#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilu n GLU 2 N 0.00 0.61 -0.76 0.00 2.13 -1.26 -0.94 120.64 120.43 1ilu n GLU 2 Ca 0.00 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1ilu n GLU 2 Cb 0.00 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1ilu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ilu s SER 4 N -3.10 0.06 -0.03 0.00 1.04 -0.11 -2.40 113.70 109.16 1ilu s SER 4 Ca 0.00 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 1ilu s SER 4 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1ilu s SER 4 CO 0.00 -0.76 0.16 0.54 0.98 0.00 0.00 173.24 174.16 1ilu s VAL 5 N -3.86 0.04 -0.19 5.02 0.11 -0.68 0.64 120.40 121.48 1ilu s VAL 5 Ca 0.05 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1ilu s VAL 5 Cb 0.04 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1ilu s VAL 5 CO -0.11 -0.20 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.53 1ilu s ASP 6 N -0.69 3.72 0.05 3.54 1.01 -1.26 -0.58 116.67 122.46 1ilu s ASP 6 Ca -0.08 -0.51 0.07 0.00 0.71 0.00 0.00 52.55 52.75 1ilu s ASP 6 Cb -0.05 -1.61 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 1ilu s ASP 6 CO 0.01 0.00 -0.20 -0.51 0.21 0.00 0.00 175.17 174.68 1ilu s ILE 7 N 1.30 1.65 -0.01 0.77 2.07 -0.06 -4.97 121.20 121.96 1ilu s ILE 7 Ca 0.04 -1.25 0.03 0.00 -1.41 0.00 0.00 60.65 58.06 1ilu s ILE 7 Cb -0.14 -1.45 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 1ilu s ILE 7 CO -0.07 0.15 -0.09 -1.10 -1.91 0.00 0.00 174.94 171.92 1ilu s GLN 8 N -1.30 2.52 -0.19 3.50 -0.21 -1.26 -1.30 119.66 121.42 1ilu s GLN 8 Ca 0.07 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 1ilu s GLN 8 Cb -0.09 -2.46 0.05 0.00 1.00 0.00 0.00 33.01 31.51 1ilu s GLN 8 CO 0.02 0.61 0.00 0.20 -2.12 0.00 0.00 175.29 174.00 1ilu s GLY 9 N -1.21 0.84 0.59 3.09 0.00 -0.62 -1.39 107.32 108.62 1ilu s GLY 9 Ca 0.15 -0.79 0.10 0.00 0.00 0.00 0.00 44.72 44.17 1ilu s GLY 9 CO 0.05 1.22 0.80 0.54 0.00 0.00 0.00 173.10 175.71 1ilu s ASN 10 N 1.74 4.99 0.47 1.64 2.20 -0.66 -3.36 114.94 121.97 1ilu s ASN 10 Ca -0.01 -0.94 0.32 0.00 -0.94 0.00 0.00 52.86 51.29 1ilu s ASN 10 Cb -0.17 0.45 1.50 0.00 -2.00 0.00 0.00 41.25 41.03 1ilu s ASN 10 CO -0.07 -1.41 1.95 0.44 -2.94 0.00 0.00 177.10 175.07 1ilu h ASP 11 N 0.15 0.00 -0.30 3.54 3.32 -1.89 -2.31 116.42 118.92 1ilu h ASP 11 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1ilu h ASP 11 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1ilu h ASP 11 CO 0.41 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 1ilu n GLN 12 N -2.73 2.41 -4.14 3.56 3.00 -1.26 -4.90 117.38 113.32 1ilu n GLN 12 Ca -0.00 -1.39 -0.45 0.00 -0.01 0.00 0.00 57.00 55.16 1ilu n GLN 12 Cb 0.18 -1.62 -0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 0.39 -0.34 -4.92 -1.09 0.00 -0.87 -4.99 117.12 105.30 1ilu n MET 13 Ca 0.12 0.06 -0.26 0.00 0.00 0.00 0.00 57.70 57.62 1ilu n MET 13 Cb 0.53 -2.66 -0.16 0.00 0.00 0.00 0.00 33.22 30.93 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 -7.49 1.74 0.17 3.17 -0.21 -1.26 -4.37 119.66 111.42 1ilu s GLN 14 Ca 0.40 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 55.02 1ilu s GLN 14 Cb -0.23 -1.58 -0.07 0.00 1.00 0.00 0.00 33.01 32.14 1ilu s GLN 14 CO 0.98 0.33 0.49 -0.06 -2.12 0.00 0.00 175.29 174.92 1ilu s PHE 15 N -0.21 3.49 0.25 0.91 0.08 -1.26 -1.65 117.98 119.59 1ilu s PHE 15 Ca 0.01 0.82 0.23 0.00 0.12 0.00 0.00 56.93 58.12 1ilu s PHE 15 Cb -0.10 -2.21 1.01 0.00 -0.57 0.00 0.00 43.02 41.16 1ilu s PHE 15 CO 0.01 0.37 1.88 -2.95 -0.10 0.00 0.00 175.22 174.43 1ilu h ASN 16 N 2.96 0.00 -4.24 1.36 -1.07 -1.62 -3.45 115.58 109.53 1ilu h ASN 16 Ca -0.47 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 55.61 1ilu h ASN 16 Cb 1.18 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 37.28 1ilu h ASN 16 CO 0.69 0.24 -0.71 0.28 0.07 0.00 0.00 177.43 178.00 1ilu s THR 17 N -3.85 0.98 -0.02 6.14 -1.32 -1.26 -5.03 115.64 111.28 1ilu s THR 17 Ca -0.01 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1ilu s THR 17 Cb 0.12 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1ilu s THR 17 CO 0.64 -0.77 0.34 -0.46 -2.21 0.00 0.00 174.62 172.16 1ilu n ASN 18 N -0.06 0.68 -3.77 8.08 0.23 -1.26 -4.91 115.26 114.24 1ilu n ASN 18 Ca -0.12 -0.84 -0.13 0.00 -0.53 0.00 0.00 54.58 52.97 1ilu n ASN 18 Cb 0.60 0.33 -0.13 0.00 -2.08 0.00 0.00 39.78 38.51 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 -0.35 -0.47 -0.11 -2.53 0.00 -1.26 -1.24 121.76 115.81 1ilu s ALA 19 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1ilu s ALA 19 Cb 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ilu s ALA 19 CO 0.00 -0.14 -0.04 0.42 0.00 0.00 0.00 175.76 176.00 1ilu s ILE 20 N 0.69 0.77 -0.19 0.00 1.01 0.29 -4.95 121.20 118.82 1ilu s ILE 20 Ca -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1ilu s ILE 20 Cb -0.06 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1ilu s ILE 20 CO -0.04 0.27 0.02 0.42 0.00 0.00 0.00 174.94 175.62 1ilu s THR 21 N 1.80 4.29 -0.25 2.92 -4.23 -1.26 -0.63 115.64 118.28 1ilu s THR 21 Ca 0.04 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 1ilu s THR 21 Cb -0.13 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1ilu s THR 21 CO -0.07 0.44 0.30 -0.69 -0.54 0.00 0.00 174.62 174.06 1ilu s VAL 22 N 0.72 5.24 -0.02 2.29 1.01 -0.10 -4.94 120.40 124.59 1ilu s VAL 22 Ca 0.01 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1ilu s VAL 22 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1ilu s VAL 22 CO 0.02 0.23 1.36 -0.62 0.00 0.00 0.00 175.10 176.09 1ilu s ASP 23 N 1.46 6.89 0.32 3.32 2.15 -1.26 -1.77 116.67 127.78 1ilu s ASP 23 Ca 0.13 2.03 0.21 0.00 0.43 0.00 0.00 52.55 55.34 1ilu s ASP 23 Cb -0.15 -2.56 1.13 0.00 -0.30 0.00 0.00 42.92 41.04 1ilu s ASP 23 CO 0.09 -0.70 1.63 0.29 -0.17 0.00 0.00 175.17 176.30 1ilu n LYS 24 N 5.50 0.13 0.23 4.34 5.02 -0.69 -1.10 118.16 131.59 1ilu n LYS 24 Ca 0.13 0.63 0.09 0.00 -2.02 0.00 0.00 58.31 57.14 1ilu n LYS 24 Cb 0.44 -1.98 0.55 0.00 -0.02 0.00 0.00 35.03 34.02 1ilu n LYS 24 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1ilu h SER 25 N 0.00 0.00 -2.75 4.39 0.02 -1.91 -3.43 113.55 109.87 1ilu h SER 25 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1ilu h SER 25 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1ilu h SER 25 CO 0.00 0.22 0.97 0.00 -1.14 0.00 0.00 176.83 176.88 1ilu h LYS 27 N 8.64 0.32 -6.85 0.00 6.56 -1.88 -3.41 116.57 119.94 1ilu h LYS 27 Ca -0.38 -0.23 -0.68 0.00 -1.06 0.00 0.00 60.65 58.30 1ilu h LYS 27 Cb 1.17 0.04 -0.21 0.00 -0.57 0.00 0.00 32.23 32.65 1ilu h LYS 27 CO 0.94 0.84 -0.86 -0.65 -2.06 0.00 0.00 179.45 177.66 1ilu s GLN 28 N -3.86 1.43 0.08 3.15 -0.21 -1.26 -1.35 119.66 117.63 1ilu s GLN 28 Ca -0.14 -1.38 0.08 0.00 0.02 0.00 0.00 55.36 53.93 1ilu s GLN 28 Cb 0.04 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 1ilu s GLN 28 CO 0.76 0.44 -0.16 0.12 -2.12 0.00 0.00 175.29 174.33 1ilu s PHE 29 N -1.17 2.59 -0.05 0.91 5.36 -0.08 -4.89 117.98 120.65 1ilu s PHE 29 Ca 0.15 -0.23 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1ilu s PHE 29 Cb -0.10 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 1ilu s PHE 29 CO 0.07 0.33 -0.15 0.99 -1.46 0.00 0.00 175.22 174.99 1ilu s THR 30 N -1.05 1.32 -0.15 0.12 2.01 -1.01 -0.22 115.64 116.67 1ilu s THR 30 Ca 0.17 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1ilu s THR 30 Cb -0.11 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 1ilu s THR 30 CO 0.08 0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.55 1ilu s VAL 31 N 0.20 2.67 -0.30 3.82 1.01 -0.03 -1.68 120.40 126.09 1ilu s VAL 31 Ca -0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ilu s VAL 31 Cb -0.12 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ilu s VAL 31 CO 0.03 0.52 0.06 0.20 0.00 0.00 0.00 175.10 175.90 1ilu s ASN 32 N 0.76 5.03 -0.17 3.32 0.01 0.25 -1.15 114.94 122.99 1ilu s ASN 32 Ca -0.06 -0.84 -0.07 0.00 -0.71 0.00 0.00 52.86 51.18 1ilu s ASN 32 Cb -0.15 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 1ilu s ASN 32 CO 0.01 -0.21 0.05 -0.22 -1.51 0.00 0.00 177.10 175.22 1ilu s LEU 33 N 1.44 3.78 0.08 0.60 2.96 0.84 -0.88 118.68 127.50 1ilu s LEU 33 Ca 0.01 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.09 1ilu s LEU 33 Cb -0.18 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1ilu s LEU 33 CO 0.01 0.20 -0.21 -0.94 -1.32 0.00 0.00 176.35 174.09 1ilu s SER 34 N 0.22 2.57 -0.46 3.68 1.04 -0.42 -1.50 113.70 118.83 1ilu s SER 34 Ca 0.04 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1ilu s SER 34 Cb -0.12 -0.17 0.12 0.00 0.10 0.00 0.00 66.02 65.95 1ilu s SER 34 CO 0.01 0.10 0.23 -2.28 0.98 0.00 0.00 173.24 172.28 1ilu s HIS 35 N -1.04 3.53 0.84 5.02 2.46 -1.20 -1.59 115.29 123.31 1ilu s HIS 35 Ca 0.07 -2.72 -0.15 0.00 0.47 0.00 0.00 55.06 52.73 1ilu s HIS 35 Cb -0.10 -3.10 -0.03 0.00 -0.13 0.00 0.00 32.58 29.22 1ilu s HIS 35 CO 0.04 -0.91 0.24 -2.30 -2.47 0.00 0.00 174.74 169.34 1ilu n PRO 36 N 4.06 0.02 0.00 2.88 -0.02 -1.21 -2.33 135.00 138.39 1ilu n PRO 36 Ca 0.02 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1ilu n PRO 36 Cb 0.39 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1ilu n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 37 N 1.92 -1.83 0.00 -1.23 0.00 -1.26 -3.77 105.19 99.02 1ilu n GLY 37 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.34 0.15 -4.73 1.61 6.94 -1.26 -4.43 115.26 113.87 1ilu n ASN 38 Ca 0.00 -0.52 -0.42 0.00 -0.02 0.00 0.00 54.58 53.62 1ilu n ASN 38 Cb 0.00 0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 38.09 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ilu s LEU 39 N -1.40 4.41 1.07 -4.53 1.43 -1.26 -4.83 118.68 113.57 1ilu s LEU 39 Ca 0.00 2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 1ilu s LEU 39 Cb 0.00 -3.59 0.23 0.00 0.03 0.00 0.00 46.19 42.86 1ilu s LEU 39 CO 0.00 -0.42 1.08 -2.16 0.23 0.00 0.00 176.35 175.08 1ilu s PRO 40 N 0.40 -0.18 0.31 1.29 0.04 -1.26 -3.46 135.00 132.15 1ilu s PRO 40 Ca 0.56 0.47 0.07 0.00 0.04 0.00 0.00 61.00 62.14 1ilu s PRO 40 Cb -0.31 -1.67 0.75 0.00 0.04 0.00 0.00 34.50 33.31 1ilu s PRO 40 CO 0.33 -3.13 1.80 -0.22 0.04 0.00 0.00 177.00 175.81 1ilu h LYS 41 N -2.18 0.74 -0.01 4.56 3.64 -1.86 0.12 116.57 121.58 1ilu h LYS 41 Ca -0.55 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1ilu h LYS 41 Cb 1.33 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ilu h LYS 41 CO 0.54 0.49 -0.09 0.27 -2.27 0.00 0.00 179.45 178.39 1ilu n ASN 42 N -4.71 1.04 -0.05 4.20 6.94 -1.26 -0.43 115.26 121.00 1ilu n ASN 42 Ca 0.22 -1.13 -0.06 0.00 -0.02 0.00 0.00 54.58 53.60 1ilu n ASN 42 Cb 0.55 0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.94 1ilu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ilu n VAL 43 N -0.36 0.55 -2.69 3.53 0.31 -0.80 -4.87 118.33 114.00 1ilu n VAL 43 Ca 0.17 -0.24 -0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1ilu n VAL 43 Cb 0.31 -0.83 0.06 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.65 1.27 -2.13 5.55 0.00 0.34 -5.01 117.12 114.49 1ilu n MET 44 Ca -0.16 -2.56 -0.36 0.00 -0.00 0.00 0.00 57.70 54.61 1ilu n MET 44 Cb 0.70 -0.74 0.01 0.00 0.00 0.00 0.00 33.22 33.20 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 -2.71 2.74 0.00 -5.12 0.00 0.43 -4.77 107.32 97.89 1ilu s GLY 45 Ca 0.22 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.92 1ilu s GLY 45 CO -0.08 1.39 -0.03 0.30 0.00 0.00 0.00 173.10 174.67 1ilu s HIS 46 N -1.60 0.31 0.39 1.90 3.76 -0.78 -4.73 115.29 114.54 1ilu s HIS 46 Ca 0.71 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.56 1ilu s HIS 46 Cb -0.29 -0.20 -0.07 0.00 1.11 0.00 0.00 32.58 33.14 1ilu s HIS 46 CO 0.33 -0.02 0.03 0.54 -0.85 0.00 0.00 174.74 174.77 1ilu s ASN 47 N -0.30 3.40 -0.19 1.40 2.20 -1.26 -0.41 114.94 119.78 1ilu s ASN 47 Ca -0.01 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 50.51 1ilu s ASN 47 Cb -0.03 -0.19 0.04 0.00 -2.00 0.00 0.00 41.25 39.08 1ilu s ASN 47 CO -0.00 -0.55 -0.09 0.86 -2.94 0.00 0.00 177.10 174.38 1ilu s TRP 48 N -2.92 2.19 -0.01 1.54 -0.00 -1.26 -4.36 118.94 114.11 1ilu s TRP 48 Ca 0.32 -1.42 0.05 0.00 -0.00 0.00 0.00 56.10 55.06 1ilu s TRP 48 Cb 0.09 -1.54 -0.03 0.00 -0.00 0.00 0.00 33.47 31.99 1ilu s TRP 48 CO 0.16 -0.70 -0.16 0.08 -0.00 0.00 0.00 176.95 176.33 1ilu s VAL 49 N 1.47 2.94 0.06 5.86 1.01 0.05 -1.83 120.40 129.95 1ilu s VAL 49 Ca -0.00 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1ilu s VAL 49 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ilu s VAL 49 CO -0.08 0.48 -0.25 -0.22 0.00 0.00 0.00 175.10 175.03 1ilu s LEU 50 N -1.03 2.19 0.24 3.92 2.96 -0.72 -0.87 118.68 125.37 1ilu s LEU 50 Ca 0.13 -0.60 -0.21 0.00 -0.22 0.00 0.00 54.13 53.23 1ilu s LEU 50 Cb -0.11 -1.20 0.06 0.00 0.50 0.00 0.00 46.19 45.45 1ilu s LEU 50 CO 0.03 0.22 0.90 -0.94 -1.32 0.00 0.00 176.35 175.24 1ilu s SER 51 N -1.34 -0.10 0.54 3.68 1.04 -0.60 -1.85 113.70 115.07 1ilu s SER 51 Ca 0.11 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 55.65 1ilu s SER 51 Cb -0.10 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 1ilu s SER 51 CO 0.02 -1.19 1.14 0.42 0.98 0.00 0.00 173.24 174.61 1ilu s THR 52 N -2.85 3.13 0.28 2.02 -4.23 -1.26 -0.84 115.64 111.88 1ilu s THR 52 Ca 0.15 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1ilu s THR 52 Cb -0.03 -3.29 0.29 0.00 1.34 0.00 0.00 72.50 70.80 1ilu s THR 52 CO 0.06 -0.14 1.67 0.00 -0.54 0.00 0.00 174.62 175.67 1ilu h ALA 53 N 1.24 1.22 -0.38 3.99 0.00 -1.36 -0.49 119.26 123.48 1ilu h ALA 53 Ca -0.50 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1ilu h ALA 53 Cb 1.26 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1ilu h ALA 53 CO 0.57 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1ilu h ALA 54 N 1.72 1.26 -0.00 0.00 0.00 -1.91 -3.02 119.26 117.30 1ilu h ALA 54 Ca 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ilu h ALA 54 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ilu h ALA 54 CO -0.59 0.49 -0.19 -0.25 0.00 0.00 0.00 179.25 178.71 1ilu n ASP 55 N -4.24 0.26 -0.16 0.00 8.00 -0.22 -4.33 116.55 115.85 1ilu n ASP 55 Ca 0.02 0.03 -0.02 0.00 0.71 0.00 0.00 54.79 55.53 1ilu n ASP 55 Cb 0.28 -0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.11 0.10 -0.56 -1.24 4.05 -1.34 -2.12 114.93 113.93 1ilu h MET 56 Ca 0.00 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 1ilu h MET 56 Cb 0.47 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1ilu h MET 56 CO 0.00 0.06 -0.01 0.37 0.23 0.00 0.00 176.91 177.56 1ilu h GLN 57 N 0.10 0.96 0.13 0.39 5.75 -1.80 -1.96 115.11 118.68 1ilu h GLN 57 Ca 0.26 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1ilu h GLN 57 Cb 0.40 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1ilu h GLN 57 CO -0.44 0.96 -0.06 0.78 -2.65 0.00 0.00 178.83 177.41 1ilu h GLY 58 N 0.99 -0.18 0.71 2.39 0.00 -1.75 -1.91 103.07 103.33 1ilu h GLY 58 Ca 0.16 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1ilu h GLY 58 CO 0.03 -0.06 0.18 -2.08 0.00 0.00 0.00 176.54 174.60 1ilu h VAL 59 N -0.34 0.92 -0.13 4.60 2.07 -1.29 -0.12 116.25 121.96 1ilu h VAL 59 Ca -0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ilu h VAL 59 Cb 0.28 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1ilu h VAL 59 CO 0.03 0.07 0.08 0.58 0.02 0.00 0.00 177.57 178.34 1ilu h VAL 60 N 0.36 1.07 -0.11 2.57 2.07 -1.30 0.67 116.25 121.59 1ilu h VAL 60 Ca 0.18 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1ilu h VAL 60 Cb 0.13 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ilu h VAL 60 CO -0.16 0.07 0.04 0.74 0.02 0.00 0.00 177.57 178.28 1ilu h THR 61 N 0.14 0.98 0.00 2.57 2.02 -1.16 -0.36 112.91 117.09 1ilu h THR 61 Ca 0.05 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1ilu h THR 61 Cb 0.04 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ilu h THR 61 CO -0.01 0.02 -0.37 0.44 0.37 0.00 0.00 175.52 175.97 1ilu h ASP 62 N 0.09 0.00 -0.05 4.18 3.32 -0.95 -2.85 116.42 120.15 1ilu h ASP 62 Ca 0.04 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 1ilu h ASP 62 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ilu h ASP 62 CO -0.04 0.37 -0.52 1.23 -1.72 0.00 0.00 179.24 178.55 1ilu h GLY 63 N 1.39 0.49 2.00 2.75 0.00 -0.57 -2.73 103.07 106.41 1ilu h GLY 63 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1ilu h GLY 63 CO 0.05 0.68 -0.07 -0.33 0.00 0.00 0.00 176.54 176.86 1ilu h MET 64 N -0.02 0.00 0.00 4.80 2.86 -0.99 -0.17 114.93 121.41 1ilu h MET 64 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ilu h MET 64 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1ilu h MET 64 CO 0.10 0.07 0.00 0.00 1.06 0.00 0.00 176.91 178.14 1ilu h ALA 65 N 1.93 1.00 -0.00 6.32 0.00 -1.43 -3.30 119.26 123.78 1ilu h ALA 65 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ilu h ALA 65 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ilu h ALA 65 CO 0.01 0.00 -0.06 0.43 0.00 0.00 0.00 179.25 179.63 1ilu n SER 66 N -2.90 0.44 -0.65 0.00 7.64 -0.08 -5.04 113.62 113.03 1ilu n SER 66 Ca 0.04 -0.71 0.08 0.00 1.01 0.00 0.00 58.87 59.29 1ilu n SER 66 Cb 0.50 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1ilu n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ilu n GLY 67 N 1.21 -2.52 0.15 0.23 0.00 -1.23 -3.60 105.19 99.43 1ilu n GLY 67 Ca 0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.63 0.16 -0.91 0.99 5.85 -1.92 0.19 115.31 119.04 1ilu h LEU 68 Ca -0.06 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.93 1ilu h LEU 68 Cb 0.62 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 1ilu h LEU 68 CO 0.03 0.13 0.39 -2.24 -0.34 0.00 0.00 178.44 176.40 1ilu h ASP 69 N 0.28 0.29 -0.46 1.25 2.03 -2.02 -0.21 116.42 117.58 1ilu h ASP 69 Ca 0.15 0.17 -0.12 0.00 -0.73 0.00 0.00 57.03 56.50 1ilu h ASP 69 Cb 0.10 0.16 -0.07 0.00 -0.83 0.00 0.00 39.33 38.70 1ilu h ASP 69 CO -0.14 -0.05 0.15 0.29 -1.03 0.00 0.00 179.24 178.45 1ilu n LYS 70 N -5.08 2.87 -1.95 4.15 4.76 -1.03 -4.89 118.16 116.99 1ilu n LYS 70 Ca 0.23 -1.95 -0.18 0.00 -2.87 0.00 0.00 58.31 53.54 1ilu n LYS 70 Cb 0.71 -1.90 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.06 -5.06 -3.80 4.39 9.92 -0.09 -2.08 116.55 119.89 1ilu n ASP 71 Ca 0.25 0.26 -0.25 0.00 -0.53 0.00 0.00 54.79 54.52 1ilu n ASP 71 Cb 0.99 -4.38 0.03 0.00 -0.64 0.00 0.00 41.12 37.12 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 -2.97 -2.10 -3.80 1.24 4.01 0.03 -4.71 117.16 108.85 1ilu n TYR 72 Ca -0.20 0.87 -0.13 0.00 -0.16 0.00 0.00 57.90 58.29 1ilu n TYR 72 Cb 0.63 -4.21 -0.12 0.00 -0.31 0.00 0.00 39.34 35.33 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 -6.97 1.21 0.02 7.72 1.43 -0.88 -4.31 118.68 116.90 1ilu s LEU 73 Ca 0.31 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 1ilu s LEU 73 Cb -0.15 0.71 -0.06 0.00 0.03 0.00 0.00 46.19 46.72 1ilu s LEU 73 CO 0.82 -0.08 1.38 -0.75 0.23 0.00 0.00 176.35 177.95 1ilu s LYS 74 N 0.08 4.30 0.32 1.70 2.20 -1.26 -4.81 119.74 122.27 1ilu s LYS 74 Ca -0.00 1.96 -0.29 0.00 -0.36 0.00 0.00 55.97 57.27 1ilu s LYS 74 Cb -0.02 -3.50 -0.12 0.00 -1.51 0.00 0.00 37.83 32.69 1ilu s LYS 74 CO 0.00 -0.52 1.52 -2.30 -0.36 0.00 0.00 175.35 173.70 1ilu n PRO 75 N 5.01 2.61 -3.74 4.03 -0.02 -1.26 -2.85 135.00 138.77 1ilu n PRO 75 Ca 0.12 0.92 -0.27 0.00 -2.02 0.00 0.00 63.50 62.26 1ilu n PRO 75 Cb 0.44 -2.66 0.05 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.47 -5.35 -4.60 2.55 9.92 -1.26 -4.92 116.55 114.36 1ilu n ASP 76 Ca 0.06 -0.66 -0.43 0.00 -0.53 0.00 0.00 54.79 53.23 1ilu n ASP 76 Cb 0.37 -4.47 -0.02 0.00 -0.64 0.00 0.00 41.12 36.35 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ilu s ASP 77 N -3.39 6.43 0.53 -2.24 -1.08 -1.13 -4.87 116.67 110.93 1ilu s ASP 77 Ca 0.59 0.77 0.18 0.00 -0.52 0.00 0.00 52.55 53.57 1ilu s ASP 77 Cb -0.28 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.01 1ilu s ASP 77 CO 0.78 -1.37 2.17 0.77 0.52 0.00 0.00 175.17 178.04 1ilu h SER 78 N 10.26 0.00 1.12 -0.34 4.64 -1.92 -2.94 113.55 124.37 1ilu h SER 78 Ca -0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1ilu h SER 78 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1ilu h SER 78 CO 1.09 0.00 -0.31 0.03 -0.87 0.00 0.00 176.83 176.77 1ilu h ARG 79 N 0.00 0.00 -6.11 4.77 3.08 -1.98 -3.44 114.38 110.70 1ilu h ARG 79 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1ilu h ARG 79 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1ilu h ARG 79 CO -0.00 0.31 0.81 0.08 -1.07 0.00 0.00 179.97 180.11 1ilu s VAL 80 N -3.43 4.62 0.09 2.04 1.01 -1.11 -4.56 120.40 119.06 1ilu s VAL 80 Ca 0.02 1.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.87 1ilu s VAL 80 Cb 0.09 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 1ilu s VAL 80 CO 0.68 -0.21 1.21 0.40 0.00 0.00 0.00 175.10 177.18 1ilu h ILE 81 N 5.48 1.37 -2.02 2.22 2.04 -1.66 -3.48 117.51 121.47 1ilu h ILE 81 Ca -0.20 -2.51 0.06 0.00 1.00 0.00 0.00 64.86 63.21 1ilu h ILE 81 Cb 1.06 2.57 -0.18 0.00 -0.74 0.00 0.00 36.82 39.53 1ilu h ILE 81 CO 0.98 0.76 0.44 0.00 0.00 0.00 0.00 178.15 180.33 1ilu s ALA 82 N -3.11 -1.84 0.01 1.87 0.00 -1.25 -5.02 121.76 112.42 1ilu s ALA 82 Ca -0.07 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 1ilu s ALA 82 Cb 0.07 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.24 1ilu s ALA 82 CO 0.90 -0.50 0.70 -3.38 0.00 0.00 0.00 175.76 173.48 1ilu s HIS 83 N -2.10 -0.57 0.32 0.00 -3.43 -1.26 -1.76 115.29 106.49 1ilu s HIS 83 Ca -0.00 0.75 0.02 0.00 -0.80 0.00 0.00 55.06 55.03 1ilu s HIS 83 Cb -0.01 0.47 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 1ilu s HIS 83 CO -0.02 -0.66 0.44 0.25 -2.00 0.00 0.00 174.74 172.75 1ilu n THR 84 N 0.39 0.00 -1.67 -5.38 -2.24 -0.76 -4.82 114.28 99.80 1ilu n THR 84 Ca -0.17 -0.83 -0.29 0.00 -2.27 0.00 0.00 64.05 60.50 1ilu n THR 84 Cb 0.60 -0.99 0.12 0.00 -2.10 0.00 0.00 70.33 67.96 1ilu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ilu s LYS 85 N -3.51 1.41 -0.22 -0.78 -0.14 -1.26 -4.68 119.74 110.56 1ilu s LYS 85 Ca 0.31 0.22 -0.20 0.00 -1.36 0.00 0.00 55.97 54.93 1ilu s LYS 85 Cb -0.02 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.23 1ilu s LYS 85 CO 0.20 -2.00 0.59 -1.17 -0.76 0.00 0.00 175.35 172.21 1ilu s LEU 86 N -5.88 4.12 0.24 3.17 2.96 -1.26 -4.22 118.68 117.80 1ilu s LEU 86 Ca 0.63 0.73 0.10 0.00 -0.22 0.00 0.00 54.13 55.38 1ilu s LEU 86 Cb -0.13 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 1ilu s LEU 86 CO 0.52 -0.27 -0.12 0.27 -1.32 0.00 0.00 176.35 175.42 1ilu s ILE 87 N 2.01 2.93 0.54 6.68 -4.36 0.45 -4.86 121.20 124.59 1ilu s ILE 87 Ca 0.26 -2.02 0.08 0.00 -0.26 0.00 0.00 60.65 58.70 1ilu s ILE 87 Cb -0.16 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 41.10 1ilu s ILE 87 CO 0.10 -0.28 0.60 -0.83 0.24 0.00 0.00 174.94 174.77 1ilu s GLY 88 N -3.27 2.02 0.42 6.27 0.00 -1.26 -1.87 107.32 109.63 1ilu s GLY 88 Ca 0.28 -1.76 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 1ilu s GLY 88 CO 0.16 -1.78 1.38 -1.35 0.00 0.00 0.00 173.10 171.51 1ilu s SER 89 N -4.46 6.14 0.00 1.64 1.04 -1.22 -1.43 113.70 115.41 1ilu s SER 89 Ca 0.50 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.74 1ilu s SER 89 Cb -0.04 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1ilu s SER 89 CO 0.31 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1ilu n GLY 90 N 0.61 1.01 4.01 7.32 0.00 -0.98 -4.98 105.19 112.18 1ilu n GLY 90 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.22 2.10 0.03 1.61 2.02 -0.51 -4.97 118.70 118.76 1ilu s GLU 91 Ca 0.00 -1.33 -0.20 0.00 0.02 0.00 0.00 54.97 53.47 1ilu s GLU 91 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.76 1ilu s GLU 91 CO 0.00 -1.05 0.44 0.21 0.02 0.00 0.00 175.26 174.88 1ilu s LYS 92 N -4.85 0.92 0.26 1.61 2.47 -1.26 -3.23 119.74 115.66 1ilu s LYS 92 Ca 0.63 -0.26 -0.18 0.00 -1.56 0.00 0.00 55.97 54.60 1ilu s LYS 92 Cb -0.06 0.42 0.01 0.00 -1.46 0.00 0.00 37.83 36.74 1ilu s LYS 92 CO 0.41 -0.31 0.61 0.34 0.16 0.00 0.00 175.35 176.56 1ilu s ASP 93 N -1.84 -0.20 0.06 1.43 2.15 -0.56 -5.02 116.67 112.70 1ilu s ASP 93 Ca -0.07 -0.72 -0.11 0.00 0.43 0.00 0.00 52.55 52.08 1ilu s ASP 93 Cb -0.01 0.66 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 1ilu s ASP 93 CO -0.00 -1.25 0.23 -0.44 -0.17 0.00 0.00 175.17 173.54 1ilu s SER 94 N -2.96 0.01 -0.07 -0.34 0.01 -1.26 -0.11 113.70 108.98 1ilu s SER 94 Ca 0.15 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 1ilu s SER 94 Cb -0.04 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1ilu s SER 94 CO 0.07 -0.64 0.16 0.54 0.41 0.00 0.00 173.24 173.79 1ilu s VAL 95 N -3.03 -0.03 -0.12 3.43 0.11 -0.30 -4.88 120.40 115.59 1ilu s VAL 95 Ca -0.01 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1ilu s VAL 95 Cb 0.01 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1ilu s VAL 95 CO -0.06 0.04 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.67 1ilu s THR 96 N 0.68 2.56 0.16 5.04 2.01 -1.26 -0.85 115.64 123.99 1ilu s THR 96 Ca -0.05 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1ilu s THR 96 Cb -0.07 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1ilu s THR 96 CO -0.03 0.54 -0.11 0.72 -0.69 0.00 0.00 174.62 175.04 1ilu s PHE 97 N 0.40 1.35 -0.05 4.92 -0.12 0.70 -4.93 117.98 120.24 1ilu s PHE 97 Ca -0.14 -0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 55.72 1ilu s PHE 97 Cb -0.17 -0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 41.52 1ilu s PHE 97 CO 0.06 0.13 1.06 -0.51 -0.05 0.00 0.00 175.22 175.92 1ilu s ASP 98 N -3.18 7.22 0.24 1.98 1.01 -1.26 -0.91 116.67 121.77 1ilu s ASP 98 Ca 0.18 1.68 0.21 0.00 0.71 0.00 0.00 52.55 55.33 1ilu s ASP 98 Cb 0.02 -2.56 0.95 0.00 1.01 0.00 0.00 42.92 42.34 1ilu s ASP 98 CO 0.02 -0.42 1.65 0.52 0.21 0.00 0.00 175.17 177.14 1ilu n VAL 99 N 4.31 0.94 0.31 -1.27 0.31 -0.46 -2.02 118.33 120.45 1ilu n VAL 99 Ca 0.08 0.35 0.16 0.00 -0.01 0.00 0.00 64.34 64.93 1ilu n VAL 99 Cb 0.49 -1.29 0.71 0.00 -0.91 0.00 0.00 33.84 32.84 1ilu n VAL 99 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ilu h SER 100 N 0.00 0.00 0.14 4.52 0.87 -1.89 -2.60 113.55 114.59 1ilu h SER 100 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ilu h SER 100 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1ilu h SER 100 CO 0.00 0.00 -0.01 0.29 -0.53 0.00 0.00 176.83 176.58 1ilu n LYS 101 N -2.78 0.94 -4.08 2.24 5.02 -0.86 -4.73 118.16 113.92 1ilu n LYS 101 Ca 0.00 -0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 55.80 1ilu n LYS 101 Cb 0.22 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1ilu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ilu s LEU 102 N -2.16 4.02 0.09 -0.35 1.43 -0.98 -5.09 118.68 115.64 1ilu s LEU 102 Ca 0.41 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1ilu s LEU 102 Cb 0.21 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1ilu s LEU 102 CO 0.39 0.37 0.19 -0.75 0.23 0.00 0.00 176.35 176.79 1ilu s LYS 103 N -0.81 3.29 0.37 1.70 2.20 -1.26 -5.06 119.74 120.18 1ilu s LYS 103 Ca 0.13 -0.55 -0.26 0.00 -0.36 0.00 0.00 55.97 54.93 1ilu s LYS 103 Cb -0.12 -2.94 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1ilu s LYS 103 CO 0.03 0.58 1.15 -2.00 -0.36 0.00 0.00 175.35 174.74 1ilu s GLU 104 N -2.66 4.19 0.00 4.03 2.56 -1.26 -3.43 118.70 122.13 1ilu s GLU 104 Ca 0.33 1.81 0.00 0.00 0.00 0.00 0.00 54.97 57.12 1ilu s GLU 104 Cb -0.12 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.24 1ilu s GLU 104 CO 0.27 -0.19 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 1ilu n GLY 105 N 0.70 0.19 3.94 -1.50 0.00 -1.26 -5.00 105.19 102.26 1ilu n GLY 105 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.26 3.49 -0.19 1.61 2.12 -1.22 -5.08 118.70 118.17 1ilu s GLU 106 Ca 0.00 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.85 1ilu s GLU 106 Cb 0.00 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1ilu s GLU 106 CO 0.00 0.26 0.05 -0.65 -0.54 0.00 0.00 175.26 174.38 1ilu s GLN 107 N -4.01 3.90 0.10 4.30 -0.21 -1.26 -4.92 119.66 117.56 1ilu s GLN 107 Ca 0.39 -0.38 0.09 0.00 0.02 0.00 0.00 55.36 55.48 1ilu s GLN 107 Cb -0.10 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 1ilu s GLN 107 CO 0.33 0.21 -0.23 0.71 -2.12 0.00 0.00 175.29 174.19 1ilu s TYR 108 N 0.54 1.97 0.04 0.91 2.02 -1.26 -1.00 117.35 120.57 1ilu s TYR 108 Ca 0.02 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1ilu s TYR 108 Cb -0.13 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 1ilu s TYR 108 CO 0.01 0.23 -0.19 -1.64 -1.57 0.00 0.00 175.55 172.39 1ilu s MET 109 N -1.82 1.32 0.11 -0.62 -1.94 -0.02 -2.41 119.30 113.91 1ilu s MET 109 Ca 0.09 -0.87 0.10 0.00 -1.71 0.00 0.00 55.69 53.30 1ilu s MET 109 Cb -0.10 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 1ilu s MET 109 CO 0.04 0.36 -0.27 -1.54 -0.01 0.00 0.00 175.02 173.61 1ilu s SER 110 N -1.08 3.30 0.13 3.03 1.04 0.01 -1.56 113.70 118.58 1ilu s SER 110 Ca 0.06 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.54 1ilu s SER 110 Cb -0.08 -0.25 0.07 0.00 0.10 0.00 0.00 66.02 65.86 1ilu s SER 110 CO 0.01 0.20 1.00 0.72 0.98 0.00 0.00 173.24 176.15 1ilu s PHE 111 N -1.00 -0.12 -0.21 5.02 -0.71 -0.05 -0.76 117.98 120.16 1ilu s PHE 111 Ca 0.14 -0.16 -0.04 0.00 -1.04 0.00 0.00 56.93 55.82 1ilu s PHE 111 Cb -0.10 0.63 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 1ilu s PHE 111 CO 0.05 -0.77 -0.04 0.00 -1.34 0.00 0.00 175.22 173.12 1ilu n THR 113 N 4.59 0.02 -1.81 0.00 -2.24 -1.26 -2.49 114.28 111.09 1ilu n THR 113 Ca -0.18 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1ilu n THR 113 Cb 0.51 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.98 2.65 0.08 4.78 2.19 -1.26 -4.32 117.98 120.12 1ilu s PHE 114 Ca 0.40 1.07 -0.35 0.00 0.33 0.00 0.00 56.93 58.38 1ilu s PHE 114 Cb 0.19 -4.02 -0.14 0.00 -1.31 0.00 0.00 43.02 37.74 1ilu s PHE 114 CO 0.32 -3.12 1.60 -0.35 1.83 0.00 0.00 175.22 175.51 1ilu n PRO 115 N 0.98 1.94 0.00 10.12 -0.04 -1.26 -1.49 135.00 145.24 1ilu n PRO 115 Ca 0.03 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1ilu n PRO 115 Cb 0.39 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ilu n GLY 116 N 3.49 3.07 0.16 0.55 0.00 -1.26 -4.89 105.19 106.32 1ilu n GLY 116 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.48 -0.47 1.61 3.86 -1.50 -3.35 115.15 115.78 1ilu h HIS 117 Ca 0.00 -0.23 0.14 0.00 -1.16 0.00 0.00 60.37 59.12 1ilu h HIS 117 Cb 0.00 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1ilu h HIS 117 CO 0.00 0.99 0.42 0.66 0.86 0.00 0.00 177.93 180.86 1ilu h SER 118 N 0.22 0.00 1.42 2.45 4.64 -1.66 -0.61 113.55 120.01 1ilu h SER 118 Ca -0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1ilu h SER 118 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1ilu h SER 118 CO 0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.82 1ilu h ALA 119 N 1.60 0.88 0.00 5.18 0.00 -1.90 -3.35 119.26 121.67 1ilu h ALA 119 Ca 0.22 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1ilu h ALA 119 Cb 1.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1ilu h ALA 119 CO -0.00 0.33 -2.08 1.28 0.00 0.00 0.00 179.25 178.79 1ilu n LEU 120 N -3.24 2.38 -4.19 0.00 4.77 -1.00 -4.76 117.00 110.97 1ilu n LEU 120 Ca 0.02 -0.08 -0.44 0.00 -0.03 0.00 0.00 56.01 55.48 1ilu n LEU 120 Cb 0.57 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ilu n LEU 120 CO 0.36 0.73 1.26 0.23 -1.33 0.00 0.00 177.39 178.64 1ilu n MET 121 N -2.96 3.77 -3.87 3.23 2.81 -0.27 -4.79 117.12 115.05 1ilu n MET 121 Ca -0.32 -4.16 -0.11 0.00 -1.81 0.00 0.00 57.70 51.30 1ilu n MET 121 Cb 0.89 -2.73 -0.11 0.00 -0.71 0.00 0.00 33.22 30.56 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 -0.69 0.38 0.26 0.03 0.00 -1.26 -2.31 119.74 116.15 1ilu s LYS 122 Ca 0.35 -0.25 -0.18 0.00 0.00 0.00 0.00 55.97 55.89 1ilu s LYS 122 Cb -0.00 0.16 0.02 0.00 0.00 0.00 0.00 37.83 38.00 1ilu s LYS 122 CO 0.01 -0.08 0.62 0.20 0.00 0.00 0.00 175.35 176.10 1ilu s GLY 123 N -0.99 0.07 0.03 0.59 0.00 0.06 -4.84 107.32 102.25 1ilu s GLY 123 Ca -0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 1ilu s GLY 123 CO 0.01 -0.25 0.30 -0.51 0.00 0.00 0.00 173.10 172.65 1ilu s THR 124 N -3.94 5.25 -0.26 0.90 -4.23 -0.37 -0.81 115.64 112.19 1ilu s THR 124 Ca 0.14 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1ilu s THR 124 Cb -0.04 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.28 1ilu s THR 124 CO 0.06 0.33 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.17 1ilu s LEU 125 N -1.86 3.14 -0.39 4.79 0.20 -1.01 -0.55 118.68 123.00 1ilu s LEU 125 Ca 0.30 -1.36 -0.11 0.00 0.69 0.00 0.00 54.13 53.64 1ilu s LEU 125 Cb -0.13 -1.39 0.04 0.00 -0.43 0.00 0.00 46.19 44.28 1ilu s LEU 125 CO 0.17 -0.23 0.23 -0.89 -0.29 0.00 0.00 176.35 175.35 1ilu s THR 126 N 1.22 4.61 0.11 3.68 2.01 0.20 -4.11 115.64 123.35 1ilu s THR 126 Ca -0.06 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.69 1ilu s THR 126 Cb -0.19 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 1ilu s THR 126 CO -0.06 -0.30 1.28 -0.22 -0.69 0.00 0.00 174.62 174.63 1ilu s LEU 127 N 1.55 4.38 0.00 4.42 1.98 -1.26 -0.92 118.68 128.83 1ilu s LEU 127 Ca 0.02 2.20 0.00 0.00 -2.89 0.00 0.00 54.13 53.46 1ilu s LEU 127 Cb -0.20 -3.59 0.00 0.00 0.66 0.00 0.00 46.19 43.06 1ilu s LEU 127 CO 0.06 -0.53 0.38 2.29 -1.89 0.00 0.00 176.35 176.66