.91 178.94 1ils h ALA 65 N 1.42 2.25 0.00 6.32 0.00 -1.39 -2.67 119.26 125.19 1ils h ALA 65 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ils h ALA 65 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ils h ALA 65 CO -0.32 -0.54 -0.06 0.77 0.00 0.00 0.00 179.25 179.10 1ils h SER 66 N 0.38 0.00 -4.24 0.00 0.02 -0.46 -3.50 113.55 105.75 1ils h SER 66 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1ils h SER 66 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1ils h SER 66 CO -0.18 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.18 1ils n GLY 67 N 0.20 -1.11 0.33 -3.77 0.00 -1.01 -3.92 105.19 95.91 1ils n GLY 67 Ca 0.01 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 1ils n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ils h LEU 68 N 0.00 0.80 -2.28 0.99 5.85 -1.93 -1.27 115.31 117.47 1ils h LEU 68 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ils h LEU 68 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1ils h LEU 68 CO 0.00 0.66 0.00 0.44 -0.34 0.00 0.00 178.44 179.20 1ils h ASP 69 N 0.90 0.00 -0.54 1.25 3.32 -2.02 0.13 116.42 119.46 1ils h ASP 69 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ils h ASP 69 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ils h ASP 69 CO -0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.78 1ils n LYS 70 N -2.90 2.94 -2.98 3.56 4.76 -0.85 -4.95 118.16 117.73 1ils n LYS 70 Ca -0.02 -2.45 -0.21 0.00 -2.87 0.00 0.00 58.31 52.76 1ils n LYS 70 Cb 0.12 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1ils n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ils n ASP 71 N 0.99 -5.93 -3.90 4.39 8.00 0.46 -2.98 116.55 117.59 1ils n ASP 71 Ca 0.19 -0.27 -0.27 0.00 0.71 0.00 0.00 54.79 55.15 1ils n ASP 71 Cb 0.59 -4.75 0.01 0.00 -0.02 0.00 0.00 41.12 36.96 1ils n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ils n TYR 72 N -4.46 -1.97 -3.80 1.24 4.01 -0.54 -4.72 117.16 106.92 1ils n TYR 72 Ca -0.11 0.84 -0.13 0.00 -0.16 0.00 0.00 57.90 58.34 1ils n TYR 72 Cb 0.62 -3.93 -0.12 0.00 -0.31 0.00 0.00 39.34 35.59 1ils n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ils s LEU 73 N -7.02 1.21 0.18 7.72 1.43 -1.16 -4.39 118.68 116.64 1ils s LEU 73 Ca 0.32 0.39 -0.32 0.00 -1.03 0.00 0.00 54.13 53.50 1ils s LEU 73 Cb -0.16 0.65 -0.11 0.00 0.03 0.00 0.00 46.19 46.60 1ils s LEU 73 CO 0.85 -0.07 1.74 -0.75 0.23 0.00 0.00 176.35 178.35 1ils s LYS 74 N 0.19 4.14 -0.30 1.70 2.47 -1.26 -4.77 119.74 121.91 1ils s LYS 74 Ca -0.01 2.58 -0.40 0.00 -1.56 0.00 0.00 55.97 56.58 1ils s LYS 74 Cb -0.02 -3.25 -0.15 0.00 -1.46 0.00 0.00 37.83 32.94 1ils s LYS 74 CO -0.00 -0.77 1.79 -2.30 0.16 0.00 0.00 175.35 174.23 1ils n PRO 75 N 4.54 1.09 -3.81 4.03 -0.02 -1.26 -2.68 135.00 136.89 1ils n PRO 75 Ca 0.16 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.78 1ils n PRO 75 Cb 0.36 -2.10 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1ils n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ils n ASP 76 N 5.80 -2.48 -4.73 2.55 8.00 -1.26 -4.93 116.55 119.50 1ils n ASP 76 Ca 0.29 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 1ils n ASP 76 Cb 0.13 -3.89 -0.03 0.00 -0.02 0.00 0.00 41.12 37.31 1ils n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ils s ASP 77 N -3.96 6.59 0.18 -2.24 -1.08 -1.09 -4.90 116.67 110.17 1ils s ASP 77 Ca 0.26 2.65 0.24 0.00 -0.52 0.00 0.00 52.55 55.19 1ils s ASP 77 Cb -0.13 -2.61 0.41 0.00 -1.46 0.00 0.00 42.92 39.13 1ils s ASP 77 CO 0.83 -0.79 1.42 0.77 0.52 0.00 0.00 175.17 177.91 1ils h SER 78 N 6.11 0.00 1.49 -0.34 4.64 -1.93 -3.22 113.55 120.30 1ils h SER 78 Ca -0.44 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1ils h SER 78 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ils h SER 78 CO 0.86 0.06 0.00 0.03 -0.87 0.00 0.00 176.83 176.91 1ils h ARG 79 N 0.00 0.00 -6.21 4.77 3.08 -1.98 -3.44 114.38 110.61 1ils h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ils h ARG 79 Cb 0.80 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.75 1ils h ARG 79 CO 0.00 0.00 0.70 0.08 -1.07 0.00 0.00 179.97 179.68 1ils s VAL 80 N -3.36 4.32 -0.02 2.04 1.01 -1.22 -4.48 120.40 118.69 1ils s VAL 80 Ca 0.05 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 1ils s VAL 80 Cb 0.08 -4.55 -0.20 0.00 0.00 0.00 0.00 36.38 31.71 1ils s VAL 80 CO 0.59 -1.05 1.26 0.40 0.00 0.00 0.00 175.10 176.30 1ils h ILE 81 N 6.10 1.33 -3.58 2.22 2.04 -1.35 -3.47 117.51 120.80 1ils h ILE 81 Ca -0.25 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1ils h ILE 81 Cb 1.07 2.07 -0.13 0.00 -0.74 0.00 0.00 36.82 39.09 1ils h ILE 81 CO 1.09 0.28 -0.20 0.00 0.00 0.00 0.00 178.15 179.32 1ils s ALA 82 N -4.30 -0.61 -0.03 1.87 0.00 -1.23 -5.00 121.76 112.46 1ils s ALA 82 Ca -0.16 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1ils s ALA 82 Cb 0.02 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1ils s ALA 82 CO 0.66 -0.59 0.83 -3.38 0.00 0.00 0.00 175.76 173.27 1ils s HIS 83 N -3.84 -0.45 0.67 0.00 -3.43 -1.26 -1.29 115.29 105.68 1ils s HIS 83 Ca 0.04 0.55 0.02 0.00 -0.80 0.00 0.00 55.06 54.88 1ils s HIS 83 Cb 0.03 0.49 0.11 0.00 -1.43 0.00 0.00 32.58 31.78 1ils s HIS 83 CO -0.11 -0.55 0.92 0.95 -2.00 0.00 0.00 174.74 173.95 1ils s THR 84 N -2.22 2.20 0.69 -5.38 -4.23 -0.64 -4.88 115.64 101.17 1ils s THR 84 Ca -0.01 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1ils s THR 84 Cb -0.01 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1ils s THR 84 CO -0.02 0.00 1.01 -1.59 -0.54 0.00 0.00 174.62 173.48 1ils s LYS 85 N -4.99 2.41 -0.08 3.99 -2.85 -1.26 -4.65 119.74 112.31 1ils s LYS 85 Ca 0.64 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 55.23 1ils s LYS 85 Cb -0.06 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.54 1ils s LYS 85 CO 0.42 -1.12 1.00 -1.17 0.10 0.00 0.00 175.35 174.58 1ils s LEU 86 N -5.23 4.28 -0.01 2.77 2.96 -1.26 -4.46 118.68 117.73 1ils s LEU 86 Ca 0.59 1.56 0.08 0.00 -0.22 0.00 0.00 54.13 56.14 1ils s LEU 86 Cb -0.11 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1ils s LEU 86 CO 0.46 -0.40 -0.26 0.27 -1.32 0.00 0.00 176.35 175.10 1ils s ILE 87 N 1.75 2.04 0.68 6.68 -4.36 -0.04 -4.90 121.20 123.05 1ils s ILE 87 Ca 0.49 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 59.76 1ils s ILE 87 Cb -0.19 -1.70 0.12 0.00 1.25 0.00 0.00 42.46 41.94 1ils s ILE 87 CO 0.20 0.54 0.94 -0.83 0.24 0.00 0.00 174.94 176.03 1ils s GLY 88 N -0.70 1.75 0.57 6.27 0.00 -1.26 -0.79 107.32 113.16 1ils s GLY 88 Ca 0.10 -1.86 -0.20 0.00 0.00 0.00 0.00 44.72 42.77 1ils s GLY 88 CO -0.01 -1.31 1.21 -1.35 0.00 0.00 0.00 173.10 171.64 1ils s SER 89 N -4.72 5.35 -0.38 1.64 1.04 -0.80 -2.47 113.70 113.36 1ils s SER 89 Ca 0.65 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.47 1ils s SER 89 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1ils s SER 89 CO 0.43 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1ils n GLY 90 N 0.48 0.61 3.65 7.32 0.00 -0.62 -4.96 105.19 111.68 1ils n GLY 90 Ca 0.13 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1ils n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ils s GLU 91 N -1.61 2.34 0.20 1.61 2.02 -1.03 -4.97 118.70 117.25 1ils s GLU 91 Ca 0.00 -1.31 -0.00 0.00 0.02 0.00 0.00 54.97 53.68 1ils s GLU 91 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1ils s GLU 91 CO 0.00 0.39 0.10 -1.59 0.02 0.00 0.00 175.26 174.18 1ils s LYS 92 N -3.44 1.20 0.07 1.61 -2.85 -1.26 -2.41 119.74 112.66 1ils s LYS 92 Ca 0.30 -1.62 -0.22 0.00 -1.00 0.00 0.00 55.97 53.43 1ils s LYS 92 Cb -0.07 0.09 0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1ils s LYS 92 CO 0.19 -0.32 0.51 0.34 0.10 0.00 0.00 175.35 176.17 1ils s ASP 93 N -3.18 -0.43 0.05 0.03 2.15 -0.09 -5.00 116.67 110.20 1ils s ASP 93 Ca 0.35 0.10 0.04 0.00 0.43 0.00 0.00 52.55 53.47 1ils s ASP 93 Cb 0.07 0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 43.17 1ils s ASP 93 CO 0.10 -0.76 -0.13 -0.55 -0.17 0.00 0.00 175.17 173.66 1ils s SER 94 N -2.14 1.53 -0.02 -0.34 0.15 -1.26 -0.45 113.70 111.17 1ils s SER 94 Ca -0.04 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1ils s SER 94 Cb -0.00 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1ils s SER 94 CO -0.04 -0.02 0.01 0.54 1.20 0.00 0.00 173.24 174.93 1ils s VAL 95 N -0.98 0.03 -0.11 4.45 0.11 -0.26 -4.94 120.40 118.70 1ils s VAL 95 Ca -0.01 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1ils s VAL 95 Cb -0.08 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 1ils s VAL 95 CO 0.01 0.09 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.78 1ils s THR 96 N 0.83 2.44 0.22 5.04 2.01 -1.26 -0.87 115.64 124.05 1ils s THR 96 Ca -0.07 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1ils s THR 96 Cb -0.11 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1ils s THR 96 CO -0.02 0.55 -0.04 0.72 -0.69 0.00 0.00 174.62 175.14 1ils s PHE 97 N 0.29 1.59 -0.30 4.92 -0.71 -0.57 -4.93 117.98 118.28 1ils s PHE 97 Ca -0.15 -0.82 -0.25 0.00 -1.04 0.00 0.00 56.93 54.67 1ils s PHE 97 Cb -0.17 -0.89 0.00 0.00 -1.21 0.00 0.00 43.02 40.76 1ils s PHE 97 CO 0.07 0.07 0.88 0.34 -1.34 0.00 0.00 175.22 175.25 1ils s ASP 98 N -3.31 6.78 0.56 1.98 -1.08 -1.26 -0.15 116.67 120.20 1ils s ASP 98 Ca 0.26 0.86 0.32 0.00 -0.52 0.00 0.00 52.55 53.47 1ils s ASP 98 Cb 0.04 -2.45 1.68 0.00 -1.46 0.00 0.00 42.92 40.73 1ils s ASP 98 CO 0.08 -0.67 2.14 0.58 0.52 0.00 0.00 175.17 177.82 1ils h VAL 99 N 5.60 0.36 0.00 1.11 2.07 -1.59 -1.09 116.25 122.70 1ils h VAL 99 Ca -0.23 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ils h VAL 99 Cb 1.08 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1ils h VAL 99 CO 0.93 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 177.38 1ils n SER 100 N -3.46 0.33 -0.44 0.57 7.64 -1.26 -0.78 113.62 116.21 1ils n SER 100 Ca -0.02 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.59 1ils n SER 100 Cb 0.20 -0.67 0.44 0.00 -1.01 0.00 0.00 64.21 63.16 1ils n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ils n LYS 101 N -1.90 1.58 -4.77 1.43 5.02 -0.41 -4.76 118.16 114.35 1ils n LYS 101 Ca 0.01 -0.87 -0.33 0.00 -2.02 0.00 0.00 58.31 55.10 1ils n LYS 101 Cb 0.10 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 1ils n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ils s LEU 102 N -1.63 2.78 0.09 -0.35 1.43 0.04 -5.11 118.68 115.92 1ils s LEU 102 Ca 0.33 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1ils s LEU 102 Cb 0.17 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1ils s LEU 102 CO 0.27 0.22 -0.10 -1.59 0.23 0.00 0.00 176.35 175.37 1ils s LYS 103 N 0.05 2.18 0.56 1.70 -2.85 -1.26 -5.03 119.74 115.08 1ils s LYS 103 Ca -0.04 -0.98 -0.19 0.00 -1.00 0.00 0.00 55.97 53.75 1ils s LYS 103 Cb -0.14 -2.32 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 1ils s LYS 103 CO 0.04 0.52 1.15 -1.83 0.10 0.00 0.00 175.35 175.33 1ils s GLU 104 N -2.07 3.25 0.00 1.78 -1.05 -1.26 -3.07 118.70 116.28 1ils s GLU 104 Ca 0.20 1.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.70 1ils s GLU 104 Cb -0.11 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 1ils s GLU 104 CO 0.12 -0.95 0.00 0.41 0.95 0.00 0.00 175.26 175.80 1ils n GLY 105 N 0.26 0.84 3.45 -3.83 0.00 -1.26 -5.04 105.19 99.60 1ils n GLY 105 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1ils n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ils s GLU 106 N -0.28 2.44 -0.24 1.61 2.12 -1.17 -5.11 118.70 118.07 1ils s GLU 106 Ca 0.00 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.36 1ils s GLU 106 Cb 0.00 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.06 1ils s GLU 106 CO 0.00 0.61 0.78 -0.65 -0.54 0.00 0.00 175.26 175.46 1ils s GLN 107 N -0.71 4.17 0.16 4.30 -0.21 -1.26 -4.84 119.66 121.28 1ils s GLN 107 Ca 0.11 0.85 0.09 0.00 0.02 0.00 0.00 55.36 56.43 1ils s GLN 107 Cb -0.11 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1ils s GLN 107 CO 0.00 -0.48 -0.11 0.71 -2.12 0.00 0.00 175.29 173.29 1ils s TYR 108 N 2.72 2.62 -0.01 0.91 2.02 -1.20 -0.42 117.35 123.98 1ils s TYR 108 Ca 0.33 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 1ils s TYR 108 Cb -0.15 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1ils s TYR 108 CO 0.08 0.48 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.80 1ils s MET 109 N -2.64 0.82 0.08 -0.62 -1.94 -0.44 -1.89 119.30 112.66 1ils s MET 109 Ca 0.23 -0.34 0.03 0.00 -1.71 0.00 0.00 55.69 53.90 1ils s MET 109 Cb -0.09 -0.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.92 1ils s MET 109 CO 0.14 0.19 0.09 -0.59 -0.01 0.00 0.00 175.02 174.84 1ils s PHE 110 N -0.15 3.22 0.21 -0.03 -0.71 -0.41 -2.02 117.98 118.10 1ils s PHE 110 Ca 0.03 0.09 -0.20 0.00 -1.04 0.00 0.00 56.93 55.81 1ils s PHE 110 Cb -0.05 -1.63 0.07 0.00 -1.21 0.00 0.00 43.02 40.20 1ils s PHE 110 CO -0.00 0.53 0.97 1.97 -1.34 0.00 0.00 175.22 177.35 1ils n PHE 111 N 0.43 -1.51 -5.11 3.49 -1.74 -0.64 -0.87 117.46 111.51 1ils n PHE 111 Ca -0.08 -1.34 -0.32 0.00 -0.56 0.00 0.00 57.45 55.15 1ils n PHE 111 Cb 0.52 0.66 -0.15 0.00 1.52 0.00 0.00 39.48 42.02 1ils n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ils n THR 113 N 2.62 0.00 -1.70 0.00 -2.24 -1.26 -3.10 114.28 108.59 1ils n THR 113 Ca -0.17 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1ils n THR 113 Cb 0.52 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1ils n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ils n PHE 114 N 0.60 2.61 -1.67 4.78 -0.00 -1.26 -4.34 117.46 118.17 1ils n PHE 114 Ca 0.13 0.04 -0.57 0.00 -0.00 0.00 0.00 57.45 57.05 1ils n PHE 114 Cb 0.50 -2.66 -0.07 0.00 -0.00 0.00 0.00 39.48 37.25 1ils n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ils n PRO 115 N 4.33 1.03 0.00 -7.13 -0.02 -1.26 -0.92 135.00 131.04 1ils n PRO 115 Ca 0.17 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ils n PRO 115 Cb 0.34 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1ils n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ils n GLY 116 N 3.65 2.94 0.30 -1.23 0.00 -1.26 -4.93 105.19 104.65 1ils n GLY 116 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 1ils n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ils h HIS 117 N 0.00 0.50 0.00 1.61 3.86 -1.30 -3.02 115.15 116.80 1ils h HIS 117 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ils h HIS 117 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1ils h HIS 117 CO 0.00 0.37 0.00 -1.13 0.86 0.00 0.00 177.93 178.03 1ils n SER 118 N -4.42 0.69 -0.21 2.45 3.41 -1.18 -0.57 113.62 113.79 1ils n SER 118 Ca 0.02 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1ils n SER 118 Cb 0.11 -0.83 0.44 0.00 -0.26 0.00 0.00 64.21 63.67 1ils n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ils h ALA 119 N 2.21 1.96 0.00 7.33 0.00 -1.87 -3.26 119.26 125.63 1ils h ALA 119 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ils h ALA 119 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ils h ALA 119 CO 0.00 -0.18 -0.92 1.28 0.00 0.00 0.00 179.25 179.43 1ils n LEU 120 N -4.52 0.00 -4.28 0.00 4.77 -0.43 -4.83 117.00 107.72 1ils n LEU 120 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1ils n LEU 120 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ils n LEU 120 CO 0.31 0.00 1.45 0.23 -1.33 0.00 0.00 177.39 178.05 1ils n MET 121 N -1.73 3.52 -3.87 3.23 2.81 0.27 -4.65 117.12 116.70 1ils n MET 121 Ca 0.00 -3.89 -0.10 0.00 -1.81 0.00 0.00 57.70 51.90 1ils n MET 121 Cb 0.31 -2.92 -0.09 0.00 -0.71 0.00 0.00 33.22 29.81 1ils n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1ils s LYS 122 N 0.68 0.63 0.22 0.03 -2.85 -1.26 -1.80 119.74 115.39 1ils s LYS 122 Ca 0.40 -0.61 -0.23 0.00 -1.00 0.00 0.00 55.97 54.54 1ils s LYS 122 Cb -0.00 0.26 0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1ils s LYS 122 CO -0.00 -0.17 0.75 0.20 0.10 0.00 0.00 175.35 176.23 1ils s GLY 123 N -1.95 -0.24 0.05 0.59 0.00 -0.05 -4.71 107.32 101.02 1ils s GLY 123 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 1ils s GLY 123 CO -0.03 -0.00 0.48 -0.51 0.00 0.00 0.00 173.10 173.04 1ils s THR 124 N -3.72 4.92 -0.03 0.90 -4.23 0.23 -1.29 115.64 112.43 1ils s THR 124 Ca 0.09 0.92 0.07 0.00 -1.18 0.00 0.00 61.69 61.59 1ils s THR 124 Cb -0.04 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 1ils s THR 124 CO 0.01 0.50 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.13 1ils s LEU 125 N -1.30 2.05 -0.09 4.79 0.20 -0.79 0.20 118.68 123.74 1ils s LEU 125 Ca 0.28 -0.46 -0.23 0.00 0.69 0.00 0.00 54.13 54.41 1ils s LEU 125 Cb -0.17 -1.28 0.05 0.00 -0.43 0.00 0.00 46.19 44.36 1ils s LEU 125 CO 0.16 0.28 0.55 0.28 -0.29 0.00 0.00 176.35 177.33 1ils s THR 126 N -0.41 0.02 0.03 3.68 -1.32 -0.84 -3.23 115.64 113.56 1ils s THR 126 Ca 0.05 -0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1ils s THR 126 Cb -0.11 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 1ils s THR 126 CO 0.01 -0.07 1.15 -0.76 -2.21 0.00 0.00 174.62 172.73 1ils s LEU 127 N -0.78 4.36 0.00 9.08 1.43 -1.26 -1.23 118.68 130.27 1ils s LEU 127 Ca -0.08 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1ils s LEU 127 Cb -0.03 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1ils s LEU 127 CO 0.06 -0.44 0.05 0.29 0.23 0.00 0.00 176.35 176.54