#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 1.92 -2.06 0.00 2.13 -1.26 -2.96 120.64 118.41 1ils n GLU 2 Ca 0.00 0.56 -0.10 0.00 0.66 0.00 0.00 57.16 58.28 1ils n GLU 2 Cb 0.00 -3.06 -0.02 0.00 0.27 0.00 0.00 31.44 28.63 1ils n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ils s SER 4 N -1.95 -0.28 0.02 0.00 1.04 -1.15 -0.95 113.70 110.42 1ils s SER 4 Ca 0.00 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1ils s SER 4 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1ils s SER 4 CO 0.00 -0.64 -0.04 0.54 0.98 0.00 0.00 173.24 174.08 1ils s VAL 5 N -2.32 0.25 -0.17 5.02 0.11 0.27 0.43 120.40 123.99 1ils s VAL 5 Ca -0.06 -0.78 -0.07 0.00 -2.93 0.00 0.00 61.98 58.14 1ils s VAL 5 Cb -0.01 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1ils s VAL 5 CO -0.01 -0.34 0.08 -1.81 -3.33 0.00 0.00 175.10 169.69 1ils s ASP 6 N -1.18 5.84 0.05 3.54 1.01 -1.26 -0.43 116.67 124.25 1ils s ASP 6 Ca -0.10 0.18 0.06 0.00 0.71 0.00 0.00 52.55 53.40 1ils s ASP 6 Cb -0.08 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1ils s ASP 6 CO -0.00 0.23 -0.18 -0.55 0.21 0.00 0.00 175.17 174.88 1ils s SER 7 N 0.05 2.12 -0.02 0.27 0.15 0.31 -4.89 113.70 111.69 1ils s SER 7 Ca 0.07 -0.54 0.05 0.00 0.70 0.00 0.00 55.95 56.23 1ils s SER 7 Cb -0.12 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1ils s SER 7 CO 0.00 0.08 -0.17 -1.10 1.20 0.00 0.00 173.24 173.24 1ils s GLN 8 N -1.34 1.52 -0.17 5.44 -0.21 -1.26 -1.52 119.66 122.12 1ils s GLN 8 Ca 0.04 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1ils s GLN 8 Cb -0.09 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.51 1ils s GLN 8 CO 0.02 0.34 -0.19 0.20 -2.12 0.00 0.00 175.29 173.54 1ils s GLY 9 N -0.29 1.40 0.56 3.09 0.00 -0.53 -1.45 107.32 110.10 1ils s GLY 9 Ca 0.04 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.65 1ils s GLY 9 CO 0.00 0.19 0.55 1.16 0.00 0.00 0.00 173.10 175.00 1ils n ASN 10 N 4.45 2.54 0.00 1.64 0.23 -0.88 -3.68 115.26 119.57 1ils n ASN 10 Ca -0.20 -2.78 0.07 0.00 -0.53 0.00 0.00 54.58 51.14 1ils n ASN 10 Cb 0.51 -0.17 0.43 0.00 -2.08 0.00 0.00 39.78 38.47 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 -2.00 0.00 -1.04 0.53 8.00 -1.25 -2.42 116.55 118.37 1ils n ASP 11 Ca 0.04 -0.40 0.05 0.00 0.71 0.00 0.00 54.79 55.19 1ils n ASP 11 Cb 0.62 -0.03 0.25 0.00 -0.02 0.00 0.00 41.12 41.94 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 -1.03 2.75 -3.65 -1.24 3.00 -1.26 -4.98 117.38 110.97 1ils n GLN 12 Ca 0.11 -2.93 -0.22 0.00 -0.01 0.00 0.00 57.00 53.94 1ils n GLN 12 Cb 0.06 -1.87 0.05 0.00 0.00 0.00 0.00 30.24 28.48 1ils n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1ils n MET 13 N -0.62 -5.87 -4.41 -1.09 2.81 -1.02 -5.01 117.12 101.91 1ils n MET 13 Ca 0.26 0.71 -0.21 0.00 -1.81 0.00 0.00 57.70 56.64 1ils n MET 13 Cb 0.97 -5.51 -0.13 0.00 -0.71 0.00 0.00 33.22 27.84 1ils n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1ils s GLN 14 N -5.96 1.03 0.08 0.03 -0.21 -1.26 -4.40 119.66 108.97 1ils s GLN 14 Ca 0.19 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 1ils s GLN 14 Cb -0.09 -1.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.81 1ils s GLN 14 CO 0.78 0.26 0.25 -0.06 -2.12 0.00 0.00 175.29 174.41 1ils s PHE 15 N -0.85 3.51 -0.04 0.91 0.08 -1.26 -2.07 117.98 118.26 1ils s PHE 15 Ca 0.03 0.33 0.29 0.00 0.12 0.00 0.00 56.93 57.69 1ils s PHE 15 Cb -0.08 -1.82 0.99 0.00 -0.57 0.00 0.00 43.02 41.54 1ils s PHE 15 CO 0.01 0.55 1.85 -2.95 -0.10 0.00 0.00 175.22 174.58 1ils h ASN 16 N 3.03 0.00 -2.62 1.36 -1.07 -1.64 -3.44 115.58 111.20 1ils h ASN 16 Ca -0.45 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.38 1ils h ASN 16 Cb 1.16 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 37.27 1ils h ASN 16 CO 0.75 0.05 -0.70 0.28 0.07 0.00 0.00 177.43 177.88 1ils s THR 17 N -3.52 1.95 0.00 6.14 -1.32 -1.26 -5.03 115.64 112.60 1ils s THR 17 Ca 0.03 -2.21 0.00 0.00 -1.21 0.00 0.00 61.69 58.30 1ils s THR 17 Cb 0.08 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 1ils s THR 17 CO 0.60 -0.35 0.65 -0.46 -2.21 0.00 0.00 174.62 172.85 1ils n ASN 18 N -0.60 0.75 -3.69 8.08 0.23 -1.26 -4.88 115.26 113.88 1ils n ASN 18 Ca -0.06 -1.36 -0.11 0.00 -0.53 0.00 0.00 54.58 52.53 1ils n ASN 18 Cb 0.62 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.21 1ils n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ils s ALA 19 N -0.36 -0.83 -0.07 -2.53 0.00 -1.26 -2.08 121.76 114.64 1ils s ALA 19 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1ils s ALA 19 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1ils s ALA 19 CO 0.00 -0.42 -0.25 0.42 0.00 0.00 0.00 175.76 175.51 1ils s ILE 20 N 1.82 2.08 -0.39 0.00 1.01 -0.02 -4.96 121.20 120.73 1ils s ILE 20 Ca -0.06 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 1ils s ILE 20 Cb -0.10 -1.76 0.07 0.00 0.01 0.00 0.00 42.46 40.67 1ils s ILE 20 CO -0.11 0.57 0.21 -0.89 0.00 0.00 0.00 174.94 174.72 1ils s THR 21 N -0.04 4.03 0.21 2.92 2.01 -1.26 -0.81 115.64 122.70 1ils s THR 21 Ca -0.07 -1.36 -0.25 0.00 0.31 0.00 0.00 61.69 60.32 1ils s THR 21 Cb -0.15 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 1ils s THR 21 CO 0.05 -0.42 0.81 -0.69 -0.69 0.00 0.00 174.62 173.68 1ils s VAL 22 N 1.40 4.35 -0.09 3.82 1.01 0.13 -4.94 120.40 126.09 1ils s VAL 22 Ca 0.02 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1ils s VAL 22 Cb -0.22 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1ils s VAL 22 CO 0.02 0.39 0.13 -0.62 0.00 0.00 0.00 175.10 175.02 1ils s ASP 23 N -1.34 6.26 0.38 3.32 2.15 -1.26 -0.48 116.67 125.69 1ils s ASP 23 Ca 0.40 0.40 0.08 0.00 0.43 0.00 0.00 52.55 53.86 1ils s ASP 23 Cb -0.21 -1.98 0.80 0.00 -0.30 0.00 0.00 42.92 41.23 1ils s ASP 23 CO 0.25 0.37 1.96 0.11 -0.17 0.00 0.00 175.17 177.69 1ils h LYS 24 N 4.71 0.66 0.00 4.34 1.57 -1.22 -1.35 116.57 125.28 1ils h LYS 24 Ca -0.53 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1ils h LYS 24 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ils h LYS 24 CO 0.60 0.44 0.00 0.43 -0.57 0.00 0.00 179.45 180.35 1ils n SER 25 N -4.48 0.01 -4.73 0.86 7.64 -1.26 -4.66 113.62 106.99 1ils n SER 25 Ca 0.11 0.50 -0.41 0.00 1.01 0.00 0.00 58.87 60.08 1ils n SER 25 Cb 0.26 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1ils n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ils h LYS 27 N 5.67 0.21 -4.88 0.00 6.56 -1.88 -3.43 116.57 118.83 1ils h LYS 27 Ca -0.43 -0.34 -0.30 0.00 -1.06 0.00 0.00 60.65 58.52 1ils h LYS 27 Cb 1.21 0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 32.85 1ils h LYS 27 CO 0.73 1.14 -0.68 -0.65 -2.06 0.00 0.00 179.45 177.93 1ils s GLN 28 N -2.75 1.08 -0.01 3.15 -0.21 -1.26 -0.65 119.66 119.01 1ils s GLN 28 Ca -0.03 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 53.86 1ils s GLN 28 Cb 0.08 -0.40 0.01 0.00 1.00 0.00 0.00 33.01 33.70 1ils s GLN 28 CO 0.86 -0.05 -0.00 0.12 -2.12 0.00 0.00 175.29 174.10 1ils s PHE 29 N -3.53 0.12 -0.07 0.91 5.36 -0.66 -4.85 117.98 115.26 1ils s PHE 29 Ca 0.20 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1ils s PHE 29 Cb 0.05 -0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 1ils s PHE 29 CO 0.02 -0.04 -0.16 0.99 -1.46 0.00 0.00 175.22 174.57 1ils s THR 30 N 0.37 2.89 -0.10 0.12 2.01 -0.13 -1.40 115.64 119.40 1ils s THR 30 Ca -0.03 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1ils s THR 30 Cb -0.05 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1ils s THR 30 CO -0.01 0.57 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.60 1ils s VAL 31 N -0.43 2.36 -0.33 3.82 1.01 -0.29 -0.57 120.40 125.98 1ils s VAL 31 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1ils s VAL 31 Cb -0.12 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1ils s VAL 31 CO 0.02 0.55 0.06 0.20 0.00 0.00 0.00 175.10 175.93 1ils s ASN 32 N 0.26 4.99 0.09 3.32 0.01 0.42 -1.63 114.94 122.40 1ils s ASN 32 Ca -0.14 -1.53 -0.17 0.00 -0.71 0.00 0.00 52.86 50.31 1ils s ASN 32 Cb -0.17 -1.74 -0.07 0.00 0.41 0.00 0.00 41.25 39.69 1ils s ASN 32 CO 0.07 -0.34 0.54 -0.22 -1.51 0.00 0.00 177.10 175.63 1ils s LEU 33 N 1.20 4.46 0.18 0.60 2.96 0.13 -0.53 118.68 127.68 1ils s LEU 33 Ca -0.00 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1ils s LEU 33 Cb -0.20 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1ils s LEU 33 CO -0.02 0.22 0.17 -0.94 -1.32 0.00 0.00 176.35 174.46 1ils s SER 34 N -1.31 0.15 -0.32 3.68 1.04 -0.57 -1.39 113.70 114.98 1ils s SER 34 Ca 0.31 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 1ils s SER 34 Cb -0.18 0.39 0.11 0.00 0.10 0.00 0.00 66.02 66.44 1ils s SER 34 CO 0.18 -0.85 0.14 -2.28 0.98 0.00 0.00 173.24 171.41 1ils s HIS 35 N -4.09 1.03 0.62 5.02 2.46 -1.17 -1.45 115.29 117.70 1ils s HIS 35 Ca 0.31 -1.42 -0.19 0.00 0.47 0.00 0.00 55.06 54.23 1ils s HIS 35 Cb 0.06 -1.29 -0.02 0.00 -0.13 0.00 0.00 32.58 31.20 1ils s HIS 35 CO 0.08 -0.85 1.32 -0.35 -2.47 0.00 0.00 174.74 172.47 1ils n PRO 36 N 4.82 1.31 0.00 2.88 -0.04 -1.24 -1.15 135.00 141.57 1ils n PRO 36 Ca -0.01 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1ils n PRO 36 Cb 0.41 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 0.87 0.56 0.00 0.55 0.00 -1.26 -3.86 105.19 102.05 1ils n GLY 37 Ca 0.14 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.04 -4.79 1.61 4.13 -1.26 -4.63 115.26 110.36 1ils n ASN 38 Ca 0.00 -0.58 -0.37 0.00 1.68 0.00 0.00 54.58 55.31 1ils n ASN 38 Cb 0.00 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 1ils n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ils s LEU 39 N -0.07 4.43 1.13 3.41 1.43 -1.26 -4.86 118.68 122.89 1ils s LEU 39 Ca 0.00 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.60 1ils s LEU 39 Cb 0.00 -3.66 0.25 0.00 0.03 0.00 0.00 46.19 42.81 1ils s LEU 39 CO 0.00 0.05 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 1ils s PRO 40 N -1.75 -0.64 0.30 1.29 0.04 -1.26 -1.73 135.00 131.26 1ils s PRO 40 Ca 0.44 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 1ils s PRO 40 Cb -0.20 -1.63 0.46 0.00 0.04 0.00 0.00 34.50 33.17 1ils s PRO 40 CO 0.24 -3.40 1.94 -0.22 0.04 0.00 0.00 177.00 175.61 1ils h LYS 41 N -2.37 1.00 0.00 4.56 3.64 -1.85 -1.44 116.57 120.11 1ils h LYS 41 Ca -0.51 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1ils h LYS 41 Cb 1.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1ils h LYS 41 CO 0.46 0.70 0.00 0.27 -2.27 0.00 0.00 179.45 178.62 1ils n ASN 42 N -4.39 0.36 -0.10 4.20 6.94 -1.26 -0.12 115.26 120.89 1ils n ASN 42 Ca 0.08 0.56 -0.18 0.00 -0.02 0.00 0.00 54.58 55.02 1ils n ASN 42 Cb 0.07 -0.65 -0.08 0.00 -2.36 0.00 0.00 39.78 36.76 1ils n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ils n VAL 43 N -1.87 1.15 -2.66 3.53 0.31 -1.12 -4.79 118.33 112.89 1ils n VAL 43 Ca 0.04 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 1ils n VAL 43 Cb 0.28 -1.50 0.03 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.52 1.57 -2.31 5.55 0.00 -0.56 -5.05 117.12 112.80 1ils n MET 44 Ca -0.39 -3.46 -0.37 0.00 0.00 0.00 0.00 57.70 53.48 1ils n MET 44 Cb 0.83 -1.45 -0.01 0.00 0.00 0.00 0.00 33.22 32.59 1ils n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ils s GLY 45 N -3.31 2.76 0.03 -5.12 0.00 0.82 -4.74 107.32 97.76 1ils s GLY 45 Ca 0.30 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.92 1ils s GLY 45 CO -0.00 1.33 -0.06 0.30 0.00 0.00 0.00 173.10 174.67 1ils s HIS 46 N -1.58 0.52 0.19 1.90 3.76 0.03 -4.72 115.29 115.39 1ils s HIS 46 Ca 0.63 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1ils s HIS 46 Cb -0.27 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1ils s HIS 46 CO 0.33 -0.12 0.02 0.54 -0.85 0.00 0.00 174.74 174.66 1ils s ASN 47 N -1.48 1.21 -0.17 1.40 2.20 -1.26 -0.91 114.94 115.92 1ils s ASN 47 Ca -0.12 -1.21 -0.00 0.00 -0.94 0.00 0.00 52.86 50.59 1ils s ASN 47 Cb -0.10 0.13 0.00 0.00 -2.00 0.00 0.00 41.25 39.28 1ils s ASN 47 CO -0.00 -0.60 -0.14 0.86 -2.94 0.00 0.00 177.10 174.28 1ils s TRP 48 N -3.67 2.81 -0.02 1.54 -0.00 -1.26 -4.22 118.94 114.11 1ils s TRP 48 Ca 0.26 -1.11 0.06 0.00 -0.00 0.00 0.00 56.10 55.31 1ils s TRP 48 Cb 0.06 -1.92 -0.01 0.00 -0.00 0.00 0.00 33.47 31.60 1ils s TRP 48 CO 0.06 -0.53 -0.19 0.08 -0.00 0.00 0.00 176.95 176.37 1ils s VAL 49 N 0.97 1.50 -0.05 5.86 1.01 -0.56 -1.16 120.40 127.98 1ils s VAL 49 Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ils s VAL 49 Cb -0.15 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1ils s VAL 49 CO -0.02 0.43 -0.22 -0.22 0.00 0.00 0.00 175.10 175.06 1ils s LEU 50 N -0.34 2.02 0.00 3.92 2.96 -0.03 -1.30 118.68 125.91 1ils s LEU 50 Ca 0.05 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1ils s LEU 50 Cb -0.08 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1ils s LEU 50 CO -0.00 0.22 0.41 -1.54 -1.32 0.00 0.00 176.35 174.12 1ils n SER 51 N 2.98 -1.16 -4.81 3.68 3.41 -1.01 -0.31 113.62 116.41 1ils n SER 51 Ca -0.17 -2.30 -0.31 0.00 -0.26 0.00 0.00 58.87 55.83 1ils n SER 51 Cb 0.52 2.08 0.07 0.00 -0.26 0.00 0.00 64.21 66.62 1ils n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ils s THR 52 N -2.61 3.70 0.45 6.66 -4.23 -1.26 -1.21 115.64 117.13 1ils s THR 52 Ca 0.18 0.55 0.17 0.00 -1.18 0.00 0.00 61.69 61.41 1ils s THR 52 Cb -0.01 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.76 1ils s THR 52 CO 0.13 -0.72 2.01 0.00 -0.54 0.00 0.00 174.62 175.50 1ils h ALA 53 N -0.86 1.61 -0.32 3.99 0.00 -0.47 -0.86 119.26 122.35 1ils h ALA 53 Ca -0.45 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 1ils h ALA 53 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ils h ALA 53 CO 0.57 0.21 -0.35 0.00 0.00 0.00 0.00 179.25 179.68 1ils h ALA 54 N 1.83 0.79 0.00 0.00 0.00 -1.91 -3.31 119.26 116.67 1ils h ALA 54 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ils h ALA 54 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ils h ALA 54 CO 0.02 0.65 -0.54 -0.44 0.00 0.00 0.00 179.25 178.94 1ils h ASP 55 N 0.60 0.00 -0.91 0.00 3.32 -1.51 -3.39 116.42 114.52 1ils h ASP 55 Ca 0.06 -0.12 0.20 0.00 0.02 0.00 0.00 57.03 57.19 1ils h ASP 55 Cb 0.88 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.26 1ils h ASP 55 CO 0.08 0.06 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.49 1ils h MET 56 N 0.00 0.02 -0.84 3.56 1.85 -1.58 -2.18 114.93 115.76 1ils h MET 56 Ca 0.00 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ils h MET 56 Cb 0.82 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.81 1ils h MET 56 CO 0.00 0.01 0.48 0.37 -0.40 0.00 0.00 176.91 177.37 1ils h GLN 57 N 0.02 1.14 -0.06 0.39 5.75 -1.82 -0.38 115.11 120.15 1ils h GLN 57 Ca 0.47 -0.11 -0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1ils h GLN 57 Cb 0.81 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1ils h GLN 57 CO -0.90 0.81 -0.75 0.78 -2.65 0.00 0.00 178.83 176.13 1ils h GLY 58 N 1.18 0.40 0.95 2.39 0.00 -1.72 -1.22 103.07 105.04 1ils h GLY 58 Ca 0.30 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1ils h GLY 58 CO -0.05 0.52 0.17 -2.08 0.00 0.00 0.00 176.54 175.10 1ils h VAL 59 N 0.24 1.20 0.33 4.60 2.07 -0.78 0.70 116.25 124.61 1ils h VAL 59 Ca -0.03 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1ils h VAL 59 Cb 1.32 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1ils h VAL 59 CO 0.13 0.23 -0.16 0.58 0.02 0.00 0.00 177.57 178.36 1ils h VAL 60 N 0.55 0.68 -0.17 2.57 2.07 -0.88 0.11 116.25 121.19 1ils h VAL 60 Ca 0.14 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1ils h VAL 60 Cb 0.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ils h VAL 60 CO -0.01 0.02 0.11 0.74 0.02 0.00 0.00 177.57 178.44 1ils h THR 61 N -0.49 1.06 -0.03 2.57 2.02 -1.07 -0.94 112.91 116.02 1ils h THR 61 Ca -0.05 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1ils h THR 61 Cb 0.37 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1ils h THR 61 CO 0.08 0.06 -0.28 0.44 0.37 0.00 0.00 175.52 176.18 1ils h ASP 62 N 0.22 0.06 0.21 4.18 3.32 -0.85 -2.11 116.42 121.44 1ils h ASP 62 Ca 0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ils h ASP 62 Cb -0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ils h ASP 62 CO -0.01 0.34 -0.10 1.23 -1.72 0.00 0.00 179.24 178.98 1ils h GLY 63 N 0.90 -0.29 1.26 2.75 0.00 -0.57 -2.30 103.07 104.83 1ils h GLY 63 Ca 0.01 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1ils h GLY 63 CO 0.04 -0.10 0.39 1.98 0.00 0.00 0.00 176.54 178.84 1ils h MET 64 N -0.48 0.60 0.00 4.80 1.85 -0.87 -0.29 114.93 120.55 1ils h MET 64 Ca -0.03 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1ils h MET 64 Cb 0.36 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1ils h MET 64 CO 0.05 0.40 0.00 0.00 -0.40 0.00 0.00 176.91 176.96 1ils n ALA 65 N -2.47 2.02 0.14 0.39 0.00 -0.82 -3.72 120.51 116.04 1ils n ALA 65 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1ils n ALA 65 Cb 0.18 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.32 1ils n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ils h SER 66 N 0.00 0.00 -4.79 0.00 0.02 -0.48 -3.50 113.55 104.80 1ils h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ils h SER 66 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ils h SER 66 CO 0.00 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 1ils n GLY 67 N 0.77 1.13 0.28 -3.77 0.00 -1.24 -4.10 105.19 98.25 1ils n GLY 67 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 0.90 -1.70 0.99 5.85 -1.92 -0.14 115.31 119.28 1ils h LEU 68 Ca 0.00 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ils h LEU 68 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1ils h LEU 68 CO 0.00 0.88 -0.16 -2.24 -0.34 0.00 0.00 178.44 176.58 1ils h ASP 69 N 0.87 0.00 -0.50 1.25 2.03 -2.02 0.25 116.42 118.31 1ils h ASP 69 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1ils h ASP 69 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1ils h ASP 69 CO -0.00 0.16 0.00 0.29 -1.03 0.00 0.00 179.24 178.66 1ils n LYS 70 N -3.65 3.75 -2.29 4.15 4.76 -0.63 -4.92 118.16 119.33 1ils n LYS 70 Ca -0.01 -2.45 -0.16 0.00 -2.87 0.00 0.00 58.31 52.81 1ils n LYS 70 Cb 0.29 -1.97 -0.02 0.00 -1.84 0.00 0.00 35.03 31.49 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 0.68 -4.68 -3.15 4.39 9.92 0.08 -2.81 116.55 120.98 1ils n ASP 71 Ca 0.22 0.15 -0.23 0.00 -0.53 0.00 0.00 54.79 54.40 1ils n ASP 71 Cb 0.90 -3.97 0.02 0.00 -0.64 0.00 0.00 41.12 37.43 1ils n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ils n TYR 72 N -3.43 -1.92 -4.01 1.24 4.01 -0.16 -4.69 117.16 108.20 1ils n TYR 72 Ca -0.19 0.51 -0.17 0.00 -0.16 0.00 0.00 57.90 57.89 1ils n TYR 72 Cb 0.63 -3.96 -0.16 0.00 -0.31 0.00 0.00 39.34 35.54 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 -6.62 1.33 0.06 7.72 1.43 -1.12 -4.03 118.68 117.45 1ils s LEU 73 Ca 0.34 -0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 1ils s LEU 73 Cb -0.16 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 45.71 1ils s LEU 73 CO 0.42 -0.07 1.54 -0.75 0.23 0.00 0.00 176.35 177.73 1ils s LYS 74 N 0.82 4.24 0.26 1.70 2.20 -1.26 -4.85 119.74 122.85 1ils s LYS 74 Ca -0.09 2.20 -0.31 0.00 -0.36 0.00 0.00 55.97 57.41 1ils s LYS 74 Cb -0.12 -3.52 -0.12 0.00 -1.51 0.00 0.00 37.83 32.56 1ils s LYS 74 CO -0.01 -0.65 1.61 -2.30 -0.36 0.00 0.00 175.35 173.64 1ils n PRO 75 N 5.25 2.63 -3.84 4.03 -0.02 -1.26 -3.10 135.00 138.69 1ils n PRO 75 Ca 0.14 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 62.32 1ils n PRO 75 Cb 0.41 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 2.66 -0.96 -4.71 2.55 8.00 -1.26 -4.92 116.55 117.91 1ils n ASP 76 Ca 0.11 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1ils n ASP 76 Cb 0.35 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 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 -4.31 7.05 0.41 -2.24 -1.08 -1.18 -4.91 116.67 110.40 1ils s ASP 77 Ca 0.03 2.00 0.16 0.00 -0.52 0.00 0.00 52.55 54.23 1ils s ASP 77 Cb -0.01 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 39.76 1ils s ASP 77 CO 0.86 -0.51 1.88 0.77 0.52 0.00 0.00 175.17 178.69 1ils h SER 78 N 6.97 0.00 0.51 -0.34 4.64 -1.93 -2.99 113.55 120.42 1ils h SER 78 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1ils h SER 78 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ils h SER 78 CO 0.83 0.30 -0.22 0.54 -0.87 0.00 0.00 176.83 177.41 1ils n ARG 79 N -4.00 0.37 -2.95 4.77 1.74 -1.26 -4.82 116.66 110.51 1ils n ARG 79 Ca -0.02 -0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 1ils n ARG 79 Cb 0.36 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 1ils n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ils s VAL 80 N -2.73 4.87 0.01 1.55 1.01 -1.13 -4.47 120.40 119.50 1ils s VAL 80 Ca 0.20 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.43 1ils s VAL 80 Cb 0.19 -4.07 -0.33 0.00 0.00 0.00 0.00 36.38 32.17 1ils s VAL 80 CO 0.56 -0.06 0.98 0.40 0.00 0.00 0.00 175.10 176.98 1ils h ILE 81 N 5.44 1.36 -2.09 2.22 2.04 -0.98 -3.48 117.51 122.02 1ils h ILE 81 Ca -0.24 -2.60 -0.06 0.00 1.00 0.00 0.00 64.86 62.95 1ils h ILE 81 Cb 1.10 3.05 -0.19 0.00 -0.74 0.00 0.00 36.82 40.03 1ils h ILE 81 CO 0.85 0.77 0.14 0.00 0.00 0.00 0.00 178.15 179.91 1ils s ALA 82 N -2.61 -1.69 -0.03 1.87 0.00 -1.25 -5.00 121.76 113.06 1ils s ALA 82 Ca -0.11 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1ils s ALA 82 Cb 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1ils s ALA 82 CO 0.91 -0.36 0.51 -3.38 0.00 0.00 0.00 175.76 173.43 1ils s HIS 83 N -1.05 -0.43 0.47 0.00 -3.43 -1.26 -0.85 115.29 108.75 1ils s HIS 83 Ca -0.10 0.73 -0.03 0.00 -0.80 0.00 0.00 55.06 54.86 1ils s HIS 83 Cb -0.01 0.26 0.10 0.00 -1.43 0.00 0.00 32.58 31.50 1ils s HIS 83 CO 0.09 -0.51 0.65 0.25 -2.00 0.00 0.00 174.74 173.22 1ils n THR 84 N 1.09 0.00 -2.38 -5.38 -2.24 -0.31 -4.87 114.28 100.19 1ils n THR 84 Ca -0.20 -0.86 -0.25 0.00 -2.27 0.00 0.00 64.05 60.47 1ils n THR 84 Cb 0.57 -1.24 0.10 0.00 -2.10 0.00 0.00 70.33 67.66 1ils n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ils s LYS 85 N -4.20 1.75 0.07 -0.78 -2.85 -1.26 -4.61 119.74 107.86 1ils s LYS 85 Ca 0.41 -0.72 -0.28 0.00 -1.00 0.00 0.00 55.97 54.38 1ils s LYS 85 Cb -0.02 -2.23 -0.05 0.00 -2.06 0.00 0.00 37.83 33.47 1ils s LYS 85 CO 0.28 -1.46 0.88 -1.17 0.10 0.00 0.00 175.35 173.98 1ils s LEU 86 N -5.25 4.46 0.02 2.77 2.96 -1.26 -4.36 118.68 118.03 1ils s LEU 86 Ca 0.65 1.63 0.05 0.00 -0.22 0.00 0.00 54.13 56.24 1ils s LEU 86 Cb -0.07 -3.44 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1ils s LEU 86 CO 0.45 -0.06 -0.15 0.27 -1.32 0.00 0.00 176.35 175.53 1ils s ILE 87 N 0.14 1.22 0.32 6.68 -4.36 -0.09 -4.86 121.20 120.24 1ils s ILE 87 Ca 0.44 -0.90 0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1ils s ILE 87 Cb -0.22 -1.06 0.06 0.00 1.25 0.00 0.00 42.46 42.49 1ils s ILE 87 CO 0.27 0.15 0.44 0.61 0.24 0.00 0.00 174.94 176.65 1ils n GLY 88 N 2.19 1.01 3.77 6.27 0.00 -1.26 -0.79 105.19 116.38 1ils n GLY 88 Ca -0.16 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 1ils n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ils s SER 89 N -2.83 6.56 0.00 1.61 1.04 -0.70 -2.46 113.70 116.92 1ils s SER 89 Ca 0.30 2.35 0.00 0.00 0.48 0.00 0.00 55.95 59.08 1ils s SER 89 Cb -0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1ils s SER 89 CO 0.20 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1ils n GLY 90 N 0.64 2.42 3.88 7.32 0.00 -0.30 -4.95 105.19 114.21 1ils n GLY 90 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.31 3.74 0.06 1.61 2.02 -1.03 -4.96 118.70 119.84 1ils s GLU 91 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.19 1ils s GLU 91 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 1ils s GLU 91 CO 0.00 0.31 -0.11 0.21 0.02 0.00 0.00 175.26 175.69 1ils s LYS 92 N -2.97 0.70 0.05 1.61 2.47 -1.26 -3.02 119.74 117.32 1ils s LYS 92 Ca 0.46 -0.89 -0.23 0.00 -1.56 0.00 0.00 55.97 53.75 1ils s LYS 92 Cb -0.11 -0.58 0.05 0.00 -1.46 0.00 0.00 37.83 35.74 1ils s LYS 92 CO 0.24 0.12 0.54 0.34 0.16 0.00 0.00 175.35 176.74 1ils s ASP 93 N -1.74 -0.46 0.18 1.43 2.15 -0.48 -5.01 116.67 112.73 1ils s ASP 93 Ca -0.05 0.20 0.04 0.00 0.43 0.00 0.00 52.55 53.17 1ils s ASP 93 Cb -0.09 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.98 1ils s ASP 93 CO 0.01 -0.73 -0.06 -0.44 -0.17 0.00 0.00 175.17 173.78 1ils s SER 94 N -1.98 1.78 -0.10 -0.34 0.01 -1.26 0.21 113.70 112.02 1ils s SER 94 Ca -0.05 -1.10 -0.07 0.00 1.31 0.00 0.00 55.95 56.04 1ils s SER 94 Cb -0.01 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.26 1ils s SER 94 CO -0.02 -0.41 0.26 0.54 0.41 0.00 0.00 173.24 174.02 1ils s VAL 95 N -3.38 -0.02 -0.11 3.43 0.11 -0.65 -4.81 120.40 114.97 1ils s VAL 95 Ca 0.21 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1ils s VAL 95 Cb 0.04 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1ils s VAL 95 CO 0.04 0.02 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.75 1ils s THR 96 N 0.62 2.53 0.17 5.04 2.01 -1.26 -1.13 115.64 123.61 1ils s THR 96 Ca -0.04 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1ils s THR 96 Cb -0.05 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1ils s THR 96 CO -0.04 0.54 -0.06 0.72 -0.69 0.00 0.00 174.62 175.10 1ils s PHE 97 N 0.35 1.29 0.06 4.92 -0.71 -0.49 -4.96 117.98 118.44 1ils s PHE 97 Ca -0.15 -0.85 -0.19 0.00 -1.04 0.00 0.00 56.93 54.69 1ils s PHE 97 Cb -0.17 -0.70 -0.07 0.00 -1.21 0.00 0.00 43.02 40.87 1ils s PHE 97 CO 0.07 -0.02 0.56 -0.51 -1.34 0.00 0.00 175.22 173.99 1ils s ASP 98 N -3.19 7.04 0.08 1.98 1.01 -1.26 -1.65 116.67 120.67 1ils s ASP 98 Ca 0.20 1.23 0.19 0.00 0.71 0.00 0.00 52.55 54.89 1ils s ASP 98 Cb 0.04 -2.35 0.80 0.00 1.01 0.00 0.00 42.92 42.42 1ils s ASP 98 CO 0.03 0.27 1.61 0.52 0.21 0.00 0.00 175.17 177.80 1ils n VAL 99 N 1.78 0.80 0.45 -1.27 0.31 0.17 -2.42 118.33 118.15 1ils n VAL 99 Ca -0.10 0.18 0.07 0.00 -0.01 0.00 0.00 64.34 64.48 1ils n VAL 99 Cb 0.51 -0.95 0.33 0.00 -0.91 0.00 0.00 33.84 32.82 1ils n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ils n SER 100 N -1.73 0.12 -0.54 4.52 3.41 -1.26 -2.33 113.62 115.80 1ils n SER 100 Ca 0.04 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1ils n SER 100 Cb 0.22 -0.55 0.37 0.00 -0.26 0.00 0.00 64.21 63.98 1ils n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ils n LYS 101 N -1.63 1.71 -4.76 4.33 5.02 -1.02 -4.76 118.16 117.06 1ils n LYS 101 Ca 0.03 -1.07 -0.30 0.00 -2.02 0.00 0.00 58.31 54.94 1ils n LYS 101 Cb 0.17 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.53 2.42 0.25 -0.35 1.43 -0.98 -5.11 118.68 114.80 1ils s LEU 102 Ca 0.32 -0.50 0.12 0.00 -1.03 0.00 0.00 54.13 53.03 1ils s LEU 102 Cb 0.17 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 1ils s LEU 102 CO 0.25 0.26 -0.22 -1.59 0.23 0.00 0.00 176.35 175.28 1ils s LYS 103 N -1.37 1.62 0.20 1.70 -2.85 -1.26 -5.03 119.74 112.75 1ils s LYS 103 Ca 0.13 -1.67 -0.31 0.00 -1.00 0.00 0.00 55.97 53.12 1ils s LYS 103 Cb -0.10 -1.80 -0.11 0.00 -2.06 0.00 0.00 37.83 33.76 1ils s LYS 103 CO 0.04 0.36 1.61 -2.00 0.10 0.00 0.00 175.35 175.46 1ils s GLU 104 N -3.17 4.18 0.00 1.78 2.56 -1.26 -3.50 118.70 119.29 1ils s GLU 104 Ca 0.26 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.69 1ils s GLU 104 Cb -0.06 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.96 1ils s GLU 104 CO 0.13 -0.64 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 1ils n GLY 105 N 3.49 1.02 3.89 -1.50 0.00 -1.26 -5.03 105.19 105.80 1ils n GLY 105 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.20 3.56 -0.21 1.61 2.12 -1.23 -5.09 118.70 119.27 1ils s GLU 106 Ca 0.00 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 1ils s GLU 106 Cb 0.00 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 1ils s GLU 106 CO 0.00 0.63 0.19 -0.65 -0.54 0.00 0.00 175.26 174.89 1ils s GLN 107 N -1.93 4.17 0.08 4.30 1.11 -1.26 -4.88 119.66 121.24 1ils s GLN 107 Ca 0.29 -0.15 0.10 0.00 0.01 0.00 0.00 55.36 55.61 1ils s GLN 107 Cb -0.13 -3.47 -0.03 0.00 -1.01 0.00 0.00 33.01 28.37 1ils s GLN 107 CO 0.18 0.19 -0.26 0.71 0.01 0.00 0.00 175.29 176.12 1ils s TYR 108 N 0.66 2.33 -0.03 0.91 2.02 -1.24 0.26 117.35 122.26 1ils s TYR 108 Ca 0.10 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 1ils s TYR 108 Cb -0.12 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1ils s TYR 108 CO 0.02 0.22 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.41 1ils s MET 109 N -1.59 2.36 0.03 -0.62 -1.94 -0.35 -1.06 119.30 116.13 1ils s MET 109 Ca 0.13 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1ils s MET 109 Cb -0.10 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 1ils s MET 109 CO 0.04 0.60 0.11 -0.59 -0.01 0.00 0.00 175.02 175.17 1ils s PHE 110 N -0.74 3.31 0.26 -0.03 -0.71 0.24 -2.39 117.98 117.93 1ils s PHE 110 Ca 0.12 0.18 -0.22 0.00 -1.04 0.00 0.00 56.93 55.97 1ils s PHE 110 Cb -0.10 -1.71 0.03 0.00 -1.21 0.00 0.00 43.02 40.02 1ils s PHE 110 CO 0.01 0.56 0.75 -0.59 -1.34 0.00 0.00 175.22 174.61 1ils s PHE 111 N -1.32 -0.18 -0.15 3.49 -0.71 -0.42 -1.17 117.98 117.51 1ils s PHE 111 Ca 0.27 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.87 1ils s PHE 111 Cb -0.12 0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1ils s PHE 111 CO 0.19 -1.18 -0.02 0.00 -1.34 0.00 0.00 175.22 172.88 1ils n THR 113 N 3.39 1.86 -2.39 0.00 -2.24 -1.26 -2.84 114.28 110.80 1ils n THR 113 Ca -0.17 -1.07 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 1ils n THR 113 Cb 0.52 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1ils n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ils s PHE 114 N -2.07 3.46 -0.19 4.78 2.19 -1.26 -4.51 117.98 120.37 1ils s PHE 114 Ca 0.45 1.53 -0.39 0.00 0.33 0.00 0.00 56.93 58.84 1ils s PHE 114 Cb 0.31 -3.39 -0.16 0.00 -1.31 0.00 0.00 43.02 38.47 1ils s PHE 114 CO 0.18 -1.00 1.66 -2.30 1.83 0.00 0.00 175.22 175.59 1ils n PRO 115 N 1.91 1.18 0.00 10.12 -0.02 -1.26 -0.47 135.00 146.46 1ils n PRO 115 Ca 0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1ils n PRO 115 Cb 0.45 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.83 3.02 0.17 -1.23 0.00 -1.26 -4.92 105.19 104.79 1ils n GLY 116 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 0.28 -0.90 1.61 3.86 -1.04 -3.28 115.15 115.69 1ils h HIS 117 Ca 0.00 -0.11 0.18 0.00 -1.16 0.00 0.00 60.37 59.28 1ils h HIS 117 Cb 0.00 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.35 1ils h HIS 117 CO 0.00 0.77 0.58 0.66 0.86 0.00 0.00 177.93 180.81 1ils h SER 118 N 0.16 0.53 0.06 2.45 4.64 -1.70 0.52 113.55 120.22 1ils h SER 118 Ca -0.01 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1ils h SER 118 Cb 1.12 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1ils h SER 118 CO 0.09 0.24 -0.04 0.00 -0.87 0.00 0.00 176.83 176.25 1ils h ALA 119 N 1.61 1.74 0.00 5.18 0.00 -1.90 -3.02 119.26 122.88 1ils h ALA 119 Ca 0.47 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1ils h ALA 119 Cb 0.96 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ils h ALA 119 CO -0.21 0.05 -1.71 1.28 0.00 0.00 0.00 179.25 178.67 1ils n LEU 120 N -4.21 0.00 -4.11 0.00 4.77 -0.30 -4.88 117.00 108.27 1ils n LEU 120 Ca -0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.59 1ils n LEU 120 Cb 0.12 0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1ils n LEU 120 CO 0.32 0.13 -0.12 -0.04 -1.33 0.00 0.00 177.39 176.34 1ils s MET 121 N -2.67 2.12 -0.09 3.23 -1.94 0.17 -4.74 119.30 115.37 1ils s MET 121 Ca -0.05 -1.99 -0.31 0.00 -1.71 0.00 0.00 55.69 51.62 1ils s MET 121 Cb 0.07 -3.61 0.12 0.00 2.01 0.00 0.00 34.83 33.41 1ils s MET 121 CO 0.53 -1.10 1.02 -1.59 -0.01 0.00 0.00 175.02 173.88 1ils s LYS 122 N 0.85 0.60 0.17 2.03 0.00 -1.26 -2.28 119.74 119.85 1ils s LYS 122 Ca 0.10 -0.17 -0.23 0.00 0.00 0.00 0.00 55.97 55.67 1ils s LYS 122 Cb -0.22 0.28 0.07 0.00 0.00 0.00 0.00 37.83 37.96 1ils s LYS 122 CO -0.04 -0.25 1.02 0.20 0.00 0.00 0.00 175.35 176.28 1ils s GLY 123 N -2.14 -0.01 0.03 0.59 0.00 -0.32 -4.84 107.32 100.63 1ils s GLY 123 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.61 1ils s GLY 123 CO -0.06 1.52 0.14 -0.51 0.00 0.00 0.00 173.10 174.19 1ils s THR 124 N -2.52 5.05 -0.05 0.90 -4.23 -0.88 -0.59 115.64 113.32 1ils s THR 124 Ca 0.18 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1ils s THR 124 Cb -0.02 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1ils s THR 124 CO 0.04 0.25 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.93 1ils s LEU 125 N -2.12 2.01 -0.05 4.79 0.20 -0.22 -0.84 118.68 122.45 1ils s LEU 125 Ca 0.28 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.70 1ils s LEU 125 Cb -0.12 -1.20 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 1ils s LEU 125 CO 0.20 0.22 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.44 1ils s THR 126 N -0.16 1.31 -0.31 3.68 2.01 0.01 -3.59 115.64 118.60 1ils s THR 126 Ca -0.02 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 1ils s THR 126 Cb -0.12 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 1ils s THR 126 CO 0.02 0.38 0.76 -0.22 -0.69 0.00 0.00 174.62 174.88 1ils s LEU 127 N 0.19 4.10 0.00 4.42 0.20 -1.26 0.23 118.68 126.55 1ils s LEU 127 Ca -0.06 0.62 0.00 0.00 0.69 0.00 0.00 54.13 55.38 1ils s LEU 127 Cb -0.12 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1ils s LEU 127 CO 0.02 -0.59 0.43 2.29 -0.29 0.00 0.00 176.35 178.21