#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilu s GLU 2 N 0.00 4.23 0.00 0.00 -6.30 -1.26 -4.23 118.70 111.14 1ilu s GLU 2 Ca 0.00 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.44 1ilu s GLU 2 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.51 1ilu s GLU 2 CO 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 175.26 174.83 1ilu s SER 4 N -2.83 0.27 -0.01 0.00 0.01 -1.26 -1.61 113.70 108.27 1ilu s SER 4 Ca 0.00 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1ilu s SER 4 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1ilu s SER 4 CO 0.00 -0.37 0.06 0.54 0.41 0.00 0.00 173.24 173.88 1ilu s VAL 5 N -1.96 0.03 -0.16 3.43 0.11 0.20 -0.16 120.40 121.88 1ilu s VAL 5 Ca -0.11 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1ilu s VAL 5 Cb -0.06 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1ilu s VAL 5 CO -0.03 -0.12 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.77 1ilu s ASP 6 N -0.35 4.62 0.04 3.54 1.01 -1.26 -0.55 116.67 123.72 1ilu s ASP 6 Ca -0.04 -0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.06 1ilu s ASP 6 Cb -0.03 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 1ilu s ASP 6 CO 0.00 0.14 -0.11 -0.51 0.21 0.00 0.00 175.17 174.90 1ilu s ILE 7 N 0.55 0.82 0.02 0.77 2.07 -0.16 -4.96 121.20 120.31 1ilu s ILE 7 Ca -0.04 -1.00 0.07 0.00 -1.41 0.00 0.00 60.65 58.28 1ilu s ILE 7 Cb -0.15 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 1ilu s ILE 7 CO 0.03 -0.17 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.57 1ilu s GLN 8 N -1.31 1.54 -0.18 3.50 -0.21 -1.26 -1.27 119.66 120.47 1ilu s GLN 8 Ca -0.03 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.47 1ilu s GLN 8 Cb -0.08 -1.60 0.02 0.00 1.00 0.00 0.00 33.01 32.35 1ilu s GLN 8 CO 0.01 0.42 -0.18 0.20 -2.12 0.00 0.00 175.29 173.62 1ilu s GLY 9 N -0.94 1.37 0.57 3.09 0.00 -0.31 -2.61 107.32 108.50 1ilu s GLY 9 Ca 0.08 -1.22 0.09 0.00 0.00 0.00 0.00 44.72 43.67 1ilu s GLY 9 CO 0.01 0.36 0.75 0.54 0.00 0.00 0.00 173.10 174.75 1ilu s ASN 10 N 1.31 5.04 0.10 1.64 2.20 -0.27 -3.71 114.94 121.24 1ilu s ASN 10 Ca 0.04 -0.91 0.14 0.00 -0.94 0.00 0.00 52.86 51.19 1ilu s ASN 10 Cb -0.14 0.33 0.63 0.00 -2.00 0.00 0.00 41.25 40.08 1ilu s ASN 10 CO -0.12 -1.32 1.44 0.47 -2.94 0.00 0.00 177.10 174.63 1ilu n ASP 11 N -2.19 0.23 -1.60 3.54 9.92 -1.21 -2.12 116.55 123.12 1ilu n ASP 11 Ca 0.14 0.57 -0.09 0.00 -0.53 0.00 0.00 54.79 54.87 1ilu n ASP 11 Cb 0.62 -0.62 0.22 0.00 -0.64 0.00 0.00 41.12 40.70 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ilu n GLN 12 N -1.77 2.37 -3.94 -1.24 3.00 -1.26 -4.94 117.38 109.60 1ilu n GLN 12 Ca 0.02 -3.08 -0.28 0.00 -0.01 0.00 0.00 57.00 53.64 1ilu n GLN 12 Cb 0.13 -2.00 0.01 0.00 0.00 0.00 0.00 30.24 28.38 1ilu n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ilu n MET 13 N -0.92 -0.55 -5.25 -1.09 0.00 -0.90 -4.97 117.12 103.44 1ilu n MET 13 Ca 0.42 -0.19 -0.32 0.00 0.00 0.00 0.00 57.70 57.62 1ilu n MET 13 Cb 1.28 -1.05 -0.16 0.00 0.00 0.00 0.00 33.22 33.29 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ilu s GLN 14 N -6.47 2.57 0.14 3.17 -0.21 -1.26 -4.47 119.66 113.12 1ilu s GLN 14 Ca 0.29 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.71 1ilu s GLN 14 Cb -0.16 -2.18 -0.06 0.00 1.00 0.00 0.00 33.01 31.61 1ilu s GLN 14 CO 0.58 0.39 0.41 -0.06 -2.12 0.00 0.00 175.29 174.48 1ilu s PHE 15 N -0.17 3.49 0.22 0.91 0.08 -1.26 -1.12 117.98 120.13 1ilu s PHE 15 Ca -0.03 0.65 0.35 0.00 0.12 0.00 0.00 56.93 58.01 1ilu s PHE 15 Cb -0.14 -2.07 1.52 0.00 -0.57 0.00 0.00 43.02 41.76 1ilu s PHE 15 CO 0.04 0.43 2.05 -2.95 -0.10 0.00 0.00 175.22 174.68 1ilu h ASN 16 N 2.98 0.00 -5.06 1.36 -1.07 -1.90 -3.45 115.58 108.44 1ilu h ASN 16 Ca -0.47 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 55.75 1ilu h ASN 16 Cb 1.17 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.25 1ilu h ASN 16 CO 0.71 0.02 -0.69 0.28 0.07 0.00 0.00 177.43 177.82 1ilu s THR 17 N -3.78 0.28 0.00 6.14 -1.32 -1.26 -5.05 115.64 110.64 1ilu s THR 17 Ca -0.00 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 1ilu s THR 17 Cb 0.10 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1ilu s THR 17 CO 0.53 -0.82 0.72 0.59 -2.21 0.00 0.00 174.62 173.43 1ilu n ASN 18 N 0.54 1.43 -3.67 8.08 5.03 -1.26 -4.89 115.26 120.52 1ilu n ASN 18 Ca -0.17 -1.44 -0.11 0.00 0.87 0.00 0.00 54.58 53.73 1ilu n ASN 18 Cb 0.59 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.24 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ilu s ALA 19 N -0.44 -0.84 -0.07 5.41 0.00 -1.26 -1.91 121.76 122.66 1ilu s ALA 19 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1ilu s ALA 19 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1ilu s ALA 19 CO 0.00 -0.60 -0.11 0.42 0.00 0.00 0.00 175.76 175.48 1ilu s ILE 20 N 2.26 3.37 -0.13 0.00 1.01 -0.57 -4.98 121.20 122.15 1ilu s ILE 20 Ca -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1ilu s ILE 20 Cb -0.11 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1ilu s ILE 20 CO -0.11 0.59 -0.16 -0.89 0.00 0.00 0.00 174.94 174.37 1ilu s THR 21 N -0.66 2.72 -0.27 2.92 2.01 -1.26 0.02 115.64 121.11 1ilu s THR 21 Ca 0.10 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1ilu s THR 21 Cb -0.11 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1ilu s THR 21 CO 0.01 0.53 0.14 -0.69 -0.69 0.00 0.00 174.62 173.92 1ilu s VAL 22 N 0.52 4.77 -0.09 3.82 1.01 0.42 -4.86 120.40 125.99 1ilu s VAL 22 Ca -0.10 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ilu s VAL 22 Cb -0.16 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1ilu s VAL 22 CO 0.04 0.25 1.13 -0.62 0.00 0.00 0.00 175.10 175.89 1ilu s ASP 23 N 1.67 7.11 0.63 3.32 2.15 -1.26 -0.70 116.67 129.60 1ilu s ASP 23 Ca 0.06 1.68 0.38 0.00 0.43 0.00 0.00 52.55 55.10 1ilu s ASP 23 Cb -0.16 -2.55 2.10 0.00 -0.30 0.00 0.00 42.92 42.01 1ilu s ASP 23 CO 0.07 -0.56 2.29 0.50 -0.17 0.00 0.00 175.17 177.31 1ilu h LYS 24 N 7.39 0.00 0.00 4.34 3.64 -1.35 -1.78 116.57 128.81 1ilu h LYS 24 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1ilu h LYS 24 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1ilu h LYS 24 CO 0.89 0.01 0.00 0.43 -2.27 0.00 0.00 179.45 178.51 1ilu n SER 25 N -3.38 0.00 -4.81 4.20 7.64 -1.26 -4.70 113.62 111.30 1ilu n SER 25 Ca -0.03 -1.09 -0.37 0.00 1.01 0.00 0.00 58.87 58.40 1ilu n SER 25 Cb 0.10 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 1ilu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ilu h LYS 27 N 5.62 0.00 -3.70 0.00 6.56 -1.89 -3.42 116.57 119.74 1ilu h LYS 27 Ca -0.49 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 58.96 1ilu h LYS 27 Cb 1.20 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.66 1ilu h LYS 27 CO 0.66 0.74 -0.55 -0.65 -2.06 0.00 0.00 179.45 177.59 1ilu s GLN 28 N -2.82 0.48 0.04 3.15 1.11 -1.26 -2.22 119.66 118.14 1ilu s GLN 28 Ca 0.02 -0.55 0.08 0.00 0.01 0.00 0.00 55.36 54.92 1ilu s GLN 28 Cb 0.09 0.19 -0.03 0.00 -1.01 0.00 0.00 33.01 32.25 1ilu s GLN 28 CO 0.79 -0.11 -0.23 0.12 0.01 0.00 0.00 175.29 175.87 1ilu s PHE 29 N -1.77 2.02 -0.10 0.91 5.36 -0.54 -4.88 117.98 118.98 1ilu s PHE 29 Ca -0.12 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.49 1ilu s PHE 29 Cb -0.06 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.42 1ilu s PHE 29 CO -0.01 0.10 -0.19 0.99 -1.46 0.00 0.00 175.22 174.66 1ilu s THR 30 N -0.80 1.72 -0.20 0.12 2.01 -0.63 -1.27 115.64 116.59 1ilu s THR 30 Ca 0.09 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 1ilu s THR 30 Cb -0.09 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1ilu s THR 30 CO 0.02 0.48 0.02 -0.69 -0.69 0.00 0.00 174.62 173.76 1ilu s VAL 31 N 0.68 4.14 -0.15 3.82 1.01 -0.46 -0.63 120.40 128.80 1ilu s VAL 31 Ca -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1ilu s VAL 31 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1ilu s VAL 31 CO 0.03 0.42 -0.07 0.20 0.00 0.00 0.00 175.10 175.68 1ilu s ASN 32 N 0.95 4.49 -0.10 3.32 0.01 0.28 -1.50 114.94 122.39 1ilu s ASN 32 Ca 0.02 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 1ilu s ASN 32 Cb -0.14 -1.72 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 1ilu s ASN 32 CO 0.02 0.15 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.40 1ilu s LEU 33 N 0.47 2.71 0.18 0.60 2.96 0.95 -0.99 118.68 125.55 1ilu s LEU 33 Ca -0.06 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1ilu s LEU 33 Cb -0.15 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1ilu s LEU 33 CO 0.03 0.23 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.23 1ilu s SER 34 N -0.06 2.26 -0.37 3.68 1.04 -0.40 -1.18 113.70 118.68 1ilu s SER 34 Ca -0.03 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.42 1ilu s SER 34 Cb -0.14 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.00 1ilu s SER 34 CO 0.04 -0.22 0.14 -2.28 0.98 0.00 0.00 173.24 171.90 1ilu s HIS 35 N -2.99 2.48 0.81 5.02 2.46 -1.14 -1.16 115.29 120.76 1ilu s HIS 35 Ca 0.19 -2.40 -0.11 0.00 0.47 0.00 0.00 55.06 53.21 1ilu s HIS 35 Cb -0.00 -2.20 0.08 0.00 -0.13 0.00 0.00 32.58 30.34 1ilu s HIS 35 CO 0.04 -0.86 1.13 -1.25 -2.47 0.00 0.00 174.74 171.33 1ilu s PRO 36 N 0.90 1.82 0.00 2.88 0.04 -1.24 -1.42 135.00 137.97 1ilu s PRO 36 Ca 0.13 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1ilu s PRO 36 Cb -0.21 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ilu s PRO 36 CO -0.11 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.33 1ilu n GLY 37 N -0.43 -0.72 0.00 0.56 0.00 -1.26 -3.29 105.19 100.05 1ilu n GLY 37 Ca 0.11 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ilu n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ilu n ASN 38 N 0.00 0.47 -4.79 1.61 0.23 -1.26 -4.58 115.26 106.94 1ilu n ASN 38 Ca 0.00 -1.12 -0.37 0.00 -0.53 0.00 0.00 54.58 52.55 1ilu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ilu s LEU 39 N -0.12 4.37 1.13 -4.53 1.43 -1.26 -4.90 118.68 114.80 1ilu s LEU 39 Ca 0.00 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 1ilu s LEU 39 Cb 0.00 -2.49 0.25 0.00 0.03 0.00 0.00 46.19 43.98 1ilu s LEU 39 CO 0.00 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.70 1ilu s PRO 40 N -0.35 -0.66 0.20 1.29 0.04 -1.26 -3.05 135.00 131.22 1ilu s PRO 40 Ca 0.21 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 1ilu s PRO 40 Cb -0.15 -1.62 0.25 0.00 0.04 0.00 0.00 34.50 33.02 1ilu s PRO 40 CO 0.09 -3.43 1.68 -0.22 0.04 0.00 0.00 177.00 175.16 1ilu h LYS 41 N -2.39 0.14 0.00 4.56 3.64 -1.87 -0.87 116.57 119.77 1ilu h LYS 41 Ca -0.53 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1ilu h LYS 41 Cb 1.33 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ilu h LYS 41 CO 0.48 0.09 -0.09 -2.95 -2.27 0.00 0.00 179.45 174.71 1ilu h ASN 42 N 0.14 0.00 0.00 4.20 -1.07 -1.93 0.10 115.58 117.02 1ilu h ASN 42 Ca 0.29 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.63 1ilu h ASN 42 Cb 0.46 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.70 1ilu h ASN 42 CO -0.46 0.09 -1.37 1.33 0.07 0.00 0.00 177.43 177.08 1ilu n VAL 43 N -3.73 0.14 -2.43 6.14 0.24 -1.01 -4.79 118.33 112.89 1ilu n VAL 43 Ca -0.02 -0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.12 1ilu n VAL 43 Cb 0.19 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 32.58 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1ilu n MET 44 N -1.90 0.08 -1.06 7.34 1.56 -0.37 -5.05 117.12 117.73 1ilu n MET 44 Ca -0.04 -2.02 -0.33 0.00 -0.27 0.00 0.00 57.70 55.05 1ilu n MET 44 Cb 0.35 -0.11 0.13 0.00 2.15 0.00 0.00 33.22 35.74 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ilu s GLY 45 N -2.01 2.01 -0.07 -5.12 0.00 0.35 -4.79 107.32 97.69 1ilu s GLY 45 Ca 0.33 0.73 -0.08 0.00 0.00 0.00 0.00 44.72 45.69 1ilu s GLY 45 CO -0.16 1.14 0.21 0.30 0.00 0.00 0.00 173.10 174.60 1ilu s HIS 46 N -2.33 -0.20 0.36 1.90 3.76 -0.32 -4.73 115.29 113.72 1ilu s HIS 46 Ca 0.70 0.46 0.07 0.00 -0.15 0.00 0.00 55.06 56.14 1ilu s HIS 46 Cb -0.26 0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 1ilu s HIS 46 CO 0.52 -0.16 0.24 0.54 -0.85 0.00 0.00 174.74 175.03 1ilu s ASN 47 N -0.19 2.08 -0.09 1.40 4.22 -1.26 -1.11 114.94 119.98 1ilu s ASN 47 Ca -0.03 -1.76 -0.02 0.00 -2.14 0.00 0.00 52.86 48.92 1ilu s ASN 47 Cb -0.03 0.57 0.03 0.00 1.28 0.00 0.00 41.25 43.11 1ilu s ASN 47 CO 0.01 -1.04 0.00 0.86 -2.04 0.00 0.00 177.10 174.89 1ilu s TRP 48 N -3.35 0.75 -0.04 1.54 -0.00 -1.26 -4.31 118.94 112.27 1ilu s TRP 48 Ca 0.35 -0.29 0.07 0.00 -0.00 0.00 0.00 56.10 56.23 1ilu s TRP 48 Cb 0.02 -0.85 -0.01 0.00 -0.00 0.00 0.00 33.47 32.62 1ilu s TRP 48 CO 0.24 -0.38 -0.24 0.08 -0.00 0.00 0.00 176.95 176.65 1ilu s VAL 49 N 1.95 1.96 -0.17 5.86 1.01 -0.01 -1.47 120.40 129.52 1ilu s VAL 49 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1ilu s VAL 49 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1ilu s VAL 49 CO -0.06 0.55 -0.11 -0.22 0.00 0.00 0.00 175.10 175.26 1ilu s LEU 50 N -0.38 2.71 0.30 3.92 2.96 -0.86 -0.96 118.68 126.38 1ilu s LEU 50 Ca 0.03 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ilu s LEU 50 Cb -0.11 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1ilu s LEU 50 CO 0.01 0.08 0.33 -0.94 -1.32 0.00 0.00 176.35 174.51 1ilu s SER 51 N 0.86 1.01 0.67 3.68 1.04 -0.80 -1.15 113.70 119.01 1ilu s SER 51 Ca -0.03 -1.54 -0.14 0.00 0.48 0.00 0.00 55.95 54.72 1ilu s SER 51 Cb -0.15 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ilu s SER 51 CO 0.00 -1.10 1.09 0.42 0.98 0.00 0.00 173.24 174.63 1ilu s THR 52 N -3.50 3.45 0.30 2.02 -4.23 -1.26 -1.70 115.64 110.72 1ilu s THR 52 Ca 0.36 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1ilu s THR 52 Cb 0.02 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 71.00 1ilu s THR 52 CO 0.21 -0.47 1.85 0.00 -0.54 0.00 0.00 174.62 175.67 1ilu h ALA 53 N -0.15 1.59 0.00 3.99 0.00 -1.31 -0.36 119.26 123.01 1ilu h ALA 53 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ilu h ALA 53 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ilu h ALA 53 CO 0.55 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.90 1ilu h ALA 54 N 1.55 1.01 0.00 0.00 0.00 -1.92 -3.17 119.26 116.74 1ilu h ALA 54 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ilu h ALA 54 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ilu h ALA 54 CO -0.25 0.08 -0.62 -0.25 0.00 0.00 0.00 179.25 178.21 1ilu n ASP 55 N -3.18 0.58 -0.04 0.00 8.00 -0.15 -4.58 116.55 117.18 1ilu n ASP 55 Ca 0.01 -0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 1ilu n ASP 55 Cb 0.35 0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 1ilu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ilu h MET 56 N 0.00 -0.42 -0.46 -1.24 1.85 -1.51 -1.76 114.93 111.39 1ilu h MET 56 Ca 0.00 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1ilu h MET 56 Cb 0.61 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 1ilu h MET 56 CO 0.00 -0.28 0.27 0.37 -0.40 0.00 0.00 176.91 176.87 1ilu h GLN 57 N -0.43 0.61 -0.17 0.39 5.75 -1.83 0.51 115.11 119.94 1ilu h GLN 57 Ca 0.10 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1ilu h GLN 57 Cb 0.61 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1ilu h GLN 57 CO -0.45 0.43 0.09 0.78 -2.65 0.00 0.00 178.83 177.04 1ilu h GLY 58 N 0.67 0.26 0.91 2.39 0.00 -1.68 -0.05 103.07 105.58 1ilu h GLY 58 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ilu h GLY 58 CO -0.03 0.12 0.07 -2.08 0.00 0.00 0.00 176.54 174.62 1ilu h VAL 59 N 0.17 1.12 -0.72 4.60 2.07 -0.45 -1.64 116.25 121.40 1ilu h VAL 59 Ca 0.06 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1ilu h VAL 59 Cb 0.09 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1ilu h VAL 59 CO -0.01 0.11 0.40 0.58 0.02 0.00 0.00 177.57 178.67 1ilu h VAL 60 N 0.12 0.94 -0.13 2.57 2.07 -0.74 0.30 116.25 121.38 1ilu h VAL 60 Ca 0.05 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ilu h VAL 60 Cb 0.11 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1ilu h VAL 60 CO -0.01 0.13 -0.01 0.74 0.02 0.00 0.00 177.57 178.44 1ilu h THR 61 N 0.71 1.27 -0.06 2.57 2.02 -0.76 -2.32 112.91 116.34 1ilu h THR 61 Ca 0.33 -0.90 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1ilu h THR 61 Cb 0.25 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1ilu h THR 61 CO -0.21 0.26 -0.52 0.44 0.37 0.00 0.00 175.52 175.86 1ilu h ASP 62 N -0.05 0.17 -0.42 4.18 5.19 -0.94 -2.66 116.42 121.90 1ilu h ASP 62 Ca 0.04 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.25 1ilu h ASP 62 Cb 0.41 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1ilu h ASP 62 CO 0.01 0.66 -0.20 1.23 -3.12 0.00 0.00 179.24 177.82 1ilu h GLY 63 N 1.44 0.94 0.71 2.75 0.00 -0.93 -2.29 103.07 105.69 1ilu h GLY 63 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 47.33 46.55 1ilu h GLY 63 CO 0.08 0.77 0.50 1.98 0.00 0.00 0.00 176.54 179.86 1ilu h MET 64 N 0.69 0.89 0.00 4.80 1.85 -1.22 0.07 114.93 122.00 1ilu h MET 64 Ca 0.09 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1ilu h MET 64 Cb 0.76 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.59 1ilu h MET 64 CO 0.06 0.59 0.00 0.00 -0.40 0.00 0.00 176.91 177.16 1ilu n ALA 65 N -2.35 1.96 0.12 0.39 0.00 -1.02 -3.26 120.51 116.35 1ilu n ALA 65 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ilu n ALA 65 Cb 0.18 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.25 1ilu n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ilu h SER 66 N 0.00 0.00 -4.08 0.00 0.02 -0.40 -3.50 113.55 105.58 1ilu h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ilu h SER 66 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ilu h SER 66 CO 0.00 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 1ilu n GLY 67 N 1.07 -1.92 0.33 -3.77 0.00 -1.16 -4.28 105.19 95.47 1ilu n GLY 67 Ca 0.01 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1ilu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ilu h LEU 68 N 0.00 0.69 -1.33 0.99 5.85 -1.91 -0.40 115.31 119.20 1ilu h LEU 68 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ilu h LEU 68 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1ilu h LEU 68 CO 0.00 0.29 0.00 -0.90 -0.34 0.00 0.00 178.44 177.49 1ilu n ASP 69 N -4.79 0.59 -0.56 1.25 5.68 -1.26 -1.92 116.55 115.55 1ilu n ASP 69 Ca 0.19 0.75 0.06 0.00 -0.50 0.00 0.00 54.79 55.30 1ilu n ASP 69 Cb 0.46 -0.84 0.20 0.00 -1.14 0.00 0.00 41.12 39.81 1ilu n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ilu n LYS 70 N -2.27 1.56 -2.13 0.11 4.76 -0.20 -4.96 118.16 115.04 1ilu n LYS 70 Ca -0.01 -3.22 -0.09 0.00 -2.87 0.00 0.00 58.31 52.12 1ilu n LYS 70 Cb 0.07 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 1ilu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ilu n ASP 71 N -1.16 -3.01 -3.82 4.39 8.00 -0.81 -1.54 116.55 118.61 1ilu n ASP 71 Ca 0.19 0.26 -0.24 0.00 0.71 0.00 0.00 54.79 55.70 1ilu n ASP 71 Cb 0.70 -2.68 0.02 0.00 -0.02 0.00 0.00 41.12 39.13 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ilu n TYR 72 N -2.75 -1.92 -3.88 1.24 4.01 -0.94 -4.53 117.16 108.40 1ilu n TYR 72 Ca -0.11 0.83 -0.11 0.00 -0.16 0.00 0.00 57.90 58.35 1ilu n TYR 72 Cb 0.51 -4.11 -0.12 0.00 -0.31 0.00 0.00 39.34 35.31 1ilu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ilu s LEU 73 N -6.88 1.75 -0.09 7.72 1.43 -0.59 -4.31 118.68 117.71 1ilu s LEU 73 Ca 0.16 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1ilu s LEU 73 Cb -0.08 0.36 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1ilu s LEU 73 CO 0.84 -0.18 1.09 -0.75 0.23 0.00 0.00 176.35 177.58 1ilu s LYS 74 N -0.64 4.39 -0.35 1.70 2.36 -1.26 -4.78 119.74 121.15 1ilu s LYS 74 Ca -0.07 1.51 -0.42 0.00 -2.55 0.00 0.00 55.97 54.43 1ilu s LYS 74 Cb -0.04 -3.55 -0.17 0.00 -1.05 0.00 0.00 37.83 33.02 1ilu s LYS 74 CO 0.00 -0.37 1.69 -2.30 1.55 0.00 0.00 175.35 175.92 1ilu n PRO 75 N 5.10 0.75 -3.84 4.03 -0.02 -1.26 -2.35 135.00 137.40 1ilu n PRO 75 Ca 0.10 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 1ilu n PRO 75 Cb 0.48 -1.90 0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1ilu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ilu n ASP 76 N 4.88 -3.46 -4.64 2.55 8.00 -1.26 -4.92 116.55 117.70 1ilu n ASP 76 Ca 0.28 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 54.28 1ilu n ASP 76 Cb 0.06 -2.96 -0.02 0.00 -0.02 0.00 0.00 41.12 38.18 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ilu s ASP 77 N -3.77 6.68 0.00 -2.24 -1.08 -0.99 -4.90 116.67 110.36 1ilu s ASP 77 Ca 0.33 1.41 0.11 0.00 -0.52 0.00 0.00 52.55 53.88 1ilu s ASP 77 Cb -0.13 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.33 1ilu s ASP 77 CO 0.89 -1.04 1.31 -1.54 0.52 0.00 0.00 175.17 175.31 1ilu n SER 78 N 7.55 0.00 0.16 -0.34 3.41 -1.26 -2.69 113.62 120.45 1ilu n SER 78 Ca 0.15 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1ilu n SER 78 Cb 0.46 -0.37 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 1ilu n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ilu h ARG 79 N 0.00 0.00 -5.64 4.33 3.08 -1.98 -3.45 114.38 110.72 1ilu h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1ilu h ARG 79 Cb 0.14 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.09 1ilu h ARG 79 CO 0.00 0.00 0.29 0.08 -1.07 0.00 0.00 179.97 179.27 1ilu s VAL 80 N -3.23 4.89 -0.07 2.04 1.01 -1.09 -4.48 120.40 119.47 1ilu s VAL 80 Ca 0.05 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.95 1ilu s VAL 80 Cb 0.08 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 1ilu s VAL 80 CO 0.70 -0.11 1.06 0.40 0.00 0.00 0.00 175.10 177.15 1ilu h ILE 81 N 5.49 1.50 -3.59 2.22 5.03 -1.45 -3.49 117.51 123.23 1ilu h ILE 81 Ca -0.25 -1.58 -0.06 0.00 -0.12 0.00 0.00 64.86 62.84 1ilu h ILE 81 Cb 1.11 2.56 -0.12 0.00 -3.03 0.00 0.00 36.82 37.34 1ilu h ILE 81 CO 0.83 0.40 -0.16 0.00 -0.68 0.00 0.00 178.15 178.55 1ilu s ALA 82 N -3.48 -0.50 -0.21 1.87 0.00 -1.24 -5.03 121.76 113.16 1ilu s ALA 82 Ca -0.17 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 1ilu s ALA 82 Cb -0.00 0.80 0.15 0.00 0.00 0.00 0.00 23.12 24.07 1ilu s ALA 82 CO 0.67 -0.70 1.19 -3.38 0.00 0.00 0.00 175.76 173.54 1ilu s HIS 83 N -3.90 -0.17 0.72 0.00 -3.43 -1.26 -2.02 115.29 105.22 1ilu s HIS 83 Ca 0.11 0.23 -0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1ilu s HIS 83 Cb 0.02 0.49 0.13 0.00 -1.43 0.00 0.00 32.58 31.79 1ilu s HIS 83 CO -0.04 -0.20 0.99 0.95 -2.00 0.00 0.00 174.74 174.45 1ilu s THR 84 N -1.59 2.11 0.86 -5.38 -4.23 -0.54 -4.84 115.64 102.02 1ilu s THR 84 Ca 0.06 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.85 1ilu s THR 84 Cb -0.01 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.49 1ilu s THR 84 CO -0.04 0.00 1.19 -0.54 -0.54 0.00 0.00 174.62 174.69 1ilu s LYS 85 N -5.13 1.16 -0.21 3.99 -0.14 -1.26 -4.58 119.74 113.56 1ilu s LYS 85 Ca 0.66 -0.56 -0.19 0.00 -1.36 0.00 0.00 55.97 54.53 1ilu s LYS 85 Cb -0.05 -2.02 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1ilu s LYS 85 CO 0.44 -1.99 0.55 -1.17 -0.76 0.00 0.00 175.35 172.42 1ilu s LEU 86 N -5.60 4.13 0.26 3.17 2.96 -1.26 -4.28 118.68 118.05 1ilu s LEU 86 Ca 0.70 0.69 0.10 0.00 -0.22 0.00 0.00 54.13 55.40 1ilu s LEU 86 Cb -0.05 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1ilu s LEU 86 CO 0.50 -0.22 -0.07 0.27 -1.32 0.00 0.00 176.35 175.50 1ilu s ILE 87 N 1.83 3.16 0.39 6.68 -4.36 -0.27 -4.88 121.20 123.74 1ilu s ILE 87 Ca 0.25 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1ilu s ILE 87 Cb -0.16 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 40.91 1ilu s ILE 87 CO 0.10 -0.36 0.21 0.61 0.24 0.00 0.00 174.94 175.74 1ilu n GLY 88 N -0.74 3.08 3.78 6.27 0.00 -1.26 -1.18 105.19 115.14 1ilu n GLY 88 Ca -0.06 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 1ilu n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ilu s SER 89 N -3.25 6.32 0.00 1.61 0.01 -1.17 -2.25 113.70 114.97 1ilu s SER 89 Ca 0.16 3.07 0.00 0.00 1.31 0.00 0.00 55.95 60.49 1ilu s SER 89 Cb -0.01 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1ilu s SER 89 CO 0.10 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1ilu n GLY 90 N 0.44 1.81 3.96 3.44 0.00 -0.51 -4.97 105.19 109.36 1ilu n GLY 90 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1ilu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilu s GLU 91 N -0.07 2.50 -0.03 1.61 2.02 -0.95 -4.94 118.70 118.84 1ilu s GLU 91 Ca 0.00 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.24 1ilu s GLU 91 Cb 0.00 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.84 1ilu s GLU 91 CO 0.00 -0.81 0.28 0.21 0.02 0.00 0.00 175.26 174.96 1ilu s LYS 92 N -4.87 0.57 0.04 1.61 2.47 -1.26 -2.88 119.74 115.42 1ilu s LYS 92 Ca 0.57 -0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.76 1ilu s LYS 92 Cb -0.10 0.25 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1ilu s LYS 92 CO 0.40 -0.14 0.26 0.34 0.16 0.00 0.00 175.35 176.37 1ilu s ASP 93 N -1.03 -0.07 0.14 1.43 2.15 -0.32 -4.98 116.67 113.99 1ilu s ASP 93 Ca -0.11 -0.24 0.07 0.00 0.43 0.00 0.00 52.55 52.70 1ilu s ASP 93 Cb -0.05 0.33 -0.04 0.00 -0.30 0.00 0.00 42.92 42.86 1ilu s ASP 93 CO 0.03 -0.58 -0.15 -0.44 -0.17 0.00 0.00 175.17 173.86 1ilu s SER 94 N -2.02 2.24 0.02 -0.34 0.01 -1.26 -0.04 113.70 112.32 1ilu s SER 94 Ca -0.06 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1ilu s SER 94 Cb -0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 1ilu s SER 94 CO -0.03 -0.11 -0.08 0.54 0.41 0.00 0.00 173.24 173.98 1ilu s VAL 95 N -2.14 0.56 -0.03 3.43 0.11 -0.56 -4.93 120.40 116.84 1ilu s VAL 95 Ca 0.12 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 1ilu s VAL 95 Cb -0.05 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1ilu s VAL 95 CO 0.04 -0.12 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.58 1ilu s THR 96 N -0.78 1.76 0.04 5.04 2.01 -1.26 -1.35 115.64 121.10 1ilu s THR 96 Ca -0.03 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1ilu s THR 96 Cb -0.06 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1ilu s THR 96 CO 0.00 0.50 0.03 0.72 -0.69 0.00 0.00 174.62 175.18 1ilu s PHE 97 N -0.33 0.31 -0.11 4.92 -0.71 -0.39 -4.96 117.98 116.70 1ilu s PHE 97 Ca 0.03 -0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 54.95 1ilu s PHE 97 Cb -0.10 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.47 1ilu s PHE 97 CO 0.01 -0.34 1.02 -0.51 -1.34 0.00 0.00 175.22 174.06 1ilu s ASP 98 N -2.24 7.23 0.56 1.98 1.01 -1.26 -1.46 116.67 122.48 1ilu s ASP 98 Ca -0.04 1.53 0.37 0.00 0.71 0.00 0.00 52.55 55.13 1ilu s ASP 98 Cb -0.00 -2.56 2.00 0.00 1.01 0.00 0.00 42.92 43.37 1ilu s ASP 98 CO -0.06 -0.47 2.14 0.58 0.21 0.00 0.00 175.17 177.58 1ilu h VAL 99 N 5.12 0.00 0.00 -1.27 2.07 -1.70 -1.54 116.25 118.92 1ilu h VAL 99 Ca -0.30 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1ilu h VAL 99 Cb 1.14 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1ilu h VAL 99 CO 0.86 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 179.17 1ilu h SER 100 N 0.00 0.00 0.60 0.57 4.64 -1.89 -1.94 113.55 115.52 1ilu h SER 100 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ilu h SER 100 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ilu h SER 100 CO 0.00 0.06 -0.01 0.11 -0.87 0.00 0.00 176.83 176.12 1ilu h LYS 101 N 0.00 0.00 -5.16 4.77 1.57 -1.68 -3.42 116.57 112.65 1ilu h LYS 101 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1ilu h LYS 101 Cb 0.30 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.45 1ilu h LYS 101 CO 0.01 0.01 -0.55 -0.51 -0.57 0.00 0.00 179.45 177.84 1ilu s LEU 102 N -6.25 3.89 0.21 2.94 1.43 -0.73 -5.07 118.68 115.10 1ilu s LEU 102 Ca -0.01 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1ilu s LEU 102 Cb 0.11 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 1ilu s LEU 102 CO 0.50 0.10 0.51 -0.75 0.23 0.00 0.00 176.35 176.94 1ilu s LYS 103 N 0.81 3.76 0.47 1.70 2.20 -1.26 -5.06 119.74 122.36 1ilu s LYS 103 Ca 0.05 0.19 -0.20 0.00 -0.36 0.00 0.00 55.97 55.65 1ilu s LYS 103 Cb -0.13 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.40 1ilu s LYS 103 CO 0.02 0.36 0.99 -2.00 -0.36 0.00 0.00 175.35 174.36 1ilu s GLU 104 N -2.77 3.98 -1.12 4.03 2.56 -1.26 -4.22 118.70 119.90 1ilu s GLU 104 Ca 0.46 1.18 -0.07 0.00 0.00 0.00 0.00 54.97 56.54 1ilu s GLU 104 Cb -0.11 -2.13 0.01 0.00 2.00 0.00 0.00 34.13 33.89 1ilu s GLU 104 CO 0.22 -0.25 0.90 0.41 -0.56 0.00 0.00 175.26 175.98 1ilu n GLY 105 N -0.67 -0.27 3.45 -1.50 0.00 -1.26 -5.00 105.19 99.95 1ilu n GLY 105 Ca 0.08 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1ilu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilu s GLU 106 N -5.99 0.97 -0.03 1.61 2.12 -1.26 -5.18 118.70 110.94 1ilu s GLU 106 Ca 0.45 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.95 1ilu s GLU 106 Cb -0.20 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1ilu s GLU 106 CO 0.55 -0.29 -0.00 -0.65 -0.54 0.00 0.00 175.26 174.33 1ilu s GLN 107 N -1.20 2.84 0.17 4.30 -1.52 -1.26 -4.94 119.66 118.04 1ilu s GLN 107 Ca -0.11 -0.55 0.10 0.00 -1.95 0.00 0.00 55.36 52.84 1ilu s GLN 107 Cb -0.01 -2.70 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 1ilu s GLN 107 CO 0.09 0.65 -0.22 0.71 -0.25 0.00 0.00 175.29 176.27 1ilu s TYR 108 N -1.01 2.06 -0.00 0.91 2.02 -1.26 -0.95 117.35 119.12 1ilu s TYR 108 Ca 0.17 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1ilu s TYR 108 Cb -0.11 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1ilu s TYR 108 CO 0.07 0.39 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.71 1ilu s MET 109 N -2.59 0.78 0.01 -0.62 -1.94 -0.69 -2.66 119.30 111.60 1ilu s MET 109 Ca 0.17 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 53.83 1ilu s MET 109 Cb -0.07 -0.75 -0.03 0.00 2.01 0.00 0.00 34.83 35.99 1ilu s MET 109 CO 0.08 0.20 -0.20 -1.54 -0.01 0.00 0.00 175.02 173.55 1ilu s SER 110 N -0.35 3.59 0.25 3.03 1.04 -0.17 -1.90 113.70 119.18 1ilu s SER 110 Ca 0.03 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 55.82 1ilu s SER 110 Cb -0.04 -0.55 0.04 0.00 0.10 0.00 0.00 66.02 65.57 1ilu s SER 110 CO -0.00 0.29 0.81 0.72 0.98 0.00 0.00 173.24 176.04 1ilu s PHE 111 N -0.80 -0.14 -0.16 5.02 -0.12 -0.13 -1.15 117.98 120.51 1ilu s PHE 111 Ca 0.13 -0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 1ilu s PHE 111 Cb -0.10 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 1ilu s PHE 111 CO 0.02 -1.13 0.07 0.00 -0.05 0.00 0.00 175.22 174.14 1ilu n THR 113 N 2.99 0.96 -1.95 0.00 -2.24 -1.26 -3.16 114.28 109.62 1ilu n THR 113 Ca -0.18 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.20 1ilu n THR 113 Cb 0.53 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 1ilu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ilu s PHE 114 N -1.04 2.63 0.13 4.78 5.36 -1.26 -4.53 117.98 124.05 1ilu s PHE 114 Ca 0.48 0.44 -0.31 0.00 -0.96 0.00 0.00 56.93 56.59 1ilu s PHE 114 Cb 0.25 -3.93 -0.11 0.00 -0.34 0.00 0.00 43.02 38.90 1ilu s PHE 114 CO 0.33 -3.63 1.84 -1.25 -1.46 0.00 0.00 175.22 171.06 1ilu s PRO 115 N 2.19 4.13 0.00 10.12 0.04 -1.26 -0.84 135.00 149.38 1ilu s PRO 115 Ca 0.72 2.62 0.00 0.00 0.04 0.00 0.00 61.00 64.38 1ilu s PRO 115 Cb -0.40 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1ilu s PRO 115 CO 0.32 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1ilu n GLY 116 N 4.25 3.35 0.13 0.56 0.00 -1.26 -4.94 105.19 107.28 1ilu n GLY 116 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1ilu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ilu h HIS 117 N 0.00 0.71 -1.03 1.61 3.86 -1.27 -3.37 115.15 115.66 1ilu h HIS 117 Ca 0.00 -0.52 0.28 0.00 -1.16 0.00 0.00 60.37 58.97 1ilu h HIS 117 Cb 0.00 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.37 1ilu h HIS 117 CO 0.00 1.44 0.70 0.66 0.86 0.00 0.00 177.93 181.60 1ilu h SER 118 N 0.11 0.23 0.19 2.45 4.64 -1.69 0.25 113.55 119.72 1ilu h SER 118 Ca -0.21 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1ilu h SER 118 Cb 2.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.16 1ilu h SER 118 CO 0.23 0.06 -0.17 0.00 -0.87 0.00 0.00 176.83 176.07 1ilu h ALA 119 N 1.55 1.66 0.00 5.18 0.00 -1.91 -3.31 119.26 122.43 1ilu h ALA 119 Ca 0.54 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1ilu h ALA 119 Cb 1.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1ilu h ALA 119 CO -0.15 0.21 -1.57 1.28 0.00 0.00 0.00 179.25 179.02 1ilu n LEU 120 N -4.25 1.90 -4.36 0.00 4.77 -0.16 -4.81 117.00 110.09 1ilu n LEU 120 Ca -0.02 -0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.48 1ilu n LEU 120 Cb 0.24 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ilu n LEU 120 CO 0.36 0.50 1.17 0.23 -1.33 0.00 0.00 177.39 178.31 1ilu n MET 121 N -2.62 3.51 -3.61 3.23 2.81 0.69 -4.84 117.12 116.30 1ilu n MET 121 Ca -0.16 -4.12 -0.12 0.00 -1.81 0.00 0.00 57.70 51.49 1ilu n MET 121 Cb 0.72 -2.81 -0.05 0.00 -0.71 0.00 0.00 33.22 30.37 1ilu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1ilu s LYS 122 N 0.10 1.03 0.09 0.03 0.00 -1.26 -1.75 119.74 117.99 1ilu s LYS 122 Ca 0.37 -0.49 -0.26 0.00 0.00 0.00 0.00 55.97 55.59 1ilu s LYS 122 Cb -0.05 0.46 0.09 0.00 0.00 0.00 0.00 37.83 38.33 1ilu s LYS 122 CO -0.03 -0.39 1.12 0.20 0.00 0.00 0.00 175.35 176.25 1ilu s GLY 123 N -2.39 -0.16 0.33 0.59 0.00 -0.30 -4.82 107.32 100.57 1ilu s GLY 123 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.79 1ilu s GLY 123 CO -0.07 1.54 0.59 -0.51 0.00 0.00 0.00 173.10 174.65 1ilu s THR 124 N -2.54 5.02 -0.31 0.90 -4.23 -0.80 -1.00 115.64 112.68 1ilu s THR 124 Ca 0.18 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 1ilu s THR 124 Cb 0.00 -3.78 0.09 0.00 1.34 0.00 0.00 72.50 70.15 1ilu s THR 124 CO 0.01 -0.45 0.03 -0.22 -0.54 0.00 0.00 174.62 173.45 1ilu s LEU 125 N -3.87 3.62 0.44 4.79 0.20 -1.09 -1.51 118.68 121.27 1ilu s LEU 125 Ca 0.44 -1.78 -0.21 0.00 0.69 0.00 0.00 54.13 53.26 1ilu s LEU 125 Cb -0.10 -1.35 -0.10 0.00 -0.43 0.00 0.00 46.19 44.21 1ilu s LEU 125 CO 0.33 -0.34 1.00 -0.89 -0.29 0.00 0.00 176.35 176.16 1ilu s THR 126 N 1.19 4.03 -0.13 3.68 2.01 0.10 -4.44 115.64 122.07 1ilu s THR 126 Ca 0.06 1.33 -0.00 0.00 0.31 0.00 0.00 61.69 63.38 1ilu s THR 126 Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1ilu s THR 126 CO -0.12 -0.21 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.27 1ilu s LEU 127 N -3.17 1.47 0.00 4.42 1.98 -1.26 -0.44 118.68 121.69 1ilu s LEU 127 Ca 0.63 -0.42 0.00 0.00 -2.89 0.00 0.00 54.13 51.45 1ilu s LEU 127 Cb -0.14 -1.02 0.00 0.00 0.66 0.00 0.00 46.19 45.69 1ilu s LEU 127 CO 0.19 -0.09 0.34 2.29 -1.89 0.00 0.00 176.35 177.19