#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 4.36 -1.45 0.00 2.12 -1.26 -3.75 118.70 118.72 1ilu s GLU 2 Ca 0.00 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.02 1ilu s GLU 2 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1ilu s GLU 2 CO 0.00 -0.42 0.00 0.00 -0.54 0.00 0.00 175.26 174.30 1ilu s SER 4 N -2.18 -0.65 0.16 0.00 1.04 -1.25 -1.68 113.70 109.15 1ilu s SER 4 Ca 0.00 0.74 0.10 0.00 0.48 0.00 0.00 55.95 57.27 1ilu s SER 4 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1ilu s SER 4 CO 0.00 -0.58 -0.21 0.54 0.98 0.00 0.00 173.24 173.97 1ilu s VAL 5 N -1.09 2.01 -0.10 5.02 0.11 -0.46 -0.11 120.40 125.78 1ilu s VAL 5 Ca -0.10 -1.90 0.03 0.00 -2.93 0.00 0.00 61.98 57.08 1ilu s VAL 5 Cb -0.01 -1.91 -0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1ilu s VAL 5 CO 0.09 -0.19 -0.23 -1.81 -3.33 0.00 0.00 175.10 169.63 1ilu s ASP 6 N -2.53 3.21 -0.01 3.54 1.01 -1.26 -1.91 116.67 118.71 1ilu s ASP 6 Ca 0.16 -0.53 -0.00 0.00 0.71 0.00 0.00 52.55 52.89 1ilu s ASP 6 Cb -0.07 -1.44 0.01 0.00 1.01 0.00 0.00 42.92 42.43 1ilu s ASP 6 CO 0.07 0.16 0.02 -0.51 0.21 0.00 0.00 175.17 175.12 1ilu s ILE 7 N 0.35 -0.02 -0.16 0.77 2.07 0.03 -4.95 121.20 119.29 1ilu s ILE 7 Ca -0.18 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.08 1ilu s ILE 7 Cb -0.18 -0.04 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 1ilu s ILE 7 CO 0.08 0.02 -0.02 -1.10 -1.91 0.00 0.00 174.94 172.02 1ilu s GLN 8 N 0.30 3.74 -0.24 3.50 -0.21 -1.26 -2.09 119.66 123.40 1ilu s GLN 8 Ca -0.02 -0.48 -0.07 0.00 0.02 0.00 0.00 55.36 54.80 1ilu s GLN 8 Cb -0.04 -2.98 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 1ilu s GLN 8 CO -0.01 0.25 0.07 0.20 -2.12 0.00 0.00 175.29 173.68 1ilu s GLY 9 N 0.35 1.79 0.34 3.09 0.00 -0.51 -0.55 107.32 111.82 1ilu s GLY 9 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1ilu s GLY 9 CO 0.02 0.46 0.10 1.16 0.00 0.00 0.00 173.10 174.85 1ilu n ASN 10 N 4.72 2.61 0.00 1.64 0.23 0.50 -3.76 115.26 121.20 1ilu n ASN 10 Ca -0.16 -2.35 0.10 0.00 -0.53 0.00 0.00 54.58 51.64 1ilu n ASN 10 Cb 0.52 0.13 0.44 0.00 -2.08 0.00 0.00 39.78 38.79 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ilu n ASP 11 N -1.47 0.00 -1.22 0.53 8.00 -1.25 -2.69 116.55 118.45 1ilu n ASP 11 Ca -0.09 0.46 0.05 0.00 0.71 0.00 0.00 54.79 55.92 1ilu n ASP 11 Cb 0.41 -0.49 0.23 0.00 -0.02 0.00 0.00 41.12 41.25 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ilu n GLN 12 N -1.49 3.05 -3.53 -1.24 3.00 -1.26 -4.87 117.38 111.03 1ilu n GLN 12 Ca 0.05 -1.81 -0.19 0.00 -0.01 0.00 0.00 57.00 55.04 1ilu n GLN 12 Cb 0.24 -1.83 0.06 0.00 0.00 0.00 0.00 30.24 28.71 1ilu n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1ilu n MET 13 N 0.46 -5.39 -4.31 -1.09 0.00 -1.10 -5.02 117.12 100.67 1ilu n MET 13 Ca 0.16 0.74 -0.18 0.00 -0.00 0.00 0.00 57.70 58.42 1ilu n MET 13 Cb 0.72 -5.53 -0.14 0.00 0.00 0.00 0.00 33.22 28.28 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 -5.55 0.76 0.20 2.12 -1.52 -1.25 -4.53 119.66 109.88 1ilu s GLN 14 Ca 0.05 -0.54 -0.01 0.00 -1.95 0.00 0.00 55.36 52.91 1ilu s GLN 14 Cb -0.01 -0.72 -0.04 0.00 -0.22 0.00 0.00 33.01 32.02 1ilu s GLN 14 CO 0.77 0.18 0.39 -0.06 -0.25 0.00 0.00 175.29 176.32 1ilu s PHE 15 N -0.61 3.48 -0.72 0.91 0.08 -1.26 -0.37 117.98 119.50 1ilu s PHE 15 Ca 0.01 0.35 0.26 0.00 0.12 0.00 0.00 56.93 57.67 1ilu s PHE 15 Cb -0.06 -1.86 0.71 0.00 -0.57 0.00 0.00 43.02 41.24 1ilu s PHE 15 CO 0.00 0.39 1.67 0.27 -0.10 0.00 0.00 175.22 177.45 1ilu n ASN 16 N -0.60 0.77 -3.84 1.36 6.94 0.29 -4.78 115.26 115.40 1ilu n ASN 16 Ca -0.05 0.47 -0.12 0.00 -0.02 0.00 0.00 54.58 54.86 1ilu n ASN 16 Cb 0.54 -0.57 -0.14 0.00 -2.36 0.00 0.00 39.78 37.25 1ilu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ilu s THR 17 N -3.11 -0.01 -0.27 5.53 -1.32 -1.26 -5.01 115.64 110.19 1ilu s THR 17 Ca 0.10 0.02 0.16 0.00 -1.21 0.00 0.00 61.69 60.76 1ilu s THR 17 Cb 0.13 -0.09 0.49 0.00 -1.51 0.00 0.00 72.50 71.52 1ilu s THR 17 CO 0.62 0.01 1.14 -0.46 -2.21 0.00 0.00 174.62 173.73 1ilu n ASN 18 N 3.16 2.92 -3.66 8.08 0.23 -1.26 -4.94 115.26 119.78 1ilu n ASN 18 Ca -0.14 -2.73 -0.07 0.00 -0.53 0.00 0.00 54.58 51.11 1ilu n ASN 18 Cb 0.59 -0.42 -0.09 0.00 -2.08 0.00 0.00 39.78 37.78 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ilu s ALA 19 N -3.68 -1.33 0.00 -2.53 0.00 -1.26 -2.42 121.76 110.53 1ilu s ALA 19 Ca 0.37 1.70 0.06 0.00 0.00 0.00 0.00 51.96 54.08 1ilu s ALA 19 Cb 0.36 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1ilu s ALA 19 CO -0.01 -0.71 -0.17 0.42 0.00 0.00 0.00 175.76 175.28 1ilu s ILE 20 N 2.48 1.37 -0.12 0.00 1.01 0.93 -4.92 121.20 121.96 1ilu s ILE 20 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1ilu s ILE 20 Cb -0.11 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 1ilu s ILE 20 CO -0.14 0.32 -0.20 -0.89 0.00 0.00 0.00 174.94 174.03 1ilu s THR 21 N -0.50 2.43 -0.22 2.92 2.01 -1.26 -1.47 115.64 119.56 1ilu s THR 21 Ca 0.06 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1ilu s THR 21 Cb -0.07 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1ilu s THR 21 CO -0.00 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 1ilu s VAL 22 N 0.41 3.74 -0.25 3.82 1.01 0.17 -4.93 120.40 124.37 1ilu s VAL 22 Ca -0.15 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1ilu s VAL 22 Cb -0.17 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1ilu s VAL 22 CO 0.07 0.41 1.24 -0.62 0.00 0.00 0.00 175.10 176.19 1ilu s ASP 23 N 1.31 6.83 0.65 3.32 2.15 -1.26 -0.49 116.67 129.18 1ilu s ASP 23 Ca 0.04 1.36 0.33 0.00 0.43 0.00 0.00 52.55 54.71 1ilu s ASP 23 Cb -0.15 -2.54 1.82 0.00 -0.30 0.00 0.00 42.92 41.75 1ilu s ASP 23 CO 0.00 -0.91 2.05 0.11 -0.17 0.00 0.00 175.17 176.25 1ilu h LYS 24 N 8.62 0.00 0.00 4.34 1.57 -1.49 -1.16 116.57 128.45 1ilu h LYS 24 Ca -0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1ilu h LYS 24 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ilu h LYS 24 CO 1.01 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 180.65 1ilu h SER 25 N 0.00 0.00 -3.78 0.86 0.02 -1.91 -3.42 113.55 105.32 1ilu h SER 25 Ca 0.03 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.47 1ilu h SER 25 Cb 0.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 1ilu h SER 25 CO -0.00 0.01 0.47 0.00 -1.14 0.00 0.00 176.83 176.17 1ilu n LYS 27 N 1.32 0.63 -4.22 0.00 5.02 -1.26 -4.73 118.16 114.91 1ilu n LYS 27 Ca -0.01 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 1ilu n LYS 27 Cb 0.45 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1ilu n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ilu s GLN 28 N -3.22 0.68 0.01 1.97 -1.52 -1.26 -1.98 119.66 114.34 1ilu s GLN 28 Ca -0.04 -0.60 0.07 0.00 -1.95 0.00 0.00 55.36 52.84 1ilu s GLN 28 Cb 0.10 -0.61 -0.02 0.00 -0.22 0.00 0.00 33.01 32.26 1ilu s GLN 28 CO 0.83 0.15 -0.20 0.12 -0.25 0.00 0.00 175.29 175.94 1ilu s PHE 29 N -0.80 1.77 -0.02 0.91 5.36 -0.56 -4.90 117.98 119.74 1ilu s PHE 29 Ca -0.02 -0.35 0.08 0.00 -0.96 0.00 0.00 56.93 55.68 1ilu s PHE 29 Cb -0.07 -1.10 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1ilu s PHE 29 CO 0.01 0.02 -0.26 0.99 -1.46 0.00 0.00 175.22 174.52 1ilu s THR 30 N -0.61 2.06 -0.07 0.12 2.01 -0.68 -1.94 115.64 116.53 1ilu s THR 30 Ca 0.07 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1ilu s THR 30 Cb -0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1ilu s THR 30 CO 0.00 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.69 1ilu s VAL 31 N -0.58 3.09 -0.15 3.82 1.01 -0.29 -1.35 120.40 125.94 1ilu s VAL 31 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1ilu s VAL 31 Cb -0.10 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1ilu s VAL 31 CO -0.01 0.58 -0.11 0.20 0.00 0.00 0.00 175.10 175.76 1ilu s ASN 32 N -0.47 2.73 -0.10 3.32 0.01 -0.81 -1.91 114.94 117.72 1ilu s ASN 32 Ca 0.06 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1ilu s ASN 32 Cb -0.12 -1.09 -0.02 0.00 0.41 0.00 0.00 41.25 40.43 1ilu s ASN 32 CO 0.02 -0.10 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.17 1ilu s LEU 33 N 1.53 2.79 0.11 0.60 2.96 -0.30 -0.79 118.68 125.59 1ilu s LEU 33 Ca 0.03 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1ilu s LEU 33 Cb -0.14 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1ilu s LEU 33 CO -0.09 0.24 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.10 1ilu s SER 34 N -0.11 1.90 -0.33 3.68 1.04 -0.89 -2.02 113.70 116.97 1ilu s SER 34 Ca -0.01 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1ilu s SER 34 Cb -0.14 -0.06 0.10 0.00 0.10 0.00 0.00 66.02 66.03 1ilu s SER 34 CO 0.03 -0.15 0.05 -2.28 0.98 0.00 0.00 173.24 171.88 1ilu s HIS 35 N -2.09 3.35 0.68 5.02 2.46 -1.13 -1.43 115.29 122.16 1ilu s HIS 35 Ca 0.07 -2.74 -0.14 0.00 0.47 0.00 0.00 55.06 52.73 1ilu s HIS 35 Cb -0.05 -2.66 0.01 0.00 -0.13 0.00 0.00 32.58 29.74 1ilu s HIS 35 CO 0.03 -0.93 1.09 -1.25 -2.47 0.00 0.00 174.74 171.20 1ilu s PRO 36 N 1.05 2.79 0.00 2.88 0.04 -1.25 -0.95 135.00 139.56 1ilu s PRO 36 Ca 0.10 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1ilu s PRO 36 Cb -0.19 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ilu s PRO 36 CO -0.11 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1ilu n GLY 37 N -0.97 -0.38 0.00 0.56 0.00 -1.26 -3.85 105.19 99.30 1ilu n GLY 37 Ca 0.09 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ilu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ilu n ASN 38 N 0.00 0.67 -4.79 1.61 4.13 -1.26 -4.55 115.26 111.06 1ilu n ASN 38 Ca 0.00 -1.29 -0.38 0.00 1.68 0.00 0.00 54.58 54.58 1ilu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ilu s LEU 39 N -0.29 4.45 0.92 3.41 1.43 -1.26 -4.95 118.68 122.39 1ilu s LEU 39 Ca 0.00 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 1ilu s LEU 39 Cb 0.00 -2.79 0.15 0.00 0.03 0.00 0.00 46.19 43.58 1ilu s LEU 39 CO 0.00 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 1ilu s PRO 40 N -0.65 1.02 0.37 1.29 0.04 -1.26 -3.13 135.00 132.69 1ilu s PRO 40 Ca 0.28 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.45 1ilu s PRO 40 Cb -0.18 -1.76 0.81 0.00 0.04 0.00 0.00 34.50 33.41 1ilu s PRO 40 CO 0.16 -2.47 1.94 -0.22 0.04 0.00 0.00 177.00 176.45 1ilu h LYS 41 N -1.73 0.66 0.00 4.56 3.64 -1.85 0.18 116.57 122.03 1ilu h LYS 41 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1ilu h LYS 41 Cb 1.28 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1ilu h LYS 41 CO 0.50 0.44 -0.01 -2.95 -2.27 0.00 0.00 179.45 175.16 1ilu h ASN 42 N 0.68 0.00 0.00 4.20 -1.07 -1.95 0.17 115.58 117.61 1ilu h ASN 42 Ca 0.34 -0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.55 1ilu h ASN 42 Cb 0.41 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.64 1ilu h ASN 42 CO -0.12 0.00 -1.23 0.52 0.07 0.00 0.00 177.43 176.67 1ilu n VAL 43 N -2.30 1.49 -2.97 6.14 0.31 -0.32 -4.83 118.33 115.85 1ilu n VAL 43 Ca 0.05 0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.21 1ilu n VAL 43 Cb 0.44 -2.20 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ilu n MET 44 N -4.46 1.79 -2.68 5.55 0.00 0.48 -5.01 117.12 112.79 1ilu n MET 44 Ca -0.24 -3.83 -0.40 0.00 -0.00 0.00 0.00 57.70 53.22 1ilu n MET 44 Cb 0.55 -1.81 -0.05 0.00 0.00 0.00 0.00 33.22 31.91 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ilu s GLY 45 N -2.92 3.07 0.11 -5.12 0.00 0.60 -4.73 107.32 98.32 1ilu s GLY 45 Ca 0.41 0.67 0.08 0.00 0.00 0.00 0.00 44.72 45.88 1ilu s GLY 45 CO -0.08 1.33 -0.21 0.30 0.00 0.00 0.00 173.10 174.43 1ilu s HIS 46 N -0.87 1.82 0.11 1.90 3.76 -0.52 -4.72 115.29 116.77 1ilu s HIS 46 Ca 0.43 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1ilu s HIS 46 Cb -0.27 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.40 1ilu s HIS 46 CO 0.33 0.22 0.10 0.54 -0.85 0.00 0.00 174.74 175.08 1ilu s ASN 47 N -1.95 0.27 -0.15 1.40 4.22 -1.26 -0.88 114.94 116.59 1ilu s ASN 47 Ca 0.07 -1.00 0.01 0.00 -2.14 0.00 0.00 52.86 49.80 1ilu s ASN 47 Cb -0.10 0.31 0.02 0.00 1.28 0.00 0.00 41.25 42.76 1ilu s ASN 47 CO 0.04 -0.73 -0.16 0.86 -2.04 0.00 0.00 177.10 175.08 1ilu s TRP 48 N -3.97 2.28 -0.00 1.54 -0.00 -1.26 -3.97 118.94 113.55 1ilu s TRP 48 Ca 0.15 -1.26 0.06 0.00 -0.00 0.00 0.00 56.10 55.05 1ilu s TRP 48 Cb 0.06 -1.64 -0.02 0.00 -0.00 0.00 0.00 33.47 31.88 1ilu s TRP 48 CO -0.04 -0.66 -0.18 0.08 -0.00 0.00 0.00 176.95 176.15 1ilu s VAL 49 N 1.33 1.42 -0.03 5.86 1.01 0.29 -1.35 120.40 128.94 1ilu s VAL 49 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1ilu s VAL 49 Cb -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1ilu s VAL 49 CO -0.09 0.34 -0.21 -0.22 0.00 0.00 0.00 175.10 174.92 1ilu s LEU 50 N -0.58 2.33 0.36 3.92 2.96 -0.53 -1.06 118.68 126.08 1ilu s LEU 50 Ca 0.07 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 1ilu s LEU 50 Cb -0.07 -1.43 0.06 0.00 0.50 0.00 0.00 46.19 45.25 1ilu s LEU 50 CO -0.00 0.33 0.83 -0.94 -1.32 0.00 0.00 176.35 175.25 1ilu s SER 51 N -0.67 0.01 0.56 3.68 1.04 -0.96 -1.07 113.70 116.30 1ilu s SER 51 Ca 0.11 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.29 1ilu s SER 51 Cb -0.10 0.80 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1ilu s SER 51 CO -0.00 -1.59 1.02 0.42 0.98 0.00 0.00 173.24 174.07 1ilu s THR 52 N -2.23 4.27 0.36 2.02 -4.23 -1.26 -1.07 115.64 113.50 1ilu s THR 52 Ca 0.17 1.04 0.13 0.00 -1.18 0.00 0.00 61.69 61.85 1ilu s THR 52 Cb -0.05 -3.60 0.35 0.00 1.34 0.00 0.00 72.50 70.54 1ilu s THR 52 CO 0.11 -0.67 1.80 0.00 -0.54 0.00 0.00 174.62 175.32 1ilu h ALA 53 N 0.58 1.99 -0.54 3.99 0.00 -1.20 -0.95 119.26 123.13 1ilu h ALA 53 Ca -0.46 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ilu h ALA 53 Cb 1.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ilu h ALA 53 CO 0.60 -0.34 0.11 0.00 0.00 0.00 0.00 179.25 179.62 1ilu h ALA 54 N 1.63 0.72 0.00 0.00 0.00 -1.92 -3.10 119.26 116.59 1ilu h ALA 54 Ca 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ilu h ALA 54 Cb 1.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ilu h ALA 54 CO -0.29 0.44 -0.07 -0.25 0.00 0.00 0.00 179.25 179.08 1ilu n ASP 55 N -4.38 0.38 -0.09 0.00 8.00 -0.39 -4.41 116.55 115.65 1ilu n ASP 55 Ca 0.02 0.45 -0.14 0.00 0.71 0.00 0.00 54.79 55.84 1ilu n ASP 55 Cb 0.25 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.00 -1.24 4.05 -1.41 -2.44 114.93 113.48 1ilu h MET 56 Ca 0.00 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1ilu h MET 56 Cb 0.60 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1ilu h MET 56 CO 0.00 -0.28 -0.18 0.37 0.23 0.00 0.00 176.91 177.05 1ilu h GLN 57 N -0.43 0.00 0.18 0.39 5.75 -1.82 -0.90 115.11 118.27 1ilu h GLN 57 Ca 0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1ilu h GLN 57 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1ilu h GLN 57 CO -0.52 0.18 -0.09 0.78 -2.65 0.00 0.00 178.83 176.53 1ilu h GLY 58 N 1.48 -0.25 0.45 2.39 0.00 -1.74 -0.81 103.07 104.59 1ilu h GLY 58 Ca -0.00 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1ilu h GLY 58 CO 0.02 -0.09 -0.10 -2.08 0.00 0.00 0.00 176.54 174.29 1ilu h VAL 59 N -0.49 0.68 0.15 4.60 2.07 -1.03 0.61 116.25 122.84 1ilu h VAL 59 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ilu h VAL 59 Cb 0.38 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1ilu h VAL 59 CO 0.04 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.91 1ilu h VAL 60 N -0.07 0.36 -0.32 2.57 2.07 -1.15 0.11 116.25 119.83 1ilu h VAL 60 Ca 0.12 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 1ilu h VAL 60 Cb 0.25 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ilu h VAL 60 CO -0.27 0.00 -0.22 0.74 0.02 0.00 0.00 177.57 177.84 1ilu h THR 61 N -0.54 1.27 0.00 2.57 2.02 -0.71 -0.58 112.91 116.94 1ilu h THR 61 Ca 0.02 -1.28 -0.12 0.00 0.77 0.00 0.00 66.41 65.80 1ilu h THR 61 Cb 0.55 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1ilu h THR 61 CO -0.15 0.42 -0.59 0.44 0.37 0.00 0.00 175.52 176.00 1ilu h ASP 62 N 0.55 0.00 -0.27 4.18 3.32 -0.87 -2.91 116.42 120.42 1ilu h ASP 62 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1ilu h ASP 62 Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1ilu h ASP 62 CO 0.05 0.59 -0.17 1.23 -1.72 0.00 0.00 179.24 179.22 1ilu h GLY 63 N 3.09 0.64 1.69 2.75 0.00 -0.40 -2.69 103.07 108.16 1ilu h GLY 63 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1ilu h GLY 63 CO 0.08 0.55 0.08 1.98 0.00 0.00 0.00 176.54 179.23 1ilu h MET 64 N 0.32 0.40 0.00 4.80 1.85 -1.12 -1.39 114.93 119.79 1ilu h MET 64 Ca 0.05 -0.05 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 1ilu h MET 64 Cb 0.70 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.65 1ilu h MET 64 CO 0.05 0.37 -0.32 0.00 -0.40 0.00 0.00 176.91 176.61 1ilu h ALA 65 N 1.69 1.47 0.00 0.39 0.00 -1.30 -3.26 119.26 118.25 1ilu h ALA 65 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ilu h ALA 65 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ilu h ALA 65 CO -0.01 0.40 0.00 0.77 0.00 0.00 0.00 179.25 180.41 1ilu h SER 66 N 0.00 0.00 -4.13 0.00 0.02 -0.93 -3.50 113.55 105.01 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 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ilu h SER 66 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 1ilu n GLY 67 N 0.84 -1.66 0.18 -3.77 0.00 -1.23 -3.98 105.19 95.56 1ilu n GLY 67 Ca 0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 0.21 -2.11 0.99 5.85 -1.93 -0.03 115.31 118.29 1ilu h LEU 68 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1ilu h LEU 68 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ilu h LEU 68 CO 0.00 0.16 0.21 -2.24 -0.34 0.00 0.00 178.44 176.23 1ilu h ASP 69 N 0.35 0.00 -0.29 1.25 2.03 -2.03 0.10 116.42 117.84 1ilu h ASP 69 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1ilu h ASP 69 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1ilu h ASP 69 CO -0.17 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.33 1ilu n LYS 70 N -4.14 1.98 -3.21 4.15 4.01 -0.06 -4.93 118.16 115.96 1ilu n LYS 70 Ca 0.03 -1.49 -0.23 0.00 -0.51 0.00 0.00 58.31 56.11 1ilu n LYS 70 Cb 0.36 -1.40 0.03 0.00 -0.51 0.00 0.00 35.03 33.51 1ilu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ilu n ASP 71 N 0.70 -5.44 -4.12 4.39 9.92 0.35 -3.02 116.55 119.33 1ilu n ASP 71 Ca 0.16 -0.36 -0.30 0.00 -0.53 0.00 0.00 54.79 53.76 1ilu n ASP 71 Cb 0.40 -4.40 -0.04 0.00 -0.64 0.00 0.00 41.12 36.44 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ilu n TYR 72 N -4.41 -1.57 -3.86 1.24 4.01 -0.98 -4.77 117.16 106.82 1ilu n TYR 72 Ca -0.07 0.73 -0.12 0.00 -0.16 0.00 0.00 57.90 58.28 1ilu n TYR 72 Cb 0.59 -3.26 -0.13 0.00 -0.31 0.00 0.00 39.34 36.22 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 -7.14 1.80 0.10 7.72 1.43 -1.17 -4.18 118.68 117.23 1ilu s LEU 73 Ca 0.23 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1ilu s LEU 73 Cb -0.13 0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.23 1ilu s LEU 73 CO 0.93 -0.04 1.36 -0.75 0.23 0.00 0.00 176.35 178.07 1ilu s LYS 74 N -0.09 4.34 0.15 1.70 2.20 -1.26 -4.79 119.74 121.98 1ilu s LYS 74 Ca -0.01 2.02 -0.34 0.00 -0.36 0.00 0.00 55.97 57.27 1ilu s LYS 74 Cb -0.01 -3.29 -0.15 0.00 -1.51 0.00 0.00 37.83 32.86 1ilu s LYS 74 CO 0.00 -0.42 1.37 -2.30 -0.36 0.00 0.00 175.35 173.64 1ilu n PRO 75 N 4.07 1.54 -4.13 4.03 -0.02 -1.26 -2.02 135.00 137.20 1ilu n PRO 75 Ca 0.11 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1ilu n PRO 75 Cb 0.43 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1ilu n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ilu n ASP 76 N 2.56 -2.71 -4.64 2.55 2.03 -1.26 -4.88 116.55 110.20 1ilu n ASP 76 Ca 0.16 -0.99 -0.43 0.00 0.52 0.00 0.00 54.79 54.06 1ilu n ASP 76 Cb 0.25 -2.94 -0.03 0.00 -0.72 0.00 0.00 41.12 37.68 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ilu s ASP 77 N -3.57 6.39 0.43 1.67 -1.08 -0.86 -4.89 116.67 114.77 1ilu s ASP 77 Ca 0.55 1.90 0.23 0.00 -0.52 0.00 0.00 52.55 54.71 1ilu s ASP 77 Cb -0.29 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.44 1ilu s ASP 77 CO 0.91 -1.20 1.78 0.77 0.52 0.00 0.00 175.17 177.94 1ilu h SER 78 N 10.73 0.00 1.06 -0.34 4.64 -1.90 -2.74 113.55 124.99 1ilu h SER 78 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ilu h SER 78 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ilu h SER 78 CO 0.98 0.23 0.00 0.03 -0.87 0.00 0.00 176.83 177.20 1ilu h ARG 79 N 0.00 0.00 -6.28 4.77 3.08 -1.97 -3.43 114.38 110.56 1ilu h ARG 79 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1ilu h ARG 79 Cb 0.83 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 1ilu h ARG 79 CO 0.03 0.00 0.88 0.08 -1.07 0.00 0.00 179.97 179.89 1ilu s VAL 80 N -3.46 4.40 -0.02 2.04 1.01 -1.04 -4.51 120.40 118.83 1ilu s VAL 80 Ca 0.04 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 1ilu s VAL 80 Cb 0.09 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.90 1ilu s VAL 80 CO 0.51 -0.41 0.78 0.40 0.00 0.00 0.00 175.10 176.38 1ilu h ILE 81 N 5.73 1.06 -2.74 2.22 2.04 -1.38 -3.49 117.51 120.95 1ilu h ILE 81 Ca -0.22 -2.70 -0.06 0.00 1.00 0.00 0.00 64.86 62.88 1ilu h ILE 81 Cb 1.07 2.73 -0.16 0.00 -0.74 0.00 0.00 36.82 39.72 1ilu h ILE 81 CO 1.02 0.81 0.06 0.00 0.00 0.00 0.00 178.15 180.04 1ilu s ALA 82 N -2.60 -1.36 -0.27 1.87 0.00 -1.24 -4.97 121.76 113.18 1ilu s ALA 82 Ca -0.11 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1ilu s ALA 82 Cb 0.07 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.67 1ilu s ALA 82 CO 0.85 -0.51 0.87 -3.38 0.00 0.00 0.00 175.76 173.58 1ilu s HIS 83 N -2.46 -0.63 0.65 0.00 -3.43 -1.26 -1.46 115.29 106.71 1ilu s HIS 83 Ca -0.05 1.53 0.04 0.00 -0.80 0.00 0.00 55.06 55.77 1ilu s HIS 83 Cb -0.01 0.32 0.11 0.00 -1.43 0.00 0.00 32.58 31.57 1ilu s HIS 83 CO -0.02 -0.31 0.90 0.95 -2.00 0.00 0.00 174.74 174.26 1ilu s THR 84 N 0.24 2.15 0.95 -5.38 -4.23 -0.46 -4.86 115.64 104.07 1ilu s THR 84 Ca 0.01 -0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 59.60 1ilu s THR 84 Cb -0.05 -2.37 0.17 0.00 1.34 0.00 0.00 72.50 71.59 1ilu s THR 84 CO -0.02 0.00 1.21 -0.54 -0.54 0.00 0.00 174.62 174.73 1ilu s LYS 85 N -4.92 0.76 -0.19 3.99 -0.14 -1.26 -4.65 119.74 113.32 1ilu s LYS 85 Ca 0.64 -0.05 -0.21 0.00 -1.36 0.00 0.00 55.97 54.99 1ilu s LYS 85 Cb -0.05 -1.83 -0.02 0.00 -1.68 0.00 0.00 37.83 34.25 1ilu s LYS 85 CO 0.42 -2.39 0.66 -1.17 -0.76 0.00 0.00 175.35 172.10 1ilu s LEU 86 N -6.03 4.15 0.09 3.17 2.96 -1.26 -4.33 118.68 117.42 1ilu s LEU 86 Ca 0.68 0.89 0.10 0.00 -0.22 0.00 0.00 54.13 55.58 1ilu s LEU 86 Cb -0.09 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 1ilu s LEU 86 CO 0.53 -0.29 -0.26 0.27 -1.32 0.00 0.00 176.35 175.28 1ilu s ILE 87 N 1.93 2.12 0.72 6.68 -4.36 -0.06 -4.90 121.20 123.34 1ilu s ILE 87 Ca 0.30 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 1ilu s ILE 87 Cb -0.16 -1.86 0.14 0.00 1.25 0.00 0.00 42.46 41.83 1ilu s ILE 87 CO 0.11 0.19 0.99 0.61 0.24 0.00 0.00 174.94 177.08 1ilu n GLY 88 N 1.32 0.90 3.75 6.27 0.00 -1.26 -1.43 105.19 114.74 1ilu n GLY 88 Ca -0.18 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.40 1ilu n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ilu s SER 89 N -5.09 5.45 0.00 1.61 1.04 -1.18 -2.35 113.70 113.18 1ilu s SER 89 Ca 0.67 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.67 1ilu s SER 89 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ilu s SER 89 CO 0.44 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1ilu n GLY 90 N 0.63 2.88 3.94 7.32 0.00 -0.12 -4.99 105.19 114.85 1ilu n GLY 90 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.14 2.96 -0.07 1.61 2.02 -0.99 -4.91 118.70 119.17 1ilu s GLU 91 Ca 0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 1ilu s GLU 91 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1ilu s GLU 91 CO 0.00 -0.51 0.17 0.21 0.02 0.00 0.00 175.26 175.15 1ilu s LYS 92 N -4.79 0.16 0.28 1.61 2.47 -1.26 -2.82 119.74 115.40 1ilu s LYS 92 Ca 0.52 0.31 0.01 0.00 -1.56 0.00 0.00 55.97 55.25 1ilu s LYS 92 Cb -0.10 -0.02 -0.03 0.00 -1.46 0.00 0.00 37.83 36.23 1ilu s LYS 92 CO 0.42 -0.08 0.28 0.34 0.16 0.00 0.00 175.35 176.46 1ilu s ASP 93 N 0.57 0.87 0.15 1.43 2.15 -0.86 -5.02 116.67 115.95 1ilu s ASP 93 Ca -0.04 -1.52 -0.19 0.00 0.43 0.00 0.00 52.55 51.24 1ilu s ASP 93 Cb -0.05 0.52 0.05 0.00 -0.30 0.00 0.00 42.92 43.13 1ilu s ASP 93 CO -0.03 -1.03 0.49 -0.44 -0.17 0.00 0.00 175.17 173.99 1ilu s SER 94 N -3.25 -0.36 -0.10 -0.34 0.01 -1.26 -1.15 113.70 107.25 1ilu s SER 94 Ca 0.37 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.30 1ilu s SER 94 Cb 0.03 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.83 1ilu s SER 94 CO 0.19 -0.92 0.29 0.54 0.41 0.00 0.00 173.24 173.75 1ilu s VAL 95 N -3.79 0.00 -0.11 3.43 0.11 -0.80 -4.87 120.40 114.37 1ilu s VAL 95 Ca 0.03 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1ilu s VAL 95 Cb 0.00 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1ilu s VAL 95 CO -0.11 -0.02 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.56 1ilu s THR 96 N 0.07 1.79 0.26 5.04 2.01 -1.26 -1.14 115.64 122.41 1ilu s THR 96 Ca -0.01 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.21 1ilu s THR 96 Cb -0.02 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1ilu s THR 96 CO 0.01 0.50 -0.05 0.72 -0.69 0.00 0.00 174.62 175.11 1ilu s PHE 97 N 0.67 1.85 -0.12 4.92 -0.12 -0.82 -4.94 117.98 119.41 1ilu s PHE 97 Ca -0.12 -0.75 -0.25 0.00 -0.05 0.00 0.00 56.93 55.76 1ilu s PHE 97 Cb -0.16 -1.05 -0.02 0.00 -0.63 0.00 0.00 43.02 41.15 1ilu s PHE 97 CO 0.03 0.21 0.80 -0.51 -0.05 0.00 0.00 175.22 175.70 1ilu s ASP 98 N -3.40 7.00 0.36 1.98 1.01 -1.26 -1.50 116.67 120.86 1ilu s ASP 98 Ca 0.29 1.22 0.05 0.00 0.71 0.00 0.00 52.55 54.83 1ilu s ASP 98 Cb 0.04 -2.45 0.69 0.00 1.01 0.00 0.00 42.92 42.21 1ilu s ASP 98 CO 0.11 -0.29 1.94 0.58 0.21 0.00 0.00 175.17 177.71 1ilu h VAL 99 N 5.02 1.17 0.00 -1.27 2.07 -1.69 -2.25 116.25 119.29 1ilu h VAL 99 Ca -0.34 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ilu h VAL 99 Cb 1.16 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ilu h VAL 99 CO 0.80 0.21 0.00 -1.20 0.02 0.00 0.00 177.57 177.40 1ilu n SER 100 N -4.34 0.52 0.04 0.57 7.64 -1.26 -1.53 113.62 115.25 1ilu n SER 100 Ca 0.02 0.72 0.13 0.00 1.01 0.00 0.00 58.87 60.75 1ilu n SER 100 Cb 0.18 -0.80 0.51 0.00 -1.01 0.00 0.00 64.21 63.10 1ilu n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ilu n LYS 101 N -2.18 0.08 -4.26 1.43 4.76 -0.85 -4.73 118.16 112.42 1ilu n LYS 101 Ca -0.01 0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 55.21 1ilu n LYS 101 Cb 0.06 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.54 1ilu n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ilu s LEU 102 N -3.52 3.53 -0.02 -0.35 1.43 -0.58 -5.09 118.68 114.08 1ilu s LEU 102 Ca 0.11 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 1ilu s LEU 102 Cb 0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1ilu s LEU 102 CO 0.50 0.23 0.82 -0.54 0.23 0.00 0.00 176.35 177.58 1ilu s LYS 103 N 0.03 4.50 0.57 1.70 3.01 -1.26 -5.03 119.74 123.26 1ilu s LYS 103 Ca 0.03 1.12 -0.21 0.00 -1.01 0.00 0.00 55.97 55.90 1ilu s LYS 103 Cb -0.13 -3.44 -0.04 0.00 -1.01 0.00 0.00 37.83 33.22 1ilu s LYS 103 CO 0.02 0.06 1.33 -2.00 0.51 0.00 0.00 175.35 175.27 1ilu s GLU 104 N 0.73 2.99 0.00 1.68 2.56 -1.26 -2.72 118.70 122.68 1ilu s GLU 104 Ca 0.43 2.16 0.00 0.00 0.00 0.00 0.00 54.97 57.56 1ilu s GLU 104 Cb -0.19 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.80 1ilu s GLU 104 CO 0.23 -1.29 0.00 0.41 -0.56 0.00 0.00 175.26 174.05 1ilu n GLY 105 N 0.75 2.33 3.74 -1.50 0.00 -1.26 -4.97 105.19 104.29 1ilu n GLY 105 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1ilu n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilu s GLU 106 N 0.00 1.71 -0.26 1.61 0.41 -1.10 -5.03 118.70 116.03 1ilu s GLU 106 Ca 0.00 1.05 -0.09 0.00 -0.41 0.00 0.00 54.97 55.52 1ilu s GLU 106 Cb 0.00 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.47 1ilu s GLU 106 CO 0.00 -1.99 0.14 -0.65 -0.49 0.00 0.00 175.26 172.26 1ilu s GLN 107 N -4.89 3.83 -0.10 1.61 -0.21 -1.26 -4.88 119.66 113.76 1ilu s GLN 107 Ca 0.63 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.65 1ilu s GLN 107 Cb -0.18 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.33 1ilu s GLN 107 CO 0.57 -0.17 -0.20 0.71 -2.12 0.00 0.00 175.29 174.08 1ilu s TYR 108 N 1.65 2.27 0.01 0.91 2.02 -1.25 -0.66 117.35 122.30 1ilu s TYR 108 Ca 0.07 -0.99 0.04 0.00 -0.37 0.00 0.00 57.07 55.81 1ilu s TYR 108 Cb -0.15 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1ilu s TYR 108 CO 0.08 -0.44 -0.08 -1.64 -1.57 0.00 0.00 175.55 171.89 1ilu s MET 109 N 0.61 2.50 0.16 -0.62 -1.94 -0.23 -1.39 119.30 118.38 1ilu s MET 109 Ca -0.14 -0.75 0.11 0.00 -1.71 0.00 0.00 55.69 53.20 1ilu s MET 109 Cb -0.17 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 1ilu s MET 109 CO 0.04 0.60 -0.22 -1.54 -0.01 0.00 0.00 175.02 173.89 1ilu s SER 110 N -1.39 3.60 0.17 3.03 1.04 -0.40 -2.27 113.70 117.47 1ilu s SER 110 Ca 0.17 -0.74 -0.24 0.00 0.48 0.00 0.00 55.95 55.61 1ilu s SER 110 Cb -0.11 -0.36 0.06 0.00 0.10 0.00 0.00 66.02 65.71 1ilu s SER 110 CO 0.07 0.14 0.76 0.72 0.98 0.00 0.00 173.24 175.91 1ilu s PHE 111 N -1.43 -0.31 -0.17 5.02 -0.71 -0.22 -1.47 117.98 118.69 1ilu s PHE 111 Ca 0.19 0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 56.06 1ilu s PHE 111 Cb -0.09 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1ilu s PHE 111 CO 0.10 -0.92 -0.03 0.00 -1.34 0.00 0.00 175.22 173.02 1ilu n THR 113 N 3.78 0.00 -1.71 0.00 -2.24 -1.26 -2.98 114.28 109.87 1ilu n THR 113 Ca -0.17 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ilu n THR 113 Cb 0.52 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1ilu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ilu n PHE 114 N -1.09 2.44 -1.68 4.78 -0.00 -1.26 -4.36 117.46 116.28 1ilu n PHE 114 Ca 0.10 0.45 -0.49 0.00 -0.00 0.00 0.00 57.45 57.51 1ilu n PHE 114 Cb 0.33 -2.47 -0.05 0.00 -0.00 0.00 0.00 39.48 37.29 1ilu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ilu n PRO 115 N 1.23 2.01 0.00 -7.13 -0.02 -1.26 -1.31 135.00 128.52 1ilu n PRO 115 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ilu n PRO 115 Cb 0.35 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 116 N 4.08 2.15 0.19 -1.23 0.00 -1.26 -4.93 105.19 104.20 1ilu n GLY 116 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 0.79 -1.05 1.61 3.86 -1.45 -3.31 115.15 115.60 1ilu h HIS 117 Ca 0.00 -0.38 0.30 0.00 -1.16 0.00 0.00 60.37 59.13 1ilu h HIS 117 Cb 0.00 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 1ilu h HIS 117 CO 0.00 1.19 0.75 0.66 0.86 0.00 0.00 177.93 181.39 1ilu h SER 118 N 0.36 0.06 -0.84 2.45 4.64 -1.72 0.85 113.55 119.35 1ilu h SER 118 Ca -0.06 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1ilu h SER 118 Cb 1.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.51 1ilu h SER 118 CO 0.16 0.01 0.56 0.00 -0.87 0.00 0.00 176.83 176.69 1ilu h ALA 119 N 1.49 1.40 0.00 5.18 0.00 -1.91 -3.23 119.26 122.19 1ilu h ALA 119 Ca 0.51 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.22 1ilu h ALA 119 Cb 1.94 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1ilu h ALA 119 CO -0.04 0.56 -1.81 1.28 0.00 0.00 0.00 179.25 179.23 1ilu n LEU 120 N -4.41 0.00 -3.83 0.00 4.77 -0.55 -4.70 117.00 108.28 1ilu n LEU 120 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1ilu n LEU 120 Cb 0.02 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ilu n LEU 120 CO 0.37 0.20 1.08 0.23 -1.33 0.00 0.00 177.39 177.93 1ilu n MET 121 N -2.30 4.51 -4.19 3.23 2.81 0.18 -4.74 117.12 116.63 1ilu n MET 121 Ca -0.14 -4.61 -0.24 0.00 -1.81 0.00 0.00 57.70 50.91 1ilu n MET 121 Cb 0.71 -2.47 -0.07 0.00 -0.71 0.00 0.00 33.22 30.68 1ilu n MET 121 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ilu s LYS 122 N -3.16 2.26 -0.25 0.03 1.02 -1.25 -2.16 119.74 116.24 1ilu s LYS 122 Ca 0.34 -1.62 -0.34 0.00 0.02 0.00 0.00 55.97 54.37 1ilu s LYS 122 Cb 0.10 -2.08 0.16 0.00 -0.52 0.00 0.00 37.83 35.49 1ilu s LYS 122 CO 0.04 0.12 1.30 0.20 -0.92 0.00 0.00 175.35 176.09 1ilu s GLY 123 N -3.80 -0.13 -0.02 -3.33 0.00 -0.54 -4.71 107.32 94.79 1ilu s GLY 123 Ca 0.37 2.15 -0.07 0.00 0.00 0.00 0.00 44.72 47.16 1ilu s GLY 123 CO 0.21 0.79 0.26 -0.51 0.00 0.00 0.00 173.10 173.85 1ilu s THR 124 N -1.74 5.31 -0.14 0.90 -4.23 -1.02 -1.28 115.64 113.45 1ilu s THR 124 Ca 0.09 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1ilu s THR 124 Cb -0.01 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1ilu s THR 124 CO -0.05 0.44 -0.20 -0.22 -0.54 0.00 0.00 174.62 174.05 1ilu s LEU 125 N -1.54 2.23 -0.02 4.79 2.96 -0.49 -0.05 118.68 126.57 1ilu s LEU 125 Ca 0.25 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1ilu s LEU 125 Cb -0.13 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1ilu s LEU 125 CO 0.13 0.10 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.34 1ilu s THR 126 N 0.73 0.33 0.12 3.68 2.01 -0.54 -3.74 115.64 118.24 1ilu s THR 126 Ca -0.08 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1ilu s THR 126 Cb -0.16 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1ilu s THR 126 CO 0.00 0.14 0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 1ilu s LEU 127 N 0.43 4.01 0.00 4.42 1.02 -1.26 0.44 118.68 127.74 1ilu s LEU 127 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1ilu s LEU 127 Cb -0.08 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.50 1ilu s LEU 127 CO -0.01 0.11 0.00 2.29 0.02 0.00 0.00 176.35 178.76